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 1xsj_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKISDGNWLI QPGLNLIHPL QVFEVEQQDN EMVVYAAPRD VRERTWQLDT DATA SEQUENCE PLFTLRFFSP QEGIVGVRIE HFQGALNNGP HYPLNILQDV KVTIENTERY DATA SEQUENCE AEFKSGNLSA RVSKGEFWSL DFLRNGERIT GSQVKNNGYV QDTNNQRNYM DATA SEQUENCE FERLDLGVGE TVYGLGERFT ALVRNGQTVE TWNRDGGTST EQAYKNIPFY DATA SEQUENCE MTNRGYGVLV NHPQCVSFEV GSEKVSKVQF SVESEYLEYF VIDGPTPKAV DATA SEQUENCE LDRYTRFTGR PALPPAWSFG LWLTTSFTTN YDEATVNSFI DGMAERNLPL DATA SEQUENCE HVFHFDCFWM KAFQWCDFEW DPLTFPDPEG MIRRLKAKGL KICVWINPYI DATA SEQUENCE GQKSPVFKEL QEKGYLLKRP DGSLWQWDKW QPGLAIYDFT NPDACKWYAD DATA SEQUENCE KLKGLVAMGV DCFKTDFGER IPTDVQWFDG SDPQKMHNHY AYIYNELVWN DATA SEQUENCE VLKDTVGEEE AVLFARSASV GAQKFPVHWG GDCYANYESM AESLRGGLSI DATA SEQUENCE GLSGFGFWSH DIGGFENTAP AHVYKRWCAF GLLSSHSRLH GSKSYRVPWA DATA SEQUENCE YDDESCDVVR FFTQLKCRMM PYLYREAARA NARGTPMMRA MMMEFPDDPA DATA SEQUENCE CDYLDRQYML GDNVMVAPVF TEAGDVQFYL PEGRWTHLWH NDELDGSRWH DATA SEQUENCE KQQHGFLSLP VYVRDNTLLA LGNNDQRPDY VWHEGTAFHL FNLQDGHEAV DATA SEQUENCE CEVPAADGSV IFTLKAARTG NTITVTGAGE AKNWTLCLRN VVKVNGLQDG DATA SEQUENCE SQAESEQGLV VKPQGNALTI TLH 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 0.000 176.157 176.300 -0.238 0.000 1.140 1 M CA 0.000 55.164 55.300 -0.226 0.000 0.988 1 M CB 0.000 32.389 32.600 -0.352 0.000 1.302 2 K N 5.032 125.304 120.400 -0.214 0.000 2.349 2 K HA 0.355 4.675 4.320 -0.000 0.000 0.288 2 K C 0.188 176.636 176.600 -0.254 0.000 1.058 2 K CA 0.165 56.332 56.287 -0.200 0.000 0.953 2 K CB 0.534 32.946 32.500 -0.147 0.000 0.997 2 K HN 0.685 nan 8.250 nan 0.000 0.477 3 I N 0.235 120.632 120.570 -0.288 0.000 3.136 3 I HA -0.102 4.068 4.170 -0.000 0.000 0.262 3 I C 1.023 176.996 176.117 -0.240 0.000 1.132 3 I CA 0.200 61.296 61.300 -0.340 0.000 1.450 3 I CB 0.064 37.723 38.000 -0.568 0.000 1.315 3 I HN 0.472 nan 8.210 nan 0.000 0.460 4 S N 0.305 115.878 115.700 -0.213 0.000 2.632 4 S HA 0.193 4.663 4.470 -0.000 0.000 0.267 4 S C -0.280 174.253 174.600 -0.113 0.000 1.276 4 S CA -0.465 57.648 58.200 -0.144 0.000 0.998 4 S CB 1.620 64.735 63.200 -0.142 0.000 0.953 4 S HN 0.216 nan 8.310 nan 0.000 0.547 5 D N 0.052 120.406 120.400 -0.077 0.000 2.441 5 D HA 0.487 5.127 4.640 -0.000 0.000 0.287 5 D C 0.698 176.978 176.300 -0.034 0.000 1.198 5 D CA 0.760 54.730 54.000 -0.050 0.000 0.894 5 D CB -0.119 40.665 40.800 -0.027 0.000 1.070 5 D HN 1.115 nan 8.370 nan 0.000 0.499 6 G N 2.779 111.541 108.800 -0.064 0.000 2.741 6 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.222 6 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.222 6 G C 0.823 175.616 174.900 -0.177 0.000 1.364 6 G CA 0.007 45.054 45.100 -0.088 0.000 0.866 6 G HN 0.474 nan 8.290 nan 0.000 0.555 7 N N -0.783 117.708 118.700 -0.349 0.000 2.244 7 N HA 0.001 4.741 4.740 -0.000 0.000 0.183 7 N C 1.935 177.106 175.510 -0.565 0.000 1.016 7 N CA 2.545 55.222 53.050 -0.622 0.000 0.866 7 N CB -0.124 37.724 38.487 -1.065 0.000 0.980 7 N HN 0.615 nan 8.380 nan 0.000 0.430 8 W N -0.295 120.993 121.300 -0.020 0.000 2.762 8 W HA 0.372 5.032 4.660 -0.000 0.000 0.265 8 W C 0.190 176.699 176.519 -0.017 0.000 1.263 8 W CA -0.561 56.775 57.345 -0.016 0.000 1.411 8 W CB 0.285 29.737 29.460 -0.014 0.000 1.065 8 W HN -0.117 nan 8.180 nan 0.000 0.609 9 L N -0.275 121.030 121.223 0.137 0.000 2.235 9 L HA 0.642 4.981 4.340 -0.000 0.000 0.260 9 L C -0.382 176.496 176.870 0.013 0.000 1.025 9 L CA -1.328 53.559 54.840 0.079 0.000 0.836 9 L CB 1.543 43.645 42.059 0.072 0.000 1.395 9 L HN -0.333 nan 8.230 nan 0.000 0.443 10 I N -0.165 120.405 120.570 0.001 0.000 2.608 10 I HA 0.237 4.407 4.170 -0.000 0.000 0.295 10 I C -0.476 175.615 176.117 -0.044 0.000 1.049 10 I CA -0.916 60.363 61.300 -0.034 0.000 1.063 10 I CB 1.949 39.935 38.000 -0.023 0.000 1.248 10 I HN 0.498 nan 8.210 nan 0.000 0.424 11 Q N 4.616 124.371 119.800 -0.074 0.000 2.310 11 Q HA 0.066 4.406 4.340 -0.000 0.000 0.315 11 Q C -2.266 173.701 176.000 -0.056 0.000 1.081 11 Q CA -1.009 54.750 55.803 -0.072 0.000 0.981 11 Q CB -0.124 28.552 28.738 -0.105 0.000 1.184 11 Q HN 0.224 nan 8.270 nan 0.000 0.389 12 P HA 0.049 nan 4.420 nan 0.000 0.268 12 P C 0.602 177.880 177.300 -0.036 0.000 1.205 12 P CA 0.784 63.865 63.100 -0.031 0.000 0.771 12 P CB 0.530 32.216 31.700 -0.024 0.000 0.858 13 G N 1.683 110.465 108.800 -0.029 0.000 2.195 13 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 13 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 13 G C -0.196 174.682 174.900 -0.036 0.000 0.984 13 G CA -0.458 44.626 45.100 -0.028 0.000 0.633 13 G HN 0.457 nan 8.290 nan 0.000 0.525 14 L N 1.445 122.638 121.223 -0.050 0.000 2.264 14 L HA 0.450 4.790 4.340 -0.000 0.000 0.289 14 L C -0.608 176.229 176.870 -0.054 0.000 1.044 14 L CA -0.849 53.952 54.840 -0.067 0.000 0.807 14 L CB 1.180 43.178 42.059 -0.102 0.000 1.192 14 L HN 0.030 nan 8.230 nan 0.000 0.425 15 N N 5.278 123.945 118.700 -0.054 0.000 2.444 15 N HA 0.512 5.252 4.740 -0.000 0.000 0.262 15 N C -0.792 174.683 175.510 -0.057 0.000 0.974 15 N CA -0.330 52.695 53.050 -0.041 0.000 0.933 15 N CB 2.169 40.641 38.487 -0.025 0.000 1.137 15 N HN 0.419 nan 8.380 nan 0.000 0.498 16 L N 2.977 124.165 121.223 -0.058 0.000 2.325 16 L HA 0.660 5.000 4.340 -0.000 0.000 0.278 16 L C 0.196 176.939 176.870 -0.212 0.000 1.023 16 L CA -1.097 53.675 54.840 -0.114 0.000 0.811 16 L CB 1.317 43.327 42.059 -0.081 0.000 1.249 16 L HN 0.428 nan 8.230 nan 0.000 0.431 17 I N -1.502 118.916 120.570 -0.253 0.000 2.647 17 I HA 0.579 4.749 4.170 -0.000 0.000 0.295 17 I C -1.054 174.903 176.117 -0.266 0.000 1.078 17 I CA -0.592 60.577 61.300 -0.218 0.000 1.048 17 I CB 2.339 40.342 38.000 0.004 0.000 1.239 17 I HN 0.464 nan 8.210 nan 0.000 0.421 18 H N 3.251 122.391 119.070 0.116 0.000 2.768 18 H HA 0.461 5.016 4.556 -0.000 0.000 0.371 18 H C -2.737 172.372 175.328 -0.364 0.000 1.151 18 H CA -2.038 53.874 56.048 -0.227 0.000 1.165 18 H CB 2.349 31.977 29.762 -0.222 0.000 1.722 18 H HN 0.427 nan 8.280 nan 0.000 0.543 19 P HA 0.093 nan 4.420 nan 0.000 0.270 19 P C 0.362 176.914 177.300 -1.245 0.000 1.242 19 P CA 0.142 62.738 63.100 -0.841 0.000 0.768 19 P CB 0.812 31.914 31.700 -0.997 0.000 0.820 20 L N 1.802 122.577 121.223 -0.748 0.000 2.993 20 L HA 0.288 4.628 4.340 -0.000 0.000 0.264 20 L C 0.905 177.703 176.870 -0.121 0.000 1.154 20 L CA 0.319 54.870 54.840 -0.481 0.000 0.972 20 L CB 0.596 42.549 42.059 -0.176 0.000 1.373 20 L HN 0.412 nan 8.230 nan 0.000 0.564 21 Q N 0.865 120.648 119.800 -0.029 0.000 2.313 21 Q HA 0.268 4.608 4.340 -0.000 0.000 0.260 21 Q C -1.389 174.834 176.000 0.372 0.000 0.972 21 Q CA -0.311 55.645 55.803 0.255 0.000 0.886 21 Q CB 3.083 31.908 28.738 0.145 0.000 1.373 21 Q HN -0.142 nan 8.270 nan 0.000 0.416 22 V N 5.517 125.721 119.914 0.482 0.000 2.493 22 V HA -0.005 4.114 4.120 -0.000 0.000 0.292 22 V C 0.539 176.828 176.094 0.325 0.000 1.016 22 V CA 0.882 63.428 62.300 0.410 0.000 1.097 22 V CB 0.122 32.109 31.823 0.273 0.000 0.947 22 V HN 0.809 nan 8.190 nan 0.000 0.479 23 F N 3.627 123.710 119.950 0.222 0.000 2.419 23 F HA 0.362 4.889 4.527 -0.000 0.000 0.283 23 F C 0.975 176.874 175.800 0.165 0.000 1.044 23 F CA 0.573 58.673 58.000 0.167 0.000 1.376 23 F CB 0.585 39.678 39.000 0.154 0.000 1.131 23 F HN 0.530 nan 8.300 nan 0.000 0.585 24 E N 0.391 120.670 120.200 0.131 0.000 2.343 24 E HA 0.510 4.860 4.350 -0.000 0.000 0.278 24 E C -1.936 174.807 176.600 0.238 0.000 0.910 24 E CA -0.775 55.642 56.400 0.030 0.000 0.757 24 E CB 2.478 32.183 29.700 0.008 0.000 1.218 24 E HN -0.109 nan 8.360 nan 0.000 0.435 25 V N 2.866 122.866 119.914 0.142 0.000 2.604 25 V HA 0.525 4.645 4.120 -0.000 0.000 0.305 25 V C -0.587 175.594 176.094 0.144 0.000 1.043 25 V CA -0.613 61.777 62.300 0.150 0.000 0.888 25 V CB 1.729 33.607 31.823 0.092 0.000 0.995 25 V HN 0.714 nan 8.190 nan 0.000 0.429 26 E N 2.761 123.055 120.200 0.157 0.000 2.308 26 E HA 0.403 4.753 4.350 -0.000 0.000 0.275 26 E C -1.233 175.437 176.600 0.117 0.000 0.890 26 E CA -0.662 55.825 56.400 0.144 0.000 0.754 26 E CB 2.229 32.056 29.700 0.213 0.000 1.207 26 E HN 0.739 nan 8.360 nan 0.000 0.426 27 Q N 3.226 123.087 119.800 0.101 0.000 2.296 27 Q HA 0.208 4.548 4.340 -0.000 0.000 0.257 27 Q C -1.137 174.917 176.000 0.089 0.000 0.942 27 Q CA -0.267 55.597 55.803 0.102 0.000 0.939 27 Q CB 1.031 29.824 28.738 0.092 0.000 1.198 27 Q HN 0.457 nan 8.270 nan 0.000 0.429 28 Q N 4.136 123.989 119.800 0.087 0.000 2.413 28 Q HA 0.165 4.505 4.340 -0.000 0.000 0.258 28 Q C -0.710 175.333 176.000 0.072 0.000 1.037 28 Q CA -0.613 55.230 55.803 0.067 0.000 0.764 28 Q CB 1.421 30.188 28.738 0.048 0.000 1.217 28 Q HN 0.889 nan 8.270 nan 0.000 0.490 29 D N 2.718 123.158 120.400 0.066 0.000 3.927 29 D HA -0.283 4.357 4.640 -0.000 0.000 0.142 29 D C 0.235 176.598 176.300 0.104 0.000 0.830 29 D CA 2.337 56.379 54.000 0.070 0.000 1.091 29 D CB -0.576 40.258 40.800 0.056 0.000 0.495 29 D HN 0.785 nan 8.370 nan 0.000 0.489 30 N N 1.654 120.432 118.700 0.129 0.000 2.376 30 N HA 0.116 4.855 4.740 -0.000 0.000 0.249 30 N C -0.702 175.009 175.510 0.336 0.000 1.140 30 N CA 0.095 53.266 53.050 0.200 0.000 0.870 30 N CB 0.058 38.646 38.487 0.169 0.000 1.124 30 N HN 0.516 nan 8.380 nan 0.000 0.505 31 E N 0.306 120.651 120.200 0.241 0.000 2.288 31 E HA 0.343 4.693 4.350 -0.000 0.000 0.268 31 E C -1.100 175.601 176.600 0.167 0.000 0.885 31 E CA -0.717 55.789 56.400 0.177 0.000 0.767 31 E CB 2.641 32.379 29.700 0.063 0.000 1.220 31 E HN 0.121 nan 8.360 nan 0.000 0.427 32 M N 2.927 122.603 119.600 0.126 0.000 2.181 32 M HA 0.340 4.820 4.480 -0.000 0.000 0.323 32 M C -1.677 174.726 176.300 0.171 0.000 1.004 32 M CA -0.782 54.631 55.300 0.188 0.000 0.941 32 M CB 1.204 33.967 32.600 0.271 0.000 1.579 32 M HN 0.257 nan 8.290 nan 0.000 0.427 33 V N 5.721 125.693 119.914 0.096 0.000 2.435 33 V HA 0.512 4.632 4.120 -0.000 0.000 0.290 33 V C -0.515 175.577 176.094 -0.003 0.000 1.030 33 V CA -0.697 61.589 62.300 -0.023 0.000 0.881 33 V CB 1.671 33.419 31.823 -0.125 0.000 0.983 33 V HN 0.641 nan 8.190 nan 0.000 0.445 34 V N 5.308 125.220 119.914 -0.004 0.000 2.444 34 V HA 0.439 4.559 4.120 -0.000 0.000 0.294 34 V C -1.045 175.048 176.094 -0.002 0.000 1.022 34 V CA -0.771 61.594 62.300 0.107 0.000 0.850 34 V CB 1.550 33.559 31.823 0.308 0.000 0.992 34 V HN 0.738 nan 8.190 nan 0.000 0.426 35 Y N 2.999 123.457 120.300 0.264 0.000 2.341 35 Y HA 0.687 5.237 4.550 -0.000 0.000 0.340 35 Y C 0.533 176.638 175.900 0.341 0.000 0.997 35 Y CA -0.361 57.910 58.100 0.285 0.000 1.149 35 Y CB 1.561 40.206 38.460 0.308 0.000 1.171 35 Y HN 0.700 nan 8.280 nan 0.000 0.494 36 A N 2.511 125.584 122.820 0.423 0.000 2.343 36 A HA 0.863 5.183 4.320 -0.000 0.000 0.308 36 A C -0.767 176.969 177.584 0.253 0.000 1.092 36 A CA -0.662 51.575 52.037 0.332 0.000 0.751 36 A CB 0.569 19.698 19.000 0.215 0.000 1.203 36 A HN 0.793 nan 8.150 nan 0.000 0.452 37 A N 3.498 126.427 122.820 0.181 0.000 2.304 37 A HA 0.796 5.116 4.320 -0.000 0.000 0.301 37 A C -1.979 175.642 177.584 0.062 0.000 1.132 37 A CA -1.708 50.394 52.037 0.108 0.000 0.819 37 A CB 0.518 19.563 19.000 0.075 0.000 1.094 37 A HN 0.553 nan 8.150 nan 0.000 0.492 38 P HA 0.126 nan 4.420 nan 0.000 0.256 38 P C -0.316 176.979 177.300 -0.008 0.000 1.384 38 P CA 0.268 63.401 63.100 0.053 0.000 0.879 38 P CB -0.260 31.500 31.700 0.099 0.000 1.403 39 R N -2.711 117.771 120.500 -0.030 0.000 2.741 39 R HA 0.387 4.727 4.340 -0.000 0.000 0.276 39 R C -1.439 174.817 176.300 -0.073 0.000 1.028 39 R CA -0.870 55.182 56.100 -0.080 0.000 0.865 39 R CB -0.449 29.775 30.300 -0.127 0.000 1.268 39 R HN -0.367 nan 8.270 nan 0.000 0.475 40 D N 1.524 121.843 120.400 -0.134 0.000 2.389 40 D HA 0.084 4.724 4.640 -0.000 0.000 0.263 40 D C 0.476 176.755 176.300 -0.034 0.000 1.255 40 D CA 0.029 53.975 54.000 -0.091 0.000 0.914 40 D CB 1.352 42.065 40.800 -0.147 0.000 1.116 40 D HN 0.496 nan 8.370 nan 0.000 0.502 41 V N 1.981 121.947 119.914 0.085 0.000 2.940 41 V HA 0.343 4.463 4.120 -0.000 0.000 0.366 41 V C 1.584 177.822 176.094 0.240 0.000 1.353 41 V CA -0.438 61.962 62.300 0.166 0.000 1.232 41 V CB -0.076 31.797 31.823 0.084 0.000 1.278 41 V HN 0.325 nan 8.190 nan 0.000 0.546 42 R N 0.861 121.479 120.500 0.198 0.000 2.115 42 R HA 0.113 4.453 4.340 -0.000 0.000 0.230 42 R C 0.532 176.945 176.300 0.188 0.000 1.111 42 R CA 1.084 57.293 56.100 0.183 0.000 0.976 42 R CB 0.192 30.561 30.300 0.116 0.000 0.870 42 R HN 0.688 nan 8.270 nan 0.000 0.445 43 E N 0.106 120.442 120.200 0.227 0.000 2.242 43 E HA 0.152 4.502 4.350 -0.000 0.000 0.275 43 E C 0.487 177.177 176.600 0.150 0.000 1.002 43 E CA -0.505 56.007 56.400 0.187 0.000 0.841 43 E CB 1.246 31.077 29.700 0.218 0.000 1.109 43 E HN 0.078 nan 8.360 nan 0.000 0.394 44 R N 0.766 121.309 120.500 0.071 0.000 2.120 44 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 44 R C 2.084 178.355 176.300 -0.048 0.000 1.123 44 R CA 1.305 57.422 56.100 0.030 0.000 0.975 44 R CB -0.505 29.803 30.300 0.013 0.000 0.866 44 R HN 0.506 nan 8.270 nan 0.000 0.446 45 T N -0.504 113.962 114.554 -0.146 0.000 2.929 45 T HA -0.134 4.216 4.350 -0.000 0.000 0.271 45 T C 0.886 175.292 174.700 -0.490 0.000 1.085 45 T CA 1.039 62.917 62.100 -0.369 0.000 1.125 45 T CB -0.120 68.436 68.868 -0.520 0.000 0.874 45 T HN 0.484 nan 8.240 nan 0.000 0.494 46 W N 0.967 122.261 121.300 -0.010 0.000 3.220 46 W HA 0.351 5.011 4.660 -0.000 0.000 0.328 46 W C 1.240 177.727 176.519 -0.053 0.000 1.205 46 W CA -0.715 56.616 57.345 -0.022 0.000 1.773 46 W CB 0.326 29.780 29.460 -0.010 0.000 1.086 46 W HN 0.178 nan 8.180 nan 0.000 0.622 47 Q N 1.853 121.702 119.800 0.081 0.000 2.938 47 Q HA 0.277 4.617 4.340 -0.000 0.000 0.343 47 Q C -0.573 175.392 176.000 -0.059 0.000 1.185 47 Q CA 0.138 55.921 55.803 -0.033 0.000 0.939 47 Q CB -0.540 28.162 28.738 -0.060 0.000 1.480 47 Q HN 0.262 nan 8.270 nan 0.000 0.442 48 L N -5.368 115.846 121.223 -0.016 0.000 2.947 48 L HA 0.443 4.783 4.340 -0.000 0.000 0.267 48 L C -1.132 175.748 176.870 0.018 0.000 1.004 48 L CA -1.202 53.623 54.840 -0.025 0.000 0.937 48 L CB 1.028 43.062 42.059 -0.041 0.000 1.496 48 L HN -0.163 nan 8.230 nan 0.000 0.409 49 D N -0.077 120.328 120.400 0.009 0.000 2.689 49 D HA -0.145 4.495 4.640 -0.000 0.000 0.237 49 D C -0.207 176.124 176.300 0.052 0.000 1.148 49 D CA 1.823 55.844 54.000 0.034 0.000 0.656 49 D CB -0.662 40.168 40.800 0.050 0.000 1.050 49 D HN 1.009 nan 8.370 nan 0.000 0.426 50 T N -1.173 113.394 114.554 0.022 0.000 2.932 50 T HA 0.528 4.877 4.350 -0.000 0.000 0.318 50 T C -2.569 172.117 174.700 -0.023 0.000 1.265 50 T CA -1.315 60.791 62.100 0.009 0.000 1.036 50 T CB 1.738 70.616 68.868 0.017 0.000 1.209 50 T HN -0.244 nan 8.240 nan 0.000 0.484 51 P HA 0.479 nan 4.420 nan 0.000 0.271 51 P C -1.221 175.996 177.300 -0.138 0.000 1.233 51 P CA -0.741 62.295 63.100 -0.107 0.000 0.789 51 P CB 0.430 31.998 31.700 -0.219 0.000 0.951 52 L N 1.163 122.277 121.223 -0.183 0.000 2.493 52 L HA 0.431 4.771 4.340 -0.000 0.000 0.265 52 L C -1.168 175.604 176.870 -0.163 0.000 0.954 52 L CA -0.724 54.057 54.840 -0.098 0.000 0.844 52 L CB 1.352 43.407 42.059 -0.007 0.000 1.302 52 L HN 0.297 nan 8.230 nan 0.000 0.405 53 F N 1.355 121.340 119.950 0.058 0.000 2.375 53 F HA 0.398 4.925 4.527 -0.000 0.000 0.333 53 F C 0.690 176.545 175.800 0.092 0.000 1.104 53 F CA -0.111 57.921 58.000 0.053 0.000 1.149 53 F CB 1.848 40.846 39.000 -0.003 0.000 1.190 53 F HN 0.277 nan 8.300 nan 0.000 0.533 54 T N 4.601 119.300 114.554 0.242 0.000 2.864 54 T HA 0.539 4.889 4.350 -0.000 0.000 0.310 54 T C -0.701 173.996 174.700 -0.005 0.000 1.040 54 T CA -0.515 61.609 62.100 0.041 0.000 0.977 54 T CB 0.430 69.314 68.868 0.027 0.000 0.976 54 T HN 0.127 nan 8.240 nan 0.000 0.459 55 L N 3.055 124.241 121.223 -0.060 0.000 2.322 55 L HA 0.662 5.001 4.340 -0.000 0.000 0.279 55 L C 0.334 177.031 176.870 -0.288 0.000 1.036 55 L CA -0.540 54.202 54.840 -0.163 0.000 0.807 55 L CB 1.323 43.335 42.059 -0.079 0.000 1.226 55 L HN 0.442 nan 8.230 nan 0.000 0.433 56 R N 2.256 122.495 120.500 -0.434 0.000 2.513 56 R HA 0.629 4.968 4.340 -0.000 0.000 0.301 56 R C -1.748 174.261 176.300 -0.484 0.000 0.968 56 R CA -0.461 55.444 56.100 -0.325 0.000 0.872 56 R CB 0.975 31.145 30.300 -0.215 0.000 1.177 56 R HN 0.400 nan 8.270 nan 0.000 0.444 57 F N 5.683 125.548 119.950 -0.141 0.000 2.469 57 F HA 0.585 5.112 4.527 -0.000 0.000 0.332 57 F C -0.348 175.019 175.800 -0.722 0.000 1.103 57 F CA -0.644 57.095 58.000 -0.435 0.000 0.979 57 F CB 1.461 40.129 39.000 -0.554 0.000 1.137 57 F HN 0.437 nan 8.300 nan 0.000 0.463 58 F N -0.435 119.056 119.950 -0.764 0.000 2.713 58 F HA 0.698 5.225 4.527 -0.000 0.000 0.311 58 F C -1.127 174.671 175.800 -0.004 0.000 1.141 58 F CA -1.429 56.302 58.000 -0.449 0.000 0.939 58 F CB 1.495 40.400 39.000 -0.160 0.000 1.325 58 F HN 0.279 nan 8.300 nan 0.000 0.453 59 S N 1.804 117.700 115.700 0.326 0.000 2.707 59 S HA 0.576 5.046 4.470 -0.000 0.000 0.303 59 S C -2.256 172.442 174.600 0.164 0.000 1.132 59 S CA -1.363 56.971 58.200 0.223 0.000 1.046 59 S CB 1.556 64.958 63.200 0.337 0.000 1.004 59 S HN 0.600 nan 8.310 nan 0.000 0.483 60 P HA 0.191 nan 4.420 nan 0.000 0.239 60 P C -0.446 176.798 177.300 -0.093 0.000 1.188 60 P CA 0.455 63.567 63.100 0.020 0.000 0.794 60 P CB 0.337 32.015 31.700 -0.038 0.000 0.937 61 Q N -0.747 118.940 119.800 -0.188 0.000 2.522 61 Q HA 0.177 4.517 4.340 -0.000 0.000 0.285 61 Q C -0.595 175.327 176.000 -0.129 0.000 0.982 61 Q CA -0.645 55.056 55.803 -0.170 0.000 0.805 61 Q CB 1.613 30.190 28.738 -0.269 0.000 1.457 61 Q HN -0.014 nan 8.270 nan 0.000 0.394 62 E N 0.253 120.400 120.200 -0.088 0.000 2.480 62 E HA 0.126 4.476 4.350 -0.000 0.000 0.258 62 E C 0.596 177.150 176.600 -0.077 0.000 0.984 62 E CA 1.633 57.992 56.400 -0.068 0.000 0.930 62 E CB 0.227 29.893 29.700 -0.056 0.000 0.936 62 E HN 0.804 nan 8.360 nan 0.000 0.466 63 G N 4.281 113.048 108.800 -0.056 0.000 2.159 63 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.256 63 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.256 63 G C 0.308 175.182 174.900 -0.044 0.000 0.977 63 G CA 0.352 45.428 45.100 -0.039 0.000 0.652 63 G HN 0.523 nan 8.290 nan 0.000 0.531 64 I N 0.783 121.302 120.570 -0.086 0.000 2.406 64 I HA 0.510 4.680 4.170 -0.000 0.000 0.290 64 I C -0.113 175.993 176.117 -0.018 0.000 0.999 64 I CA -1.150 60.080 61.300 -0.117 0.000 1.124 64 I CB 2.127 39.888 38.000 -0.399 0.000 1.289 64 I HN -0.133 nan 8.210 nan 0.000 0.441 65 V N 5.244 125.195 119.914 0.061 0.000 2.357 65 V HA 0.488 4.608 4.120 -0.000 0.000 0.284 65 V C 0.636 176.688 176.094 -0.070 0.000 1.018 65 V CA -0.558 61.802 62.300 0.100 0.000 0.841 65 V CB 1.547 33.541 31.823 0.284 0.000 0.991 65 V HN 0.889 nan 8.190 nan 0.000 0.437 66 G N 3.677 112.197 108.800 -0.466 0.000 2.390 66 G HA2 0.529 4.489 3.960 -0.000 0.000 0.270 66 G HA3 0.529 4.489 3.960 -0.000 0.000 0.270 66 G C -0.781 173.585 174.900 -0.890 0.000 1.211 66 G CA -0.235 44.175 45.100 -1.149 0.000 0.842 66 G HN 0.565 nan 8.290 nan 0.000 0.519 67 V N 2.742 122.183 119.914 -0.789 0.000 2.444 67 V HA 0.532 4.652 4.120 -0.000 0.000 0.294 67 V C 0.107 175.914 176.094 -0.480 0.000 1.022 67 V CA -0.884 61.002 62.300 -0.690 0.000 0.850 67 V CB 1.533 32.852 31.823 -0.839 0.000 0.992 67 V HN 0.844 nan 8.190 nan 0.000 0.426 68 R N 5.214 125.542 120.500 -0.287 0.000 2.439 68 R HA 0.719 5.059 4.340 -0.000 0.000 0.310 68 R C -1.597 174.658 176.300 -0.076 0.000 0.955 68 R CA -0.564 55.498 56.100 -0.063 0.000 0.853 68 R CB 1.302 31.602 30.300 -0.000 0.000 1.171 68 R HN 0.733 nan 8.270 nan 0.000 0.449 69 I N 4.740 125.354 120.570 0.073 0.000 2.382 69 I HA 0.290 4.459 4.170 -0.000 0.000 0.286 69 I C -0.297 175.966 176.117 0.243 0.000 1.002 69 I CA -0.492 60.872 61.300 0.107 0.000 1.135 69 I CB 1.752 39.801 38.000 0.083 0.000 1.288 69 I HN 0.663 nan 8.210 nan 0.000 0.448 70 E N 6.153 126.505 120.200 0.253 0.000 2.343 70 E HA 0.390 4.740 4.350 -0.000 0.000 0.270 70 E C -0.914 175.829 176.600 0.238 0.000 0.895 70 E CA -0.642 55.926 56.400 0.279 0.000 0.767 70 E CB 2.559 32.388 29.700 0.215 0.000 1.248 70 E HN 0.680 nan 8.360 nan 0.000 0.440 71 H N 2.353 121.423 119.070 -0.001 0.000 2.587 71 H HA 0.229 4.784 4.556 -0.000 0.000 0.312 71 H C -0.366 174.899 175.328 -0.106 0.000 1.314 71 H CA -0.191 55.651 56.048 -0.344 0.000 1.962 71 H CB 0.271 29.515 29.762 -0.864 0.000 1.536 71 H HN 0.395 nan 8.280 nan 0.000 0.619 72 F N 1.812 121.535 119.950 -0.379 0.000 2.384 72 F HA 0.217 4.743 4.527 -0.000 0.000 0.338 72 F C 1.293 177.032 175.800 -0.101 0.000 1.103 72 F CA -0.239 57.560 58.000 -0.335 0.000 1.157 72 F CB 1.496 40.324 39.000 -0.285 0.000 1.167 72 F HN 0.420 nan 8.300 nan 0.000 0.529 73 Q N 1.249 121.107 119.800 0.097 0.000 2.319 73 Q HA 0.142 4.482 4.340 -0.000 0.000 0.209 73 Q C 1.906 177.918 176.000 0.019 0.000 0.884 73 Q CA 0.264 56.092 55.803 0.042 0.000 0.938 73 Q CB 0.466 29.203 28.738 -0.001 0.000 1.098 73 Q HN 1.006 nan 8.270 nan 0.000 0.517 74 G N 0.555 109.353 108.800 -0.003 0.000 2.744 74 G HA2 0.133 4.093 3.960 -0.000 0.000 0.211 74 G HA3 0.133 4.093 3.960 -0.000 0.000 0.211 74 G C 0.530 175.443 174.900 0.022 0.000 1.143 74 G CA 0.356 45.438 45.100 -0.030 0.000 0.788 74 G HN 0.336 nan 8.290 nan 0.000 0.534 75 A N -0.072 122.800 122.820 0.086 0.000 2.466 75 A HA 0.454 4.774 4.320 -0.000 0.000 0.238 75 A C 1.580 179.219 177.584 0.091 0.000 1.074 75 A CA -0.418 51.686 52.037 0.113 0.000 0.774 75 A CB 0.408 19.516 19.000 0.179 0.000 1.015 75 A HN 0.195 nan 8.150 nan 0.000 0.498 76 L N 1.011 122.285 121.223 0.086 0.000 2.013 76 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 76 L C 0.661 177.589 176.870 0.096 0.000 1.073 76 L CA 1.850 56.736 54.840 0.076 0.000 0.753 76 L CB -0.816 41.284 42.059 0.069 0.000 0.890 76 L HN 0.957 nan 8.230 nan 0.000 0.432 77 N N 1.028 119.809 118.700 0.136 0.000 2.650 77 N HA -0.179 4.561 4.740 -0.000 0.000 0.272 77 N C -0.558 175.039 175.510 0.145 0.000 1.058 77 N CA -0.184 52.974 53.050 0.179 0.000 0.765 77 N CB -1.032 37.582 38.487 0.211 0.000 0.902 77 N HN 0.377 nan 8.380 nan 0.000 0.551 78 N N 0.340 119.096 118.700 0.094 0.000 2.493 78 N HA 0.344 5.084 4.740 -0.000 0.000 0.275 78 N C 1.107 176.557 175.510 -0.101 0.000 1.186 78 N CA 0.059 53.132 53.050 0.039 0.000 0.978 78 N CB 0.773 39.279 38.487 0.031 0.000 1.184 78 N HN 0.393 nan 8.380 nan 0.000 0.487 79 G N 0.410 109.079 108.800 -0.220 0.000 2.570 79 G HA2 0.235 4.195 3.960 -0.000 0.000 0.276 79 G HA3 0.235 4.195 3.960 -0.000 0.000 0.276 79 G C -2.300 172.396 174.900 -0.340 0.000 1.346 79 G CA -0.480 44.273 45.100 -0.580 0.000 1.034 79 G HN 0.355 nan 8.290 nan 0.000 0.512 80 P HA 0.246 nan 4.420 nan 0.000 0.278 80 P C -0.910 175.950 177.300 -0.733 0.000 1.266 80 P CA -0.216 62.595 63.100 -0.481 0.000 0.807 80 P CB 1.183 32.651 31.700 -0.388 0.000 1.094 81 H N -0.987 117.890 119.070 -0.323 0.000 2.670 81 H HA 0.298 4.854 4.556 -0.000 0.000 0.361 81 H C 0.009 175.127 175.328 -0.351 0.000 1.169 81 H CA -0.296 55.576 56.048 -0.294 0.000 1.198 81 H CB 0.337 30.018 29.762 -0.135 0.000 1.700 81 H HN 0.344 nan 8.280 nan 0.000 0.542 82 Y N 1.807 122.032 120.300 -0.126 0.000 2.578 82 Y HA 0.026 4.576 4.550 -0.000 0.000 0.339 82 Y C -1.431 174.328 175.900 -0.235 0.000 1.231 82 Y CA -1.913 56.057 58.100 -0.216 0.000 1.461 82 Y CB -0.041 38.326 38.460 -0.154 0.000 1.323 82 Y HN 0.336 nan 8.280 nan 0.000 0.590 83 P HA 0.089 nan 4.420 nan 0.000 0.225 83 P C -0.839 176.313 177.300 -0.248 0.000 1.813 83 P CA -0.060 62.926 63.100 -0.190 0.000 1.013 83 P CB -0.188 31.327 31.700 -0.308 0.000 1.961 84 L N 2.347 123.427 121.223 -0.238 0.000 2.350 84 L HA 0.252 4.592 4.340 -0.000 0.000 0.275 84 L C 0.888 177.641 176.870 -0.194 0.000 1.099 84 L CA 0.102 54.705 54.840 -0.396 0.000 0.808 84 L CB 0.019 41.836 42.059 -0.404 0.000 1.149 84 L HN 0.101 nan 8.230 nan 0.000 0.442 85 N N 4.548 123.150 118.700 -0.164 0.000 2.521 85 N HA 0.284 5.023 4.740 -0.000 0.000 0.236 85 N C -0.512 175.065 175.510 0.111 0.000 1.067 85 N CA -0.009 53.032 53.050 -0.014 0.000 0.939 85 N CB 0.569 39.040 38.487 -0.028 0.000 1.201 85 N HN 0.424 nan 8.380 nan 0.000 0.511 86 I N 2.968 123.593 120.570 0.092 0.000 2.321 86 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 86 I C 0.386 176.551 176.117 0.080 0.000 0.998 86 I CA -0.573 60.806 61.300 0.132 0.000 1.227 86 I CB 1.061 39.151 38.000 0.150 0.000 1.368 86 I HN 0.108 nan 8.210 nan 0.000 0.466 87 L N 6.036 127.301 121.223 0.071 0.000 2.375 87 L HA 0.279 4.619 4.340 -0.000 0.000 0.271 87 L C 1.038 177.948 176.870 0.067 0.000 1.107 87 L CA -0.610 54.260 54.840 0.050 0.000 0.806 87 L CB 0.924 42.999 42.059 0.027 0.000 1.146 87 L HN 0.603 nan 8.230 nan 0.000 0.447 88 Q N 0.280 120.111 119.800 0.052 0.000 2.297 88 Q HA 0.039 4.379 4.340 -0.000 0.000 0.203 88 Q C 0.010 176.045 176.000 0.058 0.000 0.931 88 Q CA 0.952 56.789 55.803 0.056 0.000 0.885 88 Q CB 0.367 29.128 28.738 0.039 0.000 0.991 88 Q HN 0.574 nan 8.270 nan 0.000 0.498 89 D N 0.628 121.054 120.400 0.044 0.000 2.772 89 D HA 0.135 4.775 4.640 -0.000 0.000 0.272 89 D C -0.471 175.850 176.300 0.034 0.000 1.314 89 D CA -0.143 53.881 54.000 0.040 0.000 0.835 89 D CB 1.008 41.824 40.800 0.026 0.000 1.080 89 D HN -0.128 nan 8.370 nan 0.000 0.482 90 V N 1.321 121.264 119.914 0.047 0.000 2.599 90 V HA -0.075 4.044 4.120 -0.000 0.000 0.300 90 V C 1.025 177.131 176.094 0.020 0.000 1.034 90 V CA 0.030 62.349 62.300 0.031 0.000 1.115 90 V CB 0.788 32.640 31.823 0.048 0.000 0.934 90 V HN 0.037 nan 8.190 nan 0.000 0.485 91 K N 4.566 124.960 120.400 -0.010 0.000 2.383 91 K HA 0.408 4.728 4.320 -0.000 0.000 0.286 91 K C -0.456 176.100 176.600 -0.073 0.000 1.051 91 K CA -0.220 56.049 56.287 -0.031 0.000 0.974 91 K CB 0.761 33.239 32.500 -0.037 0.000 0.968 91 K HN 0.664 nan 8.250 nan 0.000 0.475 92 V N 0.305 120.159 119.914 -0.100 0.000 3.141 92 V HA 0.620 4.740 4.120 -0.000 0.000 0.312 92 V C -0.683 175.275 176.094 -0.228 0.000 1.157 92 V CA -0.768 61.383 62.300 -0.249 0.000 1.041 92 V CB 2.074 33.667 31.823 -0.382 0.000 1.071 92 V HN 0.650 nan 8.190 nan 0.000 0.441 93 T N 2.766 117.122 114.554 -0.329 0.000 2.848 93 T HA 0.721 5.071 4.350 -0.000 0.000 0.285 93 T C -0.643 173.911 174.700 -0.243 0.000 0.995 93 T CA -0.069 61.901 62.100 -0.217 0.000 0.970 93 T CB 1.011 69.774 68.868 -0.176 0.000 0.976 93 T HN 0.664 nan 8.240 nan 0.000 0.441 94 I N 2.820 123.328 120.570 -0.103 0.000 2.410 94 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 94 I C 0.008 176.117 176.117 -0.013 0.000 1.009 94 I CA -0.586 60.702 61.300 -0.019 0.000 1.111 94 I CB 1.798 39.854 38.000 0.094 0.000 1.262 94 I HN 0.520 nan 8.210 nan 0.000 0.443 95 E N 5.657 125.845 120.200 -0.020 0.000 2.155 95 E HA 0.280 4.630 4.350 -0.000 0.000 0.264 95 E C -1.083 175.521 176.600 0.006 0.000 0.886 95 E CA -0.647 55.745 56.400 -0.013 0.000 0.752 95 E CB 1.178 30.859 29.700 -0.031 0.000 1.133 95 E HN 0.475 nan 8.360 nan 0.000 0.414 96 N N 3.521 122.231 118.700 0.016 0.000 2.564 96 N HA 0.208 4.948 4.740 -0.000 0.000 0.248 96 N C -1.102 174.417 175.510 0.016 0.000 0.986 96 N CA -0.208 52.855 53.050 0.021 0.000 0.921 96 N CB 1.150 39.654 38.487 0.028 0.000 1.136 96 N HN 0.491 nan 8.380 nan 0.000 0.509 97 T N -0.044 114.522 114.554 0.020 0.000 2.804 97 T HA 0.375 4.724 4.350 -0.000 0.000 0.272 97 T C 0.987 175.670 