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 2f2h_1_E 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 0.000 176.166 176.300 -0.224 0.000 1.140 1 M CA 0.000 55.170 55.300 -0.217 0.000 0.988 1 M CB 0.000 32.391 32.600 -0.349 0.000 1.302 2 K N 4.741 125.024 120.400 -0.195 0.000 2.383 2 K HA 0.359 4.679 4.320 0.000 0.000 0.286 2 K C 0.224 176.683 176.600 -0.234 0.000 1.051 2 K CA 0.183 56.361 56.287 -0.181 0.000 0.974 2 K CB 0.337 32.759 32.500 -0.130 0.000 0.968 2 K HN 0.672 nan 8.250 nan 0.000 0.475 3 I N 0.161 120.573 120.570 -0.263 0.000 3.132 3 I HA -0.089 4.081 4.170 0.000 0.000 0.255 3 I C 0.998 176.978 176.117 -0.229 0.000 1.118 3 I CA 0.170 61.280 61.300 -0.317 0.000 1.463 3 I CB -0.047 37.646 38.000 -0.511 0.000 1.356 3 I HN 0.483 nan 8.210 nan 0.000 0.463 4 S N 0.587 116.169 115.700 -0.196 0.000 2.614 4 S HA 0.138 4.608 4.470 0.000 0.000 0.265 4 S C -0.346 174.194 174.600 -0.100 0.000 1.303 4 S CA -0.436 57.686 58.200 -0.130 0.000 1.000 4 S CB 1.516 64.644 63.200 -0.120 0.000 0.935 4 S HN 0.233 nan 8.310 nan 0.000 0.551 5 D N 0.242 120.601 120.400 -0.067 0.000 2.432 5 D HA 0.504 5.144 4.640 0.000 0.000 0.265 5 D C 0.746 177.029 176.300 -0.029 0.000 1.160 5 D CA 0.809 54.784 54.000 -0.042 0.000 0.911 5 D CB 0.054 40.841 40.800 -0.022 0.000 1.052 5 D HN 1.098 nan 8.370 nan 0.000 0.508 6 G N 3.556 112.322 108.800 -0.057 0.000 2.749 6 G HA2 -0.383 3.578 3.960 0.000 0.000 0.242 6 G HA3 -0.383 3.578 3.960 0.000 0.000 0.242 6 G C 0.884 175.676 174.900 -0.179 0.000 1.364 6 G CA 0.116 45.163 45.100 -0.088 0.000 0.888 6 G HN 0.545 nan 8.290 nan 0.000 0.566 7 N N -0.793 117.688 118.700 -0.364 0.000 2.309 7 N HA -0.011 4.729 4.740 0.000 0.000 0.182 7 N C 1.902 177.069 175.510 -0.571 0.000 1.018 7 N CA 2.445 55.139 53.050 -0.593 0.000 0.876 7 N CB -0.123 37.778 38.487 -0.977 0.000 0.972 7 N HN 0.621 nan 8.380 nan 0.000 0.434 8 W N -0.240 121.050 121.300 -0.016 0.000 2.996 8 W HA 0.392 5.052 4.660 0.000 0.000 0.270 8 W C 0.146 176.657 176.519 -0.013 0.000 1.280 8 W CA -0.556 56.781 57.345 -0.013 0.000 1.549 8 W CB 0.420 29.873 29.460 -0.011 0.000 1.079 8 W HN -0.113 nan 8.180 nan 0.000 0.629 9 L N -0.391 120.915 121.223 0.139 0.000 2.277 9 L HA 0.619 4.959 4.340 0.000 0.000 0.254 9 L C -0.560 176.322 176.870 0.020 0.000 1.044 9 L CA -1.367 53.525 54.840 0.087 0.000 0.842 9 L CB 2.021 44.130 42.059 0.084 0.000 1.422 9 L HN -0.352 nan 8.230 nan 0.000 0.422 10 I N 0.036 120.609 120.570 0.007 0.000 2.569 10 I HA 0.252 4.422 4.170 0.000 0.000 0.296 10 I C -0.456 175.637 176.117 -0.039 0.000 1.028 10 I CA -0.922 60.360 61.300 -0.030 0.000 1.082 10 I CB 1.920 39.904 38.000 -0.026 0.000 1.264 10 I HN 0.480 nan 8.210 nan 0.000 0.429 11 Q N 4.475 124.234 119.800 -0.069 0.000 2.304 11 Q HA 0.053 4.393 4.340 0.000 0.000 0.315 11 Q C -2.262 173.707 176.000 -0.053 0.000 1.075 11 Q CA -1.027 54.735 55.803 -0.068 0.000 0.988 11 Q CB -0.236 28.441 28.738 -0.101 0.000 1.146 11 Q HN 0.225 nan 8.270 nan 0.000 0.383 12 P HA 0.004 nan 4.420 nan 0.000 0.265 12 P C 0.680 177.960 177.300 -0.034 0.000 1.193 12 P CA 1.027 64.110 63.100 -0.029 0.000 0.765 12 P CB 0.460 32.147 31.700 -0.022 0.000 0.823 13 G N 1.919 110.702 108.800 -0.028 0.000 2.225 13 G HA2 -0.226 3.734 3.960 0.000 0.000 0.254 13 G HA3 -0.226 3.734 3.960 0.000 0.000 0.254 13 G C -0.107 174.769 174.900 -0.040 0.000 0.988 13 G CA -0.330 44.753 45.100 -0.029 0.000 0.625 13 G HN 0.462 nan 8.290 nan 0.000 0.527 14 L N 1.244 122.434 121.223 -0.055 0.000 2.292 14 L HA 0.455 4.795 4.340 0.000 0.000 0.284 14 L C -0.501 176.329 176.870 -0.066 0.000 1.065 14 L CA -0.856 53.938 54.840 -0.076 0.000 0.806 14 L CB 1.106 43.097 42.059 -0.114 0.000 1.175 14 L HN 0.033 nan 8.230 nan 0.000 0.431 15 N N 5.004 123.662 118.700 -0.071 0.000 2.424 15 N HA 0.500 5.240 4.740 0.000 0.000 0.271 15 N C -0.763 174.697 175.510 -0.084 0.000 0.985 15 N CA -0.389 52.627 53.050 -0.057 0.000 0.921 15 N CB 2.204 40.671 38.487 -0.033 0.000 1.149 15 N HN 0.419 nan 8.380 nan 0.000 0.492 16 L N 2.723 123.893 121.223 -0.088 0.000 2.322 16 L HA 0.651 4.991 4.340 0.000 0.000 0.279 16 L C 0.383 177.115 176.870 -0.230 0.000 1.036 16 L CA -1.068 53.672 54.840 -0.166 0.000 0.807 16 L CB 1.024 42.977 42.059 -0.176 0.000 1.226 16 L HN 0.434 nan 8.230 nan 0.000 0.433 17 I N -1.371 119.049 120.570 -0.250 0.000 2.582 17 I HA 0.567 4.737 4.170 0.000 0.000 0.292 17 I C -1.003 174.994 176.117 -0.200 0.000 1.066 17 I CA -0.525 60.682 61.300 -0.154 0.000 1.053 17 I CB 2.184 40.213 38.000 0.048 0.000 1.241 17 I HN 0.512 nan 8.210 nan 0.000 0.421 18 H N 3.615 122.748 119.070 0.104 0.000 2.768 18 H HA 0.471 5.027 4.556 0.000 0.000 0.371 18 H C -2.767 172.362 175.328 -0.333 0.000 1.151 18 H CA -2.168 53.757 56.048 -0.205 0.000 1.165 18 H CB 2.236 31.874 29.762 -0.207 0.000 1.722 18 H HN 0.395 nan 8.280 nan 0.000 0.543 19 P HA 0.124 nan 4.420 nan 0.000 0.275 19 P C 0.501 177.163 177.300 -1.062 0.000 1.276 19 P CA 0.038 62.677 63.100 -0.767 0.000 0.782 19 P CB 0.704 31.794 31.700 -1.017 0.000 0.851 20 L N 1.907 122.760 121.223 -0.616 0.000 2.672 20 L HA 0.275 4.615 4.340 0.000 0.000 0.236 20 L C 0.932 177.693 176.870 -0.182 0.000 1.092 20 L CA 0.405 54.982 54.840 -0.439 0.000 0.887 20 L CB 0.419 42.382 42.059 -0.161 0.000 1.168 20 L HN 0.405 nan 8.230 nan 0.000 0.502 21 Q N 0.349 120.096 119.800 -0.088 0.000 2.378 21 Q HA 0.277 4.617 4.340 0.000 0.000 0.262 21 Q C -1.555 174.647 176.000 0.337 0.000 0.978 21 Q CA -0.366 55.570 55.803 0.221 0.000 0.918 21 Q CB 2.775 31.585 28.738 0.121 0.000 1.415 21 Q HN -0.161 nan 8.270 nan 0.000 0.409 22 V N 5.310 125.502 119.914 0.463 0.000 2.521 22 V HA 0.056 4.176 4.120 0.000 0.000 0.286 22 V C 0.462 176.763 176.094 0.345 0.000 1.034 22 V CA 0.623 63.178 62.300 0.425 0.000 1.045 22 V CB 0.457 32.467 31.823 0.311 0.000 0.974 22 V HN 0.844 nan 8.190 nan 0.000 0.480 23 F N 3.448 123.537 119.950 0.232 0.000 2.383 23 F HA 0.353 4.880 4.527 0.000 0.000 0.287 23 F C 0.940 176.844 175.800 0.174 0.000 1.069 23 F CA 0.711 58.818 58.000 0.178 0.000 1.402 23 F CB 0.526 39.628 39.000 0.171 0.000 1.116 23 F HN 0.560 nan 8.300 nan 0.000 0.549 24 E N 0.111 120.401 120.200 0.150 0.000 2.380 24 E HA 0.472 4.822 4.350 0.000 0.000 0.281 24 E C -2.033 174.728 176.600 0.268 0.000 0.999 24 E CA -0.676 55.757 56.400 0.055 0.000 0.800 24 E CB 2.322 31.993 29.700 -0.049 0.000 1.228 24 E HN -0.153 nan 8.360 nan 0.000 0.436 25 V N 2.576 122.589 119.914 0.164 0.000 2.604 25 V HA 0.533 4.653 4.120 0.000 0.000 0.305 25 V C -0.635 175.549 176.094 0.150 0.000 1.043 25 V CA -0.635 61.758 62.300 0.155 0.000 0.888 25 V CB 1.760 33.637 31.823 0.089 0.000 0.995 25 V HN 0.672 nan 8.190 nan 0.000 0.429 26 E N 3.071 123.368 120.200 0.162 0.000 2.290 26 E HA 0.380 4.730 4.350 0.000 0.000 0.274 26 E C -1.226 175.445 176.600 0.118 0.000 0.889 26 E CA -0.649 55.840 56.400 0.148 0.000 0.760 26 E CB 2.228 32.062 29.700 0.223 0.000 1.206 26 E HN 0.761 nan 8.360 nan 0.000 0.419 27 Q N 3.586 123.445 119.800 0.099 0.000 2.296 27 Q HA 0.180 4.520 4.340 0.000 0.000 0.257 27 Q C -0.954 175.100 176.000 0.090 0.000 0.942 27 Q CA -0.173 55.689 55.803 0.099 0.000 0.939 27 Q CB 1.006 29.795 28.738 0.085 0.000 1.198 27 Q HN 0.480 nan 8.270 nan 0.000 0.429 28 Q N 4.683 124.539 119.800 0.092 0.000 2.644 28 Q HA 0.168 4.508 4.340 0.000 0.000 0.245 28 Q C -0.811 175.234 176.000 0.076 0.000 1.064 28 Q CA -0.392 55.456 55.803 0.074 0.000 0.860 28 Q CB 0.813 29.588 28.738 0.061 0.000 1.145 28 Q HN 0.896 nan 8.270 nan 0.000 0.515 29 D N 1.460 121.903 120.400 0.072 0.000 4.235 29 D HA -0.216 4.424 4.640 0.000 0.000 0.139 29 D C 0.213 176.575 176.300 0.103 0.000 0.834 29 D CA 1.691 55.734 54.000 0.072 0.000 1.081 29 D CB -0.640 40.196 40.800 0.060 0.000 0.567 29 D HN 0.696 nan 8.370 nan 0.000 0.575 30 N N 2.142 120.917 118.700 0.125 0.000 2.327 30 N HA 0.073 4.813 4.740 0.000 0.000 0.231 30 N C -0.647 175.056 175.510 0.322 0.000 1.130 30 N CA 0.418 53.583 53.050 0.191 0.000 0.845 30 N CB 0.255 38.835 38.487 0.156 0.000 1.073 30 N HN 0.370 nan 8.380 nan 0.000 0.496 31 E N 0.221 120.564 120.200 0.240 0.000 2.288 31 E HA 0.346 4.696 4.350 0.000 0.000 0.268 31 E C -1.098 175.614 176.600 0.186 0.000 0.885 31 E CA -0.745 55.778 56.400 0.204 0.000 0.767 31 E CB 2.553 32.312 29.700 0.099 0.000 1.220 31 E HN 0.111 nan 8.360 nan 0.000 0.427 32 M N 2.745 122.445 119.600 0.167 0.000 2.167 32 M HA 0.349 4.829 4.480 0.000 0.000 0.333 32 M C -1.659 174.744 176.300 0.171 0.000 1.030 32 M CA -0.775 54.633 55.300 0.180 0.000 0.963 32 M CB 1.210 33.935 32.600 0.209 0.000 1.589 32 M HN 0.260 nan 8.290 nan 0.000 0.431 33 V N 5.740 125.711 119.914 0.094 0.000 2.398 33 V HA 0.530 4.650 4.120 0.000 0.000 0.286 33 V C -0.623 175.445 176.094 -0.043 0.000 1.026 33 V CA -0.715 61.568 62.300 -0.029 0.000 0.868 33 V CB 1.674 33.422 31.823 -0.126 0.000 0.982 33 V HN 0.648 nan 8.190 nan 0.000 0.443 34 V N 5.296 125.179 119.914 -0.051 0.000 2.444 34 V HA 0.435 4.555 4.120 0.000 0.000 0.294 34 V C -1.051 175.004 176.094 -0.065 0.000 1.022 34 V CA -0.812 61.522 62.300 0.055 0.000 0.850 34 V CB 1.457 33.439 31.823 0.265 0.000 0.992 34 V HN 0.737 nan 8.190 nan 0.000 0.426 35 Y N 3.001 123.465 120.300 0.275 0.000 2.350 35 Y HA 0.688 5.238 4.550 0.000 0.000 0.340 35 Y C 0.556 176.666 175.900 0.350 0.000 1.006 35 Y CA -0.357 57.923 58.100 0.300 0.000 1.166 35 Y CB 1.426 40.086 38.460 0.334 0.000 1.168 35 Y HN 0.715 