174.700 -0.028 0.000 0.986 97 T CA -0.401 61.702 62.100 0.004 0.000 0.999 97 T CB 1.067 69.950 68.868 0.025 0.000 1.307 97 T HN 0.197 nan 8.240 nan 0.000 0.586 98 E N -0.012 120.157 120.200 -0.051 0.000 2.072 98 E HA -0.013 4.336 4.350 -0.000 0.000 0.191 98 E C 2.284 178.800 176.600 -0.141 0.000 0.985 98 E CA 1.375 57.729 56.400 -0.077 0.000 0.801 98 E CB -0.101 29.558 29.700 -0.067 0.000 0.750 98 E HN 0.593 nan 8.360 nan 0.000 0.452 99 R N -1.905 118.446 120.500 -0.248 0.000 2.100 99 R HA 0.098 4.438 4.340 -0.000 0.000 0.220 99 R C 0.022 175.948 176.300 -0.623 0.000 1.091 99 R CA 0.641 56.418 56.100 -0.539 0.000 0.986 99 R CB 0.314 30.092 30.300 -0.870 0.000 0.888 99 R HN 0.141 nan 8.270 nan 0.000 0.444 100 Y N -1.883 118.378 120.300 -0.066 0.000 2.615 100 Y HA 0.593 5.143 4.550 -0.000 0.000 0.341 100 Y C -0.749 175.091 175.900 -0.101 0.000 1.089 100 Y CA -1.520 56.518 58.100 -0.105 0.000 1.049 100 Y CB 1.891 40.277 38.460 -0.122 0.000 1.296 100 Y HN -0.166 nan 8.280 nan 0.000 0.470 101 A N 1.350 124.201 122.820 0.052 0.000 2.343 101 A HA 0.699 5.019 4.320 -0.000 0.000 0.316 101 A C -1.281 176.228 177.584 -0.125 0.000 1.104 101 A CA -0.593 51.429 52.037 -0.025 0.000 0.768 101 A CB 1.395 20.373 19.000 -0.037 0.000 1.213 101 A HN 0.755 nan 8.150 nan 0.000 0.456 102 E N 1.843 121.979 120.200 -0.107 0.000 2.246 102 E HA 0.561 4.911 4.350 -0.000 0.000 0.266 102 E C -2.016 174.532 176.600 -0.087 0.000 0.880 102 E CA -0.426 55.874 56.400 -0.165 0.000 0.762 102 E CB 1.281 30.878 29.700 -0.171 0.000 1.180 102 E HN 0.541 nan 8.360 nan 0.000 0.416 103 F N 4.300 124.090 119.950 -0.266 0.000 2.444 103 F HA 0.526 5.053 4.527 -0.000 0.000 0.342 103 F C -0.974 174.760 175.800 -0.110 0.000 1.121 103 F CA -0.555 57.355 58.000 -0.151 0.000 0.997 103 F CB 1.111 40.037 39.000 -0.123 0.000 1.130 103 F HN 0.317 nan 8.300 nan 0.000 0.454 104 K N 4.065 124.063 120.400 -0.670 0.000 2.427 104 K HA 0.593 4.913 4.320 -0.000 0.000 0.252 104 K C -1.679 174.615 176.600 -0.511 0.000 0.931 104 K CA -0.676 55.361 56.287 -0.417 0.000 0.793 104 K CB 1.906 34.253 32.500 -0.255 0.000 1.211 104 K HN 0.603 nan 8.250 nan 0.000 0.426 105 S N 2.723 118.272 115.700 -0.252 0.000 2.672 105 S HA 0.613 5.083 4.470 -0.000 0.000 0.291 105 S C 0.210 174.756 174.600 -0.090 0.000 1.145 105 S CA 0.504 58.604 58.200 -0.166 0.000 1.013 105 S CB 0.893 64.058 63.200 -0.059 0.000 1.017 105 S HN 1.083 nan 8.310 nan 0.000 0.487 106 G N 5.307 114.054 108.800 -0.088 0.000 2.591 106 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.298 106 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.298 106 G C 0.457 175.320 174.900 -0.061 0.000 1.195 106 G CA 0.550 45.612 45.100 -0.063 0.000 0.989 106 G HN 0.712 nan 8.290 nan 0.000 0.551 107 N N 0.324 118.998 118.700 -0.042 0.000 2.336 107 N HA 0.221 4.961 4.740 -0.000 0.000 0.189 107 N C 0.325 175.817 175.510 -0.030 0.000 1.113 107 N CA 0.419 53.447 53.050 -0.037 0.000 0.858 107 N CB 0.397 38.870 38.487 -0.023 0.000 0.970 107 N HN 0.461 nan 8.380 nan 0.000 0.471 108 L N 0.978 122.188 121.223 -0.021 0.000 2.322 108 L HA 0.450 4.790 4.340 -0.000 0.000 0.281 108 L C -0.101 176.777 176.870 0.013 0.000 1.014 108 L CA -0.497 54.352 54.840 0.014 0.000 0.815 108 L CB 1.481 43.567 42.059 0.046 0.000 1.247 108 L HN 0.003 nan 8.230 nan 0.000 0.421 109 S N 3.776 119.487 115.700 0.019 0.000 2.599 109 S HA 0.963 5.433 4.470 -0.000 0.000 0.287 109 S C -0.723 173.881 174.600 0.006 0.000 1.105 109 S CA -0.394 57.801 58.200 -0.008 0.000 0.899 109 S CB 1.746 64.880 63.200 -0.110 0.000 1.100 109 S HN 1.042 nan 8.310 nan 0.000 0.482 110 A N 1.800 124.584 122.820 -0.060 0.000 2.288 110 A HA 0.796 5.116 4.320 -0.000 0.000 0.320 110 A C -0.142 177.147 177.584 -0.492 0.000 1.217 110 A CA -0.810 51.009 52.037 -0.363 0.000 0.840 110 A CB 0.738 19.571 19.000 -0.278 0.000 1.179 110 A HN 0.874 nan 8.150 nan 0.000 0.504 111 R N 2.644 122.815 120.500 -0.548 0.000 2.513 111 R HA 0.590 4.930 4.340 -0.000 0.000 0.301 111 R C -1.802 174.205 176.300 -0.488 0.000 0.968 111 R CA -0.355 55.457 56.100 -0.479 0.000 0.872 111 R CB 1.680 31.696 30.300 -0.474 0.000 1.177 111 R HN 0.489 nan 8.270 nan 0.000 0.444 112 V N 3.133 122.784 119.914 -0.438 0.000 2.427 112 V HA 0.292 4.412 4.120 -0.000 0.000 0.286 112 V C -0.023 175.923 176.094 -0.248 0.000 1.034 112 V CA -0.626 61.387 62.300 -0.479 0.000 0.893 112 V CB 1.774 33.298 31.823 -0.499 0.000 0.982 112 V HN 0.784 nan 8.190 nan 0.000 0.452 113 S N 4.979 120.517 115.700 -0.270 0.000 2.499 113 S HA 0.325 4.795 4.470 -0.000 0.000 0.275 113 S C 0.147 174.686 174.600 -0.101 0.000 1.257 113 S CA -0.589 57.576 58.200 -0.058 0.000 1.050 113 S CB 0.353 63.547 63.200 -0.010 0.000 0.937 113 S HN 0.623 nan 8.310 nan 0.000 0.490 114 K N 1.730 122.090 120.400 -0.068 0.000 2.102 114 K HA 0.598 4.917 4.320 -0.000 0.000 0.244 114 K C 1.018 177.622 176.600 0.007 0.000 1.021 114 K CA -0.036 56.245 56.287 -0.010 0.000 0.913 114 K CB 0.415 32.890 32.500 -0.041 0.000 1.062 114 K HN 0.839 nan 8.250 nan 0.000 0.485 115 G N 0.862 109.681 108.800 0.031 0.000 2.527 115 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.227 115 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.227 115 G C 0.172 175.041 174.900 -0.052 0.000 1.291 115 G CA -0.315 44.779 45.100 -0.010 0.000 0.904 115 G HN 0.550 nan 8.290 nan 0.000 0.577 116 E N -0.096 119.964 120.200 -0.233 0.000 2.427 116 E HA 0.205 4.554 4.350 -0.000 0.000 0.196 116 E C 0.621 176.837 176.600 -0.640 0.000 1.028 116 E CA 0.652 56.752 56.400 -0.500 0.000 0.864 116 E CB -0.094 29.145 29.700 -0.767 0.000 0.813 116 E HN 0.329 nan 8.360 nan 0.000 0.514 117 F N 0.485 120.487 119.950 0.086 0.000 2.366 117 F HA 0.181 4.708 4.527 -0.000 0.000 0.357 117 F C 0.274 176.150 175.800 0.127 0.000 1.107 117 F CA -1.370 56.688 58.000 0.097 0.000 1.208 117 F CB 0.153 39.182 39.000 0.049 0.000 1.464 117 F HN -0.061 nan 8.300 nan 0.000 0.501 118 W N 3.992 125.354 121.300 0.104 0.000 2.257 118 W HA 0.366 5.025 4.660 -0.000 0.000 0.337 118 W C -0.346 176.220 176.519 0.078 0.000 1.321 118 W CA 0.394 57.783 57.345 0.073 0.000 1.267 118 W CB 1.102 30.584 29.460 0.038 0.000 1.187 118 W HN 0.511 nan 8.180 nan 0.000 0.565 119 S N 6.630 121.964 115.700 -0.609 0.000 2.547 119 S HA 0.613 5.083 4.470 -0.000 0.000 0.270 119 S C -1.813 172.370 174.600 -0.694 0.000 1.150 119 S CA -1.127 56.808 58.200 -0.441 0.000 0.850 119 S CB 1.891 65.014 63.200 -0.130 0.000 1.118 119 S HN 0.636 nan 8.310 nan 0.000 0.461 120 L N 2.449 123.435 121.223 -0.395 0.000 2.343 120 L HA 0.615 4.955 4.340 -0.000 0.000 0.278 120 L C -1.715 174.940 176.870 -0.359 0.000 0.996 120 L CA -0.335 54.270 54.840 -0.392 0.000 0.831 120 L CB 1.193 43.164 42.059 -0.147 0.000 1.232 120 L HN 0.841 nan 8.230 nan 0.000 0.413 121 D N 4.888 124.992 120.400 -0.494 0.000 2.498 121 D HA 0.385 5.025 4.640 -0.000 0.000 0.247 121 D C -1.127 174.815 176.300 -0.597 0.000 1.070 121 D CA -0.101 53.661 54.000 -0.396 0.000 0.842 121 D CB 2.345 42.983 40.800 -0.270 0.000 1.361 121 D HN 0.199 nan 8.370 nan 0.000 0.484 122 F N 1.331 121.225 119.950 -0.093 0.000 2.427 122 F HA 0.360 4.887 4.527 -0.000 0.000 0.346 122 F C -0.142 175.584 175.800 -0.123 0.000 1.120 122 F CA -0.806 57.132 58.000 -0.102 0.000 1.033 122 F CB 1.066 40.003 39.000 -0.105 0.000 1.126 122 F HN -0.012 nan 8.300 nan 0.000 0.462 123 L N 3.644 124.880 121.223 0.023 0.000 2.365 123 L HA 0.523 4.863 4.340 -0.000 0.000 0.273 123 L C -0.339 176.522 176.870 -0.015 0.000 1.000 123 L CA -1.026 53.791 54.840 -0.039 0.000 0.819 123 L CB 1.985 43.977 42.059 -0.112 0.000 1.284 123 L HN 0.571 nan 8.230 nan 0.000 0.418 124 R N 3.186 123.677 120.500 -0.014 0.000 2.288 124 R HA 0.383 4.722 4.340 -0.000 0.000 0.326 124 R C -0.408 175.879 176.300 -0.022 0.000 0.959 124 R CA -0.364 55.732 56.100 -0.007 0.000 0.834 124 R CB 0.347 30.655 30.300 0.015 0.000 1.157 124 R HN 0.643 nan 8.270 nan 0.000 0.470 125 N N 3.582 122.261 118.700 -0.034 0.000 2.686 125 N HA -0.216 4.524 4.740 -0.000 0.000 0.261 125 N C 0.625 176.105 175.510 -0.051 0.000 1.001 125 N CA 1.713 54.738 53.050 -0.043 0.000 0.764 125 N CB -0.935 37.533 38.487 -0.031 0.000 0.898 125 N HN 1.110 nan 8.380 nan 0.000 0.544 126 G N -1.001 107.757 108.800 -0.071 0.000 2.212 126 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.266 126 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.266 126 G C -0.095 174.760 174.900 -0.075 0.000 0.978 126 G CA 0.761 45.808 45.100 -0.088 0.000 0.632 126 G HN 0.580 nan 8.290 nan 0.000 0.537 127 E N 0.231 120.401 120.200 -0.051 0.000 2.175 127 E HA 0.398 4.748 4.350 -0.000 0.000 0.278 127 E C 0.391 176.972 176.600 -0.031 0.000 0.969 127 E CA -0.848 55.531 56.400 -0.036 0.000 0.796 127 E CB 1.090 30.780 29.700 -0.016 0.000 1.104 127 E HN 0.296 nan 8.360 nan 0.000 0.395 128 R N 4.192 124.672 120.500 -0.033 0.000 2.296 128 R HA 0.073 4.412 4.340 -0.000 0.000 0.323 128 R C 1.092 177.391 176.300 -0.001 0.000 1.067 128 R CA 0.080 56.164 56.100 -0.027 0.000 0.946 128 R CB 0.124 30.402 30.300 -0.036 0.000 0.991 128 R HN 0.658 nan 8.270 nan 0.000 0.448 129 I N 0.058 120.623 120.570 -0.009 0.000 2.867 129 I HA 0.199 4.369 4.170 -0.000 0.000 0.265 129 I C 0.766 176.842 176.117 -0.068 0.000 1.162 129 I CA 0.083 61.374 61.300 -0.016 0.000 1.471 129 I CB 0.387 38.358 38.000 -0.047 0.000 1.123 129 I HN 0.513 nan 8.210 nan 0.000 0.440 130 T N -1.032 113.474 114.554 -0.080 0.000 2.661 130 T HA 0.692 5.042 4.350 -0.000 0.000 0.305 130 T C -1.096 173.705 174.700 0.169 0.000 1.535 130 T CA -0.000 62.098 62.100 -0.003 0.000 1.000 130 T CB 1.196 69.958 68.868 -0.176 0.000 1.811 130 T HN 0.686 nan 8.240 nan 0.000 0.471 131 G N 0.390 109.342 108.800 0.252 0.000 2.321 131 G HA2 0.445 4.404 3.960 -0.000 0.000 0.298 131 G HA3 0.445 4.404 3.960 -0.000 0.000 0.298 131 G C -1.434 173.590 174.900 0.207 0.000 1.385 131 G CA 0.263 45.522 45.100 0.264 0.000 0.856 131 G HN 0.891 nan 8.290 nan 0.000 0.584 132 S N -0.331 115.474 115.700 0.175 0.000 2.474 132 S HA 0.554 5.024 4.470 -0.000 0.000 0.321 132 S C 0.177 174.852 174.600 0.126 0.000 1.080 132 S CA -0.379 57.910 58.200 0.148 0.000 1.106 132 S CB 0.829 64.150 63.200 0.202 0.000 0.984 132 S HN 0.562 nan 8.310 nan 0.000 0.464 133 Q N 1.891 121.747 119.800 0.094 0.000 2.382 133 Q HA 0.305 4.645 4.340 -0.000 0.000 0.229 133 Q C 0.033 176.126 176.000 0.155 0.000 1.006 133 Q CA -0.427 55.440 55.803 0.107 0.000 0.916 133 Q CB 1.010 29.782 28.738 0.056 0.000 1.235 133 Q HN 0.599 nan 8.270 nan 0.000 0.512 134 V N 2.581 122.630 119.914 0.225 0.000 2.720 134 V HA -0.143 3.977 4.120 -0.000 0.000 0.307 134 V C 0.193 176.241 176.094 -0.076 0.000 1.071 134 V CA 1.110 63.519 62.300 0.182 0.000 1.199 134 V CB -0.251 31.707 31.823 0.225 0.000 0.900 134 V HN 0.866 nan 8.190 nan 0.000 0.494 135 K N 3.183 123.413 120.400 -0.283 0.000 3.500 135 K HA -0.177 4.143 4.320 -0.000 0.000 0.313 135 K C 0.651 176.996 176.600 -0.425 0.000 1.338 135 K CA 1.249 57.120 56.287 -0.693 0.000 0.963 135 K CB -1.327 30.806 32.500 -0.613 0.000 1.267 135 K HN 0.830 nan 8.250 nan 0.000 0.448 136 N N 1.104 119.704 118.700 -0.168 0.000 2.230 136 N HA 0.009 4.748 4.740 -0.000 0.000 0.202 136 N C -0.248 175.145 175.510 -0.196 0.000 1.119 136 N CA 0.338 53.371 53.050 -0.029 0.000 0.851 136 N CB 0.286 38.773 38.487 0.000 0.000 0.990 136 N HN 0.446 nan 8.380 nan 0.000 0.497 137 N N -0.605 117.843 118.700 -0.421 0.000 2.697 137 N HA 0.715 5.455 4.740 -0.000 0.000 0.272 137 N C 0.234 175.218 175.510 -0.877 0.000 1.381 137 N CA -0.510 51.987 53.050 -0.922 0.000 0.797 137 N CB 1.561 39.759 38.487 -0.482 0.000 1.523 137 N HN -0.021 nan 8.380 nan 0.000 0.518 138 G N -1.734 106.472 108.800 -0.989 0.000 2.302 138 G HA2 0.147 4.107 3.960 -0.000 0.000 0.264 138 G HA3 0.147 4.107 3.960 -0.000 0.000 0.264 138 G C -2.349 172.569 174.900 0.030 0.000 1.335 138 G CA -0.808 44.000 45.100 -0.486 0.000 0.982 138 G HN 0.704 nan 8.290 nan 0.000 0.473 139 Y N 0.006 120.395 120.300 0.149 0.000 2.393 139 Y HA 0.683 5.233 4.550 -0.000 0.000 0.341 139 Y C -0.205 175.754 175.900 0.099 0.000 0.988 139 Y CA -0.952 57.222 58.100 0.124 0.000 1.078 139 Y CB 2.241 40.662 38.460 -0.065 0.000 1.203 139 Y HN 0.515 nan 8.280 nan 0.000 0.453 140 V N 6.403 126.178 119.914 -0.231 0.000 2.407 140 V HA 0.291 4.411 4.120 -0.000 0.000 0.291 140 V C -0.680 175.152 176.094 -0.438 0.000 1.018 140 V CA -0.875 61.300 62.300 -0.207 0.000 0.842 140 V CB 1.436 33.217 31.823 -0.071 0.000 0.996 140 V HN 0.743 nan 8.190 nan 0.000 0.426 141 Q N 3.561 123.169 119.800 -0.320 0.000 2.430 141 Q HA 0.223 4.563 4.340 -0.000 0.000 0.245 141 Q C -0.690 175.249 176.000 -0.102 0.000 1.021 141 Q CA -0.553 55.099 55.803 -0.252 0.000 0.867 141 Q CB 0.965 29.619 28.738 -0.139 0.000 1.210 141 Q HN 0.767 nan 8.270 nan 0.000 0.487 142 D N 3.438 123.814 120.400 -0.040 0.000 2.374 142 D HA -0.004 4.636 4.640 -0.000 0.000 0.240 142 D C 0.886 177.183 176.300 -0.005 0.000 1.229 142 D CA 0.031 54.036 54.000 0.009 0.000 0.895 142 D CB 1.207 42.084 40.800 0.128 0.000 1.046 142 D HN 0.684 nan 8.370 nan 0.000 0.498 143 T N 0.816 115.361 114.554 -0.015 0.000 3.148 143 T HA -0.016 4.333 4.350 -0.000 0.000 0.253 143 T C 1.140 175.837 174.700 -0.004 0.000 1.134 143 T CA 0.150 62.245 62.100 -0.008 0.000 1.051 143 T CB 0.085 68.949 68.868 -0.007 0.000 0.959 143 T HN 0.178 nan 8.240 nan 0.000 0.525 144 N N 3.003 121.700 118.700 -0.005 0.000 2.251 144 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 144 N C 1.503 177.014 175.510 0.002 0.000 1.019 144 N CA 1.423 54.470 53.050 -0.005 0.000 0.862 144 N CB -0.267 38.212 38.487 -0.013 0.000 0.992 144 N HN 0.717 nan 8.380 nan 0.000 0.429 145 N N 0.501 119.208 118.700 0.011 0.000 2.184 145 N HA -0.004 4.736 4.740 -0.000 0.000 0.206 145 N C -0.388 175.126 175.510 0.005 0.000 1.151 145 N CA 0.125 53.183 53.050 0.014 0.000 0.878 145 N CB 0.093 38.598 38.487 0.031 0.000 1.014 145 N HN -0.077 nan 8.380 nan 0.000 0.512 146 Q N -0.544 119.256 119.800 0.000 0.000 2.481 146 Q HA -0.211 4.129 4.340 -0.000 0.000 0.272 146 Q C -0.856 175.117 176.000 -0.044 0.000 1.157 146 Q CA 0.851 56.646 55.803 -0.012 0.000 0.935 146 Q CB -1.915 26.821 28.738 -0.002 0.000 1.338 146 Q HN 0.638 nan 8.270 nan 0.000 0.494 147 R N 0.475 120.932 120.500 -0.071 0.000 2.787 147 R HA 0.569 4.909 4.340 -0.000 0.000 0.271 147 R C -0.014 176.074 176.300 -0.353 0.000 0.993 147 R CA -0.832 55.133 56.100 -0.224 0.000 0.993 147 R CB 1.037 31.169 30.300 -0.280 0.000 1.155 147 R HN 0.041 nan 8.270 nan 0.000 0.486 148 N N 1.286 119.651 118.700 -0.559 0.000 2.269 148 N HA 0.366 5.106 4.740 -0.000 0.000 0.304 148 N C -1.443 173.607 175.510 -0.766 0.000 1.072 148 N CA -0.430 52.272 53.050 -0.581 0.000 0.802 148 N CB 1.932 40.193 38.487 -0.376 0.000 1.348 148 N HN 0.402 nan 8.380 nan 0.000 0.484 149 Y N 0.218 120.308 120.300 -0.349 0.000 2.512 149 Y HA 0.493 5.043 4.550 -0.000 0.000 0.348 149 Y C 0.173 176.022 175.900 -0.086 0.000 0.990 149 Y CA -0.984 57.011 58.100 -0.175 0.000 1.033 149 Y CB 1.807 40.178 38.460 -0.149 0.000 1.259 149 Y HN 0.153 nan 8.280 nan 0.000 0.461 150 M N 3.725 123.426 119.600 0.169 0.000 2.404 150 M HA 0.478 4.958 4.480 -0.000 0.000 0.338 150 M C -0.999 175.427 176.300 0.209 0.000 1.150 150 M CA -0.608 54.815 55.300 0.205 0.000 1.016 150 M CB 1.407 34.104 32.600 0.162 0.000 1.672 150 M HN 0.735 nan 8.290 nan 0.000 0.448 151 F N 0.267 120.207 119.950 -0.017 0.000 2.643 151 F HA 0.897 5.424 4.527 -0.000 0.000 0.314 151 F C -1.109 174.571 175.800 -0.200 0.000 1.096 151 F CA -0.955 56.966 58.000 -0.131 0.000 0.953 151 F CB 1.619 40.529 39.000 -0.152 0.000 1.345 151 F HN 0.555 nan 8.300 nan 0.000 0.468 152 E N 0.670 120.584 120.200 -0.476 0.000 2.390 152 E HA 0.567 4.917 4.350 -0.000 0.000 0.277 152 E C -1.875 174.377 176.600 -0.581 0.000 0.939 152 E CA -0.758 55.244 56.400 -0.663 0.000 0.769 152 E CB 2.045 31.244 29.700 -0.835 0.000 1.251 152 E HN 0.741 nan 8.360 nan 0.000 0.450 153 R N 3.050 123.357 120.500 -0.321 0.000 2.473 153 R HA 0.473 4.813 4.340 -0.000 0.000 0.303 153 R C -0.735 175.515 176.300 -0.083 0.000 1.002 153 R CA -0.637 55.357 56.100 -0.177 0.000 0.884 153 R CB 1.077 31.365 30.300 -0.021 0.000 1.173 153 R HN 0.403 nan 8.270 nan 0.000 0.464 154 L N 3.047 124.261 121.223 -0.015 0.000 2.275 154 L HA 0.281 4.621 4.340 -0.000 0.000 0.288 154 L C -0.013 176.936 176.870 0.132 0.000 1.046 154 L CA -0.856 54.057 54.840 0.122 0.000 0.805 154 L CB 1.078 43.282 42.059 0.243 0.000 1.193 154 L HN 0.407 nan 8.230 nan 0.000 0.426 155 D N 3.555 124.027 120.400 0.119 0.000 2.449 155 D HA 0.224 4.864 4.640 -0.000 0.000 0.236 155 D C -0.243 176.135 176.300 0.129 0.000 1.149 155 D CA 0.482 54.539 54.000 0.096 0.000 0.878 155 D CB 1.001 41.850 40.800 0.080 0.000 1.198 155 D HN 0.237 nan 8.370 nan 0.000 0.446 156 L N 1.606 122.881 121.223 0.086 0.000 2.313 156 L HA 0.460 4.800 4.340 -0.000 0.000 0.283 156 L C 1.177 178.085 176.870 0.063 0.000 1.013 156 L CA -0.769 54.123 54.840 0.086 0.000 0.816 156 L CB 1.878 43.958 42.059 0.035 0.000 1.236 156 L HN 0.320 nan 8.230 nan 0.000 0.419 157 G N 2.061 110.908 108.800 0.078 0.000 2.588 157 G HA2 0.387 4.346 3.960 -0.000 0.000 0.278 157 G HA3 0.387 4.346 3.960 -0.000 0.000 0.278 157 G C -0.152 174.770 174.900 0.038 0.000 1.307 157 G CA -0.563 44.570 45.100 0.055 0.000 1.016 157 G HN 0.292 nan 8.290 nan 0.000 0.503 158 V N 0.808 120.741 119.914 0.031 0.000 2.529 158 V HA 0.387 4.507 4.120 -0.000 0.000 0.292 158 V C 1.628 177.739 176.094 0.029 0.000 1.028 158 V CA 1.503 63.817 62.300 0.025 0.000 1.074 158 V CB 0.295 32.130 31.823 0.020 0.000 0.958 158 V HN 1.759 nan 8.190 nan 0.000 0.481 159 G N 3.574 112.392 108.800 0.029 0.000 2.155 159 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 159 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 159 G C 0.203 175.114 174.900 0.019 0.000 0.983 159 G CA 0.479 45.600 45.100 0.036 0.000 0.676 159 G HN 0.842 nan 8.290 nan 0.000 0.528 160 E N 1.433 121.641 120.200 0.013 0.000 2.259 160 E HA 0.497 4.847 4.350 -0.000 0.000 0.281 160 E C 0.729 177.293 176.600 -0.060 0.000 1.037 160 E CA 0.242 56.642 56.400 -0.000 0.000 0.854 160 E CB 0.381 30.104 29.700 0.037 0.000 1.051 160 E HN 0.384 nan 8.360 nan 0.000 0.409 161 T N 0.412 114.902 114.554 -0.107 0.000 2.918 161 T HA 0.584 4.934 4.350 -0.000 0.000 0.286 161 T C -0.304 174.182 174.700 -0.358 0.000 1.026 161 T CA -0.905 61.026 62.100 -0.282 0.000 1.031 161 T CB 1.629 70.230 68.868 -0.445 0.000 1.046 161 T HN 0.161 nan 8.240 nan 0.000 0.479 162 V N 2.157 121.726 119.914 -0.575 0.000 2.555 162 V HA 0.611 4.731 4.120 -0.000 0.000 0.302 162 V C -1.323 174.353 176.094 -0.697 0.000 1.038 162 V CA -0.870 61.153 62.300 -0.462 0.000 0.887 162 V CB 1.129 32.706 31.823 -0.409 0.000 0.991 162 V HN 0.954 nan 8.190 nan 0.000 0.434 163 Y N 1.418 121.594 120.300 -0.205 0.000 2.609 163 Y HA 0.867 5.417 4.550 -0.000 0.000 0.342 163 Y C 0.803 176.574 175.900 -0.214 0.000 1.058 163 Y CA 0.269 58.249 58.100 -0.199 0.000 1.055 163 Y CB 2.311 40.662 38.460 -0.181 0.000 1.292 163 Y HN 0.984 nan 8.280 nan 0.000 0.476 164 G N 0.111 108.890 108.800 -0.035 0.000 2.601 164 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.224 164 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.224 164 G C -0.151 174.659 174.900 -0.150 0.000 1.171 164 G CA -0.275 44.776 45.100 -0.081 0.000 1.009 164 G HN 1.168 nan 8.290 nan 0.000 0.589 165 L N -0.019 121.108 121.223 -0.159 0.000 4.291 165 L HA 0.023 4.363 4.340 -0.000 0.000 0.413 165 L C 1.424 178.222 176.870 -0.121 0.000 1.162 165 L CA 1.579 56.299 54.840 -0.201 0.000 0.961 165 L CB -1.743 40.102 42.059 -0.357 0.000 2.095 165 L HN 2.876 nan 8.230 nan 0.000 0.838 166 G N -0.113 108.624 108.800 -0.104 0.000 2.466 166 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.316 166 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.316 166 G C -0.539 174.205 174.900 -0.260 0.000 1.270 166 G CA 0.012 45.023 45.100 -0.148 0.000 0.982 166 G HN 0.320 nan 8.290 nan 0.000 0.506 167 E N 1.001 120.995 120.200 -0.343 0.000 1.932 167 E HA 0.414 4.764 4.350 -0.000 0.000 0.275 167 E C 0.430 176.658 176.600 -0.620 0.000 1.159 167 E CA -0.205 55.915 56.400 -0.467 0.000 0.905 167 E CB -0.004 29.466 29.700 -0.382 0.000 1.059 167 E HN 0.463 nan 8.360 nan 0.000 0.400 168 R N 3.345 123.466 120.500 -0.632 0.000 2.803 168 R HA 0.337 4.676 4.340 -0.000 0.000 0.276 168 R C -0.196 175.696 176.300 -0.679 0.000 0.978 168 R CA -0.674 55.068 56.100 -0.597 0.000 0.939 168 R CB 0.860 31.000 30.300 -0.267 0.000 1.179 168 R HN 0.479 nan 8.270 nan 0.000 0.472 169 F N -0.423 119.521 119.950 -0.009 0.000 2.682 169 F HA 0.051 4.578 4.527 -0.000 0.000 0.308 169 F C 1.498 177.302 175.800 0.006 0.000 1.093 169 F CA -0.377 57.633 58.000 0.017 0.000 1.244 169 F CB 0.224 39.258 39.000 0.058 0.000 1.052 169 F HN 0.497 nan 8.300 nan 0.000 0.573 170 T N -0.432 114.180 114.554 0.097 0.000 2.681 170 T HA 0.467 4.817 4.350 -0.000 0.000 0.333 170 T C 0.821 175.529 174.700 0.013 0.000 1.049 170 T CA -0.483 61.647 62.100 0.050 0.000 1.002 170 T CB 0.360 69.237 68.868 0.015 0.000 1.161 170 T HN 0.203 nan 8.240 nan 0.000 0.519 171 A N 0.372 123.192 122.820 -0.000 0.000 2.587 171 A HA 0.226 4.546 4.320 -0.000 0.000 0.235 171 A C 1.374 178.937 177.584 -0.034 0.000 1.044 171 A CA -0.285 51.747 52.037 -0.007 0.000 0.754 171 A CB -0.642 18.355 19.000 -0.005 0.000 0.968 171 A HN 0.992 nan 8.150 nan 0.000 0.509 172 L N 4.233 125.447 121.223 -0.016 0.000 2.012 172 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 172 L C 1.020 177.818 176.870 -0.120 0.000 1.073 172 L CA 1.771 56.594 54.840 -0.028 0.000 0.748 172 L CB -0.306 41.778 42.059 0.041 0.000 0.891 172 L HN 0.484 nan 8.230 nan 0.000 0.431 173 V N 0.824 120.636 119.914 -0.169 0.000 2.508 173 V HA 0.033 4.153 4.120 -0.000 0.000 0.281 173 V C 1.398 177.326 176.094 -0.277 0.000 1.041 173 V CA 0.025 62.077 62.300 -0.414 0.000 1.016 173 V CB 1.030 32.603 31.823 -0.417 0.000 0.984 173 V HN 0.322 nan 8.190 nan 0.000 0.478 174 R N 2.778 123.064 120.500 -0.357 0.000 2.240 174 R HA 0.075 4.415 4.340 -0.000 0.000 0.203 174 R C 0.484 176.668 176.300 -0.194 0.000 1.011 174 R CA 0.111 56.059 56.100 -0.254 0.000 1.007 174 R CB -0.258 29.862 30.300 -0.300 0.000 0.911 174 R HN 0.749 nan 8.270 nan 0.000 0.468 175 N N 0.238 118.822 118.700 -0.194 0.000 2.365 175 N HA 0.115 4.855 4.740 -0.000 0.000 0.265 175 N C 0.784 176.244 175.510 -0.082 0.000 1.288 175 N CA 1.482 54.455 53.050 -0.129 0.000 0.869 175 N CB 0.708 39.138 38.487 -0.096 0.000 1.071 175 N HN 0.334 nan 8.380 nan 0.000 0.480 176 G N 0.913 109.668 108.800 -0.075 0.000 2.218 176 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 176 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 176 G C -0.324 174.545 174.900 -0.051 0.000 0.994 176 G CA -0.135 44.931 45.100 -0.055 0.000 0.637 176 G HN 0.666 nan 8.290 nan 0.000 0.505 177 Q N 0.663 120.426 119.800 -0.061 0.000 2.266 177 Q HA 0.703 5.043 4.340 -0.000 0.000 0.261 177 Q C -0.844 175.140 176.000 -0.028 0.000 0.985 177 Q CA -0.689 55.087 55.803 -0.044 0.000 0.873 177 Q CB 1.682 30.392 28.738 -0.047 0.000 1.306 177 Q HN 0.069 nan 8.270 nan 0.000 0.447 178 T N 1.466 116.016 114.554 -0.008 0.000 2.817 178 T HA 0.391 4.741 4.350 -0.000 0.000 0.293 178 T C -0.516 174.210 174.700 0.043 0.000 0.964 178 T CA -0.399 61.713 62.100 0.021 0.000 1.085 178 T CB 0.763 69.636 68.868 0.007 0.000 0.921 178 T HN 0.387 nan 8.240 nan 0.000 0.502 179 V N 4.209 124.184 119.914 0.103 0.000 2.525 179 V HA 0.336 4.456 4.120 -0.000 0.000 0.299 179 V C -0.511 175.720 176.094 0.229 0.000 1.034 179 V CA -0.940 61.432 62.300 0.120 0.000 0.863 179 V CB 1.938 33.781 31.823 0.033 0.000 0.999 179 V HN 0.785 nan 8.190 nan 0.000 0.423 180 E N 2.578 122.892 120.200 0.190 0.000 2.134 180 E HA 0.326 4.676 4.350 -0.000 0.000 0.278 180 E C 0.106 176.891 176.600 0.307 0.000 0.959 180 E CA -0.443 56.091 56.400 0.225 0.000 0.783 180 E CB 1.829 31.613 29.700 0.140 0.000 1.095 180 E HN 0.755 nan 8.360 nan 0.000 0.399 181 T N 0.969 115.757 114.554 0.389 0.000 3.176 181 T HA 0.303 4.653 4.350 -0.000 0.000 0.301 181 T C -0.257 174.766 174.700 0.538 0.000 1.115 181 T CA -0.751 61.597 62.100 0.415 0.000 1.027 181 T CB -0.167 68.970 68.868 0.448 0.000 1.063 181 T HN 0.455 nan 8.240 nan 0.000 0.669 182 W N 4.034 125.466 121.300 0.221 0.000 3.089 182 W HA 0.264 4.924 4.660 -0.000 0.000 0.333 182 W C -1.465 175.242 176.519 0.315 0.000 1.053 182 W CA -0.915 56.590 57.345 0.267 0.000 1.257 182 W CB 1.317 30.867 29.460 0.150 0.000 1.281 182 W HN 0.380 nan 8.180 nan 0.000 0.427 183 N N 4.914 123.688 118.700 0.124 0.000 2.412 183 N HA 0.159 4.899 4.740 -0.000 0.000 0.258 183 N C -0.359 175.241 175.510 0.150 0.000 1.236 183 N CA 0.623 53.721 53.050 0.081 0.000 0.882 183 N CB 0.702 39.147 38.487 -0.070 0.000 1.066 183 N HN 0.382 nan 8.380 nan 0.000 0.465 184 R N 0.121 120.721 120.500 0.167 0.000 2.799 184 R HA 0.260 4.600 4.340 -0.000 0.000 0.270 184 R C -1.240 175.139 176.300 0.132 0.000 1.010 184 R CA -0.790 55.430 56.100 0.200 0.000 0.916 184 R CB 1.423 31.854 30.300 0.220 0.000 1.228 184 R HN 0.349 nan 8.270 nan 0.000 0.469 185 D N 0.749 121.268 120.400 0.198 0.000 2.499 185 D HA 0.247 4.887 4.640 -0.000 0.000 0.225 185 D C 0.064 176.417 176.300 0.089 0.000 1.124 185 D CA -0.055 54.064 54.000 0.198 0.000 0.938 185 D CB 0.851 41.852 40.800 0.334 0.000 1.014 185 D HN 0.722 nan 8.370 nan 0.000 0.517 186 G N 1.499 110.218 108.800 -0.135 0.000 3.519 186 G HA2 0.490 4.450 3.960 -0.000 0.000 0.269 186 G HA3 0.490 4.450 3.960 -0.000 0.000 0.269 186 G C 0.842 175.696 174.900 -0.076 0.000 1.028 186 G CA 0.163 45.234 45.100 -0.049 0.000 0.809 186 G HN 0.806 nan 8.290 nan 0.000 0.521 187 G N 0.284 109.011 108.800 -0.120 0.000 2.645 187 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.239 187 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.239 187 G C 0.888 175.616 174.900 -0.286 0.000 1.331 187 G CA 0.839 45.932 45.100 -0.011 0.000 0.890 187 G HN 1.157 nan 8.290 nan 0.000 0.572 188 T N -3.812 110.550 114.554 -0.320 0.000 3.044 188 T HA 0.514 4.864 4.350 -0.000 0.000 0.260 188 T C 1.551 175.948 174.700 -0.504 0.000 1.019 188 T CA 1.207 62.693 62.100 -1.023 0.000 0.921 188 T CB 0.447 68.826 68.868 -0.814 0.000 1.053 188 T HN 0.883 nan 8.240 nan 0.000 0.533 189 S N 1.694 117.315 115.700 -0.131 0.000 2.554 189 S HA 0.254 4.724 4.470 -0.000 0.000 0.226 189 S C 0.911 175.533 174.600 0.036 0.000 0.980 189 S CA -0.081 58.117 58.200 -0.003 0.000 0.939 189 S CB 0.385 63.596 63.200 0.018 0.000 0.832 189 S HN 0.877 nan 8.310 nan 0.000 0.486 190 T N -0.444 114.140 114.554 0.051 0.000 2.773 190 T HA 0.366 4.715 4.350 -0.000 0.000 0.278 190 T C 0.822 175.595 174.700 0.122 0.000 1.011 190 T CA -0.632 61.514 62.100 0.076 0.000 1.014 190 T CB 1.289 70.192 68.868 0.058 0.000 1.293 190 T HN -0.022 nan 8.240 nan 0.000 0.554 191 E N 0.212 120.468 120.200 0.093 0.000 2.409 191 E HA -0.070 4.279 4.350 -0.000 0.000 0.198 191 E C 0.244 176.906 176.600 0.103 0.000 1.024 191 E CA 0.536 56.991 56.400 0.091 0.000 0.861 191 E CB -0.258 29.480 29.700 0.063 0.000 0.788 191 E HN 0.769 nan 8.360 nan 0.000 0.521 192 Q N 0.327 120.190 119.800 0.105 0.000 2.317 192 Q HA 0.577 4.917 4.340 -0.000 0.000 0.229 192 Q C -0.551 175.503 176.000 0.089 0.000 0.984 192 Q CA -0.126 55.734 55.803 0.094 0.000 0.911 192 Q CB 1.325 30.108 28.738 0.075 0.000 1.217 192 Q HN 0.241 nan 8.270 nan 0.000 0.501 193 A N 0.407 123.256 122.820 0.048 0.000 2.486 193 A HA 0.436 4.756 4.320 -0.000 0.000 0.300 193 A C -1.044 176.537 177.584 -0.005 0.000 1.048 193 A CA -0.693 51.359 52.037 0.025 0.000 0.696 193 A CB 0.487 19.494 19.000 0.011 0.000 1.278 193 A HN 0.775 nan 8.150 nan 0.000 0.405 194 Y N 0.906 121.273 120.300 0.111 0.000 2.373 194 Y HA 0.050 4.600 4.550 -0.000 0.000 0.293 194 Y C 0.763 176.654 175.900 -0.015 0.000 1.129 194 Y CA 1.313 59.427 58.100 0.024 0.000 1.226 194 Y CB 0.118 38.541 38.460 -0.061 0.000 1.000 194 Y HN 0.508 nan 8.280 nan 0.000 0.549 195 K N 1.484 121.952 120.400 0.114 0.000 2.530 195 K HA 0.237 4.557 4.320 -0.000 0.000 0.230 195 K C -1.039 175.540 176.600 -0.034 0.000 1.002 195 K CA -0.259 56.014 56.287 -0.022 0.000 1.014 195 K CB 0.654 33.024 32.500 -0.217 0.000 1.286 195 K HN 0.088 nan 8.250 nan 0.000 0.480 196 N N 3.577 122.311 118.700 0.058 0.000 2.443 196 N HA 0.438 5.178 4.740 -0.000 0.000 0.295 196 N C -0.717 174.872 175.510 0.131 0.000 1.076 196 N CA -0.443 52.666 53.050 0.097 0.000 0.919 196 N CB 1.669 40.269 38.487 0.189 0.000 1.176 196 N HN 0.275 nan 8.380 nan 0.000 0.487 197 I N 2.739 123.380 120.570 0.119 0.000 2.534 197 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 197 I C -2.323 173.896 176.117 0.170 0.000 1.094 197 I CA -1.875 59.518 61.300 0.154 0.000 1.055 197 I CB 2.183 40.271 38.000 0.147 0.000 1.225 197 I HN 0.222 nan 8.210 nan 0.000 0.435 198 P HA 0.159 nan 4.420 nan 0.000 0.220 198 P C -0.641 176.843 177.300 0.307 0.000 1.778 198 P CA 0.097 63.431 63.100 0.389 0.000 0.912 198 P CB -0.539 31.525 31.700 0.607 0.000 1.861 199 F N 3.089 123.004 119.950 -0.058 0.000 2.507 199 F HA 0.545 5.072 4.527 -0.000 0.000 0.325 199 F C -1.251 174.412 175.800 -0.227 0.000 1.116 199 F CA -1.381 56.496 58.000 -0.205 0.000 0.930 199 F CB 1.442 40.169 39.000 -0.457 0.000 1.146 199 F HN -0.011 nan 8.300 nan 0.000 0.447 200 Y N 5.505 125.179 120.300 -1.043 0.000 2.576 200 Y HA 0.818 5.368 4.550 -0.000 0.000 0.346 200 Y C -1.188 173.998 175.900 -1.190 0.000 1.018 200 Y CA -1.809 55.714 58.100 -0.961 0.000 1.050 200 Y CB 1.525 39.639 38.460 -0.577 0.000 1.280 200 Y HN 0.804 nan 8.280 nan 0.000 0.474 201 M N 1.378 120.616 119.600 -0.603 0.000 2.667 201 M HA 0.870 5.350 4.480 -0.000 0.000 0.286 201 M C -1.144 175.056 176.300 -0.166 0.000 1.270 201 M CA -0.632 54.363 55.300 -0.509 0.000 0.826 201 M CB 2.539 34.886 32.600 -0.422 0.000 1.743 201 M HN 0.915 nan 8.290 nan 0.000 0.460 202 T N -2.323 112.046 114.554 -0.307 0.000 2.858 202 T HA 0.428 4.778 4.350 -0.000 0.000 0.285 202 T C 0.349 174.987 174.700 -0.104 0.000 1.052 202 T CA -0.481 61.527 62.100 -0.153 0.000 1.009 202 T CB 1.140 69.828 68.868 -0.299 0.000 1.241 202 T HN 0.859 nan 8.240 nan 0.000 0.542 203 N N -0.016 118.693 118.700 0.015 0.000 2.449 203 N HA -0.011 4.729 4.740 -0.000 0.000 0.191 203 N C 0.781 176.274 175.510 -0.028 0.000 1.161 203 N CA -0.149 52.896 53.050 -0.008 0.000 0.863 203 N CB -0.239 38.279 38.487 0.052 0.000 0.980 203 N HN 0.435 nan 8.380 nan 0.000 0.458 204 R N 0.174 120.641 120.500 -0.054 0.000 2.388 204 R HA 0.212 4.552 4.340 -0.000 0.000 0.247 204 R C 0.593 176.928 176.300 0.058 0.000 0.931 204 R CA 0.360 56.483 56.100 0.038 0.000 1.082 204 R CB -0.560 29.837 30.300 0.163 0.000 1.135 204 R HN 0.385 nan 8.270 nan 0.000 0.525 205 G N 1.811 110.582 108.800 -0.047 0.000 2.225 205 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 205 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 205 G C -0.307 174.643 174.900 0.083 0.000 1.060 205 G CA 0.934 46.032 45.100 -0.003 0.000 0.833 205 G HN 0.529 nan 8.290 nan 0.000 0.498 206 Y N -2.463 117.828 120.300 -0.016 0.000 2.638 206 Y HA 0.837 5.387 4.550 -0.000 0.000 0.339 206 Y C 0.348 176.191 175.900 -0.096 0.000 1.084 206 Y CA -1.361 56.718 58.100 -0.034 0.000 1.068 206 Y CB 0.923 39.361 38.460 -0.036 0.000 1.294 206 Y HN 0.639 nan 8.280 nan 0.000 0.480 207 G N -0.026 108.797 108.800 0.038 0.000 2.605 207 G HA2 0.593 4.552 3.960 -0.000 0.000 0.296 207 G HA3 0.593 4.552 3.960 -0.000 0.000 0.296 207 G C -2.013 172.793 174.900 -0.157 0.000 1.304 207 G CA -0.890 44.063 45.100 -0.244 0.000 0.941 207 G HN 1.359 nan 8.290 nan 0.000 0.475 208 V N 0.855 120.413 119.914 -0.593 0.000 2.686 208 V HA 0.778 4.898 4.120 -0.000 0.000 0.306 208 V C -1.607 174.389 176.094 -0.163 0.000 1.065 208 V CA -0.939 61.156 62.300 -0.341 0.000 0.894 208 V CB 1.509 33.107 31.823 -0.375 0.000 1.004 208 V HN 0.862 nan 8.190 nan 0.000 0.424 209 L N 7.356 128.741 121.223 0.270 0.000 2.296 209 L HA 0.738 5.078 4.340 -0.000 0.000 0.286 209 L C -0.649 176.452 176.870 0.385 0.000 1.023 209 L CA -0.034 55.064 54.840 0.430 0.000 0.812 209 L CB 1.826 44.273 42.059 0.645 0.000 1.223 209 L HN 0.587 nan 8.230 nan 0.000 0.421 210 V N 4.900 124.994 119.914 0.300 0.000 2.364 210 V HA 0.279 4.399 4.120 -0.000 0.000 0.272 210 V C 0.402 176.758 176.094 0.437 0.000 1.036 210 V CA -0.538 61.925 62.300 0.271 0.000 0.880 210 V CB 0.928 32.778 31.823 0.045 0.000 0.991 210 V HN 0.796 nan 8.190 nan 0.000 0.460 211 N N 3.820 122.724 118.700 0.341 0.000 3.303 211 N HA 0.125 4.865 4.740 -0.000 0.000 0.304 211 N C -0.579 174.809 175.510 -0.203 0.000 1.302 211 N CA -0.057 53.158 53.050 0.275 0.000 1.213 211 N CB -0.571 38.110 38.487 0.323 0.000 1.481 211 N HN 0.798 nan 8.380 nan 0.000 0.546 212 H N -0.681 118.511 119.070 0.203 0.000 3.172 212 H HA 0.263 4.819 4.556 -0.000 0.000 0.322 212 H C -1.834 173.426 175.328 -0.113 0.000 1.003 212 H CA -1.393 54.660 56.048 0.008 0.000 1.466 212 H CB 1.891 31.689 29.762 0.061 0.000 1.673 212 H HN 0.183 nan 8.280 nan 0.000 0.512 213 P HA -0.175 nan 4.420 nan 0.000 0.222 213 P C 0.569 177.957 177.300 0.147 0.000 1.147 213 P CA 0.872 63.792 63.100 -0.300 0.000 0.790 213 P CB 0.374 31.791 31.700 -0.471 0.000 0.780 214 Q N -0.331 119.584 119.800 0.193 0.000 2.397 214 Q HA 0.048 4.388 4.340 -0.000 0.000 0.193 214 Q C 0.051 176.289 176.000 0.396 0.000 1.083 214 Q CA -0.484 55.520 55.803 0.334 0.000 1.108 214 Q CB -0.512 28.363 28.738 0.228 0.000 1.172 214 Q HN -0.047 nan 8.270 nan 0.000 0.617 215 C N 1.347 120.889 119.300 0.402 0.000 2.592 215 C HA 0.278 4.738 4.460 -0.000 0.000 0.408 215 C C 0.001 175.096 174.990 0.176 0.000 1.436 215 C CA -0.263 58.933 59.018 0.296 0.000 1.595 215 C CB -1.274 26.410 27.740 -0.093 0.000 2.487 215 C HN 0.442 nan 8.230 nan 0.000 0.610 216 V N 6.947 126.995 119.914 0.223 0.000 2.435 216 V HA 0.434 4.554 4.120 -0.000 0.000 0.290 216 V C 0.254 176.382 176.094 0.056 0.000 1.030 216 V CA -0.129 62.220 62.300 0.082 0.000 0.881 216 V CB 1.865 33.727 31.823 0.065 0.000 0.983 216 V HN 0.905 nan 8.190 nan 0.000 0.445 217 S N 5.137 120.793 115.700 -0.073 0.000 2.448 217 S HA 0.649 5.119 4.470 -0.000 0.000 0.320 217 S C -0.916 173.637 174.600 -0.078 0.000 1.071 217 S CA -0.419 57.769 58.200 -0.019 0.000 1.113 217 S CB -0.157 63.001 63.200 -0.071 0.000 0.972 217 S HN 0.385 nan 8.310 nan 0.000 0.465 218 F N 3.032 123.025 119.950 0.071 0.000 2.420 218 F HA 0.455 4.982 4.527 -0.000 0.000 0.342 218 F C 0.824 176.622 175.800 -0.004 0.000 1.113 218 F CA -0.638 57.403 58.000 0.067 0.000 1.059 218 F CB 1.326 40.352 39.000 0.043 0.000 1.128 218 F HN 0.397 nan 8.300 nan 0.000 0.475 219 E N 3.431 123.720 120.200 0.150 0.000 2.183 219 E HA 0.239 4.589 4.350 -0.000 0.000 0.250 219 E C -0.989 175.628 176.600 0.029 0.000 0.901 219 E CA -0.359 56.068 56.400 0.045 0.000 0.741 219 E CB 1.814 31.500 29.700 -0.025 0.000 1.182 219 E HN 0.249 nan 8.360 nan 0.000 0.425 220 V N 1.822 121.734 119.914 -0.004 0.000 2.299 220 V HA 0.236 4.355 4.120 -0.000 0.000 0.255 220 V C 1.394 177.435 176.094 -0.089 0.000 1.100 220 V CA 0.284 62.534 62.300 -0.084 0.000 0.938 220 V CB 0.246 31.970 31.823 -0.166 0.000 1.139 220 V HN 0.924 nan 8.190 nan 0.000 0.490 221 G N 4.526 113.282 108.800 -0.074 0.000 2.187 221 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.261 221 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.261 221 G C 0.884 175.749 174.900 -0.058 0.000 1.000 221 G CA 0.839 45.900 45.100 -0.065 0.000 0.718 221 G HN 1.008 nan 8.290 nan 0.000 0.519 222 S N -1.969 113.698 115.700 -0.054 0.000 2.512 222 S HA 0.378 4.848 4.470 -0.000 0.000 0.216 222 S C 1.350 175.916 174.600 -0.057 0.000 1.006 222 S CA 0.882 59.052 58.200 -0.050 0.000 0.915 222 S CB 0.698 63.873 63.200 -0.042 0.000 0.824 222 S HN 0.597 nan 8.310 nan 0.000 0.497 223 E N 0.856 121.017 120.200 -0.065 0.000 2.476 223 E HA 0.202 4.552 4.350 -0.000 0.000 0.193 223 E C -0.537 176.012 176.600 -0.085 0.000 0.966 223 E CA 0.071 56.422 56.400 -0.082 0.000 1.114 223 E CB 0.522 30.161 29.700 -0.102 0.000 1.151 223 E HN 0.047 nan 8.360 nan 0.000 0.487 224 K N 2.152 122.504 120.400 -0.079 0.000 2.293 224 K HA 0.144 4.464 4.320 -0.000 0.000 0.267 224 K C 0.915 177.478 176.600 -0.061 0.000 1.010 224 K CA -0.064 56.177 56.287 -0.076 0.000 0.875 224 K CB 1.789 34.247 32.500 -0.070 0.000 1.106 224 K HN 0.174 nan 8.250 nan 0.000 0.450 225 V N 0.300 120.178 119.914 -0.061 0.000 2.759 225 V HA -0.122 3.998 4.120 -0.000 0.000 0.256 225 V C 1.098 177.167 176.094 -0.042 0.000 1.080 225 V CA 1.761 64.030 62.300 -0.051 0.000 1.101 225 V CB -0.460 31.334 31.823 -0.048 0.000 0.698 225 V HN 0.623 nan 8.190 nan 0.000 0.477 226 S N -1.203 114.475 115.700 -0.037 0.000 2.561 226 S HA 0.518 4.987 4.470 -0.000 0.000 0.245 226 S C -0.014 174.581 174.600 -0.009 0.000 1.001 226 S CA -0.638 57.550 58.200 -0.021 0.000 1.002 226 S CB -0.214 62.977 63.200 -0.015 0.000 0.805 226 S HN 0.674 nan 8.310 nan 0.000 0.458 227 K N 0.364 120.753 120.400 -0.019 0.000 2.508 227 K HA 0.593 4.913 4.320 -0.000 0.000 0.260 227 K C -1.498 175.092 176.600 -0.018 0.000 0.949 227 K CA -0.671 55.614 56.287 -0.003 0.000 0.834 227 K CB 2.464 34.960 32.500 -0.007 0.000 1.365 227 K HN 0.039 nan 8.250 nan 0.000 0.437 228 V N 2.632 122.549 119.914 0.005 0.000 2.385 228 V HA 0.232 4.352 4.120 -0.000 0.000 0.269 228 V C -0.246 175.887 176.094 0.065 0.000 1.043 228 V CA -0.468 61.839 62.300 0.011 0.000 0.906 228 V CB 0.950 32.723 31.823 -0.083 0.000 0.995 228 V HN 0.639 nan 8.190 nan 0.000 0.467 229 Q N 5.247 125.068 119.800 0.035 0.000 2.256 229 Q HA 0.653 4.993 4.340 -0.000 0.000 0.257 229 Q C -1.451 174.550 176.000 0.002 0.000 0.936 229 Q CA -0.593 55.170 55.803 -0.068 0.000 0.903 229 Q CB 1.494 30.195 28.738 -0.061 0.000 1.263 229 Q HN 0.719 nan 8.270 nan 0.000 0.440 230 F N 0.496 120.391 119.950 -0.093 0.000 2.569 230 F HA 0.735 5.262 4.527 -0.000 0.000 0.312 230 F C -0.986 174.710 175.800 -0.173 0.000 1.109 230 F CA -0.903 56.902 58.000 -0.325 0.000 0.919 230 F CB 1.607 40.199 39.000 -0.680 0.000 1.211 230 F HN 0.444 nan 8.300 nan 0.000 0.446 231 S N 1.947 117.618 115.700 -0.048 0.000 2.569 231 S HA 0.891 5.361 4.470 -0.000 0.000 0.280 231 S C -1.715 172.877 174.600 -0.014 0.000 1.111 231 S CA -0.866 57.337 58.200 0.004 0.000 0.887 231 S CB 1.851 65.022 63.200 -0.050 0.000 1.095 231 S HN 1.306 nan 8.310 nan 0.000 0.476 232 V N 0.688 120.614 119.914 0.020 0.000 2.971 232 V HA 0.536 4.656 4.120 -0.000 0.000 0.309 232 V C -0.986 175.135 176.094 0.046 0.000 1.130 232 V CA -0.750 61.523 62.300 -0.046 0.000 0.964 232 V CB 1.917 33.523 31.823 -0.363 0.000 1.029 232 V HN 1.131 nan 8.190 nan 0.000 0.427 233 E N 3.788 124.000 120.200 0.020 0.000 2.029 233 E HA 0.532 4.882 4.350 -0.000 0.000 0.276 233 E C -0.573 175.916 176.600 -0.185 0.000 1.163 233 E CA 0.325 56.589 56.400 -0.227 0.000 0.909 233 E CB 0.412 29.944 29.700 -0.279 0.000 1.046 233 E HN 0.750 nan 8.360 nan 0.000 0.406 234 S N 3.126 118.729 115.700 -0.161 0.000 2.614 234 S HA 0.071 4.541 4.470 -0.000 0.000 0.280 234 S C -0.235 174.405 174.600 0.066 0.000 1.111 234 S CA -0.712 57.438 58.200 -0.083 0.000 0.847 234 S CB 1.175 64.208 63.200 -0.279 0.000 1.079 234 S HN 0.550 nan 8.310 nan 0.000 0.452 235 E N 0.876 121.194 120.200 0.197 0.000 2.478 235 E HA 0.160 4.510 4.350 -0.000 0.000 0.194 235 E C -0.296 176.523 176.600 0.366 0.000 1.045 235 E CA 0.583 57.175 56.400 0.320 0.000 0.868 235 E CB 0.092 29.983 29.700 0.317 0.000 0.885 235 E HN 0.600 nan 8.360 nan 0.000 0.505 236 Y N -1.743 118.679 120.300 0.202 0.000 2.562 236 Y HA 0.605 5.155 4.550 -0.000 0.000 0.345 236 Y C -1.342 174.710 175.900 0.254 0.000 1.045 236 Y CA -1.755 56.471 58.100 0.210 0.000 1.028 236 Y CB 0.985 39.547 38.460 0.170 0.000 1.297 236 Y HN -0.210 nan 8.280 nan 0.000 0.463 237 L N 2.729 124.093 121.223 0.235 0.000 2.362 237 L HA 0.620 4.960 4.340 -0.000 0.000 0.275 237 L C -1.223 175.933 176.870 0.476 0.000 0.998 237 L CA -0.587 54.423 54.840 0.282 0.000 0.820 237 L CB 1.946 44.159 42.059 0.257 0.000 1.270 237 L HN 0.903 nan 8.230 nan 0.000 0.415 238 E N 3.936 124.498 120.200 0.603 0.000 2.218 238 E HA 0.500 4.850 4.350 -0.000 0.000 0.263 238 E C -1.942 174.771 176.600 0.188 0.000 0.879 238 E CA -0.625 55.924 56.400 0.249 0.000 0.762 238 E CB 1.231 31.044 29.700 0.188 0.000 1.166 238 E HN 0.573 nan 8.360 nan 0.000 0.415 239 Y N 1.611 121.871 120.300 -0.066 0.000 2.576 239 Y HA 0.696 5.246 4.550 -0.000 0.000 0.346 239 Y C -1.552 174.113 175.900 -0.391 0.000 1.018 239 Y CA -1.528 56.509 58.100 -0.105 0.000 1.050 239 Y CB 0.940 39.452 38.460 0.087 0.000 1.280 239 Y HN 0.215 nan 8.280 nan 0.000 0.474 240 F N 1.328 121.423 119.950 0.241 0.000 2.458 240 F HA 0.618 5.145 4.527 -0.000 0.000 0.336 240 F C -0.541 175.308 175.800 0.083 0.000 1.114 240 F CA -1.335 56.715 58.000 0.082 0.000 0.987 240 F CB 1.965 41.038 39.000 0.123 0.000 1.130 240 F HN 0.304 nan 8.300 nan 0.000 0.458 241 V N 5.042 125.023 119.914 0.111 0.000 2.432 241 V HA 0.352 4.472 4.120 -0.000 0.000 0.275 241 V C 0.065 176.189 176.094 0.050 0.000 1.043 241 V CA -0.518 61.763 62.300 -0.033 0.000 0.925 241 V CB 1.122 32.696 31.823 -0.415 0.000 0.985 241 V HN 0.553 nan 8.190 nan 0.000 0.466 242 I N 3.748 124.379 120.570 0.101 0.000 2.410 242 I HA 0.348 4.518 4.170 -0.000 0.000 0.286 242 I C -0.252 175.937 176.117 0.119 0.000 1.009 242 I CA -0.486 60.877 61.300 0.106 0.000 1.111 242 I CB 1.770 39.886 38.000 0.192 0.000 1.262 242 I HN 0.533 nan 8.210 nan 0.000 0.443 243 D N 4.200 124.645 120.400 0.075 0.000 2.339 243 D HA 0.361 5.001 4.640 -0.000 0.000 0.245 243 D C 0.635 176.976 176.300 0.069 0.000 1.115 243 D CA 0.230 54.278 54.000 0.081 0.000 0.917 243 D CB 1.688 42.513 40.800 0.042 0.000 1.192 243 D HN 0.599 nan 8.370 nan 0.000 0.428 244 G N 0.959 109.800 108.800 0.069 0.000 2.606 244 G HA2 0.135 4.095 3.960 -0.000 0.000 0.213 244 G HA3 0.135 4.095 3.960 -0.000 0.000 0.213 244 G C -1.555 173.356 174.900 0.018 0.000 2.020 244 G CA -0.152 44.971 45.100 0.037 0.000 0.814 244 G HN 0.605 nan 8.290 nan 0.000 0.685 245 P HA 0.179 nan 4.420 nan 0.000 0.257 245 P C 0.078 177.385 177.300 0.013 0.000 1.325 245 P CA 0.516 63.634 63.100 0.030 0.000 0.850 245 P CB 0.114 31.831 31.700 0.028 0.000 1.324 246 T N -4.326 110.223 114.554 -0.007 0.000 2.945 246 T HA 0.428 4.778 4.350 -0.000 0.000 0.286 246 T C -2.078 172.597 174.700 -0.041 0.000 1.025 246 T CA -2.359 59.724 62.100 -0.029 0.000 1.039 246 T CB 1.691 70.535 68.868 -0.040 0.000 1.068 246 T HN -0.352 nan 8.240 nan 0.000 0.497 247 P HA -0.143 nan 4.420 nan 0.000 0.218 247 P C 1.296 178.560 177.300 -0.060 0.000 1.154 247 P CA 1.416 64.465 63.100 -0.084 0.000 0.872 247 P CB 0.074 31.688 31.700 -0.143 0.000 0.790 248 K N -0.964 119.394 120.400 -0.070 0.000 2.097 248 K HA -0.040 4.279 4.320 -0.000 0.000 0.205 248 K C 2.129 178.701 176.600 -0.047 0.000 1.050 248 K CA 1.375 57.621 56.287 -0.067 0.000 0.938 248 K CB -0.510 31.942 32.500 -0.080 0.000 0.718 248 K HN 0.052 nan 8.250 nan 0.000 0.442 249 A N 0.720 123.518 122.820 -0.036 0.000 1.968 249 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 249 A C 2.271 179.854 177.584 -0.001 0.000 1.169 249 A CA 0.988 53.011 52.037 -0.023 0.000 0.638 249 A CB -0.404 18.584 19.000 -0.019 0.000 0.812 249 A HN 0.050 nan 8.150 nan 0.000 0.446 250 V N 0.159 120.083 119.914 0.018 0.000 2.343 250 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 250 V C 2.522 178.663 176.094 0.078 0.000 1.051 250 V CA 1.950 64.292 62.300 0.070 0.000 1.036 250 V CB -0.723 31.159 31.823 0.099 0.000 0.654 250 V HN 0.571 nan 8.190 nan 0.000 0.451 251 L N -0.142 121.101 121.223 0.033 0.000 2.141 251 L HA -0.147 4.192 4.340 -0.000 0.000 0.209 251 L C 2.431 179.285 176.870 -0.026 0.000 1.094 251 L CA 1.512 56.352 54.840 -0.001 0.000 0.763 251 L CB -0.593 41.442 42.059 -0.039 0.000 0.908 251 L HN 0.394 nan 8.230 nan 0.000 0.437 252 D N 0.584 120.961 120.400 -0.037 0.000 2.092 252 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 252 D C 2.296 178.563 176.300 -0.056 0.000 0.994 252 D CA 1.489 55.454 54.000 -0.057 0.000 0.828 252 D CB 0.092 40.860 40.800 -0.053 0.000 0.963 252 D HN 0.126 nan 8.370 nan 0.000 0.450 253 R N -1.109 119.375 120.500 -0.027 0.000 2.096 253 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 253 R C 2.417 178.707 176.300 -0.018 0.000 1.127 253 R CA 1.129 57.209 56.100 -0.033 0.000 0.968 253 R CB -0.532 29.755 30.300 -0.022 0.000 0.861 253 R HN 0.352 nan 8.270 nan 0.000 0.440 254 Y N 1.843 122.066 120.300 -0.128 0.000 2.145 254 Y HA -0.236 4.314 4.550 -0.000 0.000 0.286 254 Y C 2.526 178.288 175.900 -0.229 0.000 1.145 254 Y CA 2.057 60.036 58.100 -0.201 0.000 1.148 254 Y CB -0.509 37.640 38.460 -0.519 0.000 0.981 254 Y HN 0.086 nan 8.280 nan 0.000 0.507 255 T N -1.355 112.992 114.554 -0.346 0.000 2.904 255 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 255 T C 2.039 176.544 174.700 -0.326 0.000 1.059 255 T CA 1.209 63.049 62.100 -0.435 0.000 1.137 255 T CB -0.498 68.194 68.868 -0.294 0.000 0.879 255 T HN 0.413 nan 8.240 nan 0.000 0.467 256 R N -0.470 119.910 120.500 -0.200 0.000 2.096 256 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 256 R C 2.164 178.393 176.300 -0.117 0.000 1.127 256 R CA 1.252 57.267 56.100 -0.141 0.000 0.968 256 R CB -0.477 29.768 30.300 -0.092 0.000 0.861 256 R HN 0.412 nan 8.270 nan 0.000 0.440 257 F N 1.120 120.860 119.950 -0.351 0.000 2.163 257 F HA -0.089 4.438 4.527 -0.000 0.000 0.297 257 F C 2.073 177.604 175.800 -0.448 0.000 1.094 257 F CA 1.993 59.766 58.000 -0.378 0.000 1.290 257 F CB -0.474 38.282 39.000 -0.408 0.000 1.017 257 F HN 0.140 nan 8.300 nan 0.000 0.483 258 T N -2.564 111.595 114.554 -0.657 0.000 3.010 258 T HA 0.536 4.886 4.350 -0.000 0.000 0.257 258 T C 0.670 175.009 174.700 -0.602 0.000 1.020 258 T CA 0.279 61.900 62.100 -0.798 0.000 0.938 258 T CB 0.047 68.247 68.868 -1.114 0.000 1.049 258 T HN 0.597 nan 8.240 nan 0.000 0.522 259 G N 1.457 109.953 108.800 -0.507 0.000 2.542 259 G HA2 0.227 4.186 3.960 -0.000 0.000 0.391 259 G HA3 0.227 4.186 3.960 -0.000 0.000 0.391 259 G C -1.303 173.344 174.900 -0.422 0.000 1.551 259 G CA -1.296 43.542 45.100 -0.437 0.000 0.946 259 G HN 0.286 nan 8.290 nan 0.000 0.662 260 R N 1.861 122.167 120.500 -0.324 0.000 2.340 260 R HA 0.401 4.741 4.340 -0.000 0.000 0.300 260 R C -2.339 173.788 176.300 -0.288 0.000 1.069 260 R CA -1.977 53.964 56.100 -0.265 0.000 0.984 260 R CB 0.457 30.653 30.300 -0.174 0.000 1.003 260 R HN 0.318 nan 8.270 nan 0.000 0.459 261 P HA -0.082 nan 4.420 nan 0.000 0.263 261 P C -0.434 176.828 177.300 -0.064 0.000 1.175 261 P CA 0.470 63.480 63.100 -0.150 0.000 0.761 261 P CB 0.508 32.199 31.700 -0.016 0.000 0.794 262 A N 3.403 126.159 122.820 -0.107 0.000 2.346 262 A HA 0.285 4.605 4.320 -0.000 0.000 0.252 262 A C -0.251 177.387 177.584 0.089 0.000 1.089 262 A CA -0.197 51.837 52.037 -0.005 0.000 0.797 262 A CB -0.182 18.840 19.000 0.036 0.000 1.047 262 A HN 0.560 nan 8.150 nan 0.000 0.494 263 L N 2.606 123.883 121.223 0.089 0.000 2.283 263 L HA 0.459 4.799 4.340 -0.000 0.000 0.287 263 L C -2.209 174.680 176.870 0.032 0.000 1.073 263 L CA -1.868 52.997 54.840 0.042 0.000 0.822 263 L CB 0.386 42.470 42.059 0.041 0.000 1.186 263 L HN 0.364 nan 8.230 nan 0.000 0.436 264 P HA 0.274 nan 4.420 nan 0.000 0.274 264 P C -2.669 174.722 177.300 0.151 0.000 1.231 264 P CA -1.255 61.804 63.100 -0.068 0.000 0.790 264 P CB -0.227 31.278 31.700 -0.324 0.000 0.951 265 P HA -0.016 nan 4.420 nan 0.000 0.269 265 P C 0.332 177.611 177.300 -0.035 0.000 1.209 265 P CA 0.141 63.150 63.100 -0.152 0.000 0.776 265 P CB 0.547 31.885 31.700 -0.603 0.000 0.876 266 A N 4.553 127.371 122.820 -0.003 0.000 1.978 266 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 266 A C 2.019 179.744 177.584 0.236 0.000 1.170 266 A CA 1.425 53.474 52.037 0.020 0.000 0.636 266 A CB -1.654 17.201 19.000 -0.242 0.000 0.810 266 A HN 0.834 nan 8.150 nan 0.000 0.448 267 W N 0.785 122.181 121.300 0.160 0.000 2.364 267 W HA -0.174 4.486 4.660 -0.000 0.000 0.281 267 W C 1.758 178.381 176.519 0.173 0.000 1.219 267 W CA 1.315 58.722 57.345 0.105 0.000 1.220 267 W CB -1.367 28.107 29.460 0.024 0.000 1.127 267 W HN 0.522 nan 8.180 nan 0.000 0.556 268 S N 0.195 115.878 115.700 -0.027 0.000 2.515 268 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 268 S C 1.366 176.159 174.600 0.322 0.000 0.987 268 S CA 0.527 58.812 58.200 0.142 0.000 0.936 268 S CB -1.328 61.763 63.200 -0.182 0.000 0.766 268 S HN 0.190 nan 8.310 nan 0.000 0.528 269 F N 2.586 122.597 119.950 0.102 0.000 2.811 269 F HA 0.339 4.866 4.527 -0.000 0.000 0.301 269 F C 1.953 177.788 175.800 0.057 0.000 1.151 269 F CA -0.131 57.825 58.000 -0.073 0.000 1.412 269 F CB -0.531 38.437 39.000 -0.055 0.000 1.113 269 F HN 0.328 nan 8.300 nan 0.000 0.579 270 G N 0.134 109.092 108.800 0.262 0.000 2.516 270 G HA2 0.286 4.246 3.960 -0.000 0.000 0.276 270 G HA3 0.286 4.246 3.960 -0.000 0.000 0.276 270 G C -1.036 174.125 174.900 0.435 0.000 1.390 270 G CA -0.558 44.632 45.100 0.150 0.000 1.050 270 G HN 0.007 nan 8.290 nan 0.000 0.519 271 L N -0.282 121.297 121.223 0.593 0.000 2.281 271 L HA 0.529 4.869 4.340 -0.000 0.000 0.285 271 L C -1.145 175.941 176.870 0.361 0.000 1.074 271 L CA -1.034 54.061 54.840 0.426 0.000 0.817 271 L CB 0.420 42.658 42.059 0.299 0.000 1.168 271 L HN 0.412 nan 8.230 nan 0.000 0.434 272 W N 6.292 127.616 121.300 0.041 0.000 2.417 272 W HA 0.599 5.259 4.660 -0.000 0.000 0.317 272 W C -0.458 175.993 176.519 -0.114 0.000 1.121 272 W CA -0.534 56.772 57.345 -0.065 0.000 1.208 272 W CB 0.900 30.225 29.460 -0.225 0.000 1.253 272 W HN 0.335 nan 8.180 nan 0.000 0.533 273 L N 3.309 124.568 121.223 0.060 0.000 2.370 273 L HA 0.666 5.006 4.340 -0.000 0.000 0.266 273 L C 0.110 176.774 176.870 -0.343 0.000 1.002 273 L CA -0.492 54.327 54.840 -0.034 0.000 0.818 273 L CB 2.262 44.385 42.059 0.107 0.000 1.325 273 L HN 0.605 nan 8.230 nan 0.000 0.418 274 T N -1.796 112.604 114.554 -0.257 0.000 2.927 274 T HA 0.282 4.632 4.350 -0.000 0.000 0.286 274 T C 0.993 175.578 174.700 -0.191 0.000 1.040 274 T CA 0.193 62.066 62.100 -0.378 0.000 1.010 274 T CB 1.534 70.442 68.868 0.067 0.000 1.177 274 T HN 0.712 nan 8.240 nan 0.000 0.546 275 T N -1.123 113.281 114.554 -0.250 0.000 3.113 275 T HA 0.252 4.602 4.350 -0.000 0.000 0.263 275 T C 0.894 175.679 174.700 0.142 0.000 1.143 275 T CA 0.336 62.386 62.100 -0.083 0.000 1.090 275 T CB -0.856 67.445 68.868 -0.945 0.000 0.922 275 T HN 1.001 nan 8.240 nan 0.000 0.521 276 S N -0.047 115.761 115.700 0.180 0.000 3.769 276 S HA -0.163 4.307 4.470 -0.000 0.000 0.656 276 S C 0.019 174.834 174.600 0.359 0.000 1.960 276 S CA 0.196 58.505 58.200 0.182 0.000 2.104 276 S CB -1.251 61.992 63.200 0.071 0.000 0.328 276 S HN 0.489 nan 8.310 nan 0.000 1.640 277 F N 1.851 121.944 119.950 0.239 0.000 2.135 277 F HA 0.180 4.707 4.527 -0.000 0.000 0.280 277 F C 2.481 178.615 175.800 0.557 0.000 1.109 277 F CA 2.018 60.288 58.000 0.450 0.000 1.163 277 F CB -1.112 38.181 39.000 0.488 0.000 1.062 277 F HN 0.730 nan 8.300 nan 0.000 0.496 278 T N -1.094 113.387 114.554 -0.121 0.000 3.145 278 T HA 0.203 4.553 4.350 -0.000 0.000 0.255 278 T C 0.718 175.255 174.700 -0.272 0.000 1.039 278 T CA 0.274 62.164 62.100 -0.350 0.000 0.928 278 T CB -1.613 66.972 68.868 -0.471 0.000 1.029 278 T HN 0.389 nan 8.240 nan 0.000 0.554 279 T N 1.119 115.631 114.554 -0.069 0.000 2.680 279 T HA 0.187 4.537 4.350 -0.000 0.000 0.314 279 T C 0.085 174.784 174.700 -0.002 0.000 1.045 279 T CA -0.601 61.447 62.100 -0.087 0.000 1.025 279 T CB -0.055 68.732 68.868 -0.135 0.000 1.000 279 T HN 0.389 nan 8.240 nan 0.000 0.535 280 N N 0.851 119.591 118.700 0.066 0.000 2.518 280 N HA 0.534 5.274 4.740 -0.000 0.000 0.283 280 N C -1.287 174.414 175.510 0.317 0.000 1.119 280 N CA -0.642 52.416 53.050 0.013 0.000 0.983 280 N CB 0.567 39.053 38.487 -0.001 0.000 1.139 280 N HN 0.761 nan 8.380 nan 0.000 0.465 281 Y N -1.288 119.071 120.300 0.099 0.000 2.521 281 Y HA 0.549 5.099 4.550 -0.000 0.000 0.332 281 Y C -1.452 174.459 175.900 0.018 0.000 1.121 281 Y CA -1.434 56.744 58.100 0.129 0.000 1.037 281 Y CB 1.120 39.770 38.460 0.317 0.000 1.330 281 Y HN 0.501 nan 8.280 nan 0.000 0.452 282 D N -0.333 120.103 120.400 0.061 0.000 2.759 282 D HA 0.183 4.823 4.640 -0.000 0.000 0.321 282 D C 0.506 176.839 176.300 0.055 0.000 1.267 282 D CA -0.671 53.137 54.000 -0.321 0.000 0.933 282 D CB 0.946 41.528 40.800 -0.363 0.000 1.431 282 D HN 0.668 nan 8.370 nan 0.000 0.504 283 E N -0.276 119.966 120.200 0.070 0.000 2.058 283 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 283 E C 1.919 178.536 176.600 0.028 0.000 0.997 283 E CA 1.754 58.269 56.400 0.192 0.000 0.801 283 E CB -0.317 29.472 29.700 0.149 0.000 0.746 283 E HN 0.475 nan 8.360 nan 0.000 0.450 284 A N 0.246 123.047 122.820 -0.033 0.000 1.883 284 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 284 A C 2.418 179.923 177.584 -0.131 0.000 1.186 284 A CA 2.253 54.247 52.037 -0.072 0.000 0.624 284 A CB -1.135 17.826 19.000 -0.066 0.000 0.822 284 A HN 0.378 nan 8.150 nan 0.000 0.444 285 T N -0.351 114.106 114.554 -0.162 0.000 2.684 285 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 285 T C 1.879 176.221 174.700 -0.596 0.000 1.036 285 T CA 1.660 63.548 62.100 -0.353 0.000 1.148 285 T CB -0.495 68.218 68.868 -0.258 0.000 0.863 285 T HN 0.164 nan 8.240 nan 0.000 0.436 286 V N 2.534 122.225 119.914 -0.371 0.000 2.295 286 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 286 V C 2.463 178.287 176.094 -0.450 0.000 1.049 286 V CA 1.507 63.493 62.300 -0.522 0.000 1.024 286 V CB -0.617 30.974 31.823 -0.387 0.000 0.648 286 V HN 0.461 nan 8.190 nan 0.000 0.447 287 N N 0.007 118.553 118.700 -0.257 0.000 2.104 287 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 287 N C 2.133 177.577 175.510 -0.110 0.000 1.024 287 N CA 1.807 54.756 53.050 -0.168 0.000 0.853 287 N CB -0.507 37.916 38.487 -0.107 0.000 1.008 287 N HN 0.443 nan 8.380 nan 0.000 0.424 288 S N 0.008 115.637 115.700 -0.118 0.000 2.399 288 S HA -0.055 4.415 4.470 -0.000 0.000 0.231 288 S C 1.639 176.392 174.600 0.255 0.000 1.022 288 S CA 0.740 58.943 58.200 0.006 0.000 0.983 288 S CB -0.191 62.995 63.200 -0.024 0.000 0.803 288 S HN 0.152 nan 8.310 nan 0.000 0.480 289 F N 1.406 121.363 119.950 0.012 0.000 2.128 289 F HA 0.172 4.699 4.527 -0.000 0.000 0.295 289 F C 2.145 178.010 175.800 0.109 0.000 1.100 289 F CA 0.003 58.083 58.000 0.133 0.000 1.260 289 F CB -1.193 37.840 39.000 0.056 0.000 1.009 289 F HN 0.222 nan 8.300 nan 0.000 0.476 290 I N 0.014 120.655 120.570 0.118 0.000 2.252 290 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 290 I C 1.974 