nan 8.280 nan 0.000 0.502 36 A N 2.381 125.457 122.820 0.427 0.000 2.374 36 A HA 0.877 5.197 4.320 0.000 0.000 0.305 36 A C -0.803 176.938 177.584 0.262 0.000 1.053 36 A CA -0.628 51.606 52.037 0.328 0.000 0.726 36 A CB 0.675 19.789 19.000 0.189 0.000 1.229 36 A HN 0.801 nan 8.150 nan 0.000 0.431 37 A N 3.044 125.973 122.820 0.181 0.000 2.282 37 A HA 0.815 5.135 4.320 0.000 0.000 0.319 37 A C -2.050 175.584 177.584 0.082 0.000 1.121 37 A CA -1.761 50.349 52.037 0.122 0.000 0.836 37 A CB 0.477 19.513 19.000 0.059 0.000 1.146 37 A HN 0.498 nan 8.150 nan 0.000 0.494 38 P HA 0.065 nan 4.420 nan 0.000 0.249 38 P C -0.009 177.304 177.300 0.022 0.000 1.229 38 P CA 0.575 63.725 63.100 0.083 0.000 0.788 38 P CB -0.001 31.777 31.700 0.130 0.000 1.072 39 R N -2.264 118.237 120.500 0.001 0.000 2.906 39 R HA 0.508 4.848 4.340 0.000 0.000 0.258 39 R C -1.115 175.151 176.300 -0.057 0.000 1.156 39 R CA -0.886 55.182 56.100 -0.052 0.000 0.996 39 R CB -0.260 29.993 30.300 -0.078 0.000 1.259 39 R HN -0.344 nan 8.270 nan 0.000 0.462 40 D N 1.226 121.545 120.400 -0.134 0.000 2.371 40 D HA 0.154 4.794 4.640 0.000 0.000 0.256 40 D C 0.345 176.605 176.300 -0.067 0.000 1.193 40 D CA -0.071 53.859 54.000 -0.117 0.000 0.881 40 D CB 1.510 42.181 40.800 -0.214 0.000 1.143 40 D HN 0.468 nan 8.370 nan 0.000 0.473 41 V N 1.675 121.627 119.914 0.063 0.000 3.017 41 V HA 0.336 4.456 4.120 0.000 0.000 0.354 41 V C 1.536 177.766 176.094 0.227 0.000 1.389 41 V CA -0.431 61.957 62.300 0.147 0.000 1.163 41 V CB 0.031 31.895 31.823 0.068 0.000 1.178 41 V HN 0.334 nan 8.190 nan 0.000 0.547 42 R N 0.989 121.596 120.500 0.179 0.000 2.092 42 R HA 0.032 4.372 4.340 0.000 0.000 0.231 42 R C 0.257 176.665 176.300 0.181 0.000 1.119 42 R CA 1.312 57.517 56.100 0.176 0.000 0.970 42 R CB 0.072 30.432 30.300 0.100 0.000 0.864 42 R HN 0.661 nan 8.270 nan 0.000 0.440 43 E N 0.742 121.065 120.200 0.206 0.000 2.316 43 E HA 0.049 4.399 4.350 0.000 0.000 0.275 43 E C 0.589 177.324 176.600 0.224 0.000 1.029 43 E CA -0.100 56.440 56.400 0.233 0.000 0.871 43 E CB 0.529 30.445 29.700 0.359 0.000 1.022 43 E HN -0.015 nan 8.360 nan 0.000 0.418 44 R N 1.648 122.232 120.500 0.140 0.000 2.120 44 R HA -0.141 4.199 4.340 0.000 0.000 0.234 44 R C 1.921 178.242 176.300 0.034 0.000 1.123 44 R CA 1.508 57.661 56.100 0.090 0.000 0.975 44 R CB -0.656 29.678 30.300 0.056 0.000 0.866 44 R HN 0.590 nan 8.270 nan 0.000 0.446 45 T N -0.677 113.870 114.554 -0.011 0.000 2.897 45 T HA -0.141 4.209 4.350 0.000 0.000 0.271 45 T C 0.797 175.287 174.700 -0.349 0.000 1.084 45 T CA 1.031 63.008 62.100 -0.205 0.000 1.123 45 T CB -0.116 68.577 68.868 -0.291 0.000 0.865 45 T HN 0.449 nan 8.240 nan 0.000 0.496 46 W N 1.092 122.390 121.300 -0.004 0.000 3.239 46 W HA 0.400 5.060 4.660 0.000 0.000 0.348 46 W C 1.119 177.613 176.519 -0.041 0.000 1.183 46 W CA -0.695 56.642 57.345 -0.014 0.000 1.819 46 W CB 0.275 29.734 29.460 -0.002 0.000 1.091 46 W HN 0.179 nan 8.180 nan 0.000 0.629 47 Q N 2.205 122.058 119.800 0.089 0.000 2.894 47 Q HA 0.328 4.668 4.340 0.000 0.000 0.358 47 Q C -0.330 175.639 176.000 -0.052 0.000 1.155 47 Q CA 0.103 55.894 55.803 -0.019 0.000 0.960 47 Q CB -0.356 28.364 28.738 -0.030 0.000 1.428 47 Q HN 0.302 nan 8.270 nan 0.000 0.437 48 L N -4.870 116.338 121.223 -0.026 0.000 3.055 48 L HA 0.350 4.690 4.340 0.000 0.000 0.260 48 L C -1.480 175.388 176.870 -0.004 0.000 0.986 48 L CA -1.195 53.625 54.840 -0.034 0.000 1.009 48 L CB 1.050 43.080 42.059 -0.049 0.000 1.508 48 L HN -0.112 nan 8.230 nan 0.000 0.407 49 D N 0.297 120.693 120.400 -0.006 0.000 2.697 49 D HA -0.136 4.504 4.640 0.000 0.000 0.235 49 D C -0.211 176.115 176.300 0.044 0.000 1.167 49 D CA 1.866 55.877 54.000 0.017 0.000 0.656 49 D CB -0.716 40.093 40.800 0.015 0.000 1.025 49 D HN 0.934 nan 8.370 nan 0.000 0.419 50 T N -1.037 113.532 114.554 0.025 0.000 2.982 50 T HA 0.499 4.849 4.350 0.000 0.000 0.321 50 T C -2.549 172.147 174.700 -0.006 0.000 1.229 50 T CA -1.303 60.812 62.100 0.025 0.000 1.044 50 T CB 1.680 70.568 68.868 0.034 0.000 1.184 50 T HN -0.239 nan 8.240 nan 0.000 0.477 51 P HA 0.525 nan 4.420 nan 0.000 0.274 51 P C -1.307 175.919 177.300 -0.122 0.000 1.260 51 P CA -0.832 62.215 63.100 -0.087 0.000 0.793 51 P CB 0.463 32.056 31.700 -0.178 0.000 1.048 52 L N 0.896 121.998 121.223 -0.200 0.000 2.588 52 L HA 0.395 4.735 4.340 0.000 0.000 0.263 52 L C -1.550 175.236 176.870 -0.141 0.000 0.935 52 L CA -0.467 54.321 54.840 -0.087 0.000 0.891 52 L CB 1.039 43.090 42.059 -0.015 0.000 1.318 52 L HN 0.299 nan 8.230 nan 0.000 0.409 53 F N 1.852 121.854 119.950 0.087 0.000 2.379 53 F HA 0.491 5.018 4.527 0.000 0.000 0.332 53 F C 0.780 176.643 175.800 0.105 0.000 1.096 53 F CA -0.216 57.829 58.000 0.076 0.000 1.105 53 F CB 2.008 41.020 39.000 0.021 0.000 1.189 53 F HN 0.308 nan 8.300 nan 0.000 0.515 54 T N 4.597 119.299 114.554 0.246 0.000 2.791 54 T HA 0.561 4.911 4.350 0.000 0.000 0.288 54 T C -0.661 174.049 174.700 0.016 0.000 0.999 54 T CA -0.529 61.602 62.100 0.052 0.000 0.952 54 T CB 0.589 69.471 68.868 0.023 0.000 0.938 54 T HN 0.167 nan 8.240 nan 0.000 0.444 55 L N 3.416 124.613 121.223 -0.043 0.000 2.296 55 L HA 0.600 4.940 4.340 0.000 0.000 0.286 55 L C 0.377 177.103 176.870 -0.239 0.000 1.023 55 L CA -0.435 54.330 54.840 -0.125 0.000 0.812 55 L CB 1.221 43.282 42.059 0.002 0.000 1.223 55 L HN 0.426 nan 8.230 nan 0.000 0.421 56 R N 2.931 123.211 120.500 -0.367 0.000 2.480 56 R HA 0.610 4.950 4.340 0.000 0.000 0.306 56 R C -1.636 174.404 176.300 -0.433 0.000 0.958 56 R CA -0.511 55.434 56.100 -0.258 0.000 0.861 56 R CB 0.966 31.169 30.300 -0.161 0.000 1.171 56 R HN 0.373 nan 8.270 nan 0.000 0.445 57 F N 5.777 125.636 119.950 -0.152 0.000 2.458 57 F HA 0.534 5.061 4.527 0.000 0.000 0.336 57 F C -0.324 175.079 175.800 -0.661 0.000 1.114 57 F CA -0.591 57.132 58.000 -0.462 0.000 0.987 57 F CB 1.382 40.007 39.000 -0.624 0.000 1.130 57 F HN 0.435 nan 8.300 nan 0.000 0.458 58 F N -0.269 119.247 119.950 -0.722 0.000 2.713 58 F HA 0.705 5.232 4.527 0.000 0.000 0.311 58 F C -1.125 174.678 175.800 0.005 0.000 1.141 58 F CA -1.429 56.346 58.000 -0.373 0.000 0.939 58 F CB 1.526 40.455 39.000 -0.118 0.000 1.325 58 F HN 0.237 nan 8.300 nan 0.000 0.453 59 S N 2.089 117.989 115.700 0.334 0.000 2.707 59 S HA 0.525 4.995 4.470 0.000 0.000 0.312 59 S C -2.045 172.662 174.600 0.179 0.000 1.116 59 S CA -1.494 56.839 58.200 0.221 0.000 1.078 59 S CB 1.370 64.749 63.200 0.297 0.000 0.997 59 S HN 0.592 nan 8.310 nan 0.000 0.477 60 P HA 0.091 nan 4.420 nan 0.000 0.227 60 P C -0.392 176.879 177.300 -0.048 0.000 1.161 60 P CA 0.715 63.847 63.100 0.052 0.000 0.788 60 P CB 0.285 31.964 31.700 -0.035 0.000 0.822 61 Q N -0.959 118.756 119.800 -0.142 0.000 2.522 61 Q HA 0.174 4.514 4.340 0.000 0.000 0.285 61 Q C -0.589 175.348 176.000 -0.105 0.000 0.982 61 Q CA -0.662 55.066 55.803 -0.126 0.000 0.805 61 Q CB 1.635 30.252 28.738 -0.201 0.000 1.457 61 Q HN 0.009 nan 8.270 nan 0.000 0.394 62 E N 0.214 120.371 120.200 -0.071 0.000 2.415 62 E HA 0.161 4.511 4.350 0.000 0.000 0.263 62 E C 0.582 177.142 176.600 -0.067 0.000 0.995 62 E CA 1.537 57.903 56.400 -0.057 0.000 0.915 62 E CB 0.282 29.954 29.700 -0.047 0.000 0.951 62 E HN 0.800 nan 8.360 nan 0.000 0.449 63 G N 4.287 113.056 108.800 -0.051 0.000 2.159 63 G HA2 -0.241 3.719 3.960 0.000 0.000 0.256 63 G HA3 -0.241 3.719 3.960 0.000 0.000 0.256 63 G C 0.312 175.186 174.900 -0.044 0.000 0.977 63 G CA 0.362 45.438 45.100 -0.039 0.000 0.652 63 G HN 0.525 nan 8.290 nan 0.000 0.531 64 I N 0.901 121.423 120.570 -0.080 0.000 2.378 64 I HA 0.486 4.657 4.170 0.000 0.000 0.291 64 I C -0.034 176.075 176.117 -0.014 0.000 0.992 64 I CA -1.126 60.108 61.300 -0.109 0.000 1.154 64 I CB 2.052 39.840 38.000 -0.354 0.000 1.315 64 I HN -0.143 nan 8.210 nan 0.000 0.448 65 V N 5.288 125.226 119.914 0.040 0.000 2.357 65 V HA 0.464 4.584 4.120 0.000 0.000 0.284 65 V C 0.689 176.692 176.094 -0.151 0.000 1.018 65 V CA -0.542 61.799 62.300 0.069 0.000 0.841 65 V CB 1.380 33.358 31.823 0.257 0.000 0.991 65 V HN 0.901 nan 8.190 nan 0.000 0.437 66 G N 3.592 112.066 108.800 -0.543 0.000 2.395 66 G HA2 0.547 4.507 3.960 0.000 0.000 0.283 66 G HA3 0.547 4.507 3.960 0.000 0.000 0.283 66 G C -0.807 173.478 174.900 -1.026 0.000 1.178 66 G CA -0.281 44.060 45.100 -1.263 0.000 0.837 66 G HN 0.580 nan 8.290 nan 0.000 0.518 67 V N 2.617 121.966 119.914 -0.942 0.000 2.482 67 V HA 0.492 4.612 4.120 0.000 0.000 0.295 67 V C 0.039 175.793 176.094 -0.566 0.000 1.026 67 V CA -0.879 60.916 62.300 -0.841 0.000 0.856 67 V CB 1.494 32.699 31.823 -1.029 0.000 1.001 67 V HN 0.827 nan 8.190 nan 0.000 0.424 68 R N 4.929 125.230 120.500 -0.331 0.000 2.337 68 R HA 0.667 5.007 4.340 0.000 0.000 0.319 68 R C -1.145 175.109 176.300 -0.077 0.000 0.954 68 R CA -0.565 55.487 56.100 -0.080 0.000 0.840 68 R CB 1.498 31.793 30.300 -0.007 0.000 1.164 68 R HN 0.836 nan 8.270 nan 0.000 0.472 69 I N 4.379 124.986 120.570 0.062 0.000 2.339 69 I HA 0.332 4.502 4.170 0.000 0.000 0.290 69 I C -0.798 175.464 176.117 0.241 0.000 0.994 69 I CA -0.244 61.118 61.300 0.104 0.000 1.191 69 I CB 0.987 39.025 38.000 0.064 0.000 1.343 69 I HN 0.717 nan 8.210 nan 0.000 0.458 70 E N 5.966 126.316 120.200 0.250 0.000 2.288 70 E HA 0.301 4.651 4.350 0.000 0.000 0.268 70 E C -0.862 175.886 176.600 0.247 0.000 0.885 70 E CA -0.779 55.788 56.400 0.279 0.000 0.767 70 E CB 2.100 31.932 29.700 0.219 0.000 1.220 70 