178.103 176.117 0.022 0.000 1.102 290 I CA 1.384 62.692 61.300 0.013 0.000 1.385 290 I CB -0.425 37.489 38.000 -0.143 0.000 1.064 290 I HN -0.005 nan 8.210 nan 0.000 0.414 291 D N 0.865 121.265 120.400 0.000 0.000 2.144 291 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 291 D C 2.215 178.483 176.300 -0.053 0.000 0.978 291 D CA 1.431 55.413 54.000 -0.031 0.000 0.833 291 D CB -0.553 40.218 40.800 -0.049 0.000 0.961 291 D HN 0.388 nan 8.370 nan 0.000 0.470 292 G N 0.858 109.646 108.800 -0.020 0.000 2.418 292 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 292 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 292 G C 1.578 176.345 174.900 -0.223 0.000 1.158 292 G CA 0.570 45.502 45.100 -0.279 0.000 0.771 292 G HN 0.090 nan 8.290 nan 0.000 0.545 293 M N 1.224 120.911 119.600 0.146 0.000 2.059 293 M HA 0.009 4.489 4.480 -0.000 0.000 0.259 293 M C 3.072 179.393 176.300 0.036 0.000 1.072 293 M CA 1.536 56.946 55.300 0.182 0.000 1.117 293 M CB -1.380 31.336 32.600 0.192 0.000 1.320 293 M HN 0.313 nan 8.290 nan 0.000 0.408 294 A N -0.082 122.736 122.820 -0.003 0.000 1.933 294 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 294 A C 2.017 179.570 177.584 -0.052 0.000 1.175 294 A CA 1.756 53.775 52.037 -0.030 0.000 0.628 294 A CB -0.767 18.209 19.000 -0.040 0.000 0.814 294 A HN 0.614 nan 8.150 nan 0.000 0.444 295 E N -0.608 119.539 120.200 -0.088 0.000 2.204 295 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 295 E C 1.625 178.166 176.600 -0.098 0.000 0.989 295 E CA 0.765 57.101 56.400 -0.106 0.000 0.824 295 E CB -0.067 29.539 29.700 -0.157 0.000 0.756 295 E HN 0.531 nan 8.360 nan 0.000 0.477 296 R N 0.729 121.172 120.500 -0.095 0.000 2.388 296 R HA 0.131 4.471 4.340 -0.000 0.000 0.247 296 R C -0.223 176.080 176.300 0.005 0.000 0.931 296 R CA -0.091 55.979 56.100 -0.050 0.000 1.082 296 R CB 0.149 30.422 30.300 -0.045 0.000 1.135 296 R HN 0.070 nan 8.270 nan 0.000 0.525 297 N N 1.170 119.868 118.700 -0.004 0.000 2.738 297 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 297 N C -1.068 174.463 175.510 0.035 0.000 1.047 297 N CA 0.910 53.966 53.050 0.009 0.000 0.707 297 N CB -1.171 37.320 38.487 0.007 0.000 0.937 297 N HN 0.298 nan 8.380 nan 0.000 0.545 298 L N 0.367 121.620 121.223 0.049 0.000 2.301 298 L HA 0.415 4.755 4.340 -0.000 0.000 0.278 298 L C -2.091 174.800 176.870 0.035 0.000 1.022 298 L CA -1.613 53.275 54.840 0.079 0.000 0.854 298 L CB 1.407 43.553 42.059 0.146 0.000 1.226 298 L HN -0.264 nan 8.230 nan 0.000 0.429 299 P HA 0.135 nan 4.420 nan 0.000 0.266 299 P C -0.998 176.159 177.300 -0.238 0.000 1.195 299 P CA -0.086 62.962 63.100 -0.087 0.000 0.768 299 P CB 0.821 32.562 31.700 0.068 0.000 0.838 300 L N 3.454 124.366 121.223 -0.519 0.000 2.464 300 L HA 0.390 4.730 4.340 -0.000 0.000 0.266 300 L C -0.214 176.259 176.870 -0.662 0.000 0.965 300 L CA 0.001 54.584 54.840 -0.427 0.000 0.833 300 L CB 1.761 43.753 42.059 -0.111 0.000 1.296 300 L HN 0.410 nan 8.230 nan 0.000 0.405 301 H N 2.642 121.720 119.070 0.013 0.000 3.091 301 H HA 0.525 5.081 4.556 -0.000 0.000 0.249 301 H C -0.655 174.561 175.328 -0.185 0.000 0.985 301 H CA 0.199 56.220 56.048 -0.045 0.000 1.177 301 H CB 1.002 30.789 29.762 0.043 0.000 1.456 301 H HN 0.242 nan 8.280 nan 0.000 0.467 302 V N 0.981 120.779 119.914 -0.192 0.000 2.760 302 V HA 0.245 4.365 4.120 -0.000 0.000 0.309 302 V C -1.554 174.417 176.094 -0.205 0.000 1.077 302 V CA -0.935 61.101 62.300 -0.439 0.000 0.910 302 V CB 2.585 33.653 31.823 -1.258 0.000 1.008 302 V HN 0.103 nan 8.190 nan 0.000 0.424 303 F N 3.463 123.263 119.950 -0.251 0.000 2.482 303 F HA 0.733 5.260 4.527 -0.000 0.000 0.331 303 F C -0.411 175.322 175.800 -0.112 0.000 1.115 303 F CA -0.432 57.474 58.000 -0.157 0.000 0.955 303 F CB 1.519 40.414 39.000 -0.174 0.000 1.136 303 F HN 0.728 nan 8.300 nan 0.000 0.452 304 H N 5.271 123.755 119.070 -0.976 0.000 2.505 304 H HA 0.447 5.003 4.556 -0.000 0.000 0.338 304 H C -1.711 173.242 175.328 -0.625 0.000 1.057 304 H CA -0.752 54.983 56.048 -0.522 0.000 1.202 304 H CB 0.839 30.381 29.762 -0.367 0.000 1.466 304 H HN 0.487 nan 8.280 nan 0.000 0.499 305 F N 4.105 123.584 119.950 -0.786 0.000 2.404 305 F HA 0.176 4.703 4.527 -0.000 0.000 0.358 305 F C 0.747 176.196 175.800 -0.585 0.000 1.120 305 F CA -0.372 57.341 58.000 -0.478 0.000 1.144 305 F CB 0.661 39.497 39.000 -0.273 0.000 1.133 305 F HN 0.644 nan 8.300 nan 0.000 0.495 306 D N 1.334 121.660 120.400 -0.122 0.000 2.469 306 D HA 0.157 4.797 4.640 -0.000 0.000 0.278 306 D C 1.080 177.593 176.300 0.355 0.000 1.231 306 D CA -0.436 53.699 54.000 0.225 0.000 1.075 306 D CB 0.779 41.799 40.800 0.366 0.000 1.121 306 D HN 0.556 nan 8.370 nan 0.000 0.571 307 C N -0.430 118.792 119.300 -0.131 0.000 2.413 307 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 307 C C 2.266 176.773 174.990 -0.805 0.000 1.265 307 C CA 0.085 58.394 59.018 -1.181 0.000 1.752 307 C CB -1.274 25.038 27.740 -2.380 0.000 1.998 307 C HN 0.454 nan 8.230 nan 0.000 0.489 308 F N 1.650 121.646 119.950 0.077 0.000 2.772 308 F HA -0.006 4.521 4.527 -0.000 0.000 0.302 308 F C 2.074 178.109 175.800 0.392 0.000 1.225 308 F CA 0.143 58.265 58.000 0.202 0.000 1.429 308 F CB -0.735 38.216 39.000 -0.083 0.000 1.104 308 F HN 0.592 nan 8.300 nan 0.000 0.550 309 W N -0.489 121.063 121.300 0.420 0.000 2.519 309 W HA 0.096 4.756 4.660 -0.000 0.000 0.266 309 W C 0.074 176.669 176.519 0.126 0.000 1.253 309 W CA 0.171 57.684 57.345 0.280 0.000 1.274 309 W CB -0.605 28.713 29.460 -0.236 0.000 1.114 309 W HN -0.034 nan 8.180 nan 0.000 0.596 310 M N 1.554 120.878 119.600 -0.460 0.000 2.471 310 M HA 0.277 4.757 4.480 -0.000 0.000 0.309 310 M C 0.234 176.617 176.300 0.137 0.000 1.186 310 M CA -0.536 54.584 55.300 -0.300 0.000 1.008 310 M CB 1.619 33.904 32.600 -0.523 0.000 1.551 310 M HN -0.369 nan 8.290 nan 0.000 0.477 311 K N 1.261 121.725 120.400 0.106 0.000 2.401 311 K HA 0.344 4.664 4.320 -0.000 0.000 0.278 311 K C -0.237 176.263 176.600 -0.166 0.000 1.018 311 K CA -0.386 55.934 56.287 0.054 0.000 0.981 311 K CB 0.653 33.175 32.500 0.037 0.000 0.933 311 K HN 0.742 nan 8.250 nan 0.000 0.477 312 A N 2.888 125.505 122.820 -0.340 0.000 2.561 312 A HA 0.042 4.362 4.320 -0.000 0.000 0.234 312 A C 0.116 177.129 177.584 -0.951 0.000 1.055 312 A CA 0.233 51.671 52.037 -0.999 0.000 0.756 312 A CB -0.579 17.868 19.000 -0.922 0.000 0.986 312 A HN 0.800 nan 8.150 nan 0.000 0.505 313 F N -1.364 118.008 119.950 -0.964 0.000 2.748 313 F HA -0.262 4.265 4.527 -0.000 0.000 0.370 313 F C 1.293 176.848 175.800 -0.408 0.000 0.620 313 F CA 1.759 59.386 58.000 -0.623 0.000 1.233 313 F CB -1.912 36.857 39.000 -0.384 0.000 1.708 313 F HN 0.734 nan 8.300 nan 0.000 0.298 314 Q N -1.323 118.322 119.800 -0.258 0.000 2.198 314 Q HA 0.058 4.398 4.340 -0.000 0.000 0.209 314 Q C 0.029 176.113 176.000 0.140 0.000 0.848 314 Q CA -0.342 55.451 55.803 -0.016 0.000 0.974 314 Q CB 0.324 29.076 28.738 0.024 0.000 1.115 314 Q HN 0.284 nan 8.270 nan 0.000 0.494 315 W N 0.240 121.512 121.300 -0.048 0.000 2.193 315 W HA 0.010 4.669 4.660 -0.000 0.000 0.338 315 W C 0.927 177.580 176.519 0.223 0.000 1.310 315 W CA -1.442 55.929 57.345 0.043 0.000 1.243 315 W CB 0.035 29.516 29.460 0.035 0.000 1.165 315 W HN 0.125 nan 8.180 nan 0.000 0.566 316 C N 3.894 123.487 119.300 0.489 0.000 3.744 316 C HA -0.275 4.185 4.460 -0.000 0.000 0.290 316 C C 1.304 176.237 174.990 -0.095 0.000 1.385 316 C CA 1.074 60.142 59.018 0.085 0.000 2.099 316 C CB -2.195 25.536 27.740 -0.015 0.000 1.359 316 C HN 0.666 nan 8.230 nan 0.000 0.629 317 D N -1.413 118.948 120.400 -0.064 0.000 2.398 317 D HA 0.142 4.782 4.640 -0.000 0.000 0.210 317 D C 0.846 177.246 176.300 0.167 0.000 1.094 317 D CA -0.135 53.947 54.000 0.136 0.000 0.839 317 D CB -0.316 40.629 40.800 0.242 0.000 0.963 317 D HN 0.505 nan 8.370 nan 0.000 0.506 318 F N -0.157 119.818 119.950 0.041 0.000 2.953 318 F HA -0.193 4.334 4.527 -0.000 0.000 0.292 318 F C -0.121 175.703 175.800 0.041 0.000 0.747 318 F CA 0.415 58.429 58.000 0.024 0.000 1.222 318 F CB -1.961 37.074 39.000 0.058 0.000 1.457 318 F HN -0.005 nan 8.300 nan 0.000 0.383 319 E N 0.121 120.350 120.200 0.049 0.000 2.133 319 E HA 0.203 4.552 4.350 -0.000 0.000 0.274 319 E C -0.337 176.339 176.600 0.128 0.000 0.930 319 E CA -0.750 55.758 56.400 0.180 0.000 0.770 319 E CB 0.582 30.400 29.700 0.196 0.000 1.104 319 E HN 0.188 nan 8.360 nan 0.000 0.403 320 W N 1.872 123.389 121.300 0.362 0.000 2.257 320 W HA -0.046 4.614 4.660 -0.000 0.000 0.337 320 W C 1.091 177.796 176.519 0.310 0.000 1.321 320 W CA 0.156 57.758 57.345 0.428 0.000 1.267 320 W CB 0.305 29.995 29.460 0.383 0.000 1.187 320 W HN 0.299 nan 8.180 nan 0.000 0.565 321 D N 4.908 125.643 120.400 0.559 0.000 2.389 321 D HA -0.003 4.637 4.640 -0.000 0.000 0.263 321 D C -1.420 175.115 176.300 0.391 0.000 1.255 321 D CA -1.379 52.862 54.000 0.402 0.000 0.914 321 D CB 1.193 42.228 40.800 0.391 0.000 1.116 321 D HN 0.072 nan 8.370 nan 0.000 0.502 322 P HA -0.000 nan 4.420 nan 0.000 0.229 322 P C 1.460 178.845 177.300 0.142 0.000 1.160 322 P CA 0.469 63.697 63.100 0.213 0.000 0.777 322 P CB 0.365 32.161 31.700 0.160 0.000 0.814 323 L N -1.827 119.464 121.223 0.113 0.000 2.202 323 L HA -0.000 4.339 4.340 -0.000 0.000 0.205 323 L C 2.118 178.983 176.870 -0.008 0.000 1.083 323 L CA 1.356 56.223 54.840 0.045 0.000 0.790 323 L CB -0.854 41.222 42.059 0.028 0.000 0.942 323 L HN -0.069 nan 8.230 nan 0.000 0.452 324 T N -1.151 113.392 114.554 -0.019 0.000 3.009 324 T HA 0.090 4.440 4.350 -0.000 0.000 0.258 324 T C -0.026 174.394 174.700 -0.468 0.000 1.063 324 T CA 0.706 62.653 62.100 -0.255 0.000 1.139 324 T CB 0.098 68.805 68.868 -0.270 0.000 0.890 324 T HN -0.040 nan 8.240 nan 0.000 0.471 325 F N 1.036 121.118 119.950 0.220 0.000 2.622 325 F HA 0.376 4.903 4.527 -0.000 0.000 0.338 325 F C -2.136 173.719 175.800 0.092 0.000 1.334 325 F CA -2.667 55.448 58.000 0.190 0.000 1.179 325 F CB 1.447 40.677 39.000 0.385 0.000 1.471 325 F HN -0.077 nan 8.300 nan 0.000 0.576 326 P HA -0.158 nan 4.420 nan 0.000 0.217 326 P C 0.213 177.536 177.300 0.038 0.000 1.148 326 P CA 1.544 64.694 63.100 0.084 0.000 0.828 326 P CB 0.350 32.072 31.700 0.037 0.000 0.783 327 D N -2.529 117.866 120.400 -0.008 0.000 2.517 327 D HA 0.170 4.809 4.640 -0.000 0.000 0.263 327 D C -2.179 173.989 176.300 -0.221 0.000 1.233 327 D CA -2.066 51.880 54.000 -0.090 0.000 0.849 327 D CB 0.443 41.205 40.800 -0.062 0.000 1.261 327 D HN -0.139 nan 8.370 nan 0.000 0.516 328 P HA -0.086 nan 4.420 nan 0.000 0.215 328 P C 1.240 178.148 177.300 -0.653 0.000 1.157 328 P CA 0.850 63.391 63.100 -0.932 0.000 0.859 328 P CB 0.404 31.114 31.700 -1.649 0.000 0.786 329 E N -0.088 119.856 120.200 -0.426 0.000 2.051 329 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 329 E C 2.191 178.661 176.600 -0.217 0.000 0.991 329 E CA 1.759 57.993 56.400 -0.276 0.000 0.799 329 E CB -1.185 28.408 29.700 -0.178 0.000 0.748 329 E HN 0.104 nan 8.360 nan 0.000 0.449 330 G N 1.233 109.925 108.800 -0.182 0.000 2.446 330 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.217 330 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.217 330 G C 1.625 176.442 174.900 -0.138 0.000 1.168 330 G CA 1.084 46.104 45.100 -0.134 0.000 0.771 330 G HN 0.380 nan 8.290 nan 0.000 0.551 331 M N -0.054 119.447 119.600 -0.166 0.000 2.080 331 M HA -0.021 4.459 4.480 -0.000 0.000 0.260 331 M C 2.521 178.736 176.300 -0.141 0.000 1.068 331 M CA 1.515 56.738 55.300 -0.128 0.000 1.109 331 M CB -0.245 32.288 32.600 -0.112 0.000 1.342 331 M HN 0.256 nan 8.290 nan 0.000 0.405 332 I N -0.188 120.245 120.570 -0.229 0.000 2.179 332 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 332 I C 2.687 178.720 176.117 -0.140 0.000 1.088 332 I CA 1.560 62.744 61.300 -0.193 0.000 1.357 332 I CB -0.552 37.288 38.000 -0.266 0.000 1.051 332 I HN 0.382 nan 8.210 nan 0.000 0.409 333 R N 1.024 121.439 120.500 -0.141 0.000 2.096 333 R HA -0.214 4.126 4.340 -0.000 0.000 0.240 333 R C 2.491 178.731 176.300 -0.100 0.000 1.139 333 R CA 1.691 57.722 56.100 -0.116 0.000 0.952 333 R CB -0.160 30.076 30.300 -0.107 0.000 0.854 333 R HN 0.268 nan 8.270 nan 0.000 0.436 334 R N 0.130 120.574 120.500 -0.093 0.000 2.083 334 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 334 R C 2.401 178.651 176.300 -0.083 0.000 1.137 334 R CA 1.832 57.884 56.100 -0.080 0.000 0.951 334 R CB -0.442 29.815 30.300 -0.071 0.000 0.851 334 R HN 0.298 nan 8.270 nan 0.000 0.434 335 L N 0.296 121.469 121.223 -0.082 0.000 2.201 335 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 335 L C 2.307 179.120 176.870 -0.095 0.000 1.105 335 L CA 1.076 55.864 54.840 -0.086 0.000 0.775 335 L CB -0.238 41.785 42.059 -0.059 0.000 0.913 335 L HN 0.054 nan 8.230 nan 0.000 0.440 336 K N 0.252 120.591 120.400 -0.103 0.000 2.366 336 K HA 0.021 4.341 4.320 -0.000 0.000 0.198 336 K C 2.079 178.613 176.600 -0.111 0.000 1.044 336 K CA 0.780 56.994 56.287 -0.121 0.000 0.973 336 K CB 0.032 32.453 32.500 -0.131 0.000 0.767 336 K HN 0.229 nan 8.250 nan 0.000 0.475 337 A N 1.297 124.060 122.820 -0.095 0.000 1.902 337 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 337 A C 1.290 178.826 177.584 -0.080 0.000 1.181 337 A CA 1.476 53.463 52.037 -0.083 0.000 0.623 337 A CB -0.326 18.630 19.000 -0.073 0.000 0.818 337 A HN 0.294 nan 8.150 nan 0.000 0.443 338 K N -0.248 120.103 120.400 -0.081 0.000 2.668 338 K HA 0.254 4.574 4.320 -0.000 0.000 0.204 338 K C 1.032 177.582 176.600 -0.082 0.000 1.016 338 K CA 0.403 56.644 56.287 -0.077 0.000 1.131 338 K CB -0.655 31.798 32.500 -0.078 0.000 0.891 338 K HN 0.648 nan 8.250 nan 0.000 0.499 339 G N 1.277 110.021 108.800 -0.093 0.000 2.205 339 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.269 339 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.269 339 G C 0.220 175.035 174.900 -0.141 0.000 0.977 339 G CA 0.036 45.072 45.100 -0.107 0.000 0.652 339 G HN 0.348 nan 8.290 nan 0.000 0.539 340 L N 0.538 121.676 121.223 -0.142 0.000 2.485 340 L HA 0.212 4.552 4.340 -0.000 0.000 0.275 340 L C 0.800 177.509 176.870 -0.268 0.000 1.207 340 L CA -0.038 54.702 54.840 -0.167 0.000 0.855 340 L CB 0.417 42.405 42.059 -0.118 0.000 1.114 340 L HN 0.016 nan 8.230 nan 0.000 0.485 341 K N 3.788 123.961 120.400 -0.379 0.000 2.118 341 K HA 0.523 4.843 4.320 -0.000 0.000 0.264 341 K C -0.745 175.636 176.600 -0.365 0.000 1.000 341 K CA -0.552 55.396 56.287 -0.565 0.000 0.929 341 K CB 1.719 33.561 32.500 -1.097 0.000 1.021 341 K HN 0.275 nan 8.250 nan 0.000 0.463 342 I N 0.936 121.315 120.570 -0.317 0.000 2.466 342 I HA 0.159 4.329 4.170 -0.000 0.000 0.289 342 I C -0.503 175.526 176.117 -0.147 0.000 1.026 342 I CA -0.413 60.813 61.300 -0.124 0.000 1.078 342 I CB 1.727 39.706 38.000 -0.036 0.000 1.249 342 I HN 0.521 nan 8.210 nan 0.000 0.429 343 C N 7.245 126.523 119.300 -0.037 0.000 2.493 343 C HA 0.914 5.374 4.460 -0.000 0.000 0.326 343 C C -0.294 174.755 174.990 0.098 0.000 1.200 343 C CA -0.355 58.689 59.018 0.044 0.000 1.739 343 C CB 0.949 28.845 27.740 0.259 0.000 2.300 343 C HN 0.685 nan 8.230 nan 0.000 0.500 344 V N 2.596 122.548 119.914 0.063 0.000 2.914 344 V HA 0.673 4.793 4.120 -0.000 0.000 0.314 344 V C -0.787 175.581 176.094 0.457 0.000 1.084 344 V CA -0.911 61.403 62.300 0.023 0.000 0.963 344 V CB 1.458 32.971 31.823 -0.516 0.000 1.025 344 V HN 1.090 nan 8.190 nan 0.000 0.432 345 W N 5.481 127.020 121.300 0.399 0.000 2.253 345 W HA 0.661 5.321 4.660 -0.000 0.000 0.322 345 W C -0.186 176.656 176.519 0.539 0.000 1.342 345 W CA 0.050 57.706 57.345 0.518 0.000 1.218 345 W CB 0.669 30.373 29.460 0.407 0.000 1.205 345 W HN 0.868 nan 8.180 nan 0.000 0.551 346 I N 4.670 125.031 120.570 -0.348 0.000 3.074 346 I HA 0.661 4.831 4.170 -0.000 0.000 0.310 346 I C -0.968 174.520 176.117 -1.047 0.000 1.153 346 I CA -1.162 59.825 61.300 -0.523 0.000 0.993 346 I CB 2.249 40.280 38.000 0.051 0.000 1.237 346 I HN 0.603 nan 8.210 nan 0.000 0.443 347 N N 1.925 120.236 118.700 -0.649 0.000 3.243 347 N HA 0.570 5.309 4.740 -0.000 0.000 0.280 347 N C -2.920 172.514 175.510 -0.128 0.000 1.545 347 N CA -1.703 51.138 53.050 -0.349 0.000 0.854 347 N CB 1.201 39.442 38.487 -0.410 0.000 1.612 347 N HN 0.423 nan 8.380 nan 0.000 0.577 348 P HA 0.312 nan 4.420 nan 0.000 0.262 348 P C -1.144 176.320 177.300 0.274 0.000 1.651 348 P CA 0.196 63.198 63.100 -0.163 0.000 1.119 348 P CB -0.297 31.064 31.700 -0.566 0.000 1.552 349 Y N 0.066 120.547 120.300 0.301 0.000 2.598 349 Y HA 0.636 5.186 4.550 -0.000 0.000 0.340 349 Y C 0.357 176.415 175.900 0.264 0.000 1.038 349 Y CA -2.573 55.657 58.100 0.217 0.000 1.100 349 Y CB 1.445 40.044 38.460 0.232 0.000 1.281 349 Y HN -0.226 nan 8.280 nan 0.000 0.488 350 I N 0.449 121.196 120.570 0.296 0.000 2.656 350 I HA 0.702 4.872 4.170 -0.000 0.000 0.292 350 I C -0.230 176.082 176.117 0.325 0.000 1.144 350 I CA -0.579 60.886 61.300 0.274 0.000 1.038 350 I CB 1.840 39.883 38.000 0.072 0.000 1.244 350 I HN 0.738 nan 8.210 nan 0.000 0.420 351 G N 4.417 113.381 108.800 0.274 0.000 2.432 351 G HA2 0.132 4.092 3.960 -0.000 0.000 0.257 351 G HA3 0.132 4.092 3.960 -0.000 0.000 0.257 351 G C 0.297 175.228 174.900 0.053 0.000 1.238 351 G CA -0.242 44.941 45.100 0.139 0.000 0.838 351 G HN 0.861 nan 8.290 nan 0.000 0.547 352 Q N 1.370 120.994 119.800 -0.294 0.000 2.197 352 Q HA -0.192 4.148 4.340 -0.000 0.000 0.207 352 Q C 2.241 177.981 176.000 -0.433 0.000 0.984 352 Q CA 1.744 56.986 55.803 -0.935 0.000 0.869 352 Q CB -0.049 28.126 28.738 -0.938 0.000 0.906 352 Q HN 0.713 nan 8.270 nan 0.000 0.426 353 K N 0.296 120.569 120.400 -0.212 0.000 2.209 353 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 353 K C 0.603 177.195 176.600 -0.012 0.000 1.048 353 K CA 0.722 56.945 56.287 -0.105 0.000 0.940 353 K CB -0.121 32.349 32.500 -0.049 0.000 0.729 353 K HN 0.067 nan 8.250 nan 0.000 0.451 354 S N 1.046 116.777 115.700 0.052 0.000 2.546 354 S HA 0.059 4.529 4.470 -0.000 0.000 0.290 354 S C -1.854 172.834 174.600 0.146 0.000 1.290 354 S CA -1.354 56.920 58.200 0.124 0.000 1.069 354 S CB 0.916 64.232 63.200 0.194 0.000 0.846 354 S HN 0.072 nan 8.310 nan 0.000 0.495 355 P HA -0.084 nan 4.420 nan 0.000 0.220 355 P C 1.168 178.576 177.300 0.180 0.000 1.144 355 P CA 0.685 63.867 63.100 0.138 0.000 0.800 355 P CB 0.016 31.794 31.700 0.130 0.000 0.772 356 V N -1.775 118.277 119.914 0.230 0.000 3.041 356 V HA -0.142 3.978 4.120 -0.000 0.000 0.260 356 V C 1.997 178.199 176.094 0.179 0.000 1.105 356 V CA 0.820 63.275 62.300 0.258 0.000 1.125 356 V CB -1.313 30.760 31.823 0.418 0.000 0.730 356 V HN 0.016 nan 8.190 nan 0.000 0.479 357 F N 1.642 121.611 119.950 0.033 0.000 2.065 357 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 357 F C 2.493 178.254 175.800 -0.065 0.000 1.112 357 F CA 2.373 60.350 58.000 -0.038 0.000 1.212 357 F CB -0.184 38.798 39.000 -0.029 0.000 0.975 357 F HN -0.008 nan 8.300 nan 0.000 0.476 358 K N 0.382 120.940 120.400 0.263 0.000 2.044 358 K HA -0.301 4.019 4.320 -0.000 0.000 0.210 358 K C 2.252 178.839 176.600 -0.021 0.000 1.049 358 K CA 2.015 58.380 56.287 0.129 0.000 0.927 358 K CB -0.478 32.093 32.500 0.118 0.000 0.713 358 K HN 0.499 nan 8.250 nan 0.000 0.443 359 E N 0.584 120.771 120.200 -0.021 0.000 2.038 359 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 359 E C 2.158 178.592 176.600 -0.275 0.000 1.000 359 E CA 1.434 57.784 56.400 -0.084 0.000 0.803 359 E CB -0.104 29.612 29.700 0.027 0.000 0.750 359 E HN 0.326 nan 8.360 nan 0.000 0.448 360 L N 0.486 121.494 121.223 -0.359 0.000 2.083 360 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 360 L C 2.938 179.528 176.870 -0.467 0.000 1.083 360 L CA 1.447 55.974 54.840 -0.523 0.000 0.752 360 L CB -0.512 41.216 42.059 -0.552 0.000 0.899 360 L HN 0.293 nan 8.230 nan 0.000 0.433 361 Q N 0.489 120.037 119.800 -0.420 0.000 2.050 361 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 361 Q C 2.052 177.923 176.000 -0.215 0.000 0.980 361 Q CA 1.748 57.361 55.803 -0.315 0.000 0.840 361 Q CB 0.063 28.672 28.738 -0.215 0.000 0.898 361 Q HN 0.520 nan 8.270 nan 0.000 0.424 362 E N 0.255 120.339 120.200 -0.192 0.000 2.077 362 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 362 E C 1.869 178.345 176.600 -0.207 0.000 0.989 362 E CA 1.166 57.477 56.400 -0.148 0.000 0.800 362 E CB 0.065 29.701 29.700 -0.106 0.000 0.746 362 E HN 0.295 nan 8.360 nan 0.000 0.452 363 K N -0.507 119.667 120.400 -0.376 0.000 2.432 363 K HA 0.023 4.342 4.320 -0.000 0.000 0.196 363 K C 0.993 177.341 176.600 -0.419 0.000 1.038 363 K CA 0.540 56.497 56.287 -0.550 0.000 0.986 363 K CB 0.363 32.149 32.500 -1.191 0.000 0.782 363 K HN 0.250 nan 8.250 nan 0.000 0.485 364 G N 1.030 109.667 108.800 -0.272 0.000 2.149 364 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.235 364 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.235 364 G C 0.130 175.095 174.900 0.109 0.000 1.018 364 G CA -0.162 44.910 45.100 -0.046 0.000 0.728 364 G HN 0.235 nan 8.290 nan 0.000 0.508 365 Y N -0.438 119.772 120.300 -0.151 0.000 2.490 365 Y HA 0.447 4.997 4.550 -0.000 0.000 0.281 365 Y C 1.635 177.438 175.900 -0.162 0.000 1.174 365 Y CA -0.499 57.511 58.100 -0.149 0.000 1.295 365 Y CB 0.086 38.427 38.460 -0.199 0.000 1.062 365 Y HN 0.324 nan 8.280 nan 0.000 0.522 366 L N 0.275 121.458 121.223 -0.066 0.000 2.334 366 L HA 0.321 4.661 4.340 -0.000 0.000 0.276 366 L C -0.407 176.386 176.870 -0.129 0.000 1.014 366 L CA -1.409 53.326 54.840 -0.176 0.000 0.815 366 L CB 1.766 43.628 42.059 -0.328 0.000 1.268 366 L HN -0.202 nan 8.230 nan 0.000 0.428 367 L N 3.509 124.623 121.223 -0.182 0.000 2.601 367 L HA 0.004 4.344 4.340 -0.000 0.000 0.277 367 L C -0.163 176.596 176.870 -0.185 0.000 1.219 367 L CA 0.955 55.620 54.840 -0.292 0.000 0.915 367 L CB -0.281 41.462 42.059 -0.526 0.000 1.160 367 L HN 0.484 nan 8.230 nan 0.000 0.494 368 K N 5.273 125.564 120.400 -0.181 0.000 2.166 368 K HA 0.539 4.859 4.320 -0.000 0.000 0.245 368 K C -0.270 176.274 176.600 -0.093 0.000 0.967 368 K CA -0.937 55.298 56.287 -0.086 0.000 0.863 368 K CB 1.579 34.052 32.500 -0.046 0.000 1.107 368 K HN 0.567 nan 8.250 nan 0.000 0.436 369 R N 0.975 121.467 120.500 -0.013 0.000 2.583 369 R HA 0.110 4.449 4.340 -0.000 0.000 0.268 369 R C -1.754 174.537 176.300 -0.016 0.000 1.101 369 R CA -1.742 54.359 56.100 0.002 0.000 1.180 369 R CB -0.009 30.314 30.300 0.039 0.000 1.128 369 R HN 0.328 nan 8.270 nan 0.000 0.568 370 P HA -0.161 nan 4.420 nan 0.000 0.220 370 P C 0.289 177.588 177.300 -0.001 0.000 1.148 370 P CA 1.215 64.313 63.100 -0.004 0.000 0.803 370 P CB 0.054 31.759 31.700 0.007 0.000 0.782 371 D N -1.558 118.843 120.400 0.001 0.000 2.371 371 D HA 0.001 4.641 4.640 -0.000 0.000 0.221 371 D C 1.548 177.846 176.300 -0.003 0.000 0.986 371 D CA 1.098 55.098 54.000 -0.000 0.000 0.899 371 D CB -0.911 39.889 40.800 -0.000 0.000 0.902 371 D HN 0.258 nan 8.370 nan 0.000 0.530 372 G N -0.133 108.664 108.800 -0.005 0.000 2.232 372 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.226 372 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.226 372 G C 0.493 175.389 174.900 -0.007 0.000 0.996 372 G CA 0.392 45.489 45.100 -0.004 0.000 0.626 372 G HN 0.873 nan 8.290 nan 0.000 0.509 373 S N 0.566 116.261 115.700 -0.008 0.000 2.596 373 S HA 0.617 5.087 4.470 -0.000 0.000 0.260 373 S C 0.659 175.253 174.600 -0.009 0.000 1.336 373 S CA -0.442 57.752 58.200 -0.010 0.000 0.993 373 S CB 0.956 64.147 63.200 -0.015 0.000 0.923 373 S HN 0.732 nan 8.310 nan 0.000 0.567 374 L N 0.971 122.190 121.223 -0.007 0.000 2.380 374 L HA 0.242 4.582 4.340 -0.000 0.000 0.273 374 L C 0.107 176.985 176.870 0.012 0.000 1.138 374 L CA -0.611 54.229 54.840 0.001 0.000 0.832 374 L CB 0.351 42.422 42.059 0.020 0.000 1.124 374 L HN 0.844 nan 8.230 nan 0.000 0.454 375 W N 4.693 125.907 121.300 -0.143 0.000 2.368 375 W HA 0.205 4.865 4.660 -0.000 0.000 0.316 375 W C -0.323 176.114 176.519 -0.137 0.000 1.375 375 W CA 0.043 57.287 57.345 -0.169 0.000 1.261 375 W CB 0.348 29.646 29.460 -0.270 0.000 1.298 375 W HN 0.447 nan 8.180 nan 0.000 0.539 376 Q N 5.667 124.979 119.800 -0.813 0.000 2.416 376 Q HA 0.419 4.759 4.340 -0.000 0.000 0.281 376 Q C -0.946 174.523 176.000 -0.885 0.000 1.067 376 Q CA -0.905 54.521 55.803 -0.629 0.000 0.809 376 Q CB 2.535 31.143 28.738 -0.217 0.000 1.418 376 Q HN 0.557 nan 8.270 nan 0.000 0.411 377 W N 0.249 121.151 121.300 -0.663 0.000 2.961 377 W HA 0.497 5.157 4.660 -0.000 0.000 0.368 377 W C -1.063 175.350 176.519 -0.178 0.000 1.213 377 W CA -0.968 56.128 57.345 -0.414 0.000 1.173 377 W CB -0.049 29.191 29.460 -0.367 0.000 1.487 377 W HN 0.492 nan 8.180 nan 0.000 0.585 378 D N 0.375 120.759 120.400 -0.026 0.000 2.395 378 D HA 0.078 4.718 4.640 -0.000 0.000 0.213 378 D C 0.046 176.214 176.300 -0.220 0.000 1.110 378 D CA 0.179 54.111 54.000 -0.114 0.000 0.835 378 D CB 0.552 41.280 40.800 -0.120 0.000 0.965 378 D HN 0.019 nan 8.370 nan 0.000 0.505 379 K N 0.552 120.600 120.400 -0.587 0.000 2.298 379 K HA -0.003 4.317 4.320 -0.000 0.000 0.280 379 K C 0.887 177.523 176.600 0.061 0.000 1.032 379 K CA -0.308 55.702 56.287 -0.463 0.000 0.958 379 K CB 1.788 33.652 32.500 -1.059 0.000 0.978 379 K HN 0.227 nan 8.250 nan 0.000 0.472 380 W N 0.791 122.107 121.300 0.026 0.000 0.513 380 W HA -0.334 4.326 4.660 -0.000 0.000 0.215 380 W C -0.803 175.814 176.519 0.162 0.000 0.928 380 W CA 1.446 58.901 57.345 0.182 0.000 0.473 380 W CB -0.554 29.033 29.460 0.212 0.000 1.889 380 W HN 0.549 nan 8.180 nan 0.000 0.736 381 Q N 0.809 120.663 119.800 0.090 0.000 2.413 381 Q HA 0.434 4.774 4.340 -0.000 0.000 0.276 381 Q C -2.300 173.692 176.000 -0.012 0.000 1.099 381 Q CA -1.830 53.939 55.803 -0.057 0.000 0.814 381 Q CB 1.394 30.135 28.738 0.005 0.000 1.379 381 Q HN -0.108 nan 8.270 nan 0.000 0.436 382 P HA 0.037 nan 4.420 nan 0.000 0.267 382 P C 0.498 177.716 177.300 -0.137 0.000 1.205 382 P CA 0.748 63.741 63.100 -0.178 0.000 0.765 382 P CB 0.253 31.742 31.700 -0.351 0.000 0.828 383 G N 2.673 111.405 108.800 -0.114 0.000 2.225 383 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 383 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 383 G C 0.016 174.914 174.900 -0.003 0.000 1.024 383 G CA -0.128 44.894 45.100 -0.129 0.000 0.784 383 G HN 0.615 nan 8.290 nan 0.000 0.507 384 L N 0.176 121.477 121.223 0.129 0.000 2.540 384 L HA 0.520 4.859 4.340 -0.000 0.000 0.276 384 L C 0.710 177.744 176.870 0.273 0.000 1.212 384 L CA 0.555 55.555 54.840 0.267 0.000 0.893 384 L CB 0.481 42.777 42.059 0.395 0.000 1.138 384 L HN 0.597 nan 8.230 nan 0.000 0.491 385 A N 6.226 129.222 122.820 0.293 0.000 2.387 385 A HA 0.799 5.119 4.320 -0.000 0.000 0.303 385 A C -0.839 176.770 177.584 0.041 0.000 1.145 385 A CA -0.744 51.395 52.037 0.171 0.000 0.801 385 A CB 1.123 20.151 19.000 0.047 0.000 1.342 385 A HN 0.692 nan 8.150 nan 0.000 0.440 386 I N 0.423 120.955 120.570 -0.063 0.000 2.433 386 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 386 I C -1.186 174.826 176.117 -0.174 0.000 1.001 386 I CA -0.475 60.775 61.300 -0.083 0.000 1.119 386 I CB 1.586 39.438 38.000 -0.247 0.000 1.289 386 I HN 0.638 nan 8.210 nan 0.000 0.438 387 Y N 3.566 123.768 120.300 -0.163 0.000 2.544 387 Y HA -0.027 4.523 4.550 -0.000 0.000 0.330 387 Y C 0.756 176.392 175.900 -0.440 0.000 1.136 387 Y CA 0.086 57.955 58.100 -0.385 0.000 1.417 387 Y CB 0.192 38.227 38.460 -0.709 0.000 1.229 387 Y HN 0.432 nan 8.280 nan 0.000 0.532 388 D N 4.528 124.891 120.400 -0.062 0.000 2.453 388 D HA 0.032 4.672 4.640 -0.000 0.000 0.223 388 D C 0.016 176.405 176.300 0.149 0.000 1.183 388 D CA 0.069 54.161 54.000 0.153 0.000 0.933 388 D CB -0.272 40.623 40.800 0.159 0.000 1.038 388 D HN 0.522 nan 8.370 nan 0.000 0.513 389 F N 1.005 121.133 119.950 0.297 0.000 2.816 389 F HA -0.049 4.478 4.527 -0.000 0.000 0.302 389 F C 2.401 178.224 175.800 0.038 0.000 1.178 389 F CA 0.273 58.293 58.000 0.033 0.000 1.421 389 F CB 0.183 39.070 39.000 -0.189 0.000 1.114 389 F HN 0.316 nan 8.300 nan 0.000 0.573 390 T N -3.487 111.259 114.554 0.319 0.000 3.107 390 T HA -0.015 4.335 4.350 -0.000 0.000 0.249 390 T C 0.647 175.478 174.700 0.219 0.000 1.096 390 T CA -0.179 62.079 62.100 0.264 0.000 1.012 390 T CB -0.317 68.742 68.868 0.318 0.000 0.977 390 T HN -0.002 nan 8.240 nan 0.000 0.527 391 N N 2.447 121.168 118.700 0.035 0.000 2.439 391 N HA 0.288 5.028 4.740 -0.000 0.000 0.249 391 N C -2.075 173.255 175.510 -0.299 0.000 1.003 391 N CA -2.395 50.365 53.050 -0.483 0.000 0.942 391 N CB 1.969 40.100 38.487 -0.593 0.000 1.115 391 N HN -0.028 nan 8.380 nan 0.000 0.505 392 P HA -0.090 nan 4.420 nan 0.000 0.216 392 P C 0.436 177.640 177.300 -0.161 0.000 1.150 392 P CA 1.137 64.168 63.100 -0.115 0.000 0.837 392 P CB 0.448 32.122 31.700 -0.042 0.000 0.786 393 D N -0.634 119.611 120.400 -0.257 0.000 2.178 393 D HA -0.082 4.557 4.640 -0.000 0.000 0.202 393 D C 1.986 177.871 176.300 -0.692 0.000 0.974 393 D CA 1.366 55.174 54.000 -0.321 0.000 0.841 393 D CB -0.623 40.087 40.800 -0.151 0.000 0.953 393 D HN 0.096 nan 8.370 nan 0.000 0.478 394 A N 0.560 122.921 122.820 -0.765 0.000 1.898 394 A HA -0.172 4.147 4.320 -0.000 0.000 0.216 394 A C 2.544 180.132 177.584 0.008 0.000 1.181 394 A CA 1.177 52.862 52.037 -0.586 0.000 0.620 394 A CB -0.916 17.948 19.000 -0.227 0.000 0.819 394 A HN 0.330 nan 8.150 nan 0.000 0.442 395 C N -0.722 118.617 119.300 0.065 0.000 2.413 395 C HA -0.089 4.371 4.460 -0.000 0.000 0.276 395 C C 2.689 177.728 174.990 0.080 0.000 1.236 395 C CA 1.394 60.489 59.018 0.130 0.000 1.735 395 C CB -1.060 26.686 27.740 0.009 0.000 2.031 395 C HN 0.745 nan 8.230 nan 0.000 0.474 396 K N -0.604 119.805 120.400 0.015 0.000 2.032 396 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 396 K C 1.979 178.623 176.600 0.074 0.000 1.048 396 K CA 2.101 58.398 56.287 0.017 0.000 0.927 396 K CB -0.395 32.109 32.500 0.006 0.000 0.712 396 K HN 0.674 nan 8.250 nan 0.000 0.441 397 W N 0.347 121.611 121.300 -0.061 0.000 2.333 397 W HA -0.300 4.360 4.660 -0.000 0.000 0.316 397 W C 1.990 178.535 176.519 0.042 0.000 1.215 397 W CA 2.028 59.396 57.345 0.038 0.000 1.278 397 W CB -0.544 28.993 29.460 0.129 0.000 1.154 397 W HN 0.205 nan 8.180 nan 0.000 0.486 398 Y N 0.787 121.266 120.300 0.298 0.000 2.114 398 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 398 Y C 2.496 178.230 175.900 -0.276 0.000 1.143 398 Y CA 2.979 61.120 58.100 0.068 0.000 1.135 398 Y CB -1.111 37.473 38.460 0.206 0.000 0.980 398 Y HN 0.008 nan 8.280 nan 0.000 0.499 399 A N -0.057 122.755 122.820 -0.014 0.000 1.948 399 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 399 A C 1.842 179.253 177.584 -0.288 0.000 1.177 399 A CA 2.242 54.179 52.037 -0.167 0.000 0.636 399 A CB -0.787 18.153 19.000 -0.101 0.000 0.815 399 A HN 0.567 nan 8.150 nan 0.000 0.449 400 D N -0.569 119.650 120.400 -0.302 0.000 2.194 400 D HA -0.051 4.589 4.640 -0.000 0.000 0.204 400 D C 1.877 177.906 176.300 -0.451 0.000 0.964 400 D CA 0.741 54.552 54.000 -0.315 0.000 0.846 400 D CB -0.150 40.495 40.800 -0.259 0.000 0.962 400 D HN 0.261 nan 8.370 nan 0.000 0.490 401 K N 0.666 120.636 120.400 -0.717 0.000 2.057 401 K HA -0.036 4.284 4.320 -0.000 0.000 0.207 401 K C 2.330 178.430 176.600 -0.833 0.000 1.049 401 K CA 0.385 56.130 56.287 -0.903 0.000 0.931 401 K CB -0.516 31.087 32.500 -1.496 0.000 0.714 401 K HN 0.253 nan 8.250 nan 0.000 0.440 402 L N 0.970 121.657 121.223 -0.893 0.000 2.046 402 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 402 L C 2.408 179.167 176.870 -0.186 0.000 1.077 402 L CA 1.366 55.841 54.840 -0.607 0.000 0.747 402 L CB -0.391 41.240 42.059 -0.714 0.000 0.896 402 L HN 0.155 nan 8.230 nan 0.000 0.432 403 K N 0.069 120.344 120.400 -0.207 0.000 2.097 403 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 403 K C 2.146 178.697 176.600 -0.082 0.000 1.049 403 K CA 1.248 57.472 56.287 -0.105 0.000 0.933 403 K CB -0.468 31.961 32.500 -0.119 0.000 0.717 403 K HN 0.410 nan 8.250 nan 0.000 0.442 404 G N 1.255 109.980 108.800 -0.125 0.000 2.432 404 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 404 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 404 G C 1.451 176.347 174.900 -0.008 0.000 1.135 404 G CA 0.552 45.609 45.100 -0.072 0.000 0.767 404 G HN 0.095 nan 8.290 nan 0.000 0.550 405 L N 0.087 121.325 121.223 0.024 0.000 2.072 405 L HA -0.012 4.328 4.340 -0.000 0.000 0.205 405 L C 2.952 179.841 176.870 0.032 0.000 1.079 405 L CA 0.239 55.139 54.840 0.099 0.000 0.752 405 L CB -0.441 41.753 42.059 0.226 0.000 0.906 405 L HN 0.052 nan 8.230 nan 0.000 0.436 406 V N 0.328 120.269 119.914 0.045 0.000 2.392 406 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 406 V C 2.688 178.745 176.094 -0.063 0.000 1.059 406 V CA 1.900 64.175 62.300 -0.043 0.000 1.051 406 V CB -0.916 30.898 31.823 -0.016 0.000 0.658 406 V HN 0.497 nan 8.190 nan 0.000 0.455 407 A N -1.262 121.531 122.820 -0.045 0.000 2.014 407 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 407 A C 2.176 179.723 177.584 -0.061 0.000 1.163 407 A CA 1.553 53.558 52.037 -0.054 0.000 0.652 407 A CB -0.460 18.512 19.000 -0.046 0.000 0.808 407 A HN 0.497 nan 8.150 nan 0.000 0.449 408 M N -1.379 118.188 119.600 -0.056 0.000 2.557 408 M HA 0.090 4.569 4.480 -0.000 0.000 0.259 408 M C 1.256 177.486 176.300 -0.117 0.000 1.086 408 M CA 1.142 56.394 55.300 -0.081 0.000 1.096 408 M CB 0.153 32.722 32.600 -0.050 0.000 1.424 408 M HN 0.616 nan 8.290 nan 0.000 0.488 409 G N -0.034 108.695 108.800 -0.118 0.000 2.168 409 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.197 409 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.197 409 G C -0.084 174.707 174.900 -0.181 0.000 0.997 409 G CA -0.106 44.906 45.100 -0.147 0.000 0.658 409 G HN 0.270 nan 8.290 nan 0.000 0.513 410 V N 1.805 121.606 119.914 -0.188 0.000 2.585 410 V HA 0.194 4.314 4.120 -0.000 0.000 0.296 410 V C 1.184 177.078 176.094 -0.334 0.000 1.035 410 V CA 0.849 62.986 62.300 -0.271 0.000 1.084 410 V CB 1.247 32.879 31.823 -0.319 0.000 0.953 410 V HN 0.343 nan 8.190 nan 0.000 0.483 411 D N 2.368 122.565 120.400 -0.339 0.000 2.301 411 D HA 0.104 4.744 4.640 -0.000 0.000 0.206 411 D C 0.489 176.631 176.300 -0.262 0.000 0.979 411 D CA 0.900 54.726 54.000 -0.290 0.000 0.874 411 D CB 0.630 41.212 40.800 -0.363 0.000 0.968 411 D HN 0.758 nan 8.370 nan 0.000 0.510 412 C N -1.398 117.664 119.300 -0.397 0.000 3.321 412 C HA 0.735 5.195 4.460 -0.000 0.000 0.329 412 C C -1.481 173.226 174.990 -0.472 0.000 1.394 412 C CA -1.411 57.432 59.018 -0.291 0.000 1.291 412 C CB 0.692 28.535 27.740 0.173 0.000 1.606 412 C HN -0.019 nan 8.230 nan 0.000 0.463 413 F N 0.759 120.793 119.950 0.139 0.000 2.540 413 F HA 0.590 5.116 4.527 -0.000 0.000 0.317 413 F C 0.203 176.086 175.800 0.138 0.000 1.104 413 F CA -0.631 57.444 58.000 0.125 0.000 0.913 413 F CB 1.732 40.774 39.000 0.070 0.000 1.170 413 F HN 0.754 nan 8.300 nan 0.000 0.450 414 K N 2.267 122.868 120.400 0.335 0.000 2.273 414 K HA 0.215 4.535 4.320 -0.000 0.000 0.287 414 K C -0.410 176.257 176.600 0.113 0.000 1.089 414 K CA -0.288 56.098 56.287 0.165 0.000 0.909 414 K CB 0.426 32.929 32.500 0.006 0.000 1.123 414 K HN 0.738 nan 8.250 nan 0.000 0.473 415 T N 1.340 115.958 114.554 0.106 0.000 3.176 415 T HA 0.090 4.440 4.350 -0.000 0.000 0.301 415 T C -0.049 174.733 174.700 0.136 0.000 1.115 415 T CA -0.925 61.194 62.100 0.032 0.000 1.027 415 T CB 0.355 69.055 68.868 -0.281 0.000 1.063 415 T HN 0.436 nan 8.240 nan 0.000 0.669 416 D N 1.504 121.958 120.400 0.090 0.000 2.354 416 D HA 0.471 5.110 4.640 -0.000 0.000 0.247 416 D C 0.646 177.068 176.300 0.203 0.000 1.138 416 D CA -0.732 53.354 54.000 0.143 0.000 0.958 416 D CB 0.175 41.088 40.800 0.188 0.000 1.144 416 D HN 0.455 nan 8.370 nan 0.000 0.458 417 F N -0.202 119.722 119.950 -0.044 0.000 2.182 417 F HA -0.194 4.333 4.527 -0.000 0.000 0.318 417 F C 1.806 177.637 175.800 0.052 0.000 0.129 417 F CA 1.298 59.261 58.000 -0.062 0.000 0.911 417 F CB -1.448 37.382 39.000 -0.283 0.000 4.131 417 F HN 0.586 nan 8.300 nan 0.000 0.140 418 G N -1.029 107.925 108.800 0.258 0.000 2.176 418 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.232 418 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.232 418 G C 0.603 175.664 174.900 0.268 0.000 0.986 418 G CA 0.742 46.033 45.100 0.320 0.000 0.643 418 G HN 0.960 nan 8.290 nan 0.000 0.522 419 E N 0.667 121.030 120.200 0.271 0.000 2.099 419 E HA 0.094 4.444 4.350 -0.000 0.000 0.191 419 E C 1.485 178.088 176.600 0.004 0.000 0.962 419 E CA 0.212 56.675 56.400 0.105 0.000 0.826 419 E CB -0.397 29.400 29.700 0.162 0.000 0.788 419 E HN 0.487 nan 8.360 nan 0.000 0.461 420 R N 1.622 122.251 120.500 0.215 0.000 4.164 420 R HA 0.227 4.567 4.340 -0.000 0.000 0.195 420 R C -0.358 175.879 176.300 -0.106 0.000 1.712 420 R CA -0.165 56.055 56.100 0.200 0.000 1.457 420 R CB -0.151 30.429 30.300 0.467 0.000 1.387 420 R HN 0.083 nan 8.270 nan 0.000 0.785 421 I N 4.028 124.487 120.570 -0.185 0.000 2.315 421 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 421 I C -1.699 174.323 176.117 -0.158 0.000 1.006 421 I CA -3.414 57.691 61.300 -0.326 0.000 1.265 421 I CB 0.819 38.624 38.000 -0.324 0.000 1.387 421 I HN 0.116 nan 8.210 nan 0.000 0.475 422 P HA 0.196 nan 4.420 nan 0.000 0.274 422 P C 0.429 177.629 177.300 -0.166 0.000 1.237 422 P CA -0.102 62.735 63.100 -0.438 0.000 0.793 422 P CB 0.969 32.004 31.700 -1.109 0.000 0.977 423 T N -3.834 110.730 114.554 0.016 0.000 3.023 423 T HA 0.035 4.385 4.350 -0.000 0.000 0.253 423 T C 0.399 175.132 174.700 0.056 0.000 1.038 423 T CA -0.118 62.051 62.100 0.115 0.000 0.962 423 T CB -0.560 68.437 68.868 0.214 0.000 1.018 423 T HN 0.361 nan 8.240 nan 0.000 0.521 424 D N 2.922 123.334 120.400 0.020 0.000 2.994 424 D HA 0.343 4.983 4.640 -0.000 0.000 0.240 424 D C 0.427 176.729 176.300 0.003 0.000 1.195 424 D CA -0.499 53.531 54.000 0.050 0.000 0.957 424 D CB -0.024 40.842 40.800 0.110 0.000 1.105 424 D HN 0.499 nan 8.370 nan 0.000 0.477 425 V N -3.362 116.503 119.914 -0.081 0.000 3.182 425 V HA 0.611 4.731 4.120 -0.000 0.000 0.308 425 V C -1.252 174.731 176.094 -0.184 0.000 1.240 425 V CA -1.228 60.947 62.300 -0.207 0.000 1.063 425 V CB 2.081 33.584 31.823 -0.533 0.000 1.076 425 V HN 0.158 nan 8.190 nan 0.000 0.446 426 Q N 0.351 120.007 119.800 -0.240 0.000 2.290 426 Q HA 0.435 4.775 4.340 -0.000 0.000 0.269 426 Q C -1.939 173.967 176.000 -0.157 0.000 1.016 426 Q CA -0.472 55.264 55.803 -0.112 0.000 0.754 426 Q CB 1.720 30.441 28.738 -0.030 0.000 1.247 426 Q HN 0.805 nan 8.270 nan 0.000 0.451 427 W N 3.318 124.652 121.300 0.056 0.000 2.218 427 W HA 0.150 4.809 4.660 -0.000 0.000 0.326 427 W C 1.115 177.719 176.519 0.142 0.000 1.276 427 W CA -0.504 56.904 57.345 0.105 0.000 1.210 427 W CB 0.393 29.920 29.460 0.112 0.000 1.143 427 W HN 0.751 nan 8.180 nan 0.000 0.563 428 F N 2.647 122.767 119.950 0.283 0.000 2.115 428 F HA -0.368 4.159 4.527 -0.000 0.000 0.300 428 F C 2.168 178.077 175.800 0.182 0.000 1.092 428 F CA 2.444 60.558 58.000 0.190 0.000 1.245 428 F CB -0.055 39.055 39.000 0.184 0.000 0.995 428 F HN 0.394 nan 8.300 nan 0.000 0.481 429 D N -0.813 119.815 120.400 0.379 0.000 2.328 429 D HA 0.108 4.747 4.640 -0.000 0.000 0.226 429 D C 1.625 178.003 176.300 0.130 0.000 1.066 429 D CA 0.745 54.874 54.000 0.215 0.000 0.861 429 D CB -0.665 40.295 40.800 0.267 0.000 0.912 429 D HN 0.437 nan 8.370 nan 0.000 0.521 430 G N 0.049 108.945 108.800 0.159 0.000 2.179 430 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 430 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 430 G C 0.327 175.312 174.900 0.142 0.000 1.010 430 G CA 0.336 45.515 45.100 0.131 0.000 0.736 430 G HN 0.429 nan 8.290 nan 0.000 0.513 431 S N 0.147 115.945 115.700 0.164 0.000 2.558 431 S HA 0.226 4.696 4.470 -0.000 0.000 0.287 431 S C 0.610 175.278 174.600 0.114 0.000 1.321 431 S CA 0.261 58.496 58.200 0.057 0.000 1.048 431 S CB 0.738 63.863 63.200 -0.124 0.000 0.844 431 S HN 0.492 nan 8.310 nan 0.000 0.512 432 D N 2.823 123.251 120.400 0.047 0.000 2.368 432 D HA 0.095 4.735 4.640 -0.000 0.000 0.268 432 D C -1.545 174.835 176.300 0.134 0.000 1.298 432 D CA -1.796 52.257 54.000 0.088 0.000 0.938 432 D CB 0.851 41.680 40.800 0.048 0.000 1.101 432 D HN 0.107 nan 8.370 nan 0.000 0.509 433 P HA -0.154 nan 4.420 nan 0.000 0.219 433 P C 1.183 178.672 177.300 0.316 0.000 1.146 433 P CA 0.910 64.248 63.100 0.396 0.000 0.808 433 P CB 0.288 32.206 31.700 0.364 0.000 0.779 434 Q N -0.281 119.675 119.800 0.259 0.000 2.224 434 Q HA -0.078 4.262 4.340 -0.000 0.000 0.203 434 Q C 1.854 178.051 176.000 0.328 0.000 0.970 434 Q CA 1.308 57.309 55.803 0.331 0.000 0.865 434 Q CB -0.308 28.561 28.738 0.218 0.000 0.922 434 Q HN 0.417 nan 8.270 nan 0.000 0.445 435 K N -0.618 119.887 120.400 0.175 0.000 2.211 435 K HA 0.128 4.448 4.320 -0.000 0.000 0.201 435 K C 1.945 178.582 176.600 0.061 0.000 1.052 435 K CA 0.177 56.516 56.287 0.087 0.000 0.973 435 K CB 0.152 32.623 32.500 -0.048 0.000 0.766 435 K HN 0.085 nan 8.250 nan 0.000 0.466 436 M N 0.338 119.943 119.600 0.008 0.000 2.296 436 M HA -0.127 4.353 4.480 -0.000 0.000 0.265 436 M C 1.964 178.280 176.300 0.027 0.000 1.064 436 M CA 1.545 56.778 55.300 -0.112 0.000 1.109 436 M CB -0.852 31.402 32.600 -0.578 0.000 1.396 436 M HN 0.241 nan 8.290 nan 0.000 0.430 437 H N 1.111 120.177 119.070 -0.008 0.000 2.289 437 H HA -0.145 4.411 4.556 -0.000 0.000 0.296 437 H C 1.752 176.982 175.328 -0.163 0.000 1.091 437 H CA 2.437 58.378 56.048 -0.178 0.000 1.274 437 H CB 0.173 29.568 29.762 -0.612 0.000 1.364 437 H HN 0.310 nan 8.280 nan 0.000 0.490 438 N N -0.916 117.753 118.700 -0.051 0.000 2.251 438 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 438 N C 1.808 177.422 175.510 0.174 0.000 1.019 438 N CA 1.180 54.250 53.050 0.035 0.000 0.862 438 N CB -0.544 38.074 38.487 0.219 0.000 0.992 438 N HN 0.493 nan 8.380 nan 0.000 0.429 439 H N -0.222 118.913 119.070 0.107 0.000 2.491 439 H HA -0.045 4.511 4.556 -0.000 0.000 0.290 439 H C 1.738 177.162 175.328 0.160 0.000 1.050 439 H CA 1.007 57.142 56.048 0.146 0.000 1.309 439 H CB -0.278 29.515 29.762 0.051 0.000 1.392 439 H HN 0.238 nan 8.280 nan 0.000 0.554 440 Y N 0.339 120.616 120.300 -0.037 0.000 2.181 440 Y HA -0.337 4.213 4.550 -0.000 0.000 0.284 440 Y C 2.530 178.469 175.900 0.064 0.000 1.179 440 Y CA 1.913 59.988 58.100 -0.041 0.000 1.179 440 Y CB -0.598 37.840 38.460 -0.037 0.000 0.973 440 Y HN 0.326 nan 8.280 nan 0.000 0.519 441 A N -0.932 122.028 122.820 0.233 0.000 1.972 441 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 441 A C 2.066 179.702 177.584 0.087 0.000 1.169 441 A CA 1.649 53.829 52.037 0.237 0.000 0.635 441 A CB -1.384 17.744 19.000 0.212 0.000 0.810 441 A HN 0.744 nan 8.150 nan 0.000 0.446 442 Y N 0.517 120.760 120.300 -0.095 0.000 2.163 442 Y HA -0.148 4.402 4.550 -0.000 0.000 0.288 442 Y C 2.033 177.768 175.900 -0.275 0.000 1.136 442 Y CA 1.614 59.629 58.100 -0.143 0.000 1.147 442 Y CB -0.070 38.248 38.460 -0.237 0.000 0.987 442 Y HN 0.219 nan 8.280 nan 0.000 0.509 443 I N 0.073 120.431 120.570 -0.354 0.000 2.286 443 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 443 I C 2.351 178.141 176.117 -0.545 0.000 1.115 443 I CA 1.749 62.801 61.300 -0.413 0.000 1.392 443 I CB -1.601 36.219 38.000 -0.300 0.000 1.065 443 I HN 0.439 nan 8.210 nan 0.000 0.418 444 Y N 2.270 122.176 120.300 -0.655 0.000 2.109 444 Y HA -0.226 4.323 4.550 -0.000 0.000 0.285 444 Y C 2.554 178.101 175.900 -0.589 0.000 1.131 444 Y CA 1.616 59.290 58.100 -0.710 0.000 1.121 444 Y CB -0.174 38.029 38.460 -0.429 0.000 0.987 444 Y HN 0.138 nan 8.280 nan 0.000 0.495 445 N N 0.736 118.978 118.700 -0.763 0.000 2.166 445 N HA -0.228 4.512 4.740 -0.000 0.000 0.186 445 N C 1.819 176.741 175.510 -0.980 0.000 1.019 445 N CA 1.627 54.211 53.050 -0.777 0.000 0.856 445 N CB -0.387 37.836 38.487 -0.440 0.000 0.993 445 N HN 0.633 nan 8.380 nan 0.000 0.426 446 E N 1.428 120.870 120.200 -1.263 0.000 2.077 446 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 446 E C 2.207 178.354 176.600 -0.756 0.000 0.989 446 E CA 0.602 56.117 56.400 -1.474 0.000 0.800 446 E CB -0.128 28.886 29.700 -1.143 0.000 0.746 446 E HN 0.278 nan 8.360 nan 0.000 0.452 447 L N 0.591 121.437 121.223 -0.628 0.000 2.017 447 L HA -0.173 4.166 4.340 -0.000 0.000 0.208 447 L C 2.366 179.021 176.870 -0.358 0.000 1.073 447 L CA 1.258 55.814 54.840 -0.474 0.000 0.745 447 L CB -0.156 41.514 42.059 -0.648 0.000 0.894 447 L HN 0.099 nan 8.230 nan 0.000 0.432 448 V N -0.713 118.973 119.914 -0.380 0.000 2.307 448 V HA -0.309 3.811 4.120 -0.000 0.000 0.245 448 V C 2.153 178.172 176.094 -0.125 0.000 1.045 448 V CA 2.122 64.283 62.300 -0.233 0.000 1.024 448 V CB -1.000 30.682 31.823 -0.236 0.000 0.651 448 V HN 0.723 nan 8.190 nan 0.000 0.449 449 W N 1.586 122.660 121.300 -0.377 0.000 2.338 449 W HA -0.220 4.440 4.660 -0.000 0.000 0.304 449 W C 2.220 178.628 176.519 -0.185 0.000 1.212 449 W CA 2.096 59.279 57.345 -0.271 0.000 1.264 449 W CB -0.416 28.768 29.460 -0.459 0.000 1.142 449 W HN 0.349 nan 8.180 nan 0.000 0.512 450 N N 0.474 119.144 118.700 -0.051 0.000 2.244 450 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 450 N C 1.776 177.217 175.510 -0.116 0.000 1.016 450 N CA 1.590 54.603 53.050 -0.061 0.000 0.866 450 N CB -0.787 37.666 38.487 -0.056 0.000 0.980 450 N HN 0.049 nan 8.380 nan 0.000 0.430 451 V N 1.385 121.222 119.914 -0.129 0.000 2.255 451 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 451 V C 2.332 178.367 176.094 -0.098 0.000 1.051 451 V CA 1.236 63.473 62.300 -0.104 0.000 1.018 451 V CB -0.427 31.334 31.823 -0.103 0.000 0.641 451 V HN 0.178 nan 8.190 nan 0.000 0.445 452 L N 0.125 121.267 121.223 -0.134 0.000 2.017 452 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 452 L C 2.441 179.165 176.870 -0.244 0.000 1.073 452 L CA 2.246 56.977 54.840 -0.182 0.000 0.745 452 L CB -1.304 40.591 42.059 -0.273 0.000 0.894 452 L HN 0.439 nan 8.230 nan 0.000 0.432 453 K N -0.346 119.855 120.400 -0.332 0.000 2.063 453 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 453 K C 1.410 177.941 176.600 -0.115 0.000 1.048 453 K CA 1.904 58.052 56.287 -0.232 0.000 0.928 453 K CB -0.087 32.310 32.500 -0.171 0.000 0.713 453 K HN 0.242 nan 8.250 nan 0.000 0.442 454 D N -0.501 119.841 120.400 -0.096 0.000 2.347 454 D HA -0.063 4.577 4.640 -0.000 0.000 0.215 454 D C 1.493 177.756 176.300 -0.061 0.000 0.976 454 D CA 1.481 55.443 54.000 -0.063 0.000 0.884 454 D CB 0.420 41.186 40.800 -0.056 0.000 0.915 454 D HN 0.585 nan 8.370 nan 0.000 0.526 455 T N -2.683 111.827 114.554 -0.073 0.000 3.182 455 T HA 0.007 4.357 4.350 -0.000 0.000 0.244 455 T C 1.924 176.586 174.700 -0.063 0.000 0.981 455 T CA 0.536 62.599 62.100 -0.062 0.000 1.182 455 T CB -0.514 68.321 68.868 -0.055 0.000 1.043 455 T HN 0.001 nan 8.240 nan 0.000 0.424 456 V N -0.308 119.560 119.914 -0.076 0.000 3.406 456 V HA 0.611 4.731 4.120 -0.000 0.000 0.263 456 V C 1.284 177.347 176.094 -0.052 0.000 1.172 456 V CA 0.035 62.298 62.300 -0.062 0.000 1.140 456 V CB -1.327 30.462 31.823 -0.057 0.000 0.784 456 V HN 1.131 nan 8.190 nan 0.000 0.467 457 G N 0.445 109.202 108.800 -0.071 0.000 2.692 457 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 457 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 457 G C 0.110 174.958 174.900 -0.088 0.000 1.243 457 G CA 0.173 45.239 45.100 -0.057 0.000 0.782 457 G HN 0.409 nan 8.290 nan 0.000 0.625 458 E N 0.152 120.319 120.200 -0.055 0.000 2.118 458 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 458 E C 2.243 178.829 176.600 -0.023 0.000 0.992 458 E CA 2.106 58.480 56.400 -0.044 0.000 0.804 458 E CB 0.028 29.766 29.700 0.062 0.000 0.741 458 E HN 0.703 nan 8.360 nan 0.000 0.458 459 E N 0.200 120.408 120.200 0.013 0.000 2.347 459 E HA -0.113 4.236 4.350 -0.000 0.000 0.196 459 E C 1.320 177.933 176.600 0.021 0.000 1.008 459 E CA 0.780 57.207 56.400 0.045 0.000 0.852 459 E CB 0.084 29.822 29.700 0.063 0.000 0.783 459 E HN 0.171 nan 8.360 nan 0.000 0.505 460 E N 0.444 120.640 120.200 -0.008 0.000 2.481 460 E HA 0.249 4.599 4.350 -0.000 0.000 0.198 460 E C 0.024 176.589 176.600 -0.058 0.000 1.027 460 E CA 0.251 56.678 56.400 0.045 0.000 0.900 460 E CB 0.540 30.308 29.700 0.113 0.000 0.993 460 E HN 0.296 nan 8.360 nan 0.000 0.482 461 A N 1.310 123.974 122.820 -0.261 0.000 2.450 461 A HA 0.397 4.717 4.320 -0.000 0.000 0.255 461 A C -0.031 177.299 177.584 -0.424 0.000 1.096 461 A CA -0.091 51.602 52.037 -0.572 0.000 0.778 461 A CB 0.680 18.848 19.000 -1.386 0.000 1.031 461 A HN 0.023 nan 8.150 nan 0.000 0.494 462 V N 3.907 123.691 119.914 -0.216 0.000 3.077 462 V HA 0.624 4.744 4.120 -0.000 0.000 0.299 462 V C -1.237 174.952 176.094 0.159 0.000 1.276 462 V CA -0.595 61.728 62.300 0.038 0.000 0.993 462 V CB 1.972 33.767 31.823 -0.046 0.000 1.076 462 V HN 0.892 nan 8.190 nan 0.000 0.434 463 L N 3.954 125.299 121.223 0.202 0.000 2.283 463 L HA 0.665 5.005 4.340 -0.000 0.000 0.259 463 L C -1.536 175.401 176.870 0.112 0.000 1.027 463 L CA -0.669 54.280 54.840 0.182 0.000 0.828 463 L CB 2.376 44.518 42.059 0.139 0.000 1.380 463 L HN 0.619 nan 8.230 nan 0.000 0.425 464 F N 1.250 121.139 119.950 -0.101 0.000 2.430 464 F HA 0.623 5.150 4.527 -0.000 0.000 0.362 464 F C 0.106 175.932 175.800 0.044 0.000 1.103 464 F CA -0.551 57.328 58.000 -0.203 0.000 1.045 464 F CB 1.375 40.092 39.000 -0.472 0.000 1.276 464 F HN 0.370 nan 8.300 nan 0.000 0.444 465 A N 4.946 127.737 122.820 -0.049 0.000 2.317 465 A HA 0.570 4.890 4.320 -0.000 0.000 0.327 465 A C 0.915 178.394 177.584 -0.174 0.000 1.178 465 A CA -0.583 51.402 52.037 -0.086 0.000 0.817 465 A CB 1.103 19.863 19.000 -0.398 0.000 1.189 465 A HN 0.887 nan 8.150 nan 0.000 0.489 466 R N 0.839 121.148 120.500 -0.319 0.000 2.156 466 R HA 0.080 4.420 4.340 -0.000 0.000 0.207 466 R C 0.448 176.505 176.300 -0.405 0.000 1.040 466 R CA 1.297 56.898 56.100 -0.831 0.000 1.013 466 R CB 0.121 29.755 30.300 -1.109 0.000 0.931 466 R HN 0.827 nan 8.270 nan 0.000 0.465 467 S N -0.934 114.703 115.700 -0.106 0.000 2.704 467 S HA 0.874 5.344 4.470 -0.000 0.000 0.305 467 S C -0.692 173.979 174.600 0.119 0.000 1.107 467 S CA -0.645 57.579 58.200 0.041 0.000 0.993 467 S CB 2.297 65.566 63.200 0.116 0.000 1.110 467 S HN 0.241 nan 8.310 nan 0.000 0.534 468 A N 0.039 122.925 122.820 0.110 0.000 2.586 468 A HA 0.907 5.227 4.320 -0.000 0.000 0.290 468 A C -0.616 177.073 177.584 0.175 0.000 1.086 468 A CA -0.513 51.620 52.037 0.160 0.000 0.665 468 A CB 1.141 20.122 19.000 -0.031 0.000 1.279 468 A HN 1.401 nan 8.150 nan 0.000 0.423 469 S N -1.097 114.759 115.700 0.260 0.000 2.611 469 S HA 0.555 5.025 4.470 -0.000 0.000 0.268 469 S C -1.053 173.654 174.600 0.179 0.000 1.156 469 S CA -0.189 58.159 58.200 0.246 0.000 0.817 469 S CB 1.140 64.525 63.200 0.309 0.000 1.122 469 S HN 1.607 nan 8.310 nan 0.000 0.466 470 V N 2.932 122.814 119.914 -0.054 0.000 2.644 470 V HA 0.393 4.513 4.120 -0.000 0.000 0.305 470 V C 1.841 177.756 176.094 -0.299 0.000 1.053 470 V CA 2.138 64.236 62.300 -0.337 0.000 1.186 470 V CB 0.023 31.202 31.823 -1.073 0.000 0.895 470 V HN 1.647 nan 8.190 nan 0.000 0.490 471 G N 4.265 112.863 108.800 -0.335 0.000 2.284 471 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.230 471 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.230 471 G C 0.993 175.795 174.900 -0.163 0.000 1.021 471 G CA 0.306 45.232 45.100 -0.289 0.000 0.619 471 G HN 1.415 nan 8.290 nan 0.000 0.510 472 A N 1.120 123.976 122.820 0.060 0.000 2.209 472 A HA 0.173 4.493 4.320 -0.000 0.000 0.212 472 A C 2.208 179.674 177.584 -0.197 0.000 1.158 472 A CA 2.093 54.201 52.037 0.118 0.000 0.742 472 A CB -0.381 18.878 19.000 0.433 0.000 0.790 472 A HN 0.950 nan 8.150 nan 0.000 0.472 473 Q N 0.726 120.094 119.800 -0.720 0.000 2.364 473 Q HA -0.163 4.177 4.340 -0.000 0.000 0.209 473 Q C 1.126 176.738 176.000 -0.646 0.000 0.977 473 Q CA 1.604 56.842 55.803 -0.942 0.000 0.885 473 Q CB -0.512 27.296 28.738 -1.551 0.000 0.941 473 Q HN 0.650 nan 8.270 nan 0.000 0.464 474 K N 0.139 119.982 120.400 -0.928 0.000 2.360 474 K HA -0.038 4.282 4.320 -0.000 0.000 0.201 474 K C -0.214 175.546 176.600 -1.401 0.000 1.046 474 K CA 0.642 56.239 56.287 -1.150 0.000 0.945 474 K CB 0.029 31.661 32.500 -1.448 0.000 0.750 474 K HN 0.185 nan 8.250 nan 0.000 0.464 475 F N 1.319 120.876 119.950 -0.655 0.000 2.532 475 F HA 0.277 4.804 4.527 -0.000 0.000 0.313 475 F C -2.305 173.269 175.800 -0.376 0.000 1.301 475 F CA -3.623 53.816 58.000 -0.934 0.000 1.154 475 F CB -0.037 38.618 39.000 -0.576 0.000 1.335 475 F HN -0.177 nan 8.300 nan 0.000 0.542 476 P HA 0.252 nan 4.420 nan 0.000 0.272 476 P C -0.202 177.028 177.300 -0.116 0.000 1.230 476 P CA 0.105 63.210 63.100 0.008 0.000 0.788 476 P CB 1.957 33.665 31.700 0.014 0.000 0.949 477 V N 0.150 119.936 119.914 -0.213 0.000 2.958 477 V HA -0.129 3.991 4.120 -0.000 0.000 0.430 477 V C -0.860 174.877 176.094 -0.595 0.000 0.682 477 V CA 0.005 62.027 62.300 -0.464 0.000 1.961 477 V CB -2.220 29.119 31.823 -0.807 0.000 2.456 477 V HN 0.760 nan 8.190 nan 0.000 0.486 478 H N 3.332 122.247 119.070 -0.260 0.000 2.492 478 H HA 0.738 5.294 4.556 -0.000 0.000 0.345 478 H C -0.114 175.002 175.328 -0.353 0.000 1.136 478 H CA 0.167 56.090 56.048 -0.208 0.000 1.202 478 H CB 1.410 31.140 29.762 -0.054 0.000 1.524 478 H HN 0.831 nan 8.280 nan 0.000 0.506 479 W N 1.902 122.899 121.300 -0.505 0.000 2.781 479 W HA 0.544 5.204 4.660 -0.000 0.000 0.345 479 W C 0.352 176.737 176.519 -0.222 0.000 1.085 479 W CA -1.355 55.624 57.345 -0.609 0.000 1.198 479 W CB 1.060 30.138 29.460 -0.637 0.000 1.423 479 W HN 0.644 nan 8.180 nan 0.000 0.532 480 G N 1.824 110.508 108.800 -0.194 0.000 2.990 480 G HA2 0.342 4.302 3.960 -0.000 0.000 0.206 480 G HA3 0.342 4.302 3.960 -0.000 0.000 0.206 480 G C 0.775 175.669 174.900 -0.009 0.000 1.169 480 G CA 0.504 45.766 45.100 0.269 0.000 0.819 480 G HN 1.595 nan 8.290 nan 0.000 0.517 481 G N 0.423 108.741 108.800 -0.803 0.000 2.525 481 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.248 481 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.248 481 G C -0.616 174.249 174.900 -0.058 0.000 1.238 481 G CA -0.049 44.619 45.100 -0.720 0.000 0.926 481 G HN 0.238 nan 8.290 nan 0.000 0.574 482 D N 1.677 122.059 120.400 -0.031 0.000 2.524 482 D HA 0.453 5.093 4.640 -0.000 0.000 0.222 482 D C 1.223 177.636 176.300 0.188 0.000 1.142 482 D CA 0.431 54.396 54.000 -0.058 0.000 0.973 482 D CB -0.554 40.156 40.800 -0.151 0.000 1.025 482 D HN 0.845 nan 8.370 nan 0.000 0.519 483 C N 0.470 119.931 119.300 0.270 0.000 2.396 483 C HA 0.586 5.045 4.460 -0.000 0.000 0.359 483 C C 0.383 175.555 174.990 0.303 0.000 1.307 483 C CA -0.970 58.262 59.018 0.358 0.000 2.392 483 C CB -0.163 27.881 27.740 0.506 0.000 2.245 483 C HN 0.401 nan 8.230 nan 0.000 0.615 