E HN 0.736 nan 8.360 nan 0.000 0.427 71 H N 2.014 121.087 119.070 0.004 0.000 2.599 71 H HA 0.181 4.737 4.556 0.000 0.000 0.330 71 H C -0.367 174.904 175.328 -0.094 0.000 1.312 71 H CA -0.120 55.722 56.048 -0.343 0.000 1.985 71 H CB 0.268 29.555 29.762 -0.791 0.000 1.570 71 H HN 0.384 nan 8.280 nan 0.000 0.647 72 F N 1.988 121.666 119.950 -0.453 0.000 2.420 72 F HA 0.180 4.707 4.527 0.000 0.000 0.352 72 F C 1.362 177.103 175.800 -0.098 0.000 1.108 72 F CA -0.300 57.498 58.000 -0.337 0.000 1.162 72 F CB 1.375 40.183 39.000 -0.320 0.000 1.118 72 F HN 0.419 nan 8.300 nan 0.000 0.510 73 Q N 1.917 121.778 119.800 0.101 0.000 2.425 73 Q HA 0.063 4.403 4.340 0.000 0.000 0.204 73 Q C 1.913 177.928 176.000 0.025 0.000 0.933 73 Q CA 0.554 56.386 55.803 0.048 0.000 0.939 73 Q CB 0.220 28.963 28.738 0.008 0.000 1.044 73 Q HN 0.995 nan 8.270 nan 0.000 0.513 74 G N 0.610 109.410 108.800 0.001 0.000 2.920 74 G HA2 0.210 4.170 3.960 0.000 0.000 0.208 74 G HA3 0.210 4.170 3.960 0.000 0.000 0.208 74 G C 0.471 175.385 174.900 0.023 0.000 1.159 74 G CA 0.285 45.369 45.100 -0.027 0.000 0.784 74 G HN 0.320 nan 8.290 nan 0.000 0.535 75 A N -0.281 122.590 122.820 0.085 0.000 2.386 75 A HA 0.524 4.844 4.320 0.000 0.000 0.246 75 A C 1.516 179.157 177.584 0.096 0.000 1.089 75 A CA -0.417 51.688 52.037 0.113 0.000 0.790 75 A CB 0.461 19.567 19.000 0.177 0.000 1.042 75 A HN 0.174 nan 8.150 nan 0.000 0.497 76 L N 0.413 121.693 121.223 0.096 0.000 2.017 76 L HA -0.171 4.169 4.340 0.000 0.000 0.208 76 L C 0.618 177.554 176.870 0.109 0.000 1.073 76 L CA 1.464 56.356 54.840 0.086 0.000 0.745 76 L CB -0.771 41.335 42.059 0.077 0.000 0.894 76 L HN 0.922 nan 8.230 nan 0.000 0.432 77 N N 1.148 119.940 118.700 0.154 0.000 2.689 77 N HA -0.181 4.559 4.740 0.000 0.000 0.263 77 N C -0.652 174.975 175.510 0.194 0.000 0.987 77 N CA -0.199 52.979 53.050 0.212 0.000 0.782 77 N CB -1.157 37.472 38.487 0.238 0.000 0.903 77 N HN 0.406 nan 8.380 nan 0.000 0.547 78 N N 0.382 119.159 118.700 0.128 0.000 2.467 78 N HA 0.227 4.967 4.740 0.000 0.000 0.262 78 N C 1.206 176.673 175.510 -0.071 0.000 1.234 78 N CA 0.255 53.346 53.050 0.067 0.000 0.952 78 N CB 0.545 39.060 38.487 0.046 0.000 1.158 78 N HN 0.361 nan 8.380 nan 0.000 0.463 79 G N 0.411 109.072 108.800 -0.232 0.000 2.570 79 G HA2 0.225 4.185 3.960 0.000 0.000 0.276 79 G HA3 0.225 4.185 3.960 0.000 0.000 0.276 79 G C -2.320 172.356 174.900 -0.373 0.000 1.346 79 G CA -0.563 44.147 45.100 -0.650 0.000 1.034 79 G HN 0.359 nan 8.290 nan 0.000 0.512 80 P HA 0.206 nan 4.420 nan 0.000 0.274 80 P C -0.816 176.015 177.300 -0.781 0.000 1.237 80 P CA -0.033 62.739 63.100 -0.547 0.000 0.793 80 P CB 1.009 32.394 31.700 -0.524 0.000 0.977 81 H N -0.381 118.486 119.070 -0.338 0.000 2.710 81 H HA 0.311 4.867 4.556 0.000 0.000 0.361 81 H C 0.012 175.123 175.328 -0.362 0.000 1.175 81 H CA -0.291 55.571 56.048 -0.309 0.000 1.206 81 H CB 0.295 29.976 29.762 -0.135 0.000 1.750 81 H HN 0.345 nan 8.280 nan 0.000 0.553 82 Y N 1.452 121.684 120.300 -0.113 0.000 2.457 82 Y HA 0.068 4.618 4.550 0.000 0.000 0.341 82 Y C -1.415 174.344 175.900 -0.235 0.000 1.240 82 Y CA -2.150 55.822 58.100 -0.214 0.000 1.437 82 Y CB -0.007 38.353 38.460 -0.166 0.000 1.328 82 Y HN 0.340 nan 8.280 nan 0.000 0.588 83 P HA 0.105 nan 4.420 nan 0.000 0.220 83 P C -0.898 176.248 177.300 -0.257 0.000 1.806 83 P CA -0.039 62.950 63.100 -0.184 0.000 0.976 83 P CB -0.310 31.238 31.700 -0.253 0.000 1.952 84 L N 1.932 122.990 121.223 -0.274 0.000 2.371 84 L HA 0.221 4.561 4.340 0.000 0.000 0.272 84 L C 0.944 177.673 176.870 -0.235 0.000 1.124 84 L CA 0.313 54.873 54.840 -0.468 0.000 0.816 84 L CB -0.057 41.708 42.059 -0.490 0.000 1.129 84 L HN 0.087 nan 8.230 nan 0.000 0.448 85 N N 4.292 122.873 118.700 -0.199 0.000 2.469 85 N HA 0.312 5.052 4.740 0.000 0.000 0.239 85 N C -0.674 174.905 175.510 0.114 0.000 1.053 85 N CA -0.024 53.013 53.050 -0.021 0.000 0.937 85 N CB 0.744 39.214 38.487 -0.029 0.000 1.163 85 N HN 0.415 nan 8.380 nan 0.000 0.509 86 I N 3.294 123.922 120.570 0.097 0.000 2.330 86 I HA 0.275 4.445 4.170 0.000 0.000 0.289 86 I C 0.255 176.430 176.117 0.097 0.000 1.001 86 I CA -0.529 60.860 61.300 0.147 0.000 1.193 86 I CB 1.048 39.147 38.000 0.165 0.000 1.345 86 I HN 0.126 nan 8.210 nan 0.000 0.461 87 L N 5.724 127.001 121.223 0.090 0.000 2.399 87 L HA 0.362 4.702 4.340 0.000 0.000 0.265 87 L C 0.964 177.886 176.870 0.087 0.000 1.089 87 L CA -0.639 54.242 54.840 0.067 0.000 0.802 87 L CB 0.860 42.946 42.059 0.045 0.000 1.180 87 L HN 0.572 nan 8.230 nan 0.000 0.454 88 Q N 0.684 120.525 119.800 0.068 0.000 2.378 88 Q HA 0.013 4.353 4.340 0.000 0.000 0.229 88 Q C 0.097 176.139 176.000 0.069 0.000 0.882 88 Q CA 0.425 56.272 55.803 0.072 0.000 0.936 88 Q CB 0.385 29.154 28.738 0.050 0.000 1.092 88 Q HN 0.750 nan 8.270 nan 0.000 0.535 89 D N 0.039 120.470 120.400 0.053 0.000 2.738 89 D HA 0.100 4.740 4.640 0.000 0.000 0.246 89 D C -0.028 176.294 176.300 0.036 0.000 1.270 89 D CA -0.419 53.606 54.000 0.041 0.000 0.833 89 D CB 0.051 40.868 40.800 0.027 0.000 1.040 89 D HN -0.245 nan 8.370 nan 0.000 0.487 90 V N 1.026 120.970 119.914 0.050 0.000 2.572 90 V HA 0.012 4.132 4.120 0.000 0.000 0.291 90 V C 0.938 177.045 176.094 0.022 0.000 1.039 90 V CA -0.532 61.789 62.300 0.034 0.000 1.055 90 V CB 1.086 32.940 31.823 0.052 0.000 0.969 90 V HN 0.210 nan 8.190 nan 0.000 0.482 91 K N 4.992 125.387 120.400 -0.008 0.000 2.379 91 K HA 0.390 4.710 4.320 0.000 0.000 0.284 91 K C -0.582 175.976 176.600 -0.071 0.000 1.044 91 K CA -0.119 56.150 56.287 -0.030 0.000 0.974 91 K CB 0.836 33.314 32.500 -0.036 0.000 0.962 91 K HN 0.648 nan 8.250 nan 0.000 0.474 92 V N 0.321 120.176 119.914 -0.099 0.000 3.160 92 V HA 0.599 4.719 4.120 0.000 0.000 0.310 92 V C -0.746 175.218 176.094 -0.218 0.000 1.181 92 V CA -0.802 61.356 62.300 -0.236 0.000 1.047 92 V CB 2.015 33.620 31.823 -0.363 0.000 1.068 92 V HN 0.677 nan 8.190 nan 0.000 0.441 93 T N 2.776 117.139 114.554 -0.318 0.000 2.824 93 T HA 0.734 5.084 4.350 0.000 0.000 0.282 93 T C -0.684 173.874 174.700 -0.236 0.000 0.993 93 T CA -0.127 61.845 62.100 -0.213 0.000 0.967 93 T CB 0.952 69.717 68.868 -0.172 0.000 0.960 93 T HN 0.663 nan 8.240 nan 0.000 0.441 94 I N 3.908 124.417 120.570 -0.101 0.000 2.436 94 I HA 0.408 4.578 4.170 0.000 0.000 0.289 94 I C -0.184 175.922 176.117 -0.019 0.000 1.010 94 I CA -0.724 60.562 61.300 -0.023 0.000 1.098 94 I CB 1.675 39.721 38.000 0.078 0.000 1.266 94 I HN 0.642 nan 8.210 nan 0.000 0.434 95 E N 4.901 125.088 120.200 -0.022 0.000 2.241 95 E HA 0.368 4.718 4.350 0.000 0.000 0.263 95 E C -1.361 175.241 176.600 0.002 0.000 0.882 95 E CA -0.922 55.472 56.400 -0.011 0.000 0.769 95 E CB 2.037 31.725 29.700 -0.020 0.000 1.185 95 E HN 0.338 nan 8.360 nan 0.000 0.415 96 N N 2.792 121.499 118.700 0.011 0.000 2.457 96 N HA 0.207 4.947 4.740 0.000 0.000 0.250 96 N C -1.038 174.477 175.510 0.009 0.000 0.982 96 N CA -0.018 53.041 53.050 0.015 0.000 0.941 96 N CB 1.463 39.963 38.487 0.021 0.000 1.120 96 N HN 0.720 nan 8.380 nan 0.000 0.505 97 T N -0.320 114.240 114.554 0.010 0.000 2.883 97 T HA 0.335 4.685 4.350 0.000 0.000 0.284 97 T C 1.050 175.729 174.700 -0.034 0.000 1.041 97 T CA -0.535 61.560 62.100 -0.009 0.000 1.007 97 T CB 1.146 70.012 68.868 -0.003 0.000 1.220 97 T HN 0.364 nan 8.240 nan 0.000 0.552 98 E N -0.103 120.064 120.200 -0.055 0.000 2.118 98 E HA -0.146 4.204 4.350 0.000 0.000 0.195 98 E C 2.215 178.741 176.600 -0.123 0.000 0.992 98 E CA 1.401 57.757 56.400 -0.073 0.000 0.804 98 E CB 0.024 29.681 29.700 -0.072 0.000 0.741 98 E HN 0.610 nan 8.360 nan 0.000 0.458 99 R N -2.003 118.370 120.500 -0.211 0.000 2.146 99 R HA 0.170 4.510 4.340 0.000 0.000 0.206 99 R C -0.160 175.821 176.300 -0.530 0.000 1.049 99 R CA 0.465 56.297 56.100 -0.447 0.000 1.029 99 R CB 0.448 30.349 30.300 -0.666 0.000 0.949 99 R HN 0.109 nan 8.270 nan 0.000 0.471 100 Y N -1.838 118.422 120.300 -0.066 0.000 2.644 100 Y HA 0.618 5.168 4.550 0.000 0.000 0.338 100 Y C -0.954 174.885 175.900 -0.103 0.000 1.119 100 Y CA -1.590 56.447 58.100 -0.105 0.000 1.060 100 Y CB 2.049 40.436 38.460 -0.121 0.000 1.294 100 Y HN -0.125 nan 8.280 nan 0.000 0.472 101 A N 1.340 124.194 122.820 0.057 0.000 2.343 101 A HA 0.653 4.973 4.320 0.000 0.000 0.308 101 A C -1.370 176.129 177.584 -0.141 0.000 1.092 101 A CA -0.562 51.455 52.037 -0.034 0.000 0.751 101 A CB 1.410 20.377 19.000 -0.056 0.000 1.203 101 A HN 0.722 nan 8.150 nan 0.000 0.452 102 E N 2.098 122.226 120.200 -0.121 0.000 2.246 102 E HA 0.533 4.883 4.350 0.000 0.000 0.266 102 E C -1.933 174.607 176.600 -0.099 0.000 0.880 102 E CA -0.473 55.819 56.400 -0.181 0.000 0.762 102 E CB 1.239 30.828 29.700 -0.185 0.000 1.180 102 E HN 0.551 nan 8.360 nan 0.000 0.416 103 F N 4.354 124.133 119.950 -0.286 0.000 2.427 103 F HA 0.476 5.003 4.527 0.000 0.000 0.346 103 F C -0.783 174.946 175.800 -0.119 0.000 1.120 103 F CA -0.522 57.377 58.000 -0.169 0.000 1.033 103 F CB 0.945 39.847 39.000 -0.163 0.000 1.126 103 F HN 0.291 nan 8.300 nan 0.000 0.462 104 K N 4.230 124.236 120.400 -0.656 0.000 2.397 104 K HA 0.505 4.825 4.320 0.000 0.000 0.253 104 K C -1.460 174.824 176.600 -0.528 0.000 0.932 104 K CA -0.669 55.358 56.287 -0.432 0.000 0.795 104 K CB 1.734 34.081 32.500 -0.255 0.000 1.159 104 K HN 0.583 nan 8.250 nan 0.000 0.424 105 S N 3.092 118.622 115.700 -0.283 0.000 2.707 105 S HA 0.607 5.077 4.470 0.000 0.000 0.312 105 S