484 Y N -0.649 119.856 120.300 0.343 0.000 2.457 484 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 484 Y C 0.855 176.964 175.900 0.348 0.000 1.119 484 Y CA -0.284 57.985 58.100 0.283 0.000 1.143 484 Y CB 1.407 40.000 38.460 0.221 0.000 1.230 484 Y HN 0.909 nan 8.280 nan 0.000 0.469 485 A N 3.364 126.378 122.820 0.324 0.000 3.048 485 A HA 0.249 4.569 4.320 -0.000 0.000 0.264 485 A C -0.648 177.119 177.584 0.305 0.000 1.796 485 A CA -0.096 52.113 52.037 0.287 0.000 1.445 485 A CB -1.771 17.295 19.000 0.111 0.000 1.074 485 A HN 0.778 nan 8.150 nan 0.000 0.621 486 N N -2.559 116.384 118.700 0.405 0.000 2.732 486 N HA 0.411 5.151 4.740 -0.000 0.000 0.259 486 N C -0.109 175.526 175.510 0.208 0.000 1.402 486 N CA -0.810 52.358 53.050 0.196 0.000 0.829 486 N CB 0.328 38.931 38.487 0.195 0.000 1.495 486 N HN -0.074 nan 8.380 nan 0.000 0.511 487 Y N -0.228 120.230 120.300 0.263 0.000 2.242 487 Y HA 0.011 4.561 4.550 -0.000 0.000 0.291 487 Y C 1.644 177.648 175.900 0.174 0.000 1.137 487 Y CA 1.192 59.440 58.100 0.247 0.000 1.181 487 Y CB -0.337 38.299 38.460 0.294 0.000 0.989 487 Y HN 0.653 nan 8.280 nan 0.000 0.527 488 E N -0.614 119.754 120.200 0.279 0.000 2.085 488 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 488 E C 2.464 179.160 176.600 0.160 0.000 0.994 488 E CA 1.572 58.063 56.400 0.152 0.000 0.801 488 E CB -0.466 29.308 29.700 0.123 0.000 0.743 488 E HN 0.187 nan 8.360 nan 0.000 0.453 489 S N -0.543 115.297 115.700 0.234 0.000 2.414 489 S HA -0.046 4.423 4.470 -0.000 0.000 0.227 489 S C 1.866 176.632 174.600 0.277 0.000 1.022 489 S CA 0.866 59.246 58.200 0.300 0.000 0.958 489 S CB -0.162 63.303 63.200 0.441 0.000 0.797 489 S HN 0.280 nan 8.310 nan 0.000 0.493 490 M N 1.097 120.715 119.600 0.030 0.000 2.106 490 M HA -0.131 4.349 4.480 -0.000 0.000 0.259 490 M C 2.034 178.391 176.300 0.095 0.000 1.068 490 M CA 1.867 56.916 55.300 -0.418 0.000 1.100 490 M CB -0.428 31.751 32.600 -0.702 0.000 1.351 490 M HN 0.445 nan 8.290 nan 0.000 0.404 491 A N 0.801 123.724 122.820 0.170 0.000 1.873 491 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 491 A C 1.936 179.571 177.584 0.084 0.000 1.186 491 A CA 1.806 53.845 52.037 0.004 0.000 0.616 491 A CB -1.052 17.736 19.000 -0.353 0.000 0.823 491 A HN 0.781 nan 8.150 nan 0.000 0.442 492 E N 0.093 120.382 120.200 0.148 0.000 2.110 492 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 492 E C 1.916 178.763 176.600 0.412 0.000 0.988 492 E CA 1.648 58.193 56.400 0.241 0.000 0.804 492 E CB -0.454 29.385 29.700 0.232 0.000 0.745 492 E HN 0.453 nan 8.360 nan 0.000 0.458 493 S N 1.312 117.275 115.700 0.438 0.000 2.356 493 S HA -0.139 4.331 4.470 -0.000 0.000 0.223 493 S C 1.901 176.816 174.600 0.525 0.000 1.032 493 S CA 1.136 59.723 58.200 0.645 0.000 1.005 493 S CB -0.445 63.176 63.200 0.702 0.000 0.867 493 S HN 0.252 nan 8.310 nan 0.000 0.449 494 L N 2.430 123.873 121.223 0.366 0.000 2.043 494 L HA -0.123 4.216 4.340 -0.000 0.000 0.212 494 L C 2.231 179.075 176.870 -0.043 0.000 1.075 494 L CA 1.741 56.677 54.840 0.161 0.000 0.752 494 L CB -0.576 41.493 42.059 0.016 0.000 0.891 494 L HN 0.155 nan 8.230 nan 0.000 0.432 495 R N -0.662 119.851 120.500 0.022 0.000 2.091 495 R HA -0.133 4.206 4.340 -0.000 0.000 0.238 495 R C 2.211 178.394 176.300 -0.195 0.000 1.136 495 R CA 1.223 57.291 56.100 -0.052 0.000 0.959 495 R CB -1.046 29.261 30.300 0.012 0.000 0.856 495 R HN 0.608 nan 8.270 nan 0.000 0.437 496 G N 0.342 109.032 108.800 -0.182 0.000 2.421 496 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 496 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 496 G C 1.531 175.995 174.900 -0.725 0.000 1.171 496 G CA 0.887 45.696 45.100 -0.485 0.000 0.775 496 G HN 0.461 nan 8.290 nan 0.000 0.543 497 G N 0.804 108.889 108.800 -1.192 0.000 2.440 497 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 497 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 497 G C 1.837 176.179 174.900 -0.930 0.000 1.154 497 G CA 0.816 44.672 45.100 -2.072 0.000 0.767 497 G HN 0.421 nan 8.290 nan 0.000 0.552 498 L N 0.697 121.583 121.223 -0.562 0.000 2.017 498 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 498 L C 3.225 179.925 176.870 -0.282 0.000 1.073 498 L CA 1.306 55.955 54.840 -0.318 0.000 0.745 498 L CB -0.410 41.544 42.059 -0.175 0.000 0.894 498 L HN 0.177 nan 8.230 nan 0.000 0.432 499 S N -0.085 115.431 115.700 -0.307 0.000 2.382 499 S HA -0.182 4.288 4.470 -0.000 0.000 0.228 499 S C 1.960 176.405 174.600 -0.257 0.000 1.027 499 S CA 1.262 59.314 58.200 -0.247 0.000 0.991 499 S CB -0.283 62.748 63.200 -0.281 0.000 0.823 499 S HN 0.341 nan 8.310 nan 0.000 0.469 500 I N 1.328 121.671 120.570 -0.378 0.000 2.493 500 I HA -0.115 4.055 4.170 -0.000 0.000 0.254 500 I C 2.203 178.250 176.117 -0.116 0.000 1.160 500 I CA 0.949 62.055 61.300 -0.322 0.000 1.445 500 I CB -0.482 37.230 38.000 -0.479 0.000 1.086 500 I HN 0.382 nan 8.210 nan 0.000 0.433 501 G N 0.702 109.403 108.800 -0.165 0.000 2.403 501 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 501 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 501 G C 1.488 176.344 174.900 -0.072 0.000 1.154 501 G CA 0.181 45.220 45.100 -0.101 0.000 0.784 501 G HN 0.376 nan 8.290 nan 0.000 0.538 502 L N 1.213 122.388 121.223 -0.080 0.000 2.622 502 L HA 0.101 4.440 4.340 -0.000 0.000 0.233 502 L C 1.663 178.578 176.870 0.074 0.000 1.156 502 L CA 0.380 55.202 54.840 -0.029 0.000 0.866 502 L CB 0.322 42.350 42.059 -0.051 0.000 0.980 502 L HN 0.088 nan 8.230 nan 0.000 0.448 503 S N -0.941 114.794 115.700 0.058 0.000 2.730 503 S HA 0.393 4.863 4.470 -0.000 0.000 0.244 503 S C 1.218 175.845 174.600 0.045 0.000 1.022 503 S CA 0.399 58.660 58.200 0.102 0.000 1.014 503 S CB 1.192 64.462 63.200 0.117 0.000 0.963 503 S HN 0.524 nan 8.310 nan 0.000 0.540 504 G N 1.176 109.975 108.800 -0.001 0.000 2.211 504 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.201 504 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.201 504 G C -0.152 174.588 174.900 -0.266 0.000 0.997 504 G CA -0.742 44.298 45.100 -0.100 0.000 0.652 504 G HN 0.421 nan 8.290 nan 0.000 0.500 505 F N 1.181 121.025 119.950 -0.176 0.000 2.410 505 F HA 0.566 5.093 4.527 -0.000 0.000 0.349 505 F C 1.584 177.263 175.800 -0.202 0.000 1.117 505 F CA 0.224 58.113 58.000 -0.184 0.000 1.104 505 F CB 1.998 40.870 39.000 -0.213 0.000 1.122 505 F HN 0.012 nan 8.300 nan 0.000 0.483 506 G N 2.820 111.532 108.800 -0.146 0.000 2.603 506 G HA2 0.073 4.033 3.960 -0.000 0.000 0.214 506 G HA3 0.073 4.033 3.960 -0.000 0.000 0.214 506 G C -0.250 174.163 174.900 -0.811 0.000 1.140 506 G CA 0.368 45.125 45.100 -0.572 0.000 0.800 506 G HN 0.377 nan 8.290 nan 0.000 0.533 507 F N -1.860 118.180 119.950 0.150 0.000 2.581 507 F HA 0.622 5.149 4.527 -0.000 0.000 0.311 507 F C -1.098 174.822 175.800 0.201 0.000 1.113 507 F CA -1.501 56.588 58.000 0.149 0.000 0.935 507 F CB 1.935 40.926 39.000 -0.015 0.000 1.232 507 F HN 0.040 nan 8.300 nan 0.000 0.445 508 W N 2.487 123.866 121.300 0.132 0.000 3.425 508 W HA 0.679 5.339 4.660 -0.000 0.000 0.318 508 W C -1.390 175.152 176.519 0.038 0.000 1.201 508 W CA -0.611 56.758 57.345 0.040 0.000 1.212 508 W CB 2.055 31.538 29.460 0.038 0.000 1.355 508 W HN 0.527 nan 8.180 nan 0.000 0.515 509 S N 2.177 117.355 115.700 -0.870 0.000 2.745 509 S HA 0.865 5.335 4.470 -0.000 0.000 0.306 509 S C -1.381 172.534 174.600 -1.142 0.000 1.137 509 S CA -0.381 57.307 58.200 -0.854 0.000 0.900 509 S CB 1.094 63.932 63.200 -0.602 0.000 1.176 509 S HN 0.706 nan 8.310 nan 0.000 0.520 510 H N -1.092 117.602 119.070 -0.626 0.000 3.037 510 H HA 0.481 5.037 4.556 -0.000 0.000 0.336 510 H C -2.125 173.165 175.328 -0.064 0.000 1.323 510 H CA -0.993 54.891 56.048 -0.273 0.000 1.159 510 H CB 0.009 29.630 29.762 -0.235 0.000 1.882 510 H HN 0.278 nan 8.280 nan 0.000 0.535 511 D N 1.835 122.298 120.400 0.105 0.000 2.344 511 D HA 0.181 4.821 4.640 -0.000 0.000 0.253 511 D C 0.261 176.305 176.300 -0.428 0.000 1.255 511 D CA -0.046 53.902 54.000 -0.086 0.000 0.894 511 D CB 0.547 41.394 40.800 0.078 0.000 1.067 511 D HN 0.416 nan 8.370 nan 0.000 0.492 512 I N 1.623 121.907 120.570 -0.477 0.000 2.598 512 I HA 0.109 4.279 4.170 -0.000 0.000 0.284 512 I C 1.668 177.307 176.117 -0.798 0.000 1.140 512 I CA 0.570 61.449 61.300 -0.701 0.000 1.420 512 I CB 0.451 38.222 38.000 -0.381 0.000 1.387 512 I HN 0.669 nan 8.210 nan 0.000 0.553 513 G N 3.955 112.015 108.800 -1.233 0.000 2.194 513 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.236 513 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.236 513 G C 0.549 175.012 174.900 -0.727 0.000 0.987 513 G CA -0.142 44.587 45.100 -0.618 0.000 0.635 513 G HN 1.589 nan 8.290 nan 0.000 0.520 514 G N -1.638 106.382 108.800 -1.300 0.000 2.785 514 G HA2 0.185 4.145 3.960 -0.000 0.000 0.686 514 G HA3 0.185 4.145 3.960 -0.000 0.000 0.686 514 G C 0.194 174.953 174.900 -0.234 0.000 1.155 514 G CA 0.191 44.885 45.100 -0.678 0.000 0.760 514 G HN 1.505 nan 8.290 nan 0.000 0.624 515 F N 1.363 121.193 119.950 -0.200 0.000 2.074 515 F HA 0.349 4.876 4.527 -0.000 0.000 0.290 515 F C 1.434 177.124 175.800 -0.182 0.000 1.118 515 F CA 1.645 59.549 58.000 -0.161 0.000 1.199 515 F CB 0.197 39.171 39.000 -0.044 0.000 1.012 515 F HN 0.614 nan 8.300 nan 0.000 0.472 516 E N 1.740 121.712 120.200 -0.380 0.000 2.249 516 E HA 0.272 4.622 4.350 -0.000 0.000 0.280 516 E C -0.911 175.489 176.600 -0.334 0.000 1.016 516 E CA -0.182 55.860 56.400 -0.596 0.000 0.830 516 E CB 0.274 29.439 29.700 -0.892 0.000 1.081 516 E HN 0.506 nan 8.360 nan 0.000 0.395 517 N N 1.412 119.990 118.700 -0.203 0.000 5.666 517 N HA -0.123 4.617 4.740 -0.000 0.000 0.384 517 N C -1.324 174.151 175.510 -0.059 0.000 1.377 517 N CA 0.535 53.557 53.050 -0.045 0.000 2.414 517 N CB -0.460 38.095 38.487 0.112 0.000 0.602 517 N HN 0.436 nan 8.380 nan 0.000 0.643 518 T N 0.933 115.474 114.554 -0.023 0.000 2.743 518 T HA 0.556 4.906 4.350 -0.000 0.000 0.292 518 T C 0.386 175.134 174.700 0.080 0.000 0.972 518 T CA -0.222 61.879 62.100 0.001 0.000 0.967 518 T CB 1.080 69.903 68.868 -0.075 0.000 0.926 518 T HN 0.637 nan 8.240 nan 0.000 0.459 519 A N 5.965 128.890 122.820 0.175 0.000 2.498 519 A HA 0.453 4.773 4.320 -0.000 0.000 0.239 519 A C -2.041 175.631 177.584 0.146 0.000 1.068 519 A CA -1.059 51.064 52.037 0.143 0.000 0.766 519 A CB -0.415 18.662 19.000 0.128 0.000 1.003 519 A HN 0.485 nan 8.150 nan 0.000 0.497 520 P HA 0.140 nan 4.420 nan 0.000 0.268 520 P C 0.918 178.215 177.300 -0.004 0.000 1.208 520 P CA 0.658 63.743 63.100 -0.025 0.000 0.777 520 P CB 0.572 32.131 31.700 -0.235 0.000 0.875 521 A N 2.451 125.337 122.820 0.109 0.000 1.940 521 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 521 A C 1.908 179.494 177.584 0.002 0.000 1.176 521 A CA 2.285 54.381 52.037 0.098 0.000 0.631 521 A CB -1.852 17.209 19.000 0.102 0.000 0.814 521 A HN 0.848 nan 8.150 nan 0.000 0.446 522 H N -1.781 117.314 119.070 0.041 0.000 2.353 522 H HA -0.022 4.533 4.556 -0.000 0.000 0.300 522 H C 1.600 177.094 175.328 0.277 0.000 1.090 522 H CA 1.435 57.547 56.048 0.107 0.000 1.327 522 H CB -0.778 29.243 29.762 0.431 0.000 1.383 522 H HN 0.114 nan 8.280 nan 0.000 0.508 523 V N 0.651 120.463 119.914 -0.168 0.000 2.307 523 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 523 V C 2.350 178.540 176.094 0.159 0.000 1.045 523 V CA 2.040 64.261 62.300 -0.132 0.000 1.024 523 V CB -0.926 30.624 31.823 -0.454 0.000 0.651 523 V HN 0.484 nan 8.190 nan 0.000 0.449 524 Y N 1.239 121.474 120.300 -0.109 0.000 2.128 524 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 524 Y C 2.543 178.414 175.900 -0.048 0.000 1.154 524 Y CA 2.025 59.993 58.100 -0.220 0.000 1.149 524 Y CB -0.208 37.762 38.460 -0.817 0.000 0.976 524 Y HN 0.143 nan 8.280 nan 0.000 0.505 525 K N -0.348 120.090 120.400 0.063 0.000 2.032 525 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 525 K C 2.141 178.856 176.600 0.192 0.000 1.048 525 K CA 1.496 57.826 56.287 0.072 0.000 0.927 525 K CB -0.162 32.284 32.500 -0.091 0.000 0.712 525 K HN 0.192 nan 8.250 nan 0.000 0.441 526 R N 0.293 120.997 120.500 0.339 0.000 2.091 526 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 526 R C 1.963 178.400 176.300 0.228 0.000 1.136 526 R CA 1.039 57.329 56.100 0.317 0.000 0.959 526 R CB -0.694 29.869 30.300 0.439 0.000 0.856 526 R HN 0.483 nan 8.270 nan 0.000 0.437 527 W N 0.917 122.266 121.300 0.081 0.000 2.402 527 W HA -0.141 4.519 4.660 -0.000 0.000 0.286 527 W C 2.030 178.525 176.519 -0.040 0.000 1.221 527 W CA 0.197 57.603 57.345 0.101 0.000 1.257 527 W CB -0.561 28.926 29.460 0.045 0.000 1.120 527 W HN 0.055 nan 8.180 nan 0.000 0.551 528 C N 0.279 119.593 119.300 0.024 0.000 2.413 528 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 528 C C 3.093 178.003 174.990 -0.133 0.000 1.248 528 C CA 1.809 60.758 59.018 -0.116 0.000 1.742 528 C CB -1.540 26.090 27.740 -0.185 0.000 2.017 528 C HN 0.370 nan 8.230 nan 0.000 0.481 529 A N 0.237 122.857 122.820 -0.333 0.000 1.883 529 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 529 A C 1.975 179.439 177.584 -0.200 0.000 1.186 529 A CA 1.950 53.467 52.037 -0.866 0.000 0.624 529 A CB -0.920 17.549 19.000 -0.885 0.000 0.822 529 A HN 0.530 nan 8.150 nan 0.000 0.444 530 F N 1.386 121.274 119.950 -0.102 0.000 2.095 530 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 530 F C 2.248 178.220 175.800 0.287 0.000 1.104 530 F CA 1.489 59.552 58.000 0.104 0.000 1.232 530 F CB -1.085 37.936 39.000 0.035 0.000 0.987 530 F HN 0.162 nan 8.300 nan 0.000 0.475 531 G N 0.707 109.572 108.800 0.110 0.000 2.403 531 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.216 531 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.216 531 G C 1.567 176.454 174.900 -0.022 0.000 1.154 531 G CA 0.536 45.575 45.100 -0.103 0.000 0.784 531 G HN 0.342 nan 8.290 nan 0.000 0.538 532 L N 0.102 121.357 121.223 0.054 0.000 2.465 532 L HA 0.162 4.502 4.340 -0.000 0.000 0.224 532 L C 1.337 178.326 176.870 0.197 0.000 1.145 532 L CA 0.770 55.688 54.840 0.130 0.000 0.834 532 L CB -0.406 41.767 42.059 0.191 0.000 0.944 532 L HN 0.141 nan 8.230 nan 0.000 0.451 533 L N -1.276 120.091 121.223 0.240 0.000 3.062 533 L HA 0.249 4.589 4.340 -0.000 0.000 0.255 533 L C 0.595 177.733 176.870 0.448 0.000 1.274 533 L CA 0.171 55.217 54.840 0.342 0.000 1.047 533 L CB -0.325 41.948 42.059 0.356 0.000 1.402 533 L HN -0.020 nan 8.230 nan 0.000 0.550 534 S N -1.459 114.429 115.700 0.312 0.000 2.664 534 S HA 0.343 4.812 4.470 -0.000 0.000 0.304 534 S C 1.287 176.032 174.600 0.242 0.000 1.099 534 S CA 0.057 58.435 58.200 0.296 0.000 1.003 534 S CB 1.970 65.302 63.200 0.220 0.000 1.092 534 S HN 0.388 nan 8.310 nan 0.000 0.525 535 S N 0.857 116.729 115.700 0.288 0.000 2.359 535 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 535 S C 0.180 174.760 174.600 -0.033 0.000 1.035 535 S CA 1.305 59.695 58.200 0.318 0.000 1.018 535 S CB -0.507 63.024 63.200 0.553 0.000 0.876 535 S HN 0.762 nan 8.310 nan 0.000 0.448 536 H N 0.127 119.182 119.070 -0.026 0.000 2.529 536 H HA 0.698 5.253 4.556 -0.000 0.000 0.348 536 H C -1.092 174.115 175.328 -0.201 0.000 1.079 536 H CA -0.440 55.508 56.048 -0.167 0.000 1.198 536 H CB 2.029 31.588 29.762 -0.337 0.000 1.521 536 H HN 0.152 nan 8.280 nan 0.000 0.514 537 S N 3.177 118.833 115.700 -0.073 0.000 2.640 537 S HA 0.486 4.956 4.470 -0.000 0.000 0.320 537 S C -0.489 174.071 174.600 -0.066 0.000 1.097 537 S CA -0.862 57.282 58.200 -0.093 0.000 1.092 537 S CB 1.037 64.256 63.200 0.032 0.000 0.988 537 S HN 0.549 nan 8.310 nan 0.000 0.470 538 R N 3.162 123.545 120.500 -0.196 0.000 2.574 538 R HA 0.474 4.814 4.340 -0.000 0.000 0.288 538 R C -1.667 174.530 176.300 -0.171 0.000 1.004 538 R CA -0.693 55.299 56.100 -0.181 0.000 0.895 538 R CB 0.867 30.911 30.300 -0.427 0.000 1.191 538 R HN 0.577 nan 8.270 nan 0.000 0.444 539 L N 4.807 125.980 121.223 -0.084 0.000 2.295 539 L HA 0.348 4.688 4.340 -0.000 0.000 0.288 539 L C -0.574 176.293 176.870 -0.005 0.000 1.079 539 L CA -0.315 54.488 54.840 -0.062 0.000 0.830 539 L CB 0.555 42.605 42.059 -0.015 0.000 1.200 539 L HN 0.587 nan 8.230 nan 0.000 0.438 540 H N 2.348 121.339 119.070 -0.132 0.000 2.947 540 H HA 0.707 5.263 4.556 -0.000 0.000 0.354 540 H C -0.665 174.683 175.328 0.033 0.000 1.085 540 H CA -0.507 55.501 56.048 -0.066 0.000 1.253 540 H CB 1.953 31.623 29.762 -0.152 0.000 1.757 540 H HN 0.531 nan 8.280 nan 0.000 0.523 541 G N 1.578 110.092 108.800 -0.477 0.000 2.574 541 G HA2 0.371 4.331 3.960 -0.000 0.000 0.299 541 G HA3 0.371 4.331 3.960 -0.000 0.000 0.299 541 G C 0.012 174.580 174.900 -0.554 0.000 1.298 541 G CA -0.071 44.783 45.100 -0.411 0.000 0.952 541 G HN 0.621 nan 8.290 nan 0.000 0.477 542 S N -0.268 114.922 115.700 -0.850 0.000 2.341 542 S HA 0.046 4.515 4.470 -0.000 0.000 0.216 542 S C 1.722 176.163 174.600 -0.264 0.000 1.034 542 S CA 1.260 58.983 58.200 -0.796 0.000 0.964 542 S CB -0.152 62.231 63.200 -1.362 0.000 0.882 542 S HN 0.492 nan 8.310 nan 0.000 0.469 543 K N 0.546 120.760 120.400 -0.310 0.000 2.438 543 K HA 0.264 4.584 4.320 -0.000 0.000 0.206 543 K C -0.276 176.138 176.600 -0.309 0.000 1.081 543 K CA -0.074 56.065 56.287 -0.248 0.000 1.053 543 K CB 1.273 33.656 32.500 -0.195 0.000 0.908 543 K HN 0.394 nan 8.250 nan 0.000 0.556 544 S N -0.747 114.751 115.700 -0.336 0.000 2.627 544 S HA 0.486 4.955 4.470 -0.000 0.000 0.283 544 S C -0.765 173.613 174.600 -0.370 0.000 1.127 544 S CA -0.975 56.986 58.200 -0.398 0.000 0.863 544 S CB 0.698 63.722 63.200 -0.293 0.000 1.121 544 S HN -0.024 nan 8.310 nan 0.000 0.479 545 Y N 0.672 120.884 120.300 -0.146 0.000 2.314 545 Y HA 0.487 5.037 4.550 -0.000 0.000 0.334 545 Y C 1.791 177.557 175.900 -0.223 0.000 1.266 545 Y CA -0.883 57.113 58.100 -0.174 0.000 1.391 545 Y CB 0.590 38.910 38.460 -0.233 0.000 1.306 545 Y HN 0.560 nan 8.280 nan 0.000 0.558 546 R N 0.719 121.198 120.500 -0.034 0.000 2.437 546 R HA 0.156 4.496 4.340 -0.000 0.000 0.257 546 R C -0.567 175.673 176.300 -0.099 0.000 0.927 546 R CA -0.063 56.057 56.100 0.034 0.000 1.078 546 R CB -0.441 29.895 30.300 0.060 0.000 1.161 546 R HN 0.540 nan 8.270 nan 0.000 0.529 547 V N 0.793 120.406 119.914 -0.501 0.000 2.694 547 V HA 0.045 4.165 4.120 -0.000 0.000 0.306 547 V C -1.205 174.500 176.094 -0.647 0.000 1.054 547 V CA -1.076 60.706 62.300 -0.864 0.000 1.161 547 V CB 0.371 31.038 31.823 -1.926 0.000 0.916 547 V HN -0.028 nan 8.190 nan 0.000 0.490 548 P HA -0.143 nan 4.420 nan 0.000 0.216 548 P C 1.307 178.620 177.300 0.020 0.000 1.150 548 P CA 2.203 65.314 63.100 0.019 0.000 0.843 548 P CB -0.192 31.675 31.700 0.279 0.000 0.787 549 W N -0.398 120.909 121.300 0.012 0.000 2.825 549 W HA 0.405 5.065 4.660 -0.000 0.000 0.243 549 W C 1.668 178.149 176.519 -0.063 0.000 1.293 549 W CA 0.431 57.770 57.345 -0.010 0.000 1.403 549 W CB -1.576 27.876 29.460 -0.013 0.000 1.134 549 W HN -0.121 nan 8.180 nan 0.000 0.666 550 A N -0.405 122.186 122.820 -0.382 0.000 2.206 550 A HA 0.045 4.365 4.320 -0.000 0.000 0.211 550 A C 1.216 178.476 177.584 -0.541 0.000 1.158 550 A CA 0.829 52.606 52.037 -0.433 0.000 0.761 550 A CB -0.664 17.979 19.000 -0.595 0.000 0.801 550 A HN 0.490 nan 8.150 nan 0.000 0.473 551 Y N 0.147 120.280 120.300 -0.279 0.000 2.333 551 Y HA 0.270 4.820 4.550 -0.000 0.000 0.287 551 Y C 0.558 176.401 175.900 -0.095 0.000 1.149 551 Y CA 0.413 58.366 58.100 -0.245 0.000 1.193 551 Y CB 0.369 38.560 38.460 -0.449 0.000 1.175 551 Y HN 0.499 nan 8.280 nan 0.000 0.518 552 D N -2.995 117.477 120.400 0.120 0.000 2.738 552 D HA 0.070 4.710 4.640 -0.000 0.000 0.308 552 D C -0.357 176.025 176.300 0.137 0.000 1.311 552 D CA -0.432 53.632 54.000 0.107 0.000 0.799 552 D CB 0.157 41.011 40.800 0.090 0.000 1.332 552 D HN -0.139 nan 8.370 nan 0.000 0.441 553 D N -0.265 120.209 120.400 0.124 0.000 2.144 553 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 553 D C 1.391 177.774 176.300 0.138 0.000 0.978 553 D CA 1.061 55.140 54.000 0.132 0.000 0.833 553 D CB 0.180 41.041 40.800 0.101 0.000 0.961 553 D HN 0.657 nan 8.370 nan 0.000 0.470 554 E N 0.666 120.941 120.200 0.125 0.000 2.153 554 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 554 E C 1.799 178.492 176.600 0.155 0.000 0.988 554 E CA 0.779 57.260 56.400 0.134 0.000 0.811 554 E CB 0.200 29.975 29.700 0.124 0.000 0.746 554 E HN -0.010 nan 8.360 nan 0.000 0.466 555 S N -0.114 115.680 115.700 0.157 0.000 2.400 555 S HA -0.186 4.284 4.470 -0.000 0.000 0.232 555 S C 2.018 176.784 174.600 0.276 0.000 1.025 555 S CA 1.160 59.500 58.200 0.234 0.000 0.993 555 S CB -0.302 63.041 63.200 0.238 0.000 0.808 555 S HN 0.483 nan 8.310 nan 0.000 0.478 556 C N 1.732 121.181 119.300 0.248 0.000 2.435 556 C HA -0.018 4.442 4.460 -0.000 0.000 0.279 556 C C 2.347 177.468 174.990 0.218 0.000 1.321 556 C CA 0.105 59.277 59.018 0.255 0.000 1.752 556 C CB -1.163 26.725 27.740 0.246 0.000 1.959 556 C HN 0.535 nan 8.230 nan 0.000 0.500 557 D N 0.827 121.344 120.400 0.195 0.000 2.149 557 D HA -0.069 4.571 4.640 -0.000 0.000 0.201 557 D C 2.225 178.660 176.300 0.225 0.000 0.972 557 D CA 0.921 55.028 54.000 0.178 0.000 0.835 557 D CB -0.369 40.518 40.800 0.145 0.000 0.966 557 D HN 0.280 nan 8.370 nan 0.000 0.476 558 V N 0.801 120.878 119.914 0.271 0.000 2.261 558 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 558 V C 2.687 179.053 176.094 0.452 0.000 1.047 558 V CA 1.067 63.604 62.300 0.395 0.000 1.015 558 V CB -0.485 31.570 31.823 0.388 0.000 0.642 558 V HN 0.047 nan 8.190 nan 0.000 0.446 559 V N -0.084 120.027 119.914 0.329 0.000 2.332 559 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 559 V C 2.563 178.808 176.094 0.252 0.000 1.055 559 V CA 2.476 64.944 62.300 0.280 0.000 1.038 559 V CB -0.788 31.176 31.823 0.235 0.000 0.651 559 V HN 0.486 nan 8.190 nan 0.000 0.450 560 R N -0.772 119.859 120.500 0.217 0.000 2.070 560 R HA -0.197 4.143 4.340 -0.000 0.000 0.233 560 R C 2.318 178.674 176.300 0.095 0.000 1.137 560 R CA 2.144 58.333 56.100 0.148 0.000 0.945 560 R CB -0.447 29.931 30.300 0.130 0.000 0.845 560 R HN 0.478 nan 8.270 nan 0.000 0.430 561 F N 0.374 120.286 119.950 -0.062 0.000 2.095 561 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 561 F C 1.587 177.167 175.800 -0.367 0.000 1.104 561 F CA 1.717 59.546 58.000 -0.285 0.000 1.232 561 F CB -0.269 38.455 39.000 -0.460 0.000 0.987 561 F HN -0.014 nan 8.300 nan 0.000 0.475 562 F N -0.038 119.948 119.950 0.060 0.000 2.293 562 F HA -0.089 4.438 4.527 -0.000 0.000 0.297 562 F C 2.477 178.252 175.800 -0.043 0.000 1.089 562 F CA 1.491 59.475 58.000 -0.027 0.000 1.377 562 F CB -1.320 37.769 39.000 0.148 0.000 1.051 562 F HN -0.144 nan 8.300 nan 0.000 0.511 563 T N -0.541 114.112 114.554 0.164 0.000 2.777 563 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 563 T C 1.930 176.663 174.700 0.055 0.000 1.040 563 T CA 1.356 63.541 62.100 0.141 0.000 1.141 563 T CB -0.316 68.656 68.868 0.173 0.000 0.868 563 T HN 0.294 nan 8.240 nan 0.000 0.444 564 Q N 0.216 119.985 119.800 -0.052 0.000 2.061 564 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 564 Q C 2.374 178.266 176.000 -0.181 0.000 0.984 564 Q CA 1.202 56.932 55.803 -0.122 0.000 0.846 564 Q CB -0.426 28.188 28.738 -0.208 0.000 0.902 564 Q HN 0.305 nan 8.270 nan 0.000 0.421 565 L N 1.433 122.447 121.223 -0.349 0.000 2.013 565 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 565 L C 2.204 179.022 176.870 -0.087 0.000 1.073 565 L CA 1.969 56.604 54.840 -0.341 0.000 0.753 565 L CB -0.440 41.299 42.059 -0.534 0.000 0.890 565 L HN 0.055 nan 8.230 nan 0.000 0.432 566 K N -1.439 118.968 120.400 0.012 0.000 2.057 566 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 566 K C 2.144 178.801 176.600 0.095 0.000 1.050 566 K CA 1.621 57.964 56.287 0.094 0.000 0.935 566 K CB -0.301 32.288 32.500 0.147 0.000 0.715 566 K HN 0.516 nan 8.250 nan 0.000 0.439 567 C N 0.776 120.132 119.300 0.095 0.000 2.413 567 C HA -0.039 4.420 4.460 -0.000 0.000 0.277 567 C C 2.561 177.681 174.990 0.217 0.000 1.265 567 C CA 0.642 59.757 59.018 0.161 0.000 1.752 567 C CB -0.887 26.923 27.740 0.117 0.000 1.998 567 C HN 0.490 nan 8.230 nan 0.000 0.489 568 R N 0.295 120.852 120.500 0.096 0.000 2.115 568 R HA -0.023 4.317 4.340 -0.000 0.000 0.230 568 R C 1.925 178.281 176.300 0.093 0.000 1.111 568 R CA 1.165 57.325 56.100 0.099 0.000 0.976 568 R CB -0.292 30.003 30.300 -0.008 0.000 0.870 568 R HN 0.575 nan 8.270 nan 0.000 0.445 569 M N -0.003 119.634 119.600 0.063 0.000 2.618 569 M HA 0.016 4.496 4.480 -0.000 0.000 0.240 569 M C 1.647 177.941 176.300 -0.009 0.000 1.123 569 M CA 0.447 55.789 55.300 0.071 0.000 1.060 569 M CB 0.099 32.779 32.600 0.132 0.000 1.535 569 M HN 0.040 nan 8.290 nan 0.000 0.507 570 M N 0.311 119.853 119.600 -0.096 0.000 2.144 570 M HA -0.108 4.372 4.480 -0.000 0.000 0.260 570 M C -0.687 175.088 176.300 -0.875 0.000 1.067 570 M CA 1.879 56.928 55.300 -0.420 0.000 1.095 570 M CB -2.173 30.239 32.600 -0.314 0.000 1.365 570 M HN 0.013 nan 8.290 nan 0.000 0.406 571 P HA -0.192 nan 4.420 nan 0.000 0.215 571 P C 1.590 178.711 177.300 -0.299 0.000 1.153 571 P CA 1.274 64.009 63.100 -0.608 0.000 0.853 571 P CB -0.382 31.187 31.700 -0.219 0.000 0.788 572 Y N 0.475 120.628 120.300 -0.245 0.000 2.133 572 Y HA -0.160 4.390 4.550 -0.000 0.000 0.287 572 Y C 2.101 177.898 175.900 -0.172 0.000 1.134 572 Y CA 1.431 59.446 58.100 -0.141 0.000 1.133 572 Y CB -1.246 37.173 38.460 -0.068 0.000 0.987 572 Y HN -0.234 nan 8.280 nan 0.000 0.502 573 L N -1.309 119.695 121.223 -0.365 0.000 2.012 573 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 573 L C 2.328 178.927 176.870 -0.452 0.000 1.073 573 L CA 1.862 56.446 54.840 -0.426 0.000 0.748 573 L CB -0.945 40.991 42.059 -0.206 0.000 0.891 573 L HN 0.229 nan 8.230 nan 0.000 0.431 574 Y N 0.728 120.598 120.300 -0.717 0.000 2.274 574 Y HA -0.266 4.284 4.550 -0.000 0.000 0.290 574 Y C 2.799 178.462 175.900 -0.394 0.000 1.145 574 Y CA 1.555 59.242 58.100 -0.688 0.000 1.203 574 Y CB -0.178 37.705 38.460 -0.963 0.000 0.984 574 Y HN 0.040 nan 8.280 nan 0.000 0.533 575 R N 0.771 121.075 120.500 -0.326 0.000 2.096 575 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 575 R C 1.790 177.933 176.300 -0.262 0.000 1.127 575 R CA 1.857 57.816 56.100 -0.234 0.000 0.968 575 R CB -0.384 29.833 30.300 -0.139 0.000 0.861 575 R HN 0.196 nan 8.270 nan 0.000 0.440 576 E N 0.028 120.018 120.200 -0.350 0.000 2.208 576 E HA -0.030 4.320 4.350 -0.000 0.000 0.193 576 E C 1.793 178.278 176.600 -0.191 0.000 0.988 576 E CA 1.114 57.336 56.400 -0.297 0.000 0.828 576 E CB -0.204 29.235 29.700 -0.435 0.000 0.763 576 E HN 0.469 nan 8.360 nan 0.000 0.478 577 A N 1.445 124.154 122.820 -0.185 0.000 1.930 577 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 577 A C 2.383 179.951 177.584 -0.027 0.000 1.175 577 A CA 1.646 53.703 52.037 0.033 0.000 0.627 577 A CB -0.414 18.599 19.000 0.021 0.000 0.815 577 A HN 0.244 nan 8.150 nan 0.000 0.443 578 A N -0.574 122.111 122.820 -0.225 0.000 2.015 578 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 578 A C 2.177 179.706 177.584 -0.092 0.000 1.163 578 A CA 1.290 53.233 52.037 -0.157 0.000 0.646 578 A CB -0.434 18.458 19.000 -0.181 0.000 0.806 578 A HN 0.516 nan 8.150 nan 0.000 0.448 579 R N -0.608 119.827 120.500 -0.108 0.000 2.096 579 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 579 R C 2.425 178.663 176.300 -0.104 