C 0.269 174.813 174.600 -0.093 0.000 1.116 105 S CA 0.462 58.557 58.200 -0.175 0.000 1.078 105 S CB 0.701 63.867 63.200 -0.056 0.000 0.997 105 S HN 1.043 nan 8.310 nan 0.000 0.477 106 G N 5.451 114.197 108.800 -0.091 0.000 2.591 106 G HA2 -0.351 3.609 3.960 0.000 0.000 0.298 106 G HA3 -0.351 3.609 3.960 0.000 0.000 0.298 106 G C 0.561 175.423 174.900 -0.063 0.000 1.195 106 G CA 0.710 45.771 45.100 -0.065 0.000 0.989 106 G HN 0.760 nan 8.290 nan 0.000 0.551 107 N N -0.051 118.622 118.700 -0.044 0.000 2.412 107 N HA 0.271 5.011 4.740 0.000 0.000 0.184 107 N C 0.464 175.956 175.510 -0.031 0.000 1.101 107 N CA -0.102 52.925 53.050 -0.038 0.000 0.881 107 N CB 0.353 38.825 38.487 -0.025 0.000 0.969 107 N HN 0.360 nan 8.380 nan 0.000 0.459 108 L N 1.399 122.609 121.223 -0.022 0.000 2.275 108 L HA 0.335 4.675 4.340 0.000 0.000 0.288 108 L C -0.073 176.806 176.870 0.014 0.000 1.046 108 L CA -0.384 54.463 54.840 0.011 0.000 0.805 108 L CB 0.970 43.049 42.059 0.034 0.000 1.193 108 L HN -0.072 nan 8.230 nan 0.000 0.426 109 S N 3.966 119.678 115.700 0.020 0.000 2.599 109 S HA 0.962 5.432 4.470 0.000 0.000 0.294 109 S C -0.676 173.944 174.600 0.034 0.000 1.094 109 S CA -0.409 57.792 58.200 0.001 0.000 0.931 109 S CB 1.763 64.902 63.200 -0.103 0.000 1.093 109 S HN 1.009 nan 8.310 nan 0.000 0.488 110 A N 1.731 124.534 122.820 -0.029 0.000 2.303 110 A HA 0.791 5.111 4.320 0.000 0.000 0.320 110 A C -0.181 177.115 177.584 -0.480 0.000 1.192 110 A CA -0.827 51.013 52.037 -0.328 0.000 0.821 110 A CB 0.821 19.677 19.000 -0.241 0.000 1.188 110 A HN 0.880 nan 8.150 nan 0.000 0.492 111 R N 2.487 122.658 120.500 -0.548 0.000 2.534 111 R HA 0.633 4.973 4.340 0.000 0.000 0.301 111 R C -1.833 174.152 176.300 -0.524 0.000 0.961 111 R CA -0.355 55.436 56.100 -0.515 0.000 0.871 111 R CB 1.731 31.706 30.300 -0.542 0.000 1.170 111 R HN 0.484 nan 8.270 nan 0.000 0.446 112 V N 2.948 122.597 119.914 -0.442 0.000 2.459 112 V HA 0.323 4.443 4.120 0.000 0.000 0.295 112 V C -0.190 175.780 176.094 -0.207 0.000 1.029 112 V CA -0.722 61.301 62.300 -0.462 0.000 0.874 112 V CB 1.895 33.425 31.823 -0.487 0.000 0.985 112 V HN 0.797 nan 8.190 nan 0.000 0.438 113 S N 4.654 120.220 115.700 -0.223 0.000 2.489 113 S HA 0.388 4.858 4.470 0.000 0.000 0.277 113 S C 0.044 174.626 174.600 -0.031 0.000 1.230 113 S CA -0.661 57.558 58.200 0.032 0.000 1.053 113 S CB 0.544 63.781 63.200 0.061 0.000 0.955 113 S HN 0.626 nan 8.310 nan 0.000 0.488 114 K N 1.584 121.981 120.400 -0.005 0.000 2.102 114 K HA 0.651 4.971 4.320 0.000 0.000 0.244 114 K C 0.850 177.473 176.600 0.038 0.000 1.021 114 K CA -0.166 56.138 56.287 0.029 0.000 0.913 114 K CB 0.551 33.047 32.500 -0.007 0.000 1.062 114 K HN 0.864 nan 8.250 nan 0.000 0.485 115 G N 0.717 109.549 108.800 0.054 0.000 2.660 115 G HA2 -0.265 3.695 3.960 0.000 0.000 0.247 115 G HA3 -0.265 3.695 3.960 0.000 0.000 0.247 115 G C 0.464 175.360 174.900 -0.007 0.000 1.328 115 G CA 0.131 45.238 45.100 0.011 0.000 0.884 115 G HN 0.737 nan 8.290 nan 0.000 0.531 116 E N -0.978 119.120 120.200 -0.171 0.000 2.204 116 E HA 0.016 4.366 4.350 0.000 0.000 0.195 116 E C 0.627 177.059 176.600 -0.281 0.000 0.990 116 E CA 0.826 57.042 56.400 -0.306 0.000 0.821 116 E CB -0.100 29.256 29.700 -0.572 0.000 0.750 116 E HN 0.322 nan 8.360 nan 0.000 0.477 117 F N 1.254 121.254 119.950 0.083 0.000 2.541 117 F HA 0.149 4.676 4.527 0.000 0.000 0.351 117 F C 0.141 176.020 175.800 0.132 0.000 1.209 117 F CA -0.797 57.258 58.000 0.092 0.000 1.277 117 F CB -0.190 38.838 39.000 0.047 0.000 1.632 117 F HN 0.083 nan 8.300 nan 0.000 0.619 118 W N 2.911 124.291 121.300 0.133 0.000 2.181 118 W HA 0.389 5.049 4.660 0.000 0.000 0.335 118 W C -0.612 175.955 176.519 0.080 0.000 1.310 118 W CA 0.273 57.669 57.345 0.086 0.000 1.226 118 W CB 1.307 30.794 29.460 0.045 0.000 1.155 118 W HN 0.341 nan 8.180 nan 0.000 0.565 119 S N 6.490 121.859 115.700 -0.552 0.000 2.563 119 S HA 0.386 4.856 4.470 0.000 0.000 0.279 119 S C -1.699 172.493 174.600 -0.681 0.000 1.155 119 S CA -0.807 57.150 58.200 -0.405 0.000 0.928 119 S CB 0.758 63.865 63.200 -0.155 0.000 1.107 119 S HN 0.522 nan 8.310 nan 0.000 0.462 120 L N 4.380 125.330 121.223 -0.454 0.000 2.318 120 L HA 0.602 4.942 4.340 0.000 0.000 0.277 120 L C -1.468 175.158 176.870 -0.406 0.000 1.008 120 L CA -0.380 54.197 54.840 -0.438 0.000 0.846 120 L CB 0.902 42.834 42.059 -0.213 0.000 1.220 120 L HN 0.647 nan 8.230 nan 0.000 0.423 121 D N 4.754 124.845 120.400 -0.515 0.000 2.362 121 D HA 0.380 5.020 4.640 0.000 0.000 0.247 121 D C -0.936 174.987 176.300 -0.628 0.000 1.050 121 D CA 0.019 53.764 54.000 -0.426 0.000 0.839 121 D CB 2.059 42.680 40.800 -0.298 0.000 1.283 121 D HN 0.172 nan 8.370 nan 0.000 0.477 122 F N 1.488 121.376 119.950 -0.104 0.000 2.404 122 F HA 0.327 4.854 4.527 0.000 0.000 0.354 122 F C -0.145 175.576 175.800 -0.131 0.000 1.122 122 F CA -0.793 57.141 58.000 -0.111 0.000 1.080 122 F CB 0.888 39.820 39.000 -0.114 0.000 1.131 122 F HN -0.040 nan 8.300 nan 0.000 0.471 123 L N 3.557 124.797 121.223 0.028 0.000 2.346 123 L HA 0.540 4.880 4.340 0.000 0.000 0.274 123 L C -0.268 176.596 176.870 -0.010 0.000 1.007 123 L CA -1.148 53.673 54.840 -0.031 0.000 0.818 123 L CB 1.839 43.837 42.059 -0.100 0.000 1.284 123 L HN 0.546 nan 8.230 nan 0.000 0.424 124 R N 2.084 122.576 120.500 -0.013 0.000 2.310 124 R HA 0.378 4.718 4.340 0.000 0.000 0.324 124 R C -0.124 176.163 176.300 -0.021 0.000 0.955 124 R CA -0.312 55.783 56.100 -0.008 0.000 0.830 124 R CB 0.171 30.477 30.300 0.010 0.000 1.154 124 R HN 0.745 nan 8.270 nan 0.000 0.458 125 N N 3.293 121.975 118.700 -0.030 0.000 2.708 125 N HA -0.263 4.477 4.740 0.000 0.000 0.251 125 N C 0.524 176.009 175.510 -0.042 0.000 1.017 125 N CA 0.822 53.850 53.050 -0.036 0.000 0.742 125 N CB -0.642 37.829 38.487 -0.026 0.000 0.943 125 N HN 1.070 nan 8.380 nan 0.000 0.539 126 G N -1.571 107.195 108.800 -0.058 0.000 2.179 126 G HA2 -0.327 3.633 3.960 0.000 0.000 0.260 126 G HA3 -0.327 3.633 3.960 0.000 0.000 0.260 126 G C -0.302 174.560 174.900 -0.063 0.000 0.977 126 G CA 0.480 45.537 45.100 -0.072 0.000 0.641 126 G HN 0.458 nan 8.290 nan 0.000 0.533 127 E N 0.298 120.471 120.200 -0.043 0.000 2.175 127 E HA 0.415 4.765 4.350 0.000 0.000 0.278 127 E C 0.310 176.892 176.600 -0.030 0.000 0.969 127 E CA -0.927 55.454 56.400 -0.031 0.000 0.796 127 E CB 1.467 31.160 29.700 -0.013 0.000 1.104 127 E HN 0.443 nan 8.360 nan 0.000 0.395 128 R N 3.243 123.724 120.500 -0.032 0.000 2.296 128 R HA 0.126 4.466 4.340 0.000 0.000 0.323 128 R C 1.112 177.411 176.300 -0.001 0.000 1.067 128 R CA 0.044 56.127 56.100 -0.029 0.000 0.946 128 R CB 0.015 30.292 30.300 -0.039 0.000 0.991 128 R HN 0.669 nan 8.270 nan 0.000 0.448 129 I N -0.108 120.457 120.570 -0.009 0.000 3.265 129 I HA 0.268 4.438 4.170 0.000 0.000 0.282 129 I C 0.668 176.743 176.117 -0.070 0.000 1.207 129 I CA -0.133 61.157 61.300 -0.016 0.000 1.449 129 I CB 0.633 38.612 38.000 -0.035 0.000 1.121 129 I HN 0.512 nan 8.210 nan 0.000 0.442 130 T N -0.963 113.548 114.554 -0.071 0.000 2.658 130 T HA 0.696 5.046 4.350 0.000 0.000 0.306 130 T C -1.232 173.569 174.700 0.169 0.000 1.544 130 T CA -0.014 62.091 62.100 0.009 0.000 0.991 130 T CB 1.258 70.050 68.868 -0.127 0.000 1.774 130 T HN 0.638 nan 8.240 nan 0.000 0.479 131 G N 0.398 109.344 108.800 0.242 0.000 2.325 131 G HA2 0.469 4.429 3.960 0.000 0.000 0.297 131 G HA3 0.469 4.429 3.960 0.000 0.000 0.297 131 G C -1.518 173.490 174.900 0.180 0.000 1.448 131 G CA 0.265 45.495 45.100 0.216 0.000 0.838 131 G HN 0.850 nan 8.290 nan 0.000 0.579 132 S N -0.478 115.304 115.700 0.136 0.000 2.498 132 S HA 0.585 5.055 4.470 0.000 0.000 0.317 132 S C -0.046 174.615 174.600 0.102 0.000 1.090 132 S CA -0.459 57.813 58.200 0.120 0.000 1.089 132 S CB 1.030 64.332 63.200 0.169 0.000 0.997 132 S HN 0.553 nan 8.310 nan 0.000 0.470 133 Q N 1.985 121.836 119.800 0.084 0.000 2.260 133 Q HA 0.353 4.694 4.340 0.000 0.000 0.242 133 Q C -0.090 175.997 176.000 0.145 0.000 0.932 133 Q CA -0.633 55.231 55.803 0.102 0.000 0.891 133 Q CB 1.370 30.138 28.738 0.050 0.000 1.222 133 Q HN 0.584 nan 8.270 nan 0.000 0.453 134 V N 3.101 123.150 119.914 0.226 0.000 2.681 134 V HA -0.183 3.937 4.120 0.000 0.000 0.306 134 V C 0.223 176.261 176.094 -0.093 0.000 1.077 134 V CA 1.308 63.697 62.300 0.148 0.000 1.224 134 V CB -0.481 31.453 31.823 0.185 0.000 0.879 134 V HN 0.866 nan 8.190 nan 0.000 0.494 135 K N 3.283 123.507 120.400 -0.294 0.000 3.467 135 K HA -0.158 4.162 4.320 0.000 0.000 0.309 135 K C 0.554 176.959 176.600 -0.326 0.000 1.350 135 K CA 1.133 57.021 56.287 -0.665 0.000 0.934 135 K CB -1.422 30.689 32.500 -0.648 0.000 1.312 135 K HN 0.837 nan 8.250 nan 0.000 0.461 136 N N 0.935 119.556 118.700 -0.132 0.000 2.203 136 N HA 0.038 4.778 4.740 0.000 0.000 0.207 136 N C -0.213 175.113 175.510 -0.307 0.000 1.130 136 N CA 0.230 53.266 53.050 -0.024 0.000 0.861 136 N CB 0.257 38.737 38.487 -0.013 0.000 1.005 136 N HN 0.558 nan 8.380 nan 0.000 0.507 137 N N -1.343 117.054 118.700 -0.505 0.000 2.697 137 N HA 0.665 5.406 4.740 0.000 0.000 0.272 137 N C -0.014 174.981 175.510 -0.858 0.000 1.381 137 N CA -0.696 51.735 53.050 -1.032 0.000 0.797 137 N CB 2.423 40.599 38.487 -0.518 0.000 1.523 137 N HN -0.092 nan 8.380 nan 0.000 0.518 138 G N -0.698 107.613 108.800 -0.815 0.000 2.236 138 G HA2 0.004 3.965 3.960 0.000 0.000 0.231 138 G HA3 0.004 3.965 3.960 0.000 0.000 0.231 138 G C -2.405 172.581 174.900 0.144 0.000 1.334 138 G CA -0.754 44.128 45.100 -0.363 0.000 1.137 138 G HN 0.668 nan 8.290 nan 0.000 0.482 139 Y N 0.003 120.389 120.300 0.144 0.000 2.409 139 Y HA 0.680 5.230 4.550 0.000 0.000 0.343 139 Y C -0.319 175.609 175.900 0.046 0.000 0.973 139 Y CA -0.960 57.196 58.100 0.093 0.000 1.064 139 Y CB 2.326 40.715 38.460 -0.118 0.000 1.207 139 Y HN 0.567 nan 8.280 nan 0.000 0.452 140 V N 6.399 126.161 119.914 -0.252 0.000 2.407 140 V HA 0.311 4.431 4.120 0.000 0.000 0.291 140 V C -0.731 175.096 176.094 -0.444 0.000 1.018 140 V CA -0.836 61.320 62.300 -0.240 0.000 0.842 140 V CB 1.430 33.178 31.823 -0.124 0.000 0.996 140 V HN 0.746 nan 8.190 nan 0.000 0.426 141 Q N 3.306 122.885 119.800 -0.369 0.000 2.398 141 Q HA 0.270 4.610 4.340 0.000 0.000 0.251 141 Q C -0.844 175.079 176.000 -0.129 0.000 0.999 141 Q CA -0.520 55.102 55.803 -0.301 0.000 0.874 141 Q CB 1.059 29.679 28.738 -0.196 0.000 1.215 141 Q HN 0.762 nan 8.270 nan 0.000 0.470 142 D N 3.122 123.481 120.400 -0.069 0.000 2.411 142 D HA 0.099 4.739 4.640 0.000 0.000 0.225 142 D C 0.115 176.403 176.300 -0.020 0.000 1.156 142 D CA -0.022 53.975 54.000 -0.005 0.000 0.874 142 D CB 1.421 42.293 40.800 0.119 0.000 1.034 142 D HN 0.516 nan 8.370 nan 0.000 0.502 143 T N 2.994 117.534 114.554 -0.024 0.000 3.113 143 T HA -0.008 4.342 4.350 0.000 0.000 0.256 143 T C 1.462 176.156 174.700 -0.010 0.000 1.131 143 T CA 0.257 62.347 62.100 -0.016 0.000 1.074 143 T CB 0.124 68.982 68.868 -0.016 0.000 0.944 143 T HN 0.379 nan 8.240 nan 0.000 0.516 144 N N 2.651 121.346 118.700 -0.009 0.000 2.207 144 N HA -0.041 4.699 4.740 0.000 0.000 0.182 144 N C 1.421 176.930 175.510 -0.002 0.000 1.020 144 N CA 1.041 54.087 53.050 -0.006 0.000 0.858 144 N CB -0.138 38.343 38.487 -0.010 0.000 0.991 144 N HN 0.551 nan 8.380 nan 0.000 0.427 145 N N 0.231 118.932 118.700 0.003 0.000 2.159 145 N HA -0.027 4.713 4.740 0.000 0.000 0.217 145 N C -0.520 174.984 175.510 -0.009 0.000 1.223 145 N CA 0.096 53.148 53.050 0.003 0.000 0.896 145 N CB 0.165 38.661 38.487 0.015 0.000 1.064 145 N HN -0.183 nan 8.380 nan 0.000 0.518 146 Q N -0.482 119.309 119.800 -0.016 0.000 2.461 146 Q HA -0.254 4.086 4.340 0.000 0.000 0.273 146 Q C -0.887 175.073 176.000 -0.068 0.000 1.163 146 Q CA 0.998 56.783 55.803 -0.029 0.000 0.929 146 Q CB -2.745 25.986 28.738 -0.011 0.000 1.334 146 Q HN 0.651 nan 8.270 nan 0.000 0.499 147 R N 0.855 121.292 120.500 -0.105 0.000 2.540 147 R HA 0.555 4.895 4.340 0.000 0.000 0.287 147 R C 0.116 176.159 176.300 -0.429 0.000 0.980 147 R CA -0.729 55.213 56.100 -0.264 0.000 0.966 147 R CB 0.920 31.051 30.300 -0.282 0.000 1.106 147 R HN 0.103 nan 8.270 nan 0.000 0.480 148 N N 1.967 120.325 118.700 -0.569 0.000 2.314 148 N HA 0.346 5.086 4.740 0.000 0.000 0.304 148 N C -1.254 173.795 175.510 -0.769 0.000 1.073 148 N CA -0.414 52.272 53.050 -0.607 0.000 0.822 148 N CB 1.798 40.044 38.487 -0.402 0.000 1.280 148 N HN 0.407 nan 8.380 nan 0.000 0.489 149 Y N 0.097 120.204 120.300 -0.322 0.000 2.570 149 Y HA 0.519 5.069 4.550 0.000 0.000 0.345 149 Y C 0.273 176.142 175.900 -0.051 0.000 1.014 149 Y CA -1.094 56.912 58.100 -0.157 0.000 1.063 149 Y CB 1.699 40.073 38.460 -0.143 0.000 1.272 149 Y HN 0.130 nan 8.280 nan 0.000 0.477 150 M N 3.078 122.800 119.600 0.204 0.000 2.508 150 M HA 0.492 4.972 4.480 0.000 0.000 0.327 150 M C -1.053 175.381 176.300 0.224 0.000 1.160 150 M CA -0.699 54.740 55.300 0.232 0.000 0.980 150 M CB 1.602 34.302 32.600 0.166 0.000 1.693 150 M HN 0.751 nan 8.290 nan 0.000 0.452 151 F N 0.241 120.176 119.950 -0.025 0.000 2.645 151 F HA 0.850 5.377 4.527 0.000 0.000 0.310 151 F C -1.310 174.358 175.800 -0.220 0.000 1.102 151 F CA -0.892 57.022 58.000 -0.144 0.000 0.952 151 F CB 1.632 40.539 39.000 -0.154 0.000 1.326 151 F HN 0.549 nan 8.300 nan 0.000 0.456 152 E N 1.152 120.992 120.200 -0.599 0.000 2.390 152 E HA 0.597 4.947 4.350 0.000 0.000 0.277 152 E C -1.817 174.368 176.600 -0.693 0.000 0.939 152 E CA -0.763 55.160 56.400 -0.795 0.000 0.769 152 E CB 2.091 31.178 29.700 -1.023 0.000 1.251 152 E HN 0.746 nan 8.360 nan 0.000 0.450 153 R N 3.105 123.363 120.500 -0.402 0.000 2.500 153 R HA 0.469 4.809 4.340 0.000 0.000 0.299 153 R C -0.743 175.505 176.300 -0.088 0.000 1.038 153 R CA -0.634 55.341 56.100 -0.208 0.000 0.903 153 R CB 1.084 31.357 30.300 -0.046 0.000 1.177 153 R HN 0.391 nan 8.270 nan 0.000 0.455 154 L N 3.129 124.356 121.223 0.006 0.000 2.275 154 L HA 0.286 4.626 4.340 0.000 0.000 0.288 154 L C -0.092 176.862 176.870 0.140 0.000 1.046 154 L CA -0.910 54.013 54.840 0.138 0.000 0.805 154 L CB 1.082 43.299 42.059 0.264 0.000 1.193 154 L HN 0.408 nan 8.230 nan 0.000 0.426 155 D N 3.641 124.114 120.400 0.120 0.000 2.506 155 D HA 0.202 4.842 4.640 0.000 0.000 0.234 155 D C -0.237 176.142 176.300 0.132 0.000 1.143 155 D CA 0.596 54.655 54.000 0.098 0.000 0.871 155 D CB 0.848 41.695 40.800 0.078 0.000 1.190 155 D HN 0.235 nan 8.370 nan 0.000 0.459 156 L N 1.342 122.618 121.223 0.089 0.000 2.346 156 L HA 0.517 4.857 4.340 0.000 0.000 0.276 156 L C 1.143 178.051 176.870 0.063 0.000 1.006 156 L CA -0.840 54.052 54.840 0.087 0.000 0.817 156 L CB 1.998 44.076 42.059 0.031 0.000 1.272 156 L HN 0.337 nan 8.230 nan 0.000 0.421 157 G N 1.591 110.436 108.800 0.074 0.000 2.563 157 G HA2 0.423 4.383 3.960 0.000 0.000 0.283 157 G HA3 0.423 4.383 3.960 0.000 0.000 0.283 157 G C -0.256 174.663 174.900 0.032 0.000 1.309 157 G CA -0.578 44.553 45.100 0.051 0.000 1.022 157 G HN 0.289 nan 8.290 nan 0.000 0.501 158 V N 0.833 120.763 119.914 0.026 0.000 2.540 158 V HA 0.373 4.493 4.120 0.000 0.000 0.297 158 V C 1.647 177.755 176.094 0.024 0.000 1.024 158 V CA 1.689 64.001 62.300 0.020 0.000 1.105 158 V CB 0.298 32.131 31.823 0.017 0.000 0.938 158 V HN 1.770 nan 8.190 nan 0.000 0.482 159 G N 3.595 112.409 108.800 0.024 0.000 2.189 159 G HA2 -0.283 3.677 3.960 0.000 0.000 0.267 159 G HA3 -0.283 3.677 3.960 0.000 0.000 0.267 159 G C 0.218 175.124 174.900 0.010 0.000 0.975 159 G CA 0.447 45.565 45.100 0.030 0.000 0.644 159 G HN 0.792 nan 8.290 nan 0.000 0.537 160 E N 1.433 121.635 120.200 0.003 0.000 2.289 160 E HA 0.509 4.859 4.350 0.000 0.000 0.278 160 E C 0.630 177.186 176.600 -0.072 0.000 1.032 160 E CA 0.341 56.735 56.400 -0.011 0.000 0.854 160 E CB 0.426 30.141 29.700 0.026 0.000 1.046 160 E HN 0.400 nan 8.360 nan 0.000 0.409 161 T N 0.171 114.653 114.554 -0.120 0.000 2.908 161 T HA 0.596 4.946 4.350 0.000 0.000 0.290 161 T C -0.457 174.005 174.700 -0.397 0.000 1.034 161 T CA -0.897 61.020 62.100 -0.306 0.000 1.010 161 T CB 1.626 70.212 68.868 -0.471 0.000 1.068 161 T HN 0.162 nan 8.240 nan 0.000 0.481 162 V N 1.978 121.513 119.914 -0.631 0.000 2.680 162 V HA 0.651 4.772 4.120 0.000 0.000 0.309 162 V C -1.400 174.230 176.094 -0.773 0.000 1.052 162 V CA -0.845 61.152 62.300 -0.506 0.000 0.908 162 V CB 1.262 32.831 31.823 -0.423 0.000 1.001 162 V HN 0.960 nan 8.190 nan 0.000 0.431 163 Y N 1.382 121.560 120.300 -0.203 0.000 2.562 163 Y HA 0.848 5.398 4.550 0.000 0.000 0.345 163 Y C 0.721 176.502 175.900 -0.199 0.000 1.045 163 Y CA 0.251 58.235 58.100 -0.195 0.000 1.028 163 Y CB 2.361 40.713 38.460 -0.181 0.000 1.297 163 Y HN 0.996 nan 8.280 nan 0.000 0.463 164 G N 0.302 109.084 108.800 -0.029 0.000 2.501 164 G HA2 -0.155 3.805 3.960 0.000 0.000 0.213 164 G HA3 -0.155 3.805 3.960 0.000 0.000 0.213 164 G C -0.248 174.567 174.900 -0.142 0.000 1.158 164 G CA -0.336 44.720 45.100 -0.074 0.000 1.079 164 G HN 1.179 nan 8.290 nan 0.000 0.586 165 L N 0.045 121.181 121.223 -0.145 0.000 4.040 165 L HA 0.039 4.379 4.340 0.000 0.000 0.410 165 L C 1.447 178.250 176.870 -0.112 0.000 1.187 165 L CA 1.550 56.277 54.840 -0.188 0.000 0.956 165 L CB -1.776 40.075 42.059 -0.347 0.000 2.022 165 L HN 2.874 nan 8.230 nan 0.000 0.897 166 G N -0.191 108.556 108.800 -0.087 0.000 2.526 166 G HA2 -0.184 3.776 3.960 0.000 0.000 0.250 166 G HA3 -0.184 3.776 3.960 0.000 0.000 0.250 166 G C -0.440 174.320 174.900 -0.234 0.000 1.289 166 G CA 0.040 45.068 45.100 -0.119 0.000 0.947 166 G HN 0.362 nan 8.290 nan 0.000 0.517 167 E N 1.042 121.061 120.200 -0.303 0.000 1.944 167 E HA 0.379 4.729 4.350 0.000 0.000 0.272 167 E C 0.582 176.810 176.600 -0.619 0.000 1.195 167 E CA -0.078 56.057 56.400 -0.441 0.000 0.926 167 E CB -0.048 29.446 29.700 -0.343 0.000 1.051 167 E HN 0.471 nan 8.360 nan 0.000 0.404 168 R N 3.108 123.206 120.500 -0.670 0.000 2.854 168 R HA 0.379 4.719 4.340 0.000 0.000 0.271 168 R C -0.251 175.560 176.300 -0.815 0.000 0.996 168 R CA -0.730 54.974 56.100 -0.661 0.000 0.961 168 R CB 0.800 30.931 30.300 -0.282 0.000 1.182 168 R HN 0.434 nan 8.270 nan 0.000 0.479 169 F N -0.472 119.455 119.950 -0.038 0.000 2.706 169 F HA 0.083 4.610 4.527 0.000 0.000 0.313 169 F C 1.216 177.007 175.800 -0.015 0.000 1.096 169 F CA -0.388 57.601 58.000 -0.018 0.000 1.219 169 F CB 0.406 39.413 39.000 0.011 0.000 1.051 169 F HN 0.488 nan 8.300 nan 0.000 0.568 170 T N -0.752 113.840 114.554 0.064 0.000 2.729 170 T HA 0.591 4.941 4.350 0.000 0.000 0.298 170 T C 0.776 175.473 174.700 -0.006 0.000 1.013 170 T CA -0.510 61.609 62.100 0.032 0.000 0.957 170 T CB 0.599 69.466 68.868 -0.001 0.000 1.130 170 T HN 0.175 nan 8.240 nan 0.000 0.526 171 A N 0.300 123.112 122.820 -0.014 0.000 2.561 171 A HA 0.247 4.567 4.320 0.000 0.000 0.234 171 A C 1.376 178.930 177.584 -0.050 0.000 1.055 171 A CA -0.390 51.635 52.037 -0.021 0.000 0.756 171 A