0.000 1.127 579 R CA 1.148 57.188 56.100 -0.100 0.000 0.968 579 R CB -0.339 29.893 30.300 -0.112 0.000 0.861 579 R HN 0.526 nan 8.270 nan 0.000 0.440 580 A N 1.230 123.979 122.820 -0.119 0.000 1.902 580 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 580 A C 1.919 179.450 177.584 -0.087 0.000 1.181 580 A CA 1.587 53.522 52.037 -0.170 0.000 0.623 580 A CB -0.711 18.054 19.000 -0.391 0.000 0.818 580 A HN 0.424 nan 8.150 nan 0.000 0.443 581 N N 0.226 118.924 118.700 -0.004 0.000 2.216 581 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 581 N C 1.840 177.319 175.510 -0.052 0.000 1.017 581 N CA 1.338 54.386 53.050 -0.003 0.000 0.861 581 N CB -0.169 38.342 38.487 0.040 0.000 0.986 581 N HN 0.350 nan 8.380 nan 0.000 0.428 582 A N 0.474 123.260 122.820 -0.057 0.000 1.970 582 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 582 A C 2.050 179.589 177.584 -0.075 0.000 1.170 582 A CA 0.746 52.746 52.037 -0.062 0.000 0.645 582 A CB 0.054 19.021 19.000 -0.055 0.000 0.816 582 A HN 0.279 nan 8.150 nan 0.000 0.447 583 R N -2.648 117.800 120.500 -0.087 0.000 2.541 583 R HA 0.214 4.554 4.340 -0.000 0.000 0.332 583 R C 0.870 177.106 176.300 -0.106 0.000 0.951 583 R CA 0.538 56.584 56.100 -0.090 0.000 1.136 583 R CB 0.678 30.930 30.300 -0.080 0.000 1.449 583 R HN 0.639 nan 8.270 nan 0.000 0.531 584 G N 1.977 110.701 108.800 -0.127 0.000 2.179 584 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 584 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 584 G C 0.082 174.894 174.900 -0.147 0.000 1.010 584 G CA 0.808 45.815 45.100 -0.154 0.000 0.736 584 G HN 0.236 nan 8.290 nan 0.000 0.513 585 T N 3.401 117.870 114.554 -0.140 0.000 2.752 585 T HA 0.457 4.807 4.350 -0.000 0.000 0.295 585 T C -1.456 173.134 174.700 -0.183 0.000 0.923 585 T CA -0.382 61.635 62.100 -0.139 0.000 1.112 585 T CB 1.815 70.612 68.868 -0.119 0.000 0.884 585 T HN 0.321 nan 8.240 nan 0.000 0.525 586 P HA 0.169 nan 4.420 nan 0.000 0.272 586 P C 0.760 177.951 177.300 -0.183 0.000 1.230 586 P CA -0.386 62.575 63.100 -0.231 0.000 0.788 586 P CB 0.865 32.468 31.700 -0.161 0.000 0.949 587 M N 0.441 119.919 119.600 -0.204 0.000 2.200 587 M HA -0.011 4.469 4.480 -0.000 0.000 0.265 587 M C 1.440 177.770 176.300 0.049 0.000 1.066 587 M CA 1.646 56.912 55.300 -0.056 0.000 1.127 587 M CB -0.078 32.541 32.600 0.032 0.000 1.379 587 M HN 0.371 nan 8.290 nan 0.000 0.420 588 M N 1.431 121.049 119.600 0.030 0.000 2.069 588 M HA 0.280 4.760 4.480 -0.000 0.000 0.349 588 M C -1.028 175.266 176.300 -0.009 0.000 1.194 588 M CA -0.063 55.255 55.300 0.030 0.000 1.081 588 M CB 0.444 32.981 32.600 -0.105 0.000 1.500 588 M HN -0.015 nan 8.290 nan 0.000 0.438 589 R N 3.652 124.200 120.500 0.080 0.000 2.514 589 R HA 0.690 5.030 4.340 -0.000 0.000 0.301 589 R C -0.261 176.077 176.300 0.064 0.000 0.962 589 R CA -0.710 55.406 56.100 0.027 0.000 0.882 589 R CB 1.682 31.996 30.300 0.024 0.000 1.143 589 R HN 0.827 nan 8.270 nan 0.000 0.452 590 A N 3.446 126.258 122.820 -0.015 0.000 2.483 590 A HA 0.038 4.358 4.320 -0.000 0.000 0.238 590 A C 1.353 178.954 177.584 0.027 0.000 1.070 590 A CA -0.213 51.819 52.037 -0.008 0.000 0.770 590 A CB 0.226 19.159 19.000 -0.111 0.000 1.008 590 A HN 0.779 nan 8.150 nan 0.000 0.497 591 M N 1.815 121.463 119.600 0.080 0.000 2.144 591 M HA -0.231 4.249 4.480 -0.000 0.000 0.260 591 M C 2.073 178.450 176.300 0.129 0.000 1.067 591 M CA 2.460 57.859 55.300 0.164 0.000 1.095 591 M CB -1.550 31.126 32.600 0.127 0.000 1.365 591 M HN 1.014 nan 8.290 nan 0.000 0.406 592 M N -0.736 118.847 119.600 -0.029 0.000 2.149 592 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 592 M C 2.121 178.334 176.300 -0.146 0.000 1.064 592 M CA 1.907 57.131 55.300 -0.126 0.000 1.102 592 M CB -0.992 31.395 32.600 -0.356 0.000 1.369 592 M HN 0.237 nan 8.290 nan 0.000 0.408 593 M N -0.440 119.059 119.600 -0.168 0.000 2.175 593 M HA -0.147 4.332 4.480 -0.000 0.000 0.264 593 M C 1.934 178.148 176.300 -0.144 0.000 1.063 593 M CA 2.002 57.204 55.300 -0.163 0.000 1.119 593 M CB -0.072 32.436 32.600 -0.152 0.000 1.377 593 M HN 0.489 nan 8.290 nan 0.000 0.415 594 E N -0.104 120.012 120.200 -0.139 0.000 2.170 594 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 594 E C -0.288 175.939 176.600 -0.620 0.000 0.981 594 E CA 1.021 57.202 56.400 -0.365 0.000 0.830 594 E CB 0.195 29.677 29.700 -0.363 0.000 0.775 594 E HN 0.497 nan 8.360 nan 0.000 0.470 595 F N 0.631 120.591 119.950 0.016 0.000 2.523 595 F HA 0.330 4.857 4.527 -0.000 0.000 0.322 595 F C -1.770 174.030 175.800 -0.000 0.000 1.361 595 F CA -1.851 56.171 58.000 0.036 0.000 1.151 595 F CB 1.589 40.644 39.000 0.090 0.000 1.391 595 F HN -0.003 nan 8.300 nan 0.000 0.566 596 P HA -0.130 nan 4.420 nan 0.000 0.222 596 P C 0.569 177.893 177.300 0.040 0.000 1.147 596 P CA 1.375 64.481 63.100 0.010 0.000 0.790 596 P CB 0.414 32.095 31.700 -0.031 0.000 0.780 597 D N -0.697 119.750 120.400 0.077 0.000 2.340 597 D HA -0.015 4.625 4.640 -0.000 0.000 0.220 597 D C 0.293 176.645 176.300 0.087 0.000 1.039 597 D CA 0.587 54.631 54.000 0.074 0.000 0.866 597 D CB -0.105 40.740 40.800 0.075 0.000 0.913 597 D HN 0.164 nan 8.370 nan 0.000 0.523 598 D N 1.368 121.836 120.400 0.113 0.000 2.396 598 D HA 0.074 4.713 4.640 -0.000 0.000 0.225 598 D C -1.400 174.918 176.300 0.030 0.000 1.121 598 D CA -2.108 51.948 54.000 0.094 0.000 0.853 598 D CB 1.922 42.806 40.800 0.141 0.000 1.043 598 D HN -0.072 nan 8.370 nan 0.000 0.500 599 P HA -0.124 nan 4.420 nan 0.000 0.221 599 P C 0.979 178.260 177.300 -0.032 0.000 1.145 599 P CA 0.577 63.682 63.100 0.009 0.000 0.795 599 P CB 0.244 31.960 31.700 0.026 0.000 0.775 600 A N -0.655 122.085 122.820 -0.133 0.000 2.121 600 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 600 A C 2.219 179.559 177.584 -0.408 0.000 1.154 600 A CA 1.211 53.036 52.037 -0.353 0.000 0.679 600 A CB -1.514 16.998 19.000 -0.813 0.000 0.795 600 A HN 0.272 nan 8.150 nan 0.000 0.458 601 C N -0.361 118.797 119.300 -0.237 0.000 2.594 601 C HA 0.052 4.512 4.460 -0.000 0.000 0.265 601 C C 1.867 176.840 174.990 -0.029 0.000 1.351 601 C CA 0.046 58.995 59.018 -0.115 0.000 1.744 601 C CB -0.899 26.841 27.740 0.001 0.000 1.890 601 C HN 0.577 nan 8.230 nan 0.000 0.551 602 D N 1.094 121.479 120.400 -0.025 0.000 2.133 602 D HA -0.176 4.463 4.640 -0.000 0.000 0.192 602 D C 1.217 177.414 176.300 -0.171 0.000 1.001 602 D CA 1.845 55.785 54.000 -0.101 0.000 0.844 602 D CB -0.295 40.361 40.800 -0.241 0.000 0.944 602 D HN 0.587 nan 8.370 nan 0.000 0.447 603 Y N -0.185 120.163 120.300 0.080 0.000 2.458 603 Y HA 0.275 4.825 4.550 -0.000 0.000 0.256 603 Y C 0.582 176.534 175.900 0.086 0.000 1.159 603 Y CA -0.405 57.740 58.100 0.075 0.000 1.261 603 Y CB 0.098 38.578 38.460 0.034 0.000 1.119 603 Y HN -0.178 nan 8.280 nan 0.000 0.524 604 L N 2.983 124.315 121.223 0.182 0.000 2.562 604 L HA -0.019 4.321 4.340 -0.000 0.000 0.271 604 L C 0.458 177.401 176.870 0.122 0.000 1.167 604 L CA 0.508 55.433 54.840 0.142 0.000 0.917 604 L CB 0.331 42.422 42.059 0.054 0.000 1.187 604 L HN 0.344 nan 8.230 nan 0.000 0.482 605 D N 1.691 122.164 120.400 0.122 0.000 2.516 605 D HA 0.007 4.647 4.640 -0.000 0.000 0.241 605 D C 1.072 177.414 176.300 0.071 0.000 1.246 605 D CA -0.214 53.836 54.000 0.083 0.000 0.808 605 D CB 0.342 41.180 40.800 0.064 0.000 1.147 605 D HN 0.416 nan 8.370 nan 0.000 0.527 606 R N 0.483 121.046 120.500 0.104 0.000 2.509 606 R HA 0.227 4.567 4.340 -0.000 0.000 0.300 606 R C 0.300 176.721 176.300 0.201 0.000 0.985 606 R CA 0.015 56.196 56.100 0.135 0.000 1.092 606 R CB 0.724 31.078 30.300 0.090 0.000 1.237 606 R HN 0.371 nan 8.270 nan 0.000 0.546 607 Q N -0.193 119.700 119.800 0.154 0.000 2.590 607 Q HA 0.434 4.774 4.340 -0.000 0.000 0.295 607 Q C -1.434 174.688 176.000 0.204 0.000 0.973 607 Q CA -1.197 54.659 55.803 0.089 0.000 0.768 607 Q CB 1.614 30.339 28.738 -0.021 0.000 1.479 607 Q HN 0.074 nan 8.270 nan 0.000 0.419 608 Y N -2.083 118.227 120.300 0.015 0.000 2.656 608 Y HA 0.659 5.209 4.550 -0.000 0.000 0.334 608 Y C -1.346 174.600 175.900 0.078 0.000 1.179 608 Y CA -1.645 56.484 58.100 0.048 0.000 1.050 608 Y CB 1.292 39.792 38.460 0.067 0.000 1.308 608 Y HN 0.495 nan 8.280 nan 0.000 0.456 609 M N 3.148 122.920 119.600 0.287 0.000 2.144 609 M HA 0.287 4.767 4.480 -0.000 0.000 0.356 609 M C -1.008 175.502 176.300 0.351 0.000 1.217 609 M CA -0.641 54.806 55.300 0.246 0.000 1.087 609 M CB 1.096 33.831 32.600 0.224 0.000 1.609 609 M HN 0.741 nan 8.290 nan 0.000 0.467 610 L N 4.488 125.903 121.223 0.319 0.000 2.288 610 L HA 0.604 4.944 4.340 -0.000 0.000 0.283 610 L C 0.536 177.576 176.870 0.283 0.000 1.072 610 L CA 0.759 55.818 54.840 0.366 0.000 0.862 610 L CB -0.245 42.052 42.059 0.397 0.000 1.245 610 L HN 0.957 nan 8.230 nan 0.000 0.432 611 G N 3.901 112.796 108.800 0.157 0.000 2.741 611 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.222 611 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.222 611 G C 0.334 175.326 174.900 0.152 0.000 1.364 611 G CA 0.016 45.158 45.100 0.070 0.000 0.866 611 G HN 0.518 nan 8.290 nan 0.000 0.555 612 D N 0.296 120.783 120.400 0.144 0.000 2.144 612 D HA -0.037 4.603 4.640 -0.000 0.000 0.200 612 D C 2.137 178.517 176.300 0.132 0.000 0.978 612 D CA 1.548 55.603 54.000 0.092 0.000 0.833 612 D CB 0.008 40.848 40.800 0.066 0.000 0.961 612 D HN 0.362 nan 8.370 nan 0.000 0.470 613 N N -0.382 118.448 118.700 0.217 0.000 2.227 613 N HA 0.024 4.764 4.740 -0.000 0.000 0.196 613 N C 0.071 175.610 175.510 0.049 0.000 1.142 613 N CA 0.040 53.123 53.050 0.056 0.000 0.887 613 N CB 2.052 40.482 38.487 -0.095 0.000 1.022 613 N HN 0.072 nan 8.380 nan 0.000 0.500 614 V N 1.416 121.415 119.914 0.142 0.000 2.448 614 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 614 V C -0.530 175.642 176.094 0.131 0.000 1.025 614 V CA -0.759 61.599 62.300 0.096 0.000 0.859 614 V CB 2.035 33.830 31.823 -0.047 0.000 0.988 614 V HN -0.077 nan 8.190 nan 0.000 0.431 615 M N 7.161 126.821 119.600 0.100 0.000 2.108 615 M HA 0.519 4.999 4.480 -0.000 0.000 0.354 615 M C -1.341 174.799 176.300 -0.266 0.000 1.229 615 M CA -0.092 55.153 55.300 -0.093 0.000 1.081 615 M CB 1.050 33.493 32.600 -0.262 0.000 1.606 615 M HN 0.607 nan 8.290 nan 0.000 0.467 616 V N 5.058 124.699 119.914 -0.455 0.000 2.417 616 V HA 0.711 4.831 4.120 -0.000 0.000 0.291 616 V C -0.052 175.687 176.094 -0.592 0.000 1.024 616 V CA -0.823 61.136 62.300 -0.568 0.000 0.861 616 V CB 1.353 32.714 31.823 -0.769 0.000 0.985 616 V HN 0.915 nan 8.190 nan 0.000 0.436 617 A N 7.186 129.742 122.820 -0.439 0.000 2.360 617 A HA 0.822 5.142 4.320 -0.000 0.000 0.309 617 A C -2.762 174.667 177.584 -0.259 0.000 1.311 617 A CA -1.672 50.184 52.037 -0.302 0.000 0.805 617 A CB 0.786 19.610 19.000 -0.294 0.000 1.144 617 A HN 0.614 nan 8.150 nan 0.000 0.486 618 P HA 0.225 nan 4.420 nan 0.000 0.269 618 P C -0.386 176.592 177.300 -0.537 0.000 1.215 618 P CA -0.051 62.767 63.100 -0.470 0.000 0.780 618 P CB 0.822 32.006 31.700 -0.860 0.000 0.898 619 V N 3.150 122.783 119.914 -0.468 0.000 2.370 619 V HA 0.255 4.375 4.120 -0.000 0.000 0.283 619 V C 0.125 175.975 176.094 -0.407 0.000 1.023 619 V CA 0.112 62.255 62.300 -0.262 0.000 0.857 619 V CB 0.427 32.198 31.823 -0.086 0.000 0.985 619 V HN 0.439 nan 8.190 nan 0.000 0.443 620 F N 2.651 122.465 119.950 -0.227 0.000 2.772 620 F HA 0.300 4.826 4.527 -0.000 0.000 0.302 620 F C 0.982 176.164 175.800 -1.029 0.000 1.136 620 F CA -0.261 57.440 58.000 -0.499 0.000 1.322 620 F CB 0.774 39.629 39.000 -0.242 0.000 0.967 620 F HN 0.567 nan 8.300 nan 0.000 0.513 621 T N -4.696 109.486 114.554 -0.619 0.000 2.903 621 T HA 0.285 4.635 4.350 -0.000 0.000 0.299 621 T C 0.721 175.376 174.700 -0.075 0.000 1.093 621 T CA -0.688 61.161 62.100 -0.419 0.000 1.002 621 T CB 2.381 71.183 68.868 -0.111 0.000 1.127 621 T HN 0.171 nan 8.240 nan 0.000 0.488 622 E N 1.287 121.570 120.200 0.139 0.000 2.031 622 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 622 E C 2.244 178.875 176.600 0.052 0.000 0.994 622 E CA 1.441 57.944 56.400 0.171 0.000 0.800 622 E CB -0.513 29.032 29.700 -0.258 0.000 0.752 622 E HN 0.813 nan 8.360 nan 0.000 0.447 623 A N -0.236 122.579 122.820 -0.009 0.000 2.125 623 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 623 A C 1.890 179.428 177.584 -0.076 0.000 1.156 623 A CA 1.504 53.514 52.037 -0.045 0.000 0.671 623 A CB -0.633 18.357 19.000 -0.017 0.000 0.794 623 A HN 0.624 nan 8.150 nan 0.000 0.459 624 G N -1.038 107.733 108.800 -0.049 0.000 2.159 624 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.227 624 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.227 624 G C -0.341 174.596 174.900 0.062 0.000 0.986 624 G CA 0.088 45.177 45.100 -0.017 0.000 0.651 624 G HN 0.518 nan 8.290 nan 0.000 0.523 625 D N 0.217 120.644 120.400 0.045 0.000 2.455 625 D HA 0.409 5.049 4.640 -0.000 0.000 0.241 625 D C 0.030 176.401 176.300 0.118 0.000 1.138 625 D CA 0.917 54.964 54.000 0.079 0.000 0.877 625 D CB 2.324 43.151 40.800 0.045 0.000 1.187 625 D HN 0.448 nan 8.370 nan 0.000 0.451 626 V N 2.107 122.133 119.914 0.186 0.000 3.000 626 V HA 0.228 4.348 4.120 -0.000 0.000 0.300 626 V C -1.726 174.555 176.094 0.311 0.000 1.251 626 V CA -0.566 61.884 62.300 0.249 0.000 0.972 626 V CB 2.352 34.328 31.823 0.254 0.000 1.065 626 V HN 0.489 nan 8.190 nan 0.000 0.431 627 Q N 5.092 125.095 119.800 0.338 0.000 2.375 627 Q HA 0.787 5.127 4.340 -0.000 0.000 0.271 627 Q C -1.612 174.688 176.000 0.501 0.000 1.074 627 Q CA -0.517 55.484 55.803 0.331 0.000 0.808 627 Q CB 2.851 31.758 28.738 0.282 0.000 1.327 627 Q HN 0.752 nan 8.270 nan 0.000 0.441 628 F N -1.184 118.924 119.950 0.264 0.000 2.693 628 F HA 0.543 5.070 4.527 -0.000 0.000 0.309 628 F C -1.922 173.532 175.800 -0.576 0.000 1.129 628 F CA -1.346 56.553 58.000 -0.168 0.000 0.948 628 F CB 0.906 39.811 39.000 -0.158 0.000 1.315 628 F HN 0.481 nan 8.300 nan 0.000 0.447 629 Y N 2.515 122.198 120.300 -1.028 0.000 2.342 629 Y HA 0.763 5.313 4.550 -0.000 0.000 0.334 629 Y C -1.735 173.790 175.900 -0.625 0.000 1.067 629 Y CA -1.260 56.111 58.100 -1.215 0.000 1.128 629 Y CB 1.480 39.004 38.460 -1.561 0.000 1.200 629 Y HN 0.740 nan 8.280 nan 0.000 0.464 630 L N 9.116 129.463 121.223 -1.459 0.000 2.325 630 L HA 0.565 4.905 4.340 -0.000 0.000 0.281 630 L C -2.339 173.709 176.870 -1.370 0.000 1.004 630 L CA -2.799 51.243 54.840 -1.331 0.000 0.823 630 L CB 1.415 42.836 42.059 -1.062 0.000 1.236 630 L HN 0.595 nan 8.230 nan 0.000 0.415 631 P HA 0.013 nan 4.420 nan 0.000 0.272 631 P C -0.441 176.848 177.300 -0.019 0.000 1.248 631 P CA -0.386 62.469 63.100 -0.407 0.000 0.799 631 P CB 0.455 31.653 31.700 -0.835 0.000 0.997 632 E N 0.236 120.461 120.200 0.041 0.000 2.442 632 E HA 0.298 4.648 4.350 -0.000 0.000 0.262 632 E C 0.169 176.852 176.600 0.138 0.000 1.004 632 E CA 0.543 57.001 56.400 0.095 0.000 0.928 632 E CB -0.332 29.419 29.700 0.085 0.000 0.937 632 E HN 0.650 nan 8.360 nan 0.000 0.446 633 G N 2.887 111.743 108.800 0.094 0.000 2.347 633 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.477 633 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.477 633 G C -1.312 173.600 174.900 0.020 0.000 1.349 633 G CA -0.712 44.360 45.100 -0.046 0.000 1.000 633 G HN 0.596 nan 8.290 nan 0.000 0.605 634 R N -0.205 120.242 120.500 -0.087 0.000 2.215 634 R HA 0.592 4.932 4.340 -0.000 0.000 0.336 634 R C -0.820 175.469 176.300 -0.018 0.000 0.996 634 R CA -0.634 55.477 56.100 0.018 0.000 0.847 634 R CB 0.501 30.807 30.300 0.010 0.000 1.127 634 R HN 0.475 nan 8.270 nan 0.000 0.465 635 W N 2.178 123.464 121.300 -0.024 0.000 2.516 635 W HA 0.419 5.079 4.660 -0.000 0.000 0.343 635 W C -0.195 176.430 176.519 0.176 0.000 1.094 635 W CA -0.378 56.982 57.345 0.026 0.000 1.250 635 W CB 2.010 31.430 29.460 -0.067 0.000 1.308 635 W HN 0.323 nan 8.180 nan 0.000 0.588 636 T N 1.663 116.493 114.554 0.460 0.000 2.848 636 T HA 0.105 4.455 4.350 -0.000 0.000 0.285 636 T C -0.682 174.142 174.700 0.206 0.000 0.995 636 T CA -0.638 61.703 62.100 0.402 0.000 0.970 636 T CB 0.875 70.029 68.868 0.477 0.000 0.976 636 T HN 0.285 nan 8.240 nan 0.000 0.441 637 H N 2.913 121.924 119.070 -0.099 0.000 2.928 637 H HA 0.067 4.623 4.556 -0.000 0.000 0.338 637 H C 0.906 176.051 175.328 -0.305 0.000 1.047 637 H CA -0.264 55.390 56.048 -0.657 0.000 1.435 637 H CB 0.889 30.231 29.762 -0.701 0.000 1.428 637 H HN 0.517 nan 8.280 nan 0.000 0.590 638 L N 5.947 126.810 121.223 -0.599 0.000 2.079 638 L HA -0.163 4.176 4.340 -0.000 0.000 0.210 638 L C 1.702 178.701 176.870 0.215 0.000 1.081 638 L CA 2.124 56.896 54.840 -0.113 0.000 0.752 638 L CB -0.423 41.582 42.059 -0.090 0.000 0.896 638 L HN 0.827 nan 8.230 nan 0.000 0.433 639 W N -4.613 116.780 121.300 0.155 0.000 2.835 639 W HA 0.269 4.929 4.660 -0.000 0.000 0.278 639 W C 1.806 178.359 176.519 0.058 0.000 1.075 639 W CA -0.046 57.349 57.345 0.083 0.000 1.439 639 W CB -0.647 28.834 29.460 0.035 0.000 0.927 639 W HN -0.072 nan 8.180 nan 0.000 0.604 640 H N 0.941 119.921 119.070 -0.151 0.000 2.512 640 H HA 0.056 4.612 4.556 -0.000 0.000 0.279 640 H C 0.813 176.126 175.328 -0.024 0.000 0.999 640 H CA 1.219 57.143 56.048 -0.208 0.000 1.283 640 H CB -0.262 29.148 29.762 -0.587 0.000 1.421 640 H HN 0.186 nan 8.280 nan 0.000 0.554 641 N N 0.901 119.700 118.700 0.164 0.000 2.936 641 N HA -0.167 4.573 4.740 -0.000 0.000 0.236 641 N C -0.577 175.040 175.510 0.178 0.000 0.930 641 N CA 1.078 54.237 53.050 0.182 0.000 0.966 641 N CB -1.115 37.464 38.487 0.153 0.000 1.090 641 N HN 0.688 nan 8.380 nan 0.000 0.592 642 D N 0.374 120.877 120.400 0.172 0.000 2.399 642 D HA 0.078 4.718 4.640 -0.000 0.000 0.241 642 D C -0.194 176.267 176.300 0.268 0.000 1.133 642 D CA 0.426 54.531 54.000 0.175 0.000 0.890 642 D CB 0.873 41.751 40.800 0.130 0.000 1.201 642 D HN 0.298 nan 8.370 nan 0.000 0.432 643 E N 0.796 121.115 120.200 0.199 0.000 2.207 643 E HA 0.569 4.919 4.350 -0.000 0.000 0.270 643 E C -0.631 176.038 176.600 0.114 0.000 0.927 643 E CA -0.877 55.642 56.400 0.198 0.000 0.799 643 E CB 2.196 31.984 29.700 0.146 0.000 1.172 643 E HN 0.375 nan 8.360 nan 0.000 0.404 644 L N 2.049 123.308 121.223 0.061 0.000 2.431 644 L HA 0.397 4.736 4.340 -0.000 0.000 0.266 644 L C -0.640 176.237 176.870 0.012 0.000 0.978 644 L CA -0.995 53.781 54.840 -0.107 0.000 0.822 644 L CB 2.055 43.763 42.059 -0.585 0.000 1.310 644 L HN 0.400 nan 8.230 nan 0.000 0.409 645 D N 1.244 121.684 120.400 0.067 0.000 2.283 645 D HA 0.408 5.048 4.640 -0.000 0.000 0.248 645 D C 0.124 176.506 176.300 0.136 0.000 1.072 645 D CA 0.052 54.120 54.000 0.113 0.000 0.929 645 D CB 2.394 43.242 40.800 0.080 0.000 1.182 645 D HN 0.668 nan 8.370 nan 0.000 0.433 646 G N -0.971 107.908 108.800 0.132 0.000 2.606 646 G HA2 0.334 4.294 3.960 -0.000 0.000 0.262 646 G HA3 0.334 4.294 3.960 -0.000 0.000 0.262 646 G C 0.058 174.918 174.900 -0.067 0.000 1.394 646 G CA -0.352 44.753 45.100 0.010 0.000 1.044 646 G HN 0.467 nan 8.290 nan 0.000 0.553 647 S N -1.670 113.931 115.700 -0.164 0.000 3.476 647 S HA -0.183 4.287 4.470 -0.000 0.000 0.309 647 S C 0.389 174.965 174.600 -0.039 0.000 1.222 647 S CA 1.757 59.930 58.200 -0.046 0.000 0.922 647 S CB -1.491 61.739 63.200 0.049 0.000 1.023 647 S HN 1.157 nan 8.310 nan 0.000 0.591 648 R N -1.846 118.455 120.500 -0.332 0.000 2.716 648 R HA 0.605 4.944 4.340 -0.000 0.000 0.271 648 R C -1.308 174.736 176.300 -0.426 0.000 1.028 648 R CA -1.142 54.849 56.100 -0.181 0.000 0.883 648 R CB 0.390 30.573 30.300 -0.196 0.000 1.250 648 R HN 0.100 nan 8.270 nan 0.000 0.465 649 W N 0.802 121.911 121.300 -0.319 0.000 2.183 649 W HA 0.425 5.085 4.660 -0.000 0.000 0.348 649 W C 0.505 176.533 176.519 -0.818 0.000 1.257 649 W CA 0.567 57.672 57.345 -0.401 0.000 1.324 649 W CB 0.632 29.973 29.460 -0.199 0.000 1.144 649 W HN 0.326 nan 8.180 nan 0.000 0.622 650 H N 0.644 119.480 119.070 -0.390 0.000 2.980 650 H HA 0.352 4.908 4.556 -0.000 0.000 0.367 650 H C -1.243 173.821 175.328 -0.441 0.000 1.206 650 H CA -1.159 54.581 56.048 -0.513 0.000 1.126 650 H CB 2.534 31.790 29.762 -0.843 0.000 1.838 650 H HN 0.267 nan 8.280 nan 0.000 0.552 651 K N 1.791 122.137 120.400 -0.091 0.000 2.443 651 K HA 0.414 4.734 4.320 -0.000 0.000 0.252 651 K C -1.206 175.445 176.600 0.085 0.000 0.933 651 K CA -0.417 55.875 56.287 0.009 0.000 0.792 651 K CB 2.088 34.590 32.500 0.004 0.000 1.185 651 K HN 0.616 nan 8.250 nan 0.000 0.425 652 Q N 1.735 121.647 119.800 0.187 0.000 2.615 652 Q HA 0.267 4.607 4.340 -0.000 0.000 0.298 652 Q C -1.674 174.417 176.000 0.151 0.000 1.023 652 Q CA -1.102 54.810 55.803 0.183 0.000 0.768 652 Q CB 2.823 31.789 28.738 0.380 0.000 1.500 652 Q HN 0.590 nan 8.270 nan 0.000 0.441 653 Q N 0.838 120.640 119.800 0.003 0.000 2.274 653 Q HA 0.331 4.670 4.340 -0.000 0.000 0.268 653 Q C -1.759 174.151 176.000 -0.150 0.000 1.015 653 Q CA -0.287 55.514 55.803 -0.003 0.000 0.775 653 Q CB 1.296 30.013 28.738 -0.036 0.000 1.256 653 Q HN 0.588 nan 8.270 nan 0.000 0.442 654 H N 2.089 121.151 119.070 -0.014 0.000 2.495 654 H HA 0.433 4.988 4.556 -0.000 0.000 0.348 654 H C 0.102 175.374 175.328 -0.094 0.000 1.113 654 H CA -0.522 55.518 56.048 -0.014 0.000 1.195 654 H CB 2.068 31.869 29.762 0.065 0.000 1.521 654 H HN 0.868 nan 8.280 nan 0.000 0.509 655 G N 0.568 109.371 108.800 0.005 0.000 2.588 655 G HA2 0.072 4.032 3.960 -0.000 0.000 0.278 655 G HA3 0.072 4.032 3.960 -0.000 0.000 0.278 655 G C 0.232 175.113 174.900 -0.033 0.000 1.307 655 G CA -0.362 44.662 45.100 -0.126 0.000 1.016 655 G HN 0.481 nan 8.290 nan 0.000 0.503 656 F N -1.042 119.030 119.950 0.205 0.000 2.604 656 F HA 0.124 4.651 4.527 -0.000 0.000 0.298 656 F C 2.056 178.041 175.800 0.308 0.000 1.131 656 F CA 0.247 58.398 58.000 0.251 0.000 1.457 656 F CB 0.171 39.310 39.000 0.232 0.000 1.095 656 F HN -0.005 nan 8.300 nan 0.000 0.574 657 L N -1.169 120.240 121.223 0.311 0.000 2.685 657 L HA 0.226 4.566 4.340 -0.000 0.000 0.233 657 L C 0.537 177.534 176.870 0.213 0.000 1.173 657 L CA 0.433 55.294 54.840 0.034 0.000 0.961 657 L CB -1.307 40.506 42.059 -0.411 0.000 1.217 657 L HN 0.020 nan 8.230 nan 0.000 0.478 658 S N 0.550 116.592 115.700 0.570 0.000 2.588 658 S HA 0.869 5.338 4.470 -0.000 0.000 0.275 658 S C -0.948 173.953 174.600 0.502 0.000 1.130 658 S CA -0.517 58.127 58.200 0.740 0.000 0.855 658 S CB 1.908 65.533 63.200 0.708 0.000 1.116 658 S HN 0.199 nan 8.310 nan 0.000 0.472 659 L N -0.497 120.880 121.223 0.258 0.000 2.775 659 L HA 0.726 5.066 4.340 -0.000 0.000 0.263 659 L C -3.146 173.456 176.870 -0.445 0.000 1.017 659 L CA -2.391 52.227 54.840 -0.369 0.000 0.891 659 L CB 1.520 43.521 42.059 -0.097 0.000 1.482 659 L HN 0.338 nan 8.230 nan 0.000 0.410 660 P HA 0.183 nan 4.420 nan 0.000 0.264 660 P C -0.879 176.151 177.300 -0.451 0.000 1.229 660 P CA 0.151 63.021 63.100 -0.383 0.000 0.780 660 P CB 0.731 31.945 31.700 -0.810 0.000 0.808 661 V N 6.045 125.507 119.914 -0.752 0.000 2.380 661 V HA 0.272 4.392 4.120 -0.000 0.000 0.272 661 V C -0.770 174.752 176.094 -0.954 0.000 1.011 661 V CA -0.496 61.395 62.300 -0.681 0.000 0.826 661 V CB 0.100 31.642 31.823 -0.469 0.000 1.040 661 V HN 0.376 nan 8.190 nan 0.000 0.441 662 Y N 2.430 122.483 120.300 -0.412 0.000 2.360 662 Y HA 0.661 5.210 4.550 -0.000 0.000 0.337 662 Y C 0.194 176.103 175.900 0.016 0.000 1.039 662 Y CA -0.779 57.203 58.100 -0.197 0.000 1.109 662 Y CB 2.200 40.573 38.460 -0.144 0.000 1.201 662 Y HN 0.352 nan 8.280 nan 0.000 0.458 663 V N 4.313 124.240 119.914 0.022 0.000 2.427 663 V HA 0.415 4.535 4.120 -0.000 0.000 0.286 663 V C 0.133 176.056 176.094 -0.285 0.000 1.034 663 V CA -1.278 60.842 62.300 -0.299 0.000 0.893 663 V CB 1.368 32.519 31.823 -1.120 0.000 0.982 663 V HN 0.698 nan 8.190 nan 0.000 0.452 664 R N 2.568 122.741 120.500 -0.545 0.000 2.734 664 R HA 0.120 4.460 4.340 -0.000 0.000 0.266 664 R C 0.086 176.020 176.300 -0.610 0.000 1.044 664 R CA -0.400 55.055 56.100 -1.075 0.000 1.128 664 R CB 0.461 30.343 30.300 -0.696 0.000 1.010 664 R HN 0.966 nan 8.270 nan 0.000 0.461 665 D N 2.099 122.135 120.400 -0.608 0.000 2.369 665 D HA -0.088 4.552 4.640 -0.000 0.000 0.241 665 D C -0.357 175.829 176.300 -0.191 0.000 1.271 665 D CA -0.182 53.648 54.000 -0.283 0.000 0.942 665 D CB 0.225 40.871 40.800 -0.258 0.000 1.129 665 D HN 0.625 nan 8.370 nan 0.000 0.476 666 N N -1.282 117.356 118.700 -0.103 0.000 2.716 666 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 666 N C -0.904 174.604 175.510 -0.003 0.000 1.033 666 N CA 1.021 54.043 53.050 -0.046 0.000 0.727 666 N CB -1.632 36.816 38.487 -0.066 0.000 0.950 666 N HN 0.530 nan 8.380 nan 0.000 0.541 667 T N 0.947 115.527 114.554 0.043 0.000 2.824 667 T HA 0.496 4.846 4.350 -0.000 0.000 0.282 667 T C -0.175 174.642 174.700 0.195 0.000 0.993 667 T CA -0.551 61.589 62.100 0.067 0.000 0.967 667 T CB 2.179 71.024 68.868 -0.038 0.000 0.960 667 T HN 0.108 nan 8.240 nan 0.000 0.441 668 L N 4.671 125.987 121.223 0.155 0.000 2.318 668 L HA 0.652 4.992 4.340 -0.000 0.000 0.277 668 L C -1.297 175.720 176.870 0.246 0.000 1.008 668 L CA -0.847 54.115 54.840 0.203 0.000 0.846 668 L CB 0.762 42.883 42.059 0.104 0.000 1.220 668 L HN 0.528 nan 8.230 nan 0.000 0.423 669 L N 4.496 125.916 121.223 0.328 0.000 2.317 669 L HA 0.859 5.199 4.340 -0.000 0.000 0.281 669 L C -0.193 176.857 176.870 0.300 0.000 1.024 669 L CA -0.162 54.818 54.840 0.233 0.000 0.810 669 L CB 1.751 43.904 42.059 0.157 0.000 1.240 669 L HN 0.711 nan 8.230 nan 0.000 0.427 670 A N 5.312 128.248 122.820 0.192 0.000 2.260 670 A HA 0.690 5.010 4.320 -0.000 0.000 0.314 670 A C -1.244 176.344 177.584 0.007 0.000 1.257 670 A CA -0.416 51.621 52.037 0.000 0.000 0.871 670 A CB 0.243 19.209 19.000 -0.056 0.000 1.166 670 A HN 0.505 nan 8.150 nan 0.000 0.522 671 L N 2.379 123.610 121.223 0.014 0.000 2.346 671 L HA 0.680 5.020 4.340 -0.000 0.000 0.276 671 L C 0.922 177.829 176.870 0.062 0.000 1.006 671 L CA -0.072 54.796 54.840 0.047 0.000 0.817 671 L CB 1.534 43.626 42.059 0.056 0.000 1.272 671 L HN 0.799 nan 8.230 nan 0.000 0.421 672 G N 1.021 109.911 108.800 0.149 0.000 2.522 672 G HA2 0.320 4.280 3.960 -0.000 0.000 0.304 672 G HA3 0.320 4.280 3.960 -0.000 0.000 0.304 672 G C 0.381 175.404 174.900 0.205 0.000 1.210 672 G CA -0.384 44.897 45.100 0.301 0.000 0.960 672 G HN 0.731 nan 8.290 nan 0.000 0.497 673 N N -0.466 118.339 118.700 0.175 0.000 2.251 673 N HA 0.019 4.758 4.740 -0.000 0.000 0.217 673 N C -0.264 175.138 175.510 -0.181 0.000 1.124 673 N CA -0.430 52.623 53.050 0.005 0.000 0.843 673 N CB 0.349 38.849 38.487 0.022 0.000 1.024 673 N HN 0.309 nan 8.380 nan 0.000 0.501 674 N N 1.174 119.602 118.700 -0.454 0.000 2.399 674 N HA 0.089 4.829 4.740 -0.000 0.000 0.280 674 N C -1.009 174.266 175.510 -0.392 0.000 1.008 674 N CA -0.279 52.380 53.050 -0.652 0.000 0.894 674 N CB 1.612 39.256 38.487 -1.404 0.000 1.273 674 N HN 0.171 nan 8.380 nan 0.000 0.486 675 D N 1.877 122.158 120.400 -0.199 0.000 2.462 675 D HA 0.081 4.721 4.640 -0.000 0.000 0.221 675 D C 0.300 176.577 176.300 -0.039 0.000 1.173 675 D CA 0.283 54.225 54.000 -0.096 0.000 0.831 675 D CB 0.545 41.287 40.800 -0.097 0.000 1.001 675 D HN 0.312 nan 8.370 nan 0.000 0.499 676 Q N 0.293 120.065 119.800 -0.046 0.000 2.402 676 Q HA 0.199 4.539 4.340 -0.000 0.000 0.231 676 Q C 0.614 176.741 176.000 0.210 0.000 0.888 676 Q CA 0.566 56.398 55.803 0.049 0.000 0.938 676 Q CB 1.340 30.077 28.738 -0.002 0.000 1.086 676 Q HN 0.516 nan 