CB -0.585 18.406 19.000 -0.015 0.000 0.986 171 A HN 0.969 nan 8.150 nan 0.000 0.505 172 L N 3.878 125.080 121.223 -0.035 0.000 2.012 172 L HA -0.062 4.278 4.340 0.000 0.000 0.210 172 L C 0.998 177.794 176.870 -0.123 0.000 1.073 172 L CA 1.762 56.573 54.840 -0.048 0.000 0.748 172 L CB -0.286 41.783 42.059 0.016 0.000 0.891 172 L HN 0.475 nan 8.230 nan 0.000 0.431 173 V N 0.750 120.565 119.914 -0.164 0.000 2.488 173 V HA 0.060 4.180 4.120 0.000 0.000 0.277 173 V C 1.345 177.277 176.094 -0.271 0.000 1.046 173 V CA -0.017 62.042 62.300 -0.401 0.000 0.986 173 V CB 1.058 32.640 31.823 -0.401 0.000 0.989 173 V HN 0.308 nan 8.190 nan 0.000 0.475 174 R N 2.858 123.148 120.500 -0.350 0.000 2.275 174 R HA 0.090 4.430 4.340 0.000 0.000 0.199 174 R C 0.464 176.645 176.300 -0.198 0.000 0.989 174 R CA 0.062 56.011 56.100 -0.252 0.000 1.016 174 R CB -0.225 29.894 30.300 -0.301 0.000 0.918 174 R HN 0.754 nan 8.270 nan 0.000 0.473 175 N N 0.204 118.782 118.700 -0.204 0.000 2.359 175 N HA 0.116 4.856 4.740 0.000 0.000 0.261 175 N C 0.812 176.271 175.510 -0.086 0.000 1.267 175 N CA 1.473 54.441 53.050 -0.137 0.000 0.864 175 N CB 0.693 39.114 38.487 -0.109 0.000 1.063 175 N HN 0.306 nan 8.380 nan 0.000 0.474 176 G N 0.879 109.634 108.800 -0.075 0.000 2.176 176 G HA2 -0.254 3.706 3.960 0.000 0.000 0.232 176 G HA3 -0.254 3.706 3.960 0.000 0.000 0.232 176 G C -0.136 174.735 174.900 -0.049 0.000 0.986 176 G CA -0.341 44.726 45.100 -0.054 0.000 0.643 176 G HN 0.570 nan 8.290 nan 0.000 0.522 177 Q N 0.813 120.578 119.800 -0.059 0.000 2.245 177 Q HA 0.581 4.921 4.340 0.000 0.000 0.256 177 Q C 0.277 176.263 176.000 -0.024 0.000 0.942 177 Q CA 0.079 55.856 55.803 -0.043 0.000 0.896 177 Q CB 1.776 30.480 28.738 -0.058 0.000 1.272 177 Q HN 0.374 nan 8.270 nan 0.000 0.442 178 T N -0.929 113.623 114.554 -0.003 0.000 2.845 178 T HA 0.540 4.890 4.350 0.000 0.000 0.288 178 T C -0.615 174.114 174.700 0.048 0.000 0.980 178 T CA -0.682 61.434 62.100 0.027 0.000 1.071 178 T CB 1.131 70.009 68.868 0.016 0.000 0.941 178 T HN 0.399 nan 8.240 nan 0.000 0.487 179 V N 3.008 122.987 119.914 0.107 0.000 2.577 179 V HA 0.639 4.760 4.120 0.000 0.000 0.303 179 V C -1.159 175.072 176.094 0.229 0.000 1.042 179 V CA -0.701 61.672 62.300 0.121 0.000 0.872 179 V CB 1.960 33.796 31.823 0.022 0.000 0.998 179 V HN 0.982 nan 8.190 nan 0.000 0.423 180 E N 3.980 124.294 120.200 0.191 0.000 2.109 180 E HA 0.306 4.656 4.350 0.000 0.000 0.278 180 E C -0.019 176.764 176.600 0.304 0.000 0.954 180 E CA -0.296 56.242 56.400 0.229 0.000 0.779 180 E CB 1.692 31.476 29.700 0.141 0.000 1.093 180 E HN 0.924 nan 8.360 nan 0.000 0.401 181 T N 1.137 115.923 114.554 0.387 0.000 3.185 181 T HA 0.252 4.603 4.350 0.000 0.000 0.287 181 T C -0.186 174.832 174.700 0.530 0.000 1.051 181 T CA -0.708 61.634 62.100 0.404 0.000 1.051 181 T CB -0.159 68.967 68.868 0.430 0.000 1.034 181 T HN 0.426 nan 8.240 nan 0.000 0.685 182 W N 4.060 125.491 121.300 0.219 0.000 3.216 182 W HA 0.281 4.941 4.660 0.000 0.000 0.335 182 W C -1.454 175.248 176.519 0.306 0.000 1.077 182 W CA -0.938 56.555 57.345 0.246 0.000 1.252 182 W CB 1.391 30.923 29.460 0.121 0.000 1.312 182 W HN 0.378 nan 8.180 nan 0.000 0.446 183 N N 5.098 123.907 118.700 0.182 0.000 2.492 183 N HA 0.263 5.003 4.740 0.000 0.000 0.262 183 N C -0.232 175.414 175.510 0.226 0.000 1.202 183 N CA 0.486 53.640 53.050 0.174 0.000 0.926 183 N CB 0.801 39.327 38.487 0.065 0.000 1.078 183 N HN 0.378 nan 8.380 nan 0.000 0.454 184 R N 0.157 120.790 120.500 0.221 0.000 2.799 184 R HA 0.275 4.615 4.340 0.000 0.000 0.270 184 R C -1.286 175.126 176.300 0.187 0.000 1.010 184 R CA -0.835 55.408 56.100 0.238 0.000 0.916 184 R CB 1.379 31.820 30.300 0.235 0.000 1.228 184 R HN 0.376 nan 8.270 nan 0.000 0.469 185 D N 0.399 120.939 120.400 0.234 0.000 2.485 185 D HA 0.276 4.916 4.640 0.000 0.000 0.229 185 D C 0.041 176.416 176.300 0.125 0.000 1.101 185 D CA -0.120 54.022 54.000 0.236 0.000 0.906 185 D CB 0.898 41.899 40.800 0.334 0.000 1.019 185 D HN 0.730 nan 8.370 nan 0.000 0.516 186 G N 1.760 110.515 108.800 -0.075 0.000 3.695 186 G HA2 0.501 4.461 3.960 0.000 0.000 0.277 186 G HA3 0.501 4.461 3.960 0.000 0.000 0.277 186 G C 0.813 175.660 174.900 -0.089 0.000 1.001 186 G CA 0.151 45.232 45.100 -0.033 0.000 0.837 186 G HN 0.837 nan 8.290 nan 0.000 0.492 187 G N 0.370 109.097 108.800 -0.123 0.000 2.645 187 G HA2 -0.050 3.910 3.960 0.000 0.000 0.246 187 G HA3 -0.050 3.910 3.960 0.000 0.000 0.246 187 G C 0.793 175.464 174.900 -0.381 0.000 1.322 187 G CA 0.867 45.900 45.100 -0.111 0.000 0.898 187 G HN 1.260 nan 8.290 nan 0.000 0.573 188 T N -3.601 110.675 114.554 -0.463 0.000 3.132 188 T HA 0.538 4.888 4.350 0.000 0.000 0.274 188 T C 1.417 175.718 174.700 -0.666 0.000 1.011 188 T CA 1.097 62.485 62.100 -1.187 0.000 0.899 188 T CB 0.091 68.305 68.868 -1.089 0.000 1.089 188 T HN 1.793 nan 8.240 nan 0.000 0.543 189 S N 0.550 116.128 115.700 -0.204 0.000 2.650 189 S HA 0.355 4.825 4.470 0.000 0.000 0.240 189 S C 0.693 175.336 174.600 0.071 0.000 1.007 189 S CA -0.002 58.206 58.200 0.015 0.000 0.984 189 S CB 0.012 63.303 63.200 0.150 0.000 0.910 189 S HN 0.735 nan 8.310 nan 0.000 0.509 190 T N -1.127 113.470 114.554 0.072 0.000 2.742 190 T HA 0.449 4.799 4.350 0.000 0.000 0.282 190 T C 0.648 175.430 174.700 0.137 0.000 1.025 190 T CA -0.254 61.906 62.100 0.099 0.000 1.020 190 T CB 1.363 70.278 68.868 0.078 0.000 1.317 190 T HN 0.029 nan 8.240 nan 0.000 0.538 191 E N 0.135 120.398 120.200 0.105 0.000 2.418 191 E HA -0.047 4.303 4.350 0.000 0.000 0.197 191 E C 0.195 176.857 176.600 0.105 0.000 1.026 191 E CA 0.425 56.882 56.400 0.095 0.000 0.862 191 E CB -0.089 29.653 29.700 0.071 0.000 0.799 191 E HN 0.721 nan 8.360 nan 0.000 0.518 192 Q N 0.349 120.215 119.800 0.109 0.000 2.312 192 Q HA 0.570 4.910 4.340 0.000 0.000 0.236 192 Q C -0.610 175.442 176.000 0.088 0.000 0.965 192 Q CA -0.168 55.693 55.803 0.097 0.000 0.894 192 Q CB 1.556 30.341 28.738 0.077 0.000 1.225 192 Q HN 0.250 nan 8.270 nan 0.000 0.478 193 A N 0.763 123.614 122.820 0.053 0.000 2.486 193 A HA 0.449 4.769 4.320 0.000 0.000 0.300 193 A C -1.129 176.467 177.584 0.021 0.000 1.048 193 A CA -0.668 51.389 52.037 0.033 0.000 0.696 193 A CB 0.529 19.550 19.000 0.036 0.000 1.278 193 A HN 0.782 nan 8.150 nan 0.000 0.405 194 Y N 0.699 121.102 120.300 0.173 0.000 2.475 194 Y HA 0.130 4.680 4.550 0.000 0.000 0.289 194 Y C 0.725 176.680 175.900 0.092 0.000 1.121 194 Y CA 1.047 59.222 58.100 0.124 0.000 1.257 194 Y CB 0.217 38.737 38.460 0.099 0.000 1.026 194 Y HN 0.510 nan 8.280 nan 0.000 0.555 195 K N 1.446 121.969 120.400 0.205 0.000 2.624 195 K HA 0.222 4.542 4.320 0.000 0.000 0.200 195 K C -1.060 175.560 176.600 0.033 0.000 1.036 195 K CA -0.247 56.085 56.287 0.076 0.000 1.029 195 K CB 0.561 33.011 32.500 -0.083 0.000 1.317 195 K HN 0.088 nan 8.250 nan 0.000 0.555 196 N N 3.277 122.046 118.700 0.115 0.000 2.479 196 N HA 0.391 5.131 4.740 0.000 0.000 0.285 196 N C -0.654 174.953 175.510 0.161 0.000 1.075 196 N CA -0.216 52.913 53.050 0.133 0.000 0.967 196 N CB 1.459 40.074 38.487 0.213 0.000 1.137 196 N HN 0.274 nan 8.380 nan 0.000 0.472 197 I N 3.045 123.693 120.570 0.131 0.000 2.548 197 I HA 0.221 4.391 4.170 0.000 0.000 0.287 197 I C -2.299 173.910 176.117 0.153 0.000 1.103 197 I CA -1.943 59.452 61.300 0.158 0.000 1.049 197 I CB 2.206 40.296 38.000 0.150 0.000 1.232 197 I HN 0.224 nan 8.210 nan 0.000 0.429 198 P HA 0.179 nan 4.420 nan 0.000 0.220 198 P C -0.643 176.818 177.300 0.268 0.000 1.778 198 P CA 0.078 63.376 63.100 0.329 0.000 0.912 198 P CB -0.530 31.513 31.700 0.572 0.000 1.861 199 F N 2.830 122.735 119.950 -0.075 0.000 2.529 199 F HA 0.551 5.078 4.527 0.000 0.000 0.320 199 F C -1.245 174.432 175.800 -0.205 0.000 1.118 199 F CA -1.350 56.530 58.000 -0.200 0.000 0.915 199 F CB 1.497 40.236 39.000 -0.434 0.000 1.161 199 F HN -0.027 nan 8.300 nan 0.000 0.445 200 Y N 5.011 124.679 120.300 -1.052 0.000 2.576 200 Y HA 0.830 5.380 4.550 0.000 0.000 0.346 200 Y C -1.218 173.977 175.900 -1.175 0.000 1.018 200 Y CA -1.791 55.756 58.100 -0.922 0.000 1.050 200 Y CB 1.538 39.669 38.460 -0.549 0.000 1.280 200 Y HN 0.742 nan 8.280 nan 0.000 0.474 201 M N 1.392 120.678 119.600 -0.523 0.000 2.658 201 M HA 0.825 5.305 4.480 0.000 0.000 0.295 201 M C -0.993 175.242 176.300 -0.108 0.000 1.248 201 M CA -0.772 54.280 55.300 -0.413 0.000 0.843 201 M CB 2.491 34.905 32.600 -0.310 0.000 1.749 201 M HN 0.863 nan 8.290 nan 0.000 0.464 202 T N -2.383 112.009 114.554 -0.270 0.000 2.926 202 T HA 0.397 4.747 4.350 0.000 0.000 0.289 202 T C 0.407 175.044 174.700 -0.104 0.000 1.054 202 T CA -0.648 61.364 62.100 -0.146 0.000 1.015 202 T CB 1.194 69.862 68.868 -0.333 0.000 1.167 202 T HN 0.848 nan 8.240 nan 0.000 0.526 203 N N 0.085 118.802 118.700 0.029 0.000 2.501 203 N HA -0.040 4.700 4.740 0.000 0.000 0.195 203 N C 1.035 176.522 175.510 -0.038 0.000 1.213 203 N CA -0.024 53.020 53.050 -0.011 0.000 0.864 203 N CB -0.400 38.123 38.487 0.059 0.000 0.999 203 N HN 0.784 nan 8.380 nan 0.000 0.454 204 R N -0.283 120.171 120.500 -0.077 0.000 2.362 204 R HA 0.219 4.559 4.340 0.000 0.000 0.227 204 R C 0.496 176.824 176.300 0.046 0.000 0.905 204 R CA 0.590 56.701 56.100 0.018 0.000 1.067 204 R CB -0.140 30.239 30.300 0.131 0.000 1.078 204 R HN 0.165 nan 8.270 nan 0.000 0.516 205 G N 0.416 109.174 108.800 -0.070 0.000 2.140 205 G HA2 -0.279 3.681 3.960 0.000 0.000 0.211 205 G HA3 -0.279 3.681 3.960 0.000 0.000 0.211 205 G C -0.580 174.364 174.900 0.075 0.000 1.013 205 G CA 0.365 45.462 45.100 -0.006 0.000 0.705 205 G HN 0.475 nan 8.290 nan 0.000 0.508 206 Y N -1.810 118.475 120.300 -0.024 0.000 2.609 206 Y HA 0.840 5.390 4.550 0.000 0.000 0.342 206 Y C 0.354 176.185 175.900 -0.115 0.000 1.058 206 Y CA -1.332 56.738 58.100 -0.049 0.000 1.055 206 Y CB 0.990 39.417 38.460 -0.055 0.000 1.292 206 Y HN 0.618 nan 8.280 nan 0.000 0.476 207 G N 0.062 108.879 108.800 0.027 0.000 2.630 207 G HA2 0.612 4.572 3.960 0.000 0.000 0.296 207 G HA3 0.612 4.572 3.960 0.000 0.000 0.296 207 G C -1.856 172.913 174.900 -0.218 0.000 1.285 207 G CA -0.876 44.057 45.100 -0.277 0.000 0.958 207 G HN 1.417 nan 8.290 nan 0.000 0.479 208 V N 0.425 119.935 119.914 -0.673 0.000 2.668 208 V HA 0.743 4.863 4.120 0.000 0.000 0.304 208 V C -1.616 174.343 176.094 -0.224 0.000 1.071 208 V CA -0.942 61.120 62.300 -0.397 0.000 0.894 208 V CB 1.486 33.066 31.823 -0.406 0.000 1.008 208 V HN 0.858 nan 8.190 nan 0.000 0.425 209 L N 7.365 128.740 121.223 0.253 0.000 2.272 209 L HA 0.737 5.077 4.340 0.000 0.000 0.289 209 L C -0.595 176.499 176.870 0.374 0.000 1.032 209 L CA 0.028 55.122 54.840 0.423 0.000 0.810 209 L CB 1.723 44.161 42.059 0.632 0.000 1.205 209 L HN 0.602 nan 8.230 nan 0.000 0.422 210 V N 5.005 125.094 119.914 0.291 0.000 2.364 210 V HA 0.280 4.400 4.120 0.000 0.000 0.272 210 V C 0.303 176.649 176.094 0.421 0.000 1.036 210 V CA -0.537 61.920 62.300 0.262 0.000 0.880 210 V CB 0.983 32.834 31.823 0.047 0.000 0.991 210 V HN 0.802 nan 8.190 nan 0.000 0.460 211 N N 3.996 122.902 118.700 0.342 0.000 3.298 211 N HA 0.172 4.912 4.740 0.000 0.000 0.292 211 N C -0.657 174.765 175.510 -0.146 0.000 1.271 211 N CA -0.107 53.126 53.050 0.304 0.000 1.184 211 N CB -0.497 38.243 38.487 0.420 0.000 1.452 211 N HN 0.806 nan 8.380 nan 0.000 0.534 212 H N -0.251 119.001 119.070 0.303 0.000 3.108 212 H HA 0.262 4.818 4.556 0.000 0.000 0.329 212 H C -1.880 173.457 175.328 0.014 0.000 0.978 212 H CA -1.373 54.737 56.048 0.103 0.000 1.413 212 H CB 1.964 31.802 29.762 0.127 0.000 1.670 212 H HN 0.219 nan 8.280 nan 0.000 0.512 213 P HA -0.069 nan 4.420 nan 0.000 0.233 213 P C -0.058 177.354 177.300 0.186 0.000 1.167 213 P CA 0.488 63.488 63.100 -0.167 0.000 0.770 213 P CB 0.439 31.835 31.700 -0.506 0.000 0.837 214 Q N -0.741 119.196 119.800 0.228 0.000 2.544 214 Q HA 0.119 4.459 4.340 0.000 0.000 0.194 214 Q C 0.269 176.517 176.000 0.413 0.000 1.104 214 Q CA -0.336 55.667 55.803 0.334 0.000 1.131 214 Q CB -0.653 28.217 28.738 0.219 0.000 1.210 214 Q HN -0.012 nan 8.270 nan 0.000 0.639 215 C N 0.904 120.453 119.300 0.414 0.000 2.590 215 C HA 0.255 4.715 4.460 0.000 0.000 0.411 215 C C -0.239 174.872 174.990 0.201 0.000 1.420 215 C CA -0.373 58.835 59.018 0.315 0.000 1.643 215 C CB -1.126 26.572 27.740 -0.071 0.000 2.528 215 C HN 0.461 nan 8.230 nan 0.000 0.606 216 V N 6.849 126.916 119.914 0.254 0.000 2.435 216 V HA 0.425 4.545 4.120 0.000 0.000 0.290 216 V C 0.277 176.432 176.094 0.102 0.000 1.030 216 V CA -0.131 62.245 62.300 0.128 0.000 0.881 216 V CB 1.847 33.758 31.823 0.147 0.000 0.983 216 V HN 0.910 nan 8.190 nan 0.000 0.445 217 S N 4.766 120.441 115.700 -0.041 0.000 2.420 217 S HA 0.647 5.117 4.470 0.000 0.000 0.313 217 S C -0.895 173.662 174.600 -0.072 0.000 1.079 217 S CA -0.423 57.774 58.200 -0.005 0.000 1.104 217 S CB -0.158 63.002 63.200 -0.067 0.000 0.969 217 S HN 0.387 nan 8.310 nan 0.000 0.471 218 F N 3.093 123.086 119.950 0.071 0.000 2.408 218 F HA 0.427 4.954 4.527 0.000 0.000 0.344 218 F C 0.824 176.625 175.800 0.002 0.000 1.112 218 F CA -0.660 57.380 58.000 0.068 0.000 1.096 218 F CB 1.261 40.285 39.000 0.039 0.000 1.129 218 F HN 0.397 nan 8.300 nan 0.000 0.486 219 E N 3.581 123.860 120.200 0.132 0.000 2.121 219 E HA 0.241 4.591 4.350 0.000 0.000 0.255 219 E C -0.937 175.683 176.600 0.033 0.000 0.906 219 E CA -0.366 56.062 56.400 0.046 0.000 0.745 219 E CB 1.728 31.418 29.700 -0.016 0.000 1.155 219 E HN 0.244 nan 8.360 nan 0.000 0.424 220 V N 1.724 121.641 119.914 0.004 0.000 2.299 220 V HA 0.231 4.352 4.120 0.000 0.000 0.255 220 V C 1.367 177.410 176.094 -0.085 0.000 1.100 220 V CA 0.082 62.337 62.300 -0.075 0.000 0.938 220 V CB 0.282 32.012 31.823 -0.154 0.000 1.139 220 V HN 0.909 nan 8.190 nan 0.000 0.490 221 G N 4.624 113.381 108.800 -0.072 0.000 2.296 221 G HA2 -0.306 3.654 3.960 0.000 0.000 0.282 221 G HA3 -0.306 3.654 3.960 0.000 0.000 0.282 221 G C 0.805 175.673 174.900 -0.053 0.000 1.014 221 G CA 0.833 45.897 45.100 -0.061 0.000 0.812 221 G HN 1.054 nan 8.290 nan 0.000 0.508 222 S N -2.322 113.350 115.700 -0.047 0.000 2.526 222 S HA 0.375 4.845 4.470 0.000 0.000 0.220 222 S C 1.277 175.849 174.600 -0.048 0.000 1.017 222 S CA 0.804 58.978 58.200 -0.043 0.000 0.930 222 S CB 0.720 63.899 63.200 -0.035 0.000 0.856 222 S HN 0.625 nan 8.310 nan 0.000 0.497 223 E N 1.269 121.437 120.200 -0.054 0.000 2.307 223 E HA 0.212 4.562 4.350 0.000 0.000 0.192 223 E C -0.509 176.049 176.600 -0.070 0.000 0.967 223 E CA -0.046 56.313 56.400 -0.068 0.000 1.042 223 E CB 0.458 30.109 29.700 -0.082 0.000 1.126 223 E HN 0.037 nan 8.360 nan 0.000 0.484 224 K N 2.318 122.679 120.400 -0.065 0.000 2.253 224 K HA 0.128 4.448 4.320 0.000 0.000 0.277 224 K C 0.916 177.486 176.600 -0.051 0.000 1.053 224 K CA 0.003 56.252 56.287 -0.063 0.000 0.892 224 K CB 1.691 34.158 32.500 -0.056 0.000 1.102 224 K HN 0.242 nan 8.250 nan 0.000 0.469 225 V N -0.133 119.750 119.914 -0.052 0.000 3.141 225 V HA -0.037 4.083 4.120 0.000 0.000 0.265 225 V C 0.761 176.831 176.094 -0.039 0.000 1.126 225 V CA 0.998 63.270 62.300 -0.046 0.000 1.141 225 V CB -0.131 31.666 31.823 -0.044 0.000 0.743 225 V HN 0.481 nan 8.190 nan 0.000 0.492 226 S N 0.329 116.009 115.700 -0.033 0.000 2.661 226 S HA 0.472 4.942 4.470 0.000 0.000 0.245 226 S C -0.117 174.478 174.600 -0.008 0.000 1.117 226 S CA -0.578 57.610 58.200 -0.020 0.000 1.091 226 S CB -0.078 63.113 63.200 -0.014 0.000 0.887 226 S HN 0.719 nan 8.310 nan 0.000 0.491 227 K N 0.672 121.063 120.400 -0.016 0.000 2.508 227 K HA 0.511 4.831 4.320 0.000 0.000 0.260 227 K C -1.288 175.303 176.600 -0.015 0.000 0.949 227 K CA -0.805 55.483 56.287 0.000 0.000 0.834 227 K CB 2.228 34.728 32.500 -0.001 0.000 1.365 227 K HN -0.091 nan 8.250 nan 0.000 0.437 228 V N 2.516 122.435 119.914 0.007 0.000 2.353 228 V HA 0.148 4.268 4.120 0.000 0.000 0.264 228 V C -0.046 176.101 176.094 0.089 0.000 1.049 228 V CA -0.459 61.850 62.300 0.015 0.000 0.896 228 V CB 0.760 32.516 31.823 -0.113 0.000 1.025 228 V HN 0.662 nan 8.190 nan 0.000 0.475 229 Q N 5.153 124.982 119.800 0.049 0.000 2.256 229 Q HA 0.605 4.945 4.340 0.000 0.000 0.254 229 Q C -1.237 174.781 176.000 0.030 0.000 0.916 229 Q CA -0.520 55.260 55.803 -0.038 0.000 0.932 229 Q CB 1.137 29.855 28.738 -0.033 0.000 1.207 229 Q HN 0.730 nan 8.270 nan 0.000 0.426 230 F N 0.691 120.571 119.950 -0.117 0.000 2.565 230 F HA 0.769 5.296 4.527 0.000 0.000 0.313 230 F C -0.933 174.761 175.800 -0.176 0.000 1.091 230 F CA -0.925 56.865 58.000 -0.350 0.000 0.915 230 F CB 1.646 40.234 39.000 -0.686 0.000 1.208 230 F HN 0.433 nan 8.300 nan 0.000 0.453 231 S N 1.914 117.585 115.700 -0.049 0.000 2.564 231 S HA 0.874 5.344 4.470 0.000 0.000 0.274 231 S C -1.876 172.712 174.600 -0.019 0.000 1.124 231 S CA -0.829 57.368 58.200 -0.006 0.000 0.869 231 S CB 1.779 64.946 63.200 -0.055 0.000 1.105 231 S HN 1.349 nan 8.310 nan 0.000 0.472 232 V N 0.846 120.771 119.914 0.018 0.000 2.932 232 V HA 0.522 4.642 4.120 0.000 0.000 0.307 232 V C -0.962 175.167 176.094 0.058 0.000 1.147 232 V CA -0.670 61.606 62.300 -0.039 0.000 0.951 232 V CB 1.903 33.521 31.823 -0.341 0.000 1.031 232 V HN 1.126 nan 8.190 nan 0.000 0.426 233 E N 3.822 124.052 120.200 0.049 0.000 1.944 233 E HA 0.514 4.864 4.350 0.000 0.000 0.272 233 E C -0.533 175.977 176.600 -0.150 0.000 1.195 233 E CA 0.324 56.627 56.400 -0.161 0.000 0.926 233 E CB 0.382 29.953 29.700 -0.214 0.000 1.051 233 E HN 0.725 nan 8.360 nan 0.000 0.404 234 S N 3.039 118.658 115.700 -0.135 0.000 2.597 234 S HA 0.098 4.568 4.470 0.000 0.000 0.274 234 S C -0.232 174.399 174.600 0.052 0.000 1.132 234 S CA -0.699 57.449 58.200 -0.087 0.000 0.835 234 S CB 1.264 64.281 63.200 -0.306 0.000 1.092 234 S HN 0.523 nan 8.310 nan 0.000 0.457 235 E N 0.667 120.963 120.200 0.160 0.000 2.474 235 E HA 0.176 4.526 4.350 0.000 0.000 0.194 235 E C -0.425 176.364 176.600 0.315 0.000 1.041 235 E CA 0.503 57.071 56.400 0.279 0.000 0.874 235 E CB 0.235 30.103 29.700 0.279 0.000 0.914 235 E HN 0.598 nan 8.360 nan 0.000 0.498 236 Y N -1.484 118.937 120.300 0.202 0.000 2.553 236 Y HA 0.630 5.180 4.550 0.000 0.000 0.347 236 Y C -1.229 174.830 175.900 0.265 0.000 1.019 236 Y CA -1.712 56.515 58.100 0.212 0.000 1.032 236 Y CB 0.974 39.536 38.460 0.172 0.000 1.284 236 Y HN -0.208 nan 8.280 nan 0.000 0.466 237 L N 2.785 124.159 121.223 0.252 0.000 2.365 237 L HA 0.648 4.988 4.340 0.000 0.000 0.273 237 L C -1.200 175.968 176.870 0.497 0.000 1.000 237 L CA -0.501 54.546 54.840 0.344 0.000 0.819 237 L CB 2.094 44.330 42.059 0.295 0.000 1.284 237 L HN 0.911 nan 8.230 nan 0.000 0.418 238 E N 3.576 124.113 120.200 0.560 0.000 2.241 238 E HA 0.458 4.808 4.350 0.000 0.000 0.263 238 E C -2.026 174.685 176.600 0.185 0.000 0.882 238 E CA -0.610 55.929 56.400 0.231 0.000 0.769 238 E CB 1.239 31.060 29.700 0.202 0.000 1.185 238 E HN 0.568 nan 