8.270 nan 0.000 0.543 677 R N -0.577 119.999 120.500 0.127 0.000 2.774 677 R HA 0.426 4.766 4.340 -0.000 0.000 0.272 677 R C -2.498 173.887 176.300 0.141 0.000 1.000 677 R CA -1.540 54.630 56.100 0.118 0.000 0.906 677 R CB 1.147 31.542 30.300 0.158 0.000 1.227 677 R HN -0.298 nan 8.270 nan 0.000 0.468 678 P HA -0.040 nan 4.420 nan 0.000 0.226 678 P C -0.686 176.847 177.300 0.389 0.000 1.161 678 P CA 0.878 64.122 63.100 0.240 0.000 0.804 678 P CB 0.085 31.849 31.700 0.106 0.000 0.829 679 D N 0.723 121.274 120.400 0.253 0.000 2.412 679 D HA 0.240 4.880 4.640 -0.000 0.000 0.224 679 D C -0.073 176.213 176.300 -0.023 0.000 1.093 679 D CA -0.840 53.172 54.000 0.021 0.000 0.850 679 D CB 0.303 41.117 40.800 0.025 0.000 1.046 679 D HN 0.252 nan 8.370 nan 0.000 0.507 680 Y N -1.495 118.500 120.300 -0.507 0.000 2.905 680 Y HA 0.509 5.059 4.550 -0.000 0.000 0.322 680 Y C -1.120 174.341 175.900 -0.732 0.000 1.455 680 Y CA -1.625 56.210 58.100 -0.443 0.000 1.083 680 Y CB 0.514 38.866 38.460 -0.180 0.000 1.473 680 Y HN -0.069 nan 8.280 nan 0.000 0.449 681 V N 2.639 122.411 119.914 -0.237 0.000 2.276 681 V HA -0.026 4.094 4.120 -0.000 0.000 0.249 681 V C 0.154 176.108 176.094 -0.233 0.000 1.160 681 V CA -0.435 61.659 62.300 -0.344 0.000 1.042 681 V CB -0.821 30.838 31.823 -0.275 0.000 1.224 681 V HN 0.802 nan 8.190 nan 0.000 0.496 682 W N 3.080 124.245 121.300 -0.224 0.000 2.392 682 W HA -0.098 4.562 4.660 -0.000 0.000 0.279 682 W C 2.184 178.675 176.519 -0.046 0.000 1.225 682 W CA 1.463 58.679 57.345 -0.214 0.000 1.233 682 W CB -0.584 28.732 29.460 -0.241 0.000 1.122 682 W HN 0.859 nan 8.180 nan 0.000 0.561 683 H N -0.706 118.455 119.070 0.153 0.000 2.539 683 H HA 0.242 4.798 4.556 -0.000 0.000 0.267 683 H C -0.532 174.826 175.328 0.050 0.000 0.982 683 H CA 0.395 56.492 56.048 0.082 0.000 1.146 683 H CB -0.386 29.421 29.762 0.075 0.000 1.382 683 H HN 0.106 nan 8.280 nan 0.000 0.577 684 E N 0.516 120.586 120.200 -0.217 0.000 2.151 684 E HA 0.388 4.737 4.350 -0.000 0.000 0.275 684 E C 0.225 176.836 176.600 0.019 0.000 0.936 684 E CA -0.382 55.963 56.400 -0.092 0.000 0.777 684 E CB 1.646 31.245 29.700 -0.168 0.000 1.108 684 E HN 0.464 nan 8.360 nan 0.000 0.401 685 G N 3.076 111.913 108.800 0.060 0.000 2.148 685 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 685 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 685 G C 0.376 175.328 174.900 0.087 0.000 0.981 685 G CA 0.256 45.397 45.100 0.069 0.000 0.670 685 G HN 0.516 nan 8.290 nan 0.000 0.528 686 T N 0.935 115.536 114.554 0.080 0.000 2.905 686 T HA 0.434 4.784 4.350 -0.000 0.000 0.299 686 T C 0.672 175.339 174.700 -0.055 0.000 1.024 686 T CA 0.809 62.866 62.100 -0.071 0.000 1.151 686 T CB 1.455 70.115 68.868 -0.346 0.000 0.987 686 T HN 1.505 nan 8.240 nan 0.000 0.535 687 A N 3.964 126.740 122.820 -0.075 0.000 2.273 687 A HA 0.646 4.966 4.320 -0.000 0.000 0.320 687 A C -0.342 177.247 177.584 0.008 0.000 1.358 687 A CA -0.747 51.314 52.037 0.039 0.000 0.910 687 A CB -0.085 19.020 19.000 0.175 0.000 1.159 687 A HN 0.697 nan 8.150 nan 0.000 0.526 688 F N 1.687 121.732 119.950 0.158 0.000 2.375 688 F HA 0.399 4.926 4.527 -0.000 0.000 0.333 688 F C 0.972 176.748 175.800 -0.041 0.000 1.104 688 F CA 0.374 58.464 58.000 0.150 0.000 1.149 688 F CB 1.093 40.166 39.000 0.123 0.000 1.190 688 F HN 0.494 nan 8.300 nan 0.000 0.533 689 H N 3.185 122.412 119.070 0.262 0.000 2.744 689 H HA 0.331 4.887 4.556 -0.000 0.000 0.339 689 H C -1.364 173.949 175.328 -0.024 0.000 1.004 689 H CA -0.859 55.209 56.048 0.035 0.000 1.257 689 H CB 2.352 32.116 29.762 0.003 0.000 1.552 689 H HN 0.397 nan 8.280 nan 0.000 0.522 690 L N 4.182 125.349 121.223 -0.094 0.000 2.282 690 L HA 0.397 4.737 4.340 -0.000 0.000 0.288 690 L C -1.461 175.296 176.870 -0.187 0.000 1.033 690 L CA -0.215 54.609 54.840 -0.026 0.000 0.807 690 L CB 0.199 42.256 42.059 -0.003 0.000 1.209 690 L HN 0.351 nan 8.230 nan 0.000 0.423 691 F N 4.296 124.266 119.950 0.034 0.000 2.445 691 F HA 0.389 4.916 4.527 -0.000 0.000 0.348 691 F C 0.679 176.459 175.800 -0.033 0.000 1.125 691 F CA -0.765 57.239 58.000 0.008 0.000 0.983 691 F CB 0.823 39.813 39.000 -0.017 0.000 1.198 691 F HN 0.631 nan 8.300 nan 0.000 0.436 692 N N 2.591 121.357 118.700 0.109 0.000 2.667 692 N HA -0.218 4.522 4.740 -0.000 0.000 0.263 692 N C -0.935 174.569 175.510 -0.009 0.000 1.038 692 N CA 0.034 53.107 53.050 0.038 0.000 0.749 692 N CB -0.450 38.051 38.487 0.023 0.000 0.892 692 N HN 0.491 nan 8.380 nan 0.000 0.546 693 L N 1.254 122.478 121.223 0.001 0.000 2.313 693 L HA 0.141 4.481 4.340 -0.000 0.000 0.282 693 L C 0.618 177.472 176.870 -0.027 0.000 1.092 693 L CA 0.029 54.865 54.840 -0.007 0.000 0.831 693 L CB 0.557 42.627 42.059 0.020 0.000 1.159 693 L HN 0.362 nan 8.230 nan 0.000 0.442 694 Q N 2.544 122.290 119.800 -0.091 0.000 2.306 694 Q HA 0.086 4.426 4.340 -0.000 0.000 0.241 694 Q C -0.471 175.583 176.000 0.089 0.000 0.948 694 Q CA -0.664 55.088 55.803 -0.085 0.000 0.886 694 Q CB 1.248 29.778 28.738 -0.347 0.000 1.227 694 Q HN 0.464 nan 8.270 nan 0.000 0.457 695 D N 0.324 120.778 120.400 0.090 0.000 2.520 695 D HA 0.035 4.674 4.640 -0.000 0.000 0.243 695 D C 0.765 177.168 176.300 0.171 0.000 1.160 695 D CA 1.802 55.863 54.000 0.101 0.000 0.877 695 D CB 0.262 41.101 40.800 0.064 0.000 1.150 695 D HN 0.749 nan 8.370 nan 0.000 0.494 696 G N 3.247 112.110 108.800 0.105 0.000 2.176 696 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.253 696 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.253 696 G C 0.377 175.238 174.900 -0.064 0.000 0.979 696 G CA 0.204 45.319 45.100 0.025 0.000 0.641 696 G HN 0.721 nan 8.290 nan 0.000 0.530 697 H N 0.116 119.182 119.070 -0.008 0.000 2.567 697 H HA 0.619 5.175 4.556 -0.000 0.000 0.345 697 H C -0.526 174.793 175.328 -0.014 0.000 1.169 697 H CA -0.311 55.730 56.048 -0.011 0.000 1.227 697 H CB 2.000 31.756 29.762 -0.011 0.000 1.607 697 H HN 0.357 nan 8.280 nan 0.000 0.534 698 E N 1.077 121.326 120.200 0.082 0.000 2.224 698 E HA 0.510 4.860 4.350 -0.000 0.000 0.265 698 E C -1.570 175.053 176.600 0.039 0.000 0.878 698 E CA -1.000 55.422 56.400 0.036 0.000 0.759 698 E CB 1.636 31.331 29.700 -0.008 0.000 1.164 698 E HN 0.694 nan 8.360 nan 0.000 0.414 699 A N 3.779 126.615 122.820 0.027 0.000 2.290 699 A HA 0.548 4.868 4.320 -0.000 0.000 0.310 699 A C -0.730 176.848 177.584 -0.009 0.000 1.202 699 A CA -0.548 51.502 52.037 0.021 0.000 0.837 699 A CB 1.105 20.128 19.000 0.039 0.000 1.139 699 A HN 0.381 nan 8.150 nan 0.000 0.509 700 V N 1.581 121.490 119.914 -0.008 0.000 2.555 700 V HA 0.507 4.627 4.120 -0.000 0.000 0.302 700 V C -0.363 175.729 176.094 -0.003 0.000 1.038 700 V CA -0.573 61.705 62.300 -0.036 0.000 0.887 700 V CB 1.428 33.226 31.823 -0.042 0.000 0.991 700 V HN 1.037 nan 8.190 nan 0.000 0.434 701 C N 4.758 124.043 119.300 -0.025 0.000 2.397 701 C HA 0.595 5.055 4.460 -0.000 0.000 0.325 701 C C -0.292 174.724 174.990 0.043 0.000 1.201 701 C CA -0.424 58.635 59.018 0.068 0.000 1.377 701 C CB 0.383 28.232 27.740 0.181 0.000 2.038 701 C HN 0.996 nan 8.230 nan 0.000 0.457 702 E N 4.296 124.540 120.200 0.074 0.000 2.113 702 E HA 0.436 4.785 4.350 -0.000 0.000 0.273 702 E C -0.814 175.867 176.600 0.134 0.000 0.924 702 E CA -0.424 56.013 56.400 0.062 0.000 0.764 702 E CB 1.824 31.533 29.700 0.016 0.000 1.104 702 E HN 0.571 nan 8.360 nan 0.000 0.406 703 V N 5.607 125.648 119.914 0.212 0.000 2.432 703 V HA 0.269 4.388 4.120 -0.000 0.000 0.275 703 V C -1.930 174.287 176.094 0.206 0.000 1.043 703 V CA -1.750 60.694 62.300 0.240 0.000 0.925 703 V CB 0.844 32.886 31.823 0.365 0.000 0.985 703 V HN 0.590 nan 8.190 nan 0.000 0.466 704 P HA 0.469 nan 4.420 nan 0.000 0.282 704 P C -0.571 176.970 177.300 0.402 0.000 1.259 704 P CA -0.413 62.840 63.100 0.255 0.000 0.826 704 P CB 1.498 33.344 31.700 0.244 0.000 1.064 705 A N 1.668 124.659 122.820 0.286 0.000 2.259 705 A HA 0.522 4.842 4.320 -0.000 0.000 0.278 705 A C 1.749 179.514 177.584 0.301 0.000 1.107 705 A CA 0.172 52.340 52.037 0.220 0.000 0.828 705 A CB -0.556 18.499 19.000 0.091 0.000 1.111 705 A HN 0.521 nan 8.150 nan 0.000 0.498 706 A N 0.061 122.910 122.820 0.048 0.000 1.986 706 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 706 A C 1.375 179.098 177.584 0.232 0.000 1.171 706 A CA 2.302 54.319 52.037 -0.034 0.000 0.640 706 A CB -0.749 18.152 19.000 -0.165 0.000 0.811 706 A HN 0.903 nan 8.150 nan 0.000 0.451 707 D N -2.249 118.277 120.400 0.209 0.000 2.336 707 D HA 0.268 4.908 4.640 -0.000 0.000 0.229 707 D C 1.198 177.632 176.300 0.224 0.000 1.061 707 D CA 0.972 55.097 54.000 0.207 0.000 0.875 707 D CB -0.648 40.220 40.800 0.113 0.000 0.904 707 D HN 0.797 nan 8.370 nan 0.000 0.525 708 G N 0.262 109.258 108.800 0.327 0.000 2.234 708 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 708 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 708 G C 0.525 175.474 174.900 0.082 0.000 0.987 708 G CA 0.652 45.840 45.100 0.147 0.000 0.625 708 G HN 0.866 nan 8.290 nan 0.000 0.532 709 S N -0.673 115.082 115.700 0.091 0.000 2.589 709 S HA 0.574 5.044 4.470 -0.000 0.000 0.265 709 S C 0.401 175.041 174.600 0.068 0.000 1.342 709 S CA -0.080 58.153 58.200 0.055 0.000 1.005 709 S CB 2.075 65.301 63.200 0.043 0.000 0.909 709 S HN 1.030 nan 8.310 nan 0.000 0.555 710 V N 2.631 122.570 119.914 0.041 0.000 2.408 710 V HA 0.234 4.354 4.120 -0.000 0.000 0.267 710 V C 1.027 177.148 176.094 0.045 0.000 1.047 710 V CA -0.193 62.134 62.300 0.046 0.000 0.937 710 V CB 0.537 32.368 31.823 0.013 0.000 0.999 710 V HN 0.969 nan 8.190 nan 0.000 0.472 711 I N 4.315 124.927 120.570 0.069 0.000 3.265 711 I HA 0.279 4.448 4.170 -0.000 0.000 0.282 711 I C 0.010 176.211 176.117 0.141 0.000 1.207 711 I CA 0.643 61.961 61.300 0.031 0.000 1.449 711 I CB 0.494 38.425 38.000 -0.116 0.000 1.121 711 I HN 0.548 nan 8.210 nan 0.000 0.442 712 F N -0.145 119.798 119.950 -0.013 0.000 2.615 712 F HA 0.416 4.943 4.527 -0.000 0.000 0.312 712 F C -1.039 174.751 175.800 -0.016 0.000 1.119 712 F CA -0.494 57.500 58.000 -0.010 0.000 0.979 712 F CB 1.719 40.739 39.000 0.034 0.000 1.266 712 F HN -0.409 nan 8.300 nan 0.000 0.444 713 T N 6.474 120.559 114.554 -0.782 0.000 2.824 713 T HA 0.620 4.970 4.350 -0.000 0.000 0.282 713 T C -1.658 172.407 174.700 -1.060 0.000 0.993 713 T CA -0.440 61.275 62.100 -0.642 0.000 0.967 713 T CB 1.480 70.129 68.868 -0.365 0.000 0.960 713 T HN 0.535 nan 8.240 nan 0.000 0.441 714 L N 3.569 124.344 121.223 -0.746 0.000 2.341 714 L HA 0.635 4.975 4.340 -0.000 0.000 0.278 714 L C -0.813 175.813 176.870 -0.407 0.000 1.005 714 L CA -0.328 54.070 54.840 -0.736 0.000 0.818 714 L CB 1.122 42.553 42.059 -1.047 0.000 1.259 714 L HN 0.498 nan 8.230 nan 0.000 0.418 715 K N 4.053 124.267 120.400 -0.310 0.000 2.324 715 K HA 0.866 5.186 4.320 -0.000 0.000 0.253 715 K C -1.309 175.217 176.600 -0.123 0.000 0.932 715 K CA -0.785 55.396 56.287 -0.178 0.000 0.799 715 K CB 2.136 34.550 32.500 -0.143 0.000 1.154 715 K HN 0.651 nan 8.250 nan 0.000 0.425 716 A N 1.701 124.477 122.820 -0.074 0.000 2.335 716 A HA 0.754 5.074 4.320 -0.000 0.000 0.304 716 A C -1.180 176.397 177.584 -0.011 0.000 1.118 716 A CA -0.629 51.387 52.037 -0.035 0.000 0.757 716 A CB 1.283 20.271 19.000 -0.019 0.000 1.188 716 A HN 0.697 nan 8.150 nan 0.000 0.460 717 A N 2.600 125.416 122.820 -0.006 0.000 2.343 717 A HA 0.794 5.114 4.320 -0.000 0.000 0.316 717 A C -0.135 177.458 177.584 0.014 0.000 1.104 717 A CA -0.666 51.373 52.037 0.005 0.000 0.768 717 A CB 0.903 19.897 19.000 -0.009 0.000 1.213 717 A HN 0.932 nan 8.150 nan 0.000 0.456 718 R N 1.737 122.255 120.500 0.029 0.000 2.387 718 R HA 0.523 4.863 4.340 -0.000 0.000 0.314 718 R C 0.336 176.653 176.300 0.029 0.000 0.958 718 R CA 0.205 56.324 56.100 0.031 0.000 0.846 718 R CB 1.643 31.968 30.300 0.042 0.000 1.147 718 R HN 0.781 nan 8.270 nan 0.000 0.447 719 T N 1.156 115.721 114.554 0.019 0.000 3.082 719 T HA 0.307 4.657 4.350 -0.000 0.000 0.235 719 T C 0.848 175.559 174.700 0.018 0.000 0.991 719 T CA 0.971 63.079 62.100 0.015 0.000 1.220 719 T CB 0.048 68.920 68.868 0.006 0.000 0.909 719 T HN 0.672 nan 8.240 nan 0.000 0.424 720 G N 0.541 109.351 108.800 0.016 0.000 2.694 720 G HA2 0.237 4.197 3.960 -0.000 0.000 0.212 720 G HA3 0.237 4.197 3.960 -0.000 0.000 0.212 720 G C 0.355 175.265 174.900 0.017 0.000 2.030 720 G CA -0.149 44.961 45.100 0.017 0.000 0.731 720 G HN 0.406 nan 8.290 nan 0.000 0.795 721 N N 0.749 119.457 118.700 0.014 0.000 2.321 721 N HA 0.297 5.037 4.740 -0.000 0.000 0.242 721 N C -0.794 174.723 175.510 0.012 0.000 1.141 721 N CA 0.013 53.072 53.050 0.013 0.000 0.864 721 N CB 1.054 39.548 38.487 0.012 0.000 1.100 721 N HN 0.129 nan 8.380 nan 0.000 0.510 722 T N 0.720 115.281 114.554 0.013 0.000 2.794 722 T HA 0.372 4.722 4.350 -0.000 0.000 0.280 722 T C -0.615 174.093 174.700 0.013 0.000 0.987 722 T CA -0.418 61.689 62.100 0.012 0.000 0.993 722 T CB 1.645 70.519 68.868 0.010 0.000 0.939 722 T HN -0.047 nan 8.240 nan 0.000 0.449 723 I N 3.192 123.771 120.570 0.014 0.000 2.418 723 I HA 0.403 4.573 4.170 -0.000 0.000 0.287 723 I C -0.559 175.566 176.117 0.014 0.000 1.008 723 I CA -0.419 60.890 61.300 0.014 0.000 1.104 723 I CB 1.413 39.422 38.000 0.016 0.000 1.264 723 I HN 0.506 nan 8.210 nan 0.000 0.438 724 T N 7.198 121.758 114.554 0.010 0.000 2.744 724 T HA 0.482 4.832 4.350 -0.000 0.000 0.291 724 T C -0.256 174.447 174.700 0.005 0.000 0.957 724 T CA -0.286 61.819 62.100 0.009 0.000 1.002 724 T CB 1.185 70.055 68.868 0.003 0.000 0.919 724 T HN 0.356 nan 8.240 nan 0.000 0.468 725 V N 4.683 124.609 119.914 0.019 0.000 2.384 725 V HA 0.528 4.648 4.120 -0.000 0.000 0.287 725 V C 0.190 176.297 176.094 0.021 0.000 1.020 725 V CA -0.684 61.625 62.300 0.015 0.000 0.850 725 V CB 1.630 33.488 31.823 0.059 0.000 0.987 725 V HN 0.948 nan 8.190 nan 0.000 0.436 726 T N 3.267 117.798 114.554 -0.039 0.000 2.861 726 T HA 0.721 5.071 4.350 -0.000 0.000 0.287 726 T C 0.190 174.797 174.700 -0.156 0.000 1.003 726 T CA -0.536 61.536 62.100 -0.046 0.000 0.977 726 T CB 1.883 70.716 68.868 -0.060 0.000 0.996 726 T HN 0.924 nan 8.240 nan 0.000 0.448 727 G N 0.671 109.405 108.800 -0.109 0.000 2.448 727 G HA2 0.749 4.709 3.960 -0.000 0.000 0.324 727 G HA3 0.749 4.709 3.960 -0.000 0.000 0.324 727 G C -1.350 173.411 174.900 -0.232 0.000 1.203 727 G CA -0.912 43.984 45.100 -0.341 0.000 0.954 727 G HN 0.985 nan 8.290 nan 0.000 0.480 728 A N 0.279 122.802 122.820 -0.496 0.000 2.455 728 A HA 1.038 5.358 4.320 -0.000 0.000 0.300 728 A C 0.375 177.876 177.584 -0.138 0.000 1.040 728 A CA 0.371 52.295 52.037 -0.188 0.000 0.697 728 A CB 1.433 20.339 19.000 -0.157 0.000 1.265 728 A HN 2.630 nan 8.150 nan 0.000 0.407 729 G N 0.465 109.345 108.800 0.133 0.000 2.378 729 G HA2 0.153 4.113 3.960 -0.000 0.000 0.198 729 G HA3 0.153 4.113 3.960 -0.000 0.000 0.198 729 G C -0.483 174.645 174.900 0.380 0.000 1.223 729 G CA -0.033 45.206 45.100 0.232 0.000 1.088 729 G HN 1.172 nan 8.290 nan 0.000 0.530 730 E N 0.395 120.772 120.200 0.295 0.000 2.129 730 E HA 0.635 4.985 4.350 -0.000 0.000 0.268 730 E C -0.186 176.444 176.600 0.050 0.000 0.900 730 E CA -0.169 56.322 56.400 0.151 0.000 0.755 730 E CB 0.977 30.704 29.700 0.046 0.000 1.117 730 E HN 1.599 nan 8.360 nan 0.000 0.410 731 A N 4.251 127.024 122.820 -0.079 0.000 2.589 731 A HA 0.630 4.950 4.320 -0.000 0.000 0.296 731 A C -1.492 176.148 177.584 0.094 0.000 1.062 731 A CA -0.872 51.077 52.037 -0.147 0.000 0.686 731 A CB 1.676 20.053 19.000 -1.038 0.000 1.282 731 A HN 0.533 nan 8.150 nan 0.000 0.404 732 K N 1.067 121.562 120.400 0.159 0.000 2.375 732 K HA 0.603 4.922 4.320 -0.000 0.000 0.249 732 K C -0.164 176.510 176.600 0.124 0.000 0.942 732 K CA -0.715 55.649 56.287 0.128 0.000 0.806 732 K CB 1.319 33.853 32.500 0.058 0.000 1.227 732 K HN 0.672 nan 8.250 nan 0.000 0.430 733 N N 1.977 120.680 118.700 0.005 0.000 2.725 733 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 733 N C -1.133 174.404 175.510 0.045 0.000 1.031 733 N CA 0.943 53.970 53.050 -0.038 0.000 0.720 733 N CB -0.397 38.087 38.487 -0.005 0.000 0.930 733 N HN 0.551 nan 8.380 nan 0.000 0.543 734 W N 0.227 121.554 121.300 0.045 0.000 2.436 734 W HA 0.657 5.317 4.660 -0.000 0.000 0.347 734 W C 0.261 176.866 176.519 0.144 0.000 1.136 734 W CA -0.467 56.953 57.345 0.125 0.000 1.286 734 W CB 0.311 29.953 29.460 0.305 0.000 1.253 734 W HN 0.045 nan 8.180 nan 0.000 0.617 735 T N 0.265 115.096 114.554 0.463 0.000 2.916 735 T HA 0.631 4.981 4.350 -0.000 0.000 0.292 735 T C -1.203 173.786 174.700 0.481 0.000 1.064 735 T CA -1.018 61.251 62.100 0.281 0.000 1.011 735 T CB 2.270 71.198 68.868 0.100 0.000 1.152 735 T HN 0.557 nan 8.240 nan 0.000 0.510 736 L N 1.702 123.099 121.223 0.290 0.000 2.376 736 L HA 0.594 4.933 4.340 -0.000 0.000 0.275 736 L C -0.820 176.063 176.870 0.021 0.000 0.987 736 L CA -0.665 54.310 54.840 0.224 0.000 0.828 736 L CB 0.920 43.134 42.059 0.258 0.000 1.249 736 L HN 1.141 nan 8.230 nan 0.000 0.409 737 C N 6.752 125.970 119.300 -0.136 0.000 2.295 737 C HA 0.499 4.959 4.460 -0.000 0.000 0.331 737 C C 0.284 175.190 174.990 -0.140 0.000 1.280 737 C CA -0.757 58.148 59.018 -0.188 0.000 1.746 737 C CB 0.017 27.535 27.740 -0.370 0.000 2.328 737 C HN 0.750 nan 8.230 nan 0.000 0.521 738 L N 7.769 128.941 121.223 -0.085 0.000 2.328 738 L HA 0.367 4.707 4.340 -0.000 0.000 0.280 738 L C 0.601 177.415 176.870 -0.094 0.000 1.111 738 L CA -0.265 54.529 54.840 -0.076 0.000 0.909 738 L CB -0.323 41.716 42.059 -0.033 0.000 1.277 738 L HN 0.624 nan 8.230 nan 0.000 0.433 739 R N 3.453 123.846 120.500 -0.179 0.000 2.538 739 R HA -0.029 4.311 4.340 -0.000 0.000 0.282 739 R C 0.696 176.956 176.300 -0.066 0.000 1.009 739 R CA 0.200 56.193 56.100 -0.179 0.000 1.063 739 R CB 0.046 30.075 30.300 -0.452 0.000 0.945 739 R HN 0.606 nan 8.270 nan 0.000 0.414 740 N N 0.063 118.755 118.700 -0.013 0.000 2.753 740 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 740 N C -0.943 174.575 175.510 0.013 0.000 1.097 740 N CA 0.935 53.998 53.050 0.020 0.000 0.786 740 N CB -0.721 37.793 38.487 0.045 0.000 1.137 740 N HN 0.236 nan 8.380 nan 0.000 0.566 741 V N 1.721 121.635 119.914 -0.000 0.000 2.328 741 V HA 0.207 4.326 4.120 -0.000 0.000 0.278 741 V C 1.620 177.717 176.094 0.005 0.000 1.021 741 V CA -0.322 61.979 62.300 0.002 0.000 0.838 741 V CB 1.568 33.388 31.823 -0.005 0.000 0.999 741 V HN 0.116 nan 8.190 nan 0.000 0.447 742 V N 1.969 121.889 119.914 0.011 0.000 3.052 742 V HA 0.333 4.453 4.120 -0.000 0.000 0.254 742 V C 0.611 176.711 176.094 0.009 0.000 1.100 742 V CA 0.754 63.061 62.300 0.012 0.000 1.112 742 V CB -0.360 31.472 31.823 0.016 0.000 0.738 742 V HN 0.694 nan 8.190 nan 0.000 0.469 743 K N 0.779 121.184 120.400 0.008 0.000 2.535 743 K HA 0.640 4.960 4.320 -0.000 0.000 0.251 743 K C -1.140 175.463 176.600 0.006 0.000 0.942 743 K CA -0.356 55.936 56.287 0.007 0.000 0.798 743 K CB 2.610 35.115 32.500 0.008 0.000 1.267 743 K HN 0.223 nan 8.250 nan 0.000 0.434 744 V N 0.269 120.186 119.914 0.005 0.000 3.046 744 V HA 0.511 4.631 4.120 -0.000 0.000 0.316 744 V C 0.073 176.170 176.094 0.005 0.000 1.104 744 V CA -0.745 61.558 62.300 0.005 0.000 1.006 744 V CB 2.009 33.834 31.823 0.005 0.000 1.058 744 V HN 0.872 nan 8.190 nan 0.000 0.440 745 N N 0.792 119.495 118.700 0.006 0.000 2.415 745 N HA 0.470 5.210 4.740 -0.000 0.000 0.176 745 N C 0.459 175.972 175.510 0.005 0.000 1.042 745 N CA 1.108 54.161 53.050 0.005 0.000 0.902 745 N CB 0.450 38.941 38.487 0.006 0.000 0.986 745 N HN 1.161 nan 8.380 nan 0.000 0.447 746 G N -0.617 108.186 108.800 0.005 0.000 2.523 746 G HA2 0.523 4.483 3.960 -0.000 0.000 0.291 746 G HA3 0.523 4.483 3.960 -0.000 0.000 0.291 746 G C -2.262 172.641 174.900 0.005 0.000 1.450 746 G CA -0.580 44.523 45.100 0.004 0.000 0.790 746 G HN 0.035 nan 8.290 nan 0.000 0.496 747 L N 0.350 121.575 121.223 0.004 0.000 2.676 747 L HA 0.470 4.810 4.340 -0.000 0.000 0.262 747 L C -1.397 175.474 176.870 0.002 0.000 0.932 747 L CA -0.689 54.153 54.840 0.004 0.000 0.932 747 L CB 1.906 43.966 42.059 0.001 0.000 1.355 747 L HN 0.665 nan 8.230 nan 0.000 0.421 748 Q N 2.943 122.746 119.800 0.005 0.000 2.342 748 Q HA 0.386 4.726 4.340 -0.000 0.000 0.267 748 Q C -0.763 175.240 176.000 0.005 0.000 1.038 748 Q CA -0.604 55.202 55.803 0.004 0.000 0.832 748 Q CB 2.302 31.044 28.738 0.007 0.000 1.323 748 Q HN 0.735 nan 8.270 nan 0.000 0.448 749 D N -0.135 120.265 120.400 0.000 0.000 2.981 749 D HA -0.143 4.497 4.640 -0.000 0.000 0.223 749 D C -0.108 176.182 176.300 -0.017 0.000 1.151 749 D CA 1.769 55.767 54.000 -0.003 0.000 0.827 749 D CB -1.060 39.747 40.800 0.011 0.000 1.101 749 D HN 0.856 nan 8.370 nan 0.000 0.426 750 G N -1.762 107.025 108.800 -0.022 0.000 2.608 750 G HA2 0.645 4.605 3.960 -0.000 0.000 0.291 750 G HA3 0.645 4.605 3.960 -0.000 0.000 0.291 750 G C -0.947 173.933 174.900 -0.034 0.000 1.425 750 G CA -0.075 45.001 45.100 -0.041 0.000 0.787 750 G HN 0.481 nan 8.290 nan 0.000 0.484 751 S N -1.043 114.631 115.700 -0.044 0.000 2.638 751 S HA 0.811 5.281 4.470 -0.000 0.000 0.302 751 S C -0.482 174.101 174.600 -0.028 0.000 1.096 751 S CA -0.714 57.467 58.200 -0.033 0.000 0.953 751 S CB 2.026 65.204 63.200 -0.037 0.000 1.107 751 S HN 1.096 nan 8.310 nan 0.000 0.503 752 Q N 0.051 119.839 119.800 -0.019 0.000 2.433 752 Q HA 0.864 5.204 4.340 -0.000 0.000 0.279 752 Q C -1.303 174.690 176.000 -0.011 0.000 1.105 752 Q CA -1.539 54.256 55.803 -0.014 0.000 0.815 752 Q CB 2.095 30.829 28.738 -0.008 0.000 1.403 752 Q HN 1.049 nan 8.270 nan 0.000 0.435 753 A N 1.054 123.869 122.820 -0.008 0.000 2.594 753 A HA 0.462 4.782 4.320 -0.000 0.000 0.295 753 A C -1.295 176.289 177.584 0.001 0.000 1.071 753 A CA -0.836 51.199 52.037 -0.003 0.000 0.685 753 A CB 1.686 20.683 19.000 -0.005 0.000 1.285 753 A HN 0.785 nan 8.150 nan 0.000 0.405 754 E N 0.654 120.858 120.200 0.006 0.000 2.383 754 E HA 0.468 4.818 4.350 -0.000 0.000 0.264 754 E C 0.190 176.800 176.600 0.017 0.000 1.050 754 E CA 0.288 56.695 56.400 0.011 0.000 0.896 754 E CB 1.012 30.720 29.700 0.013 0.000 0.982 754 E HN 0.756 nan 8.360 nan 0.000 0.424 755 S N 0.798 116.512 115.700 0.023 0.000 2.618 755 S HA 0.191 4.661 4.470 -0.000 0.000 0.277 755 S C 0.494 175.122 174.600 0.047 0.000 1.138 755 S CA -0.846 57.376 58.200 0.037 0.000 0.844 755 S CB 1.550 64.775 63.200 0.042 0.000 1.127 755 S HN 0.551 nan 8.310 nan 0.000 0.474 756 E N 0.599 120.836 120.200 0.061 0.000 2.209 756 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 756 E C 1.454 178.101 176.600 0.080 0.000 0.993 756 E CA 1.478 57.920 56.400 0.070 0.000 0.819 756 E CB -0.187 29.562 29.700 0.083 0.000 0.745 756 E HN 0.682 nan 8.360 nan 0.000 0.477 757 Q N -0.540 119.313 119.800 0.089 0.000 2.392 757 Q HA 0.176 4.516 4.340 -0.000 0.000 0.203 757 Q C 0.539 176.570 176.000 0.051 0.000 0.917 757 Q CA 0.308 56.167 55.803 0.094 0.000 0.939 757 Q CB 1.242 30.067 28.738 0.146 0.000 1.063 757 Q HN 0.213 nan 8.270 nan 0.000 0.516 758 G N 0.166 108.986 108.800 0.035 0.000 2.354 758 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.582 758 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.582 758 G C -1.770 173.130 174.900 0.000 0.000 1.316 758 G CA -1.229 43.878 45.100 0.011 0.000 0.995 758 G HN -0.028 nan 8.290 nan 0.000 0.573 759 L N 0.062 121.281 121.223 -0.007 0.000 2.499 759 L HA 0.461 4.801 4.340 -0.000 0.000 0.273 759 L C 0.795 177.654 176.870 -0.019 0.000 1.195 759 L CA 0.037 54.873 54.840 -0.008 0.000 0.882 759 L CB 1.205 43.260 42.059 -0.005 0.000 1.133 759 L HN 0.529 nan 8.230 nan 0.000 0.483 760 V N 5.471 125.377 119.914 -0.014 0.000 2.370 760 V HA 0.394 4.514 4.120 -0.000 0.000 0.283 760 V C -0.057 176.031 176.094 -0.010 0.000 1.023 760 V CA -0.773 61.516 62.300 -0.018 0.000 0.857 760 V CB 1.646 33.460 31.823 -0.015 0.000 0.985 760 V HN 0.426 nan 8.190 nan 0.000 0.443 761 V N 5.564 125.478 119.914 0.001 0.000 2.427 761 V HA 0.439 4.559 4.120 -0.000 0.000 0.286 761 V C 0.024 176.101 176.094 -0.028 0.000 1.034 761 V CA -0.861 61.436 62.300 -0.005 0.000 0.893 761 V CB 1.672 33.504 31.823 0.015 0.000 0.982 761 V HN 0.830 nan 8.190 nan 0.000 0.452 762 K N 6.413 126.769 120.400 -0.073 0.000 2.339 762 K HA 0.457 4.776 4.320 -0.000 0.000 0.264 762 K C -2.704 173.776 176.600 -0.199 0.000 0.986 762 K CA -1.616 54.580 56.287 -0.152 0.000 0.866 762 K CB 1.907 34.335 32.500 -0.120 0.000 1.103 762 K HN 0.417 nan 8.250 nan 0.000 0.441 763 P HA 0.089 nan 4.420 nan 0.000 0.277 763 P C -0.117 177.041 177.300 -0.237 0.000 1.240 763 P CA -0.284 62.634 63.100 -0.305 0.000 0.798 763 P CB 1.306 32.669 31.700 -0.562 0.000 0.979 764 Q N 1.178 120.904 119.800 -0.123 0.000 2.016 764 Q HA 0.086 4.426 4.340 -0.000 0.000 0.200 764 Q C 1.463 177.421 176.000 -0.069 0.000 0.978 764 Q CA 2.237 57.991 55.803 -0.082 0.000 0.833 764 Q CB -0.812 27.904 28.738 -0.036 0.000 0.895 764 Q HN 0.773 nan 8.270 nan 0.000 0.427 765 G N -1.429 107.358 108.800 -0.022 0.000 3.420 765 G HA2 0.182 4.142 3.960 -0.000 0.000 0.183 765 G HA3 0.182 4.142 3.960 -0.000 0.000 0.183 765 G C -0.286 174.725 174.900 0.184 0.000 1.315 765 G CA -0.366 44.767 45.100 0.055 0.000 0.958 765 G HN 0.216 nan 8.290 nan 0.000 0.745 766 N N 0.713 119.547 118.700 0.223 0.000 2.338 766 N HA 0.551 5.291 4.740 -0.000 0.000 0.251 766 N C -0.618 175.021 175.510 0.215 0.000 1.199 766 N CA 0.123 53.370 53.050 0.328 0.000 0.879 766 N CB 1.437 40.094 38.487 0.284 0.000 1.159 766 N HN 0.547 nan 8.380 nan 0.000 0.514 767 A N 1.127 124.047 122.820 0.167 0.000 2.485 767 A HA 0.508 4.828 4.320 -0.000 0.000 0.285 767 A C -1.309 176.326 177.584 0.086 0.000 1.045 767 A CA -0.414 51.686 52.037 0.105 0.000 0.792 767 A CB 0.768 19.807 19.000 0.066 0.000 1.307 767 A HN 0.102 nan 8.150 nan 0.000 0.406 768 L N 1.014 122.288 121.223 0.086 0.000 2.323 768 L HA 0.891 5.231 4.340 -0.000 0.000 0.265 768 L C 0.102 176.998 176.870 0.043 0.000 1.012 768 L CA -0.695 54.183 54.840 0.063 0.000 0.820 768 L CB 2.632 44.742 42.059 0.085 0.000 1.334 768 L HN 0.717 nan 8.230 nan 0.000 0.427 769 T N 1.864 116.436 114.554 0.029 0.000 2.971 769 T HA 0.702 5.052 4.350 -0.000 0.000 0.304 769 T C -1.242 173.469 174.700 0.018 0.000 1.038 769 T CA -0.288 61.825 62.100 0.022 0.000 1.007 769 T CB 0.998 69.876 68.868 0.017 0.000 1.055 769 T HN 0.334 nan 8.240 nan 0.000 0.451 770 I N 3.480 124.060 120.570 0.017 0.000 2.465 770 I HA 0.391 4.561 4.170 -0.000 0.000 0.291 770 I C 0.082 176.206 176.117 0.011 0.000 1.014 770 I CA -0.616 60.692 61.300 0.014 0.000 1.093 770 I CB 2.574 40.583 38.000 0.015 0.000 1.267 770 I HN 0.544 nan 8.210 nan 0.000 0.431 771 T N 6.909 121.468 114.554 0.009 0.000 2.753 771 T HA 0.533 4.883 4.350 -0.000 0.000 0.297 771 T C 0.105 174.810 174.700 0.008 0.000 0.981 771 T CA -0.449 61.656 62.100 0.009 0.000 0.956 771 T CB 0.229 69.102 68.868 0.007 0.000 0.936 771 T HN 0.239 nan 8.240 nan 0.000 0.463 772 L N 2.471 123.699 121.223 0.009 0.000 2.466 772 L HA 0.453 4.793 4.340 -0.000 0.000 0.257 772 L C 1.956 178.831 176.870 0.008 0.000 1.189 772 L CA -0.872 53.974 54.840 0.009 0.000 0.813 772 L CB -0.104 41.961 42.059 0.010 0.000 1.118 772 L HN 0.891 nan 8.230 nan 0.000 0.471 773 H N 0.000 119.075 119.070 0.008 0.000 2.539 773 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 773 H CA 0.000 56.053 56.048 0.009 0.000 1.023 773 H CB 0.000 29.767 29.762 0.009 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496