8.360 nan 0.000 0.415 239 Y N 1.553 121.791 120.300 -0.104 0.000 2.581 239 Y HA 0.699 5.249 4.550 0.000 0.000 0.345 239 Y C -1.646 174.009 175.900 -0.410 0.000 1.036 239 Y CA -1.511 56.523 58.100 -0.110 0.000 1.042 239 Y CB 1.013 39.515 38.460 0.070 0.000 1.289 239 Y HN 0.217 nan 8.280 nan 0.000 0.471 240 F N 1.772 121.839 119.950 0.195 0.000 2.449 240 F HA 0.594 5.121 4.527 0.000 0.000 0.342 240 F C -0.530 175.285 175.800 0.025 0.000 1.127 240 F CA -1.221 56.796 58.000 0.027 0.000 0.975 240 F CB 1.925 40.974 39.000 0.082 0.000 1.146 240 F HN 0.333 nan 8.300 nan 0.000 0.444 241 V N 5.288 125.222 119.914 0.034 0.000 2.498 241 V HA 0.345 4.465 4.120 0.000 0.000 0.279 241 V C 0.107 176.198 176.094 -0.005 0.000 1.048 241 V CA -0.483 61.760 62.300 -0.096 0.000 0.967 241 V CB 1.255 32.781 31.823 -0.495 0.000 0.988 241 V HN 0.532 nan 8.190 nan 0.000 0.473 242 I N 3.667 124.267 120.570 0.049 0.000 2.411 242 I HA 0.337 4.507 4.170 0.000 0.000 0.284 242 I C -0.288 175.885 176.117 0.092 0.000 1.012 242 I CA -0.507 60.838 61.300 0.075 0.000 1.119 242 I CB 1.668 39.770 38.000 0.170 0.000 1.261 242 I HN 0.506 nan 8.210 nan 0.000 0.448 243 D N 4.056 124.488 120.400 0.054 0.000 2.357 243 D HA 0.350 4.990 4.640 0.000 0.000 0.242 243 D C 0.620 176.954 176.300 0.056 0.000 1.153 243 D CA 0.368 54.406 54.000 0.064 0.000 0.918 243 D CB 1.638 42.456 40.800 0.029 0.000 1.181 243 D HN 0.610 nan 8.370 nan 0.000 0.435 244 G N 0.711 109.546 108.800 0.057 0.000 2.754 244 G HA2 0.140 4.100 3.960 0.000 0.000 0.210 244 G HA3 0.140 4.100 3.960 0.000 0.000 0.210 244 G C -1.608 173.299 174.900 0.013 0.000 2.092 244 G CA -0.200 44.918 45.100 0.029 0.000 0.766 244 G HN 0.572 nan 8.290 nan 0.000 0.745 245 P HA 0.160 nan 4.420 nan 0.000 0.253 245 P C 0.191 177.495 177.300 0.006 0.000 1.260 245 P CA 0.723 63.837 63.100 0.024 0.000 0.800 245 P CB 0.419 32.131 31.700 0.021 0.000 1.162 246 T N -0.485 114.062 114.554 -0.012 0.000 2.888 246 T HA 0.404 4.754 4.350 0.000 0.000 0.284 246 T C -1.982 172.689 174.700 -0.048 0.000 1.017 246 T CA -2.448 59.631 62.100 -0.035 0.000 1.022 246 T CB 1.563 70.405 68.868 -0.043 0.000 1.013 246 T HN -0.322 nan 8.240 nan 0.000 0.465 247 P HA -0.136 nan 4.420 nan 0.000 0.217 247 P C 1.257 178.514 177.300 -0.071 0.000 1.158 247 P CA 1.583 64.627 63.100 -0.093 0.000 0.887 247 P CB 0.145 31.757 31.700 -0.146 0.000 0.792 248 K N -0.934 119.418 120.400 -0.079 0.000 2.097 248 K HA -0.098 4.222 4.320 0.000 0.000 0.206 248 K C 2.120 178.687 176.600 -0.055 0.000 1.049 248 K CA 1.541 57.782 56.287 -0.076 0.000 0.933 248 K CB -0.594 31.854 32.500 -0.086 0.000 0.717 248 K HN 0.074 nan 8.250 nan 0.000 0.442 249 A N 0.875 123.670 122.820 -0.042 0.000 1.969 249 A HA -0.084 4.236 4.320 0.000 0.000 0.218 249 A C 2.320 179.900 177.584 -0.007 0.000 1.169 249 A CA 1.088 53.108 52.037 -0.028 0.000 0.635 249 A CB -0.428 18.559 19.000 -0.022 0.000 0.810 249 A HN 0.056 nan 8.150 nan 0.000 0.445 250 V N 0.075 119.995 119.914 0.010 0.000 2.307 250 V HA -0.244 3.876 4.120 0.000 0.000 0.245 250 V C 2.540 178.675 176.094 0.069 0.000 1.045 250 V CA 1.948 64.285 62.300 0.060 0.000 1.024 250 V CB -0.742 31.127 31.823 0.078 0.000 0.651 250 V HN 0.571 nan 8.190 nan 0.000 0.449 251 L N -0.027 121.208 121.223 0.022 0.000 2.083 251 L HA -0.176 4.164 4.340 0.000 0.000 0.209 251 L C 2.434 179.284 176.870 -0.033 0.000 1.083 251 L CA 1.650 56.481 54.840 -0.016 0.000 0.752 251 L CB -0.640 41.384 42.059 -0.058 0.000 0.899 251 L HN 0.396 nan 8.230 nan 0.000 0.433 252 D N 0.522 120.896 120.400 -0.043 0.000 2.087 252 D HA -0.205 4.435 4.640 0.000 0.000 0.192 252 D C 2.310 178.578 176.300 -0.054 0.000 0.993 252 D CA 1.550 55.515 54.000 -0.059 0.000 0.828 252 D CB 0.061 40.829 40.800 -0.054 0.000 0.968 252 D HN 0.120 nan 8.370 nan 0.000 0.448 253 R N -1.158 119.325 120.500 -0.027 0.000 2.081 253 R HA -0.182 4.158 4.340 0.000 0.000 0.235 253 R C 2.459 178.751 176.300 -0.013 0.000 1.131 253 R CA 1.296 57.378 56.100 -0.030 0.000 0.960 253 R CB -0.584 29.703 30.300 -0.022 0.000 0.856 253 R HN 0.352 nan 8.270 nan 0.000 0.436 254 Y N 1.781 122.007 120.300 -0.123 0.000 2.181 254 Y HA -0.235 4.315 4.550 0.000 0.000 0.288 254 Y C 2.480 178.247 175.900 -0.220 0.000 1.146 254 Y CA 2.001 59.987 58.100 -0.190 0.000 1.164 254 Y CB -0.387 37.770 38.460 -0.504 0.000 0.982 254 Y HN 0.107 nan 8.280 nan 0.000 0.515 255 T N -1.743 112.630 114.554 -0.301 0.000 2.942 255 T HA -0.107 4.243 4.350 0.000 0.000 0.265 255 T C 2.027 176.543 174.700 -0.306 0.000 1.062 255 T CA 1.062 62.928 62.100 -0.391 0.000 1.139 255 T CB -0.459 68.249 68.868 -0.267 0.000 0.883 255 T HN 0.378 nan 8.240 nan 0.000 0.468 256 R N -0.361 120.026 120.500 -0.187 0.000 2.091 256 R HA -0.072 4.268 4.340 0.000 0.000 0.238 256 R C 2.145 178.383 176.300 -0.103 0.000 1.136 256 R CA 1.417 57.441 56.100 -0.127 0.000 0.959 256 R CB -0.477 29.775 30.300 -0.079 0.000 0.856 256 R HN 0.422 nan 8.270 nan 0.000 0.437 257 F N 0.759 120.505 119.950 -0.341 0.000 2.234 257 F HA -0.054 4.473 4.527 0.000 0.000 0.296 257 F C 2.074 177.603 175.800 -0.451 0.000 1.089 257 F CA 1.866 59.642 58.000 -0.373 0.000 1.343 257 F CB -0.297 38.465 39.000 -0.397 0.000 1.040 257 F HN 0.140 nan 8.300 nan 0.000 0.498 258 T N -2.738 111.400 114.554 -0.692 0.000 2.959 258 T HA 0.539 4.889 4.350 0.000 0.000 0.254 258 T C 0.728 175.064 174.700 -0.606 0.000 1.003 258 T CA 0.324 61.921 62.100 -0.838 0.000 0.950 258 T CB 0.170 68.339 68.868 -1.165 0.000 1.090 258 T HN 0.569 nan 8.240 nan 0.000 0.503 259 G N 1.427 109.920 108.800 -0.512 0.000 2.397 259 G HA2 0.258 4.218 3.960 0.000 0.000 0.453 259 G HA3 0.258 4.218 3.960 0.000 0.000 0.453 259 G C -1.420 173.240 174.900 -0.400 0.000 1.579 259 G CA -1.291 43.563 45.100 -0.410 0.000 0.906 259 G HN 0.312 nan 8.290 nan 0.000 0.675 260 R N 1.555 121.876 120.500 -0.298 0.000 2.389 260 R HA 0.388 4.728 4.340 0.000 0.000 0.295 260 R C -2.382 173.760 176.300 -0.262 0.000 1.075 260 R CA -1.842 54.111 56.100 -0.245 0.000 1.005 260 R CB 0.425 30.631 30.300 -0.156 0.000 0.987 260 R HN 0.311 nan 8.270 nan 0.000 0.452 261 P HA -0.068 nan 4.420 nan 0.000 0.264 261 P C -0.452 176.832 177.300 -0.027 0.000 1.183 261 P CA 0.443 63.462 63.100 -0.134 0.000 0.763 261 P CB 0.509 32.183 31.700 -0.042 0.000 0.807 262 A N 3.493 126.287 122.820 -0.045 0.000 2.366 262 A HA 0.311 4.631 4.320 0.000 0.000 0.249 262 A C -0.279 177.395 177.584 0.151 0.000 1.084 262 A CA -0.243 51.835 52.037 0.069 0.000 0.794 262 A CB -0.156 18.927 19.000 0.139 0.000 1.034 262 A HN 0.569 nan 8.150 nan 0.000 0.491 263 L N 2.787 124.086 121.223 0.127 0.000 2.261 263 L HA 0.460 4.800 4.340 0.000 0.000 0.289 263 L C -2.205 174.676 176.870 0.018 0.000 1.059 263 L CA -1.764 53.111 54.840 0.058 0.000 0.816 263 L CB 0.500 42.597 42.059 0.063 0.000 1.191 263 L HN 0.371 nan 8.230 nan 0.000 0.431 264 P HA 0.272 nan 4.420 nan 0.000 0.272 264 P C -2.699 174.692 177.300 0.152 0.000 1.223 264 P CA -1.305 61.743 63.100 -0.086 0.000 0.784 264 P CB -0.260 31.232 31.700 -0.347 0.000 0.923 265 P HA 0.015 nan 4.420 nan 0.000 0.271 265 P C 0.367 177.681 177.300 0.022 0.000 1.216 265 P CA 0.080 63.132 63.100 -0.081 0.000 0.776 265 P CB 0.589 32.013 31.700 -0.460 0.000 0.881 266 A N 4.922 127.804 122.820 0.103 0.000 1.948 266 A HA -0.178 4.142 4.320 0.000 0.000 0.220 266 A C 2.026 179.788 177.584 0.296 0.000 1.177 266 A CA 1.681 53.794 52.037 0.127 0.000 0.636 266 A CB -1.737 17.144 19.000 -0.198 0.000 0.815 266 A HN 0.833 nan 8.150 nan 0.000 0.449 267 W N 0.700 122.132 121.300 0.220 0.000 2.350 267 W HA -0.180 4.480 4.660 0.000 0.000 0.289 267 W C 1.987 178.651 176.519 0.242 0.000 1.215 267 W CA 1.380 58.820 57.345 0.159 0.000 1.236 267 W CB -1.486 28.014 29.460 0.066 0.000 1.130 267 W HN 0.540 nan 8.180 nan 0.000 0.541 268 S N 0.913 116.563 115.700 -0.083 0.000 2.440 268 S HA -0.232 4.238 4.470 0.000 0.000 0.238 268 S C 1.397 176.229 174.600 0.386 0.000 1.010 268 S CA 1.004 59.291 58.200 0.144 0.000 0.972 268 S CB -1.426 61.657 63.200 -0.195 0.000 0.774 268 S HN 0.239 nan 8.310 nan 0.000 0.501 269 F N 2.369 122.422 119.950 0.172 0.000 2.811 269 F HA 0.364 4.891 4.527 0.000 0.000 0.301 269 F C 1.888 177.770 175.800 0.137 0.000 1.151 269 F CA -0.192 57.815 58.000 0.010 0.000 1.412 269 F CB -0.499 38.488 39.000 -0.022 0.000 1.113 269 F HN 0.321 nan 8.300 nan 0.000 0.579 270 G N 0.194 109.220 108.800 0.376 0.000 2.553 270 G HA2 0.279 4.239 3.960 0.000 0.000 0.278 270 G HA3 0.279 4.239 3.960 0.000 0.000 0.278 270 G C -0.988 174.239 174.900 0.546 0.000 1.349 270 G CA -0.573 44.708 45.100 0.301 0.000 1.037 270 G HN 0.010 nan 8.290 nan 0.000 0.508 271 L N -0.306 121.316 121.223 0.665 0.000 2.319 271 L HA 0.501 4.841 4.340 0.000 0.000 0.280 271 L C -1.084 176.039 176.870 0.421 0.000 1.099 271 L CA -0.945 54.187 54.840 0.487 0.000 0.828 271 L CB 0.390 42.653 42.059 0.339 0.000 1.150 271 L HN 0.419 nan 8.230 nan 0.000 0.442 272 W N 6.346 127.712 121.300 0.110 0.000 2.417 272 W HA 0.600 5.260 4.660 0.000 0.000 0.317 272 W C -0.481 176.024 176.519 -0.023 0.000 1.121 272 W CA -0.442 56.906 57.345 0.006 0.000 1.208 272 W CB 0.994 30.369 29.460 -0.141 0.000 1.253 272 W HN 0.311 nan 8.180 nan 0.000 0.533 273 L N 3.386 124.696 121.223 0.145 0.000 2.401 273 L HA 0.673 5.013 4.340 0.000 0.000 0.266 273 L C -0.039 176.726 176.870 -0.176 0.000 0.991 273 L CA -0.510 54.380 54.840 0.083 0.000 0.818 273 L CB 2.306 44.495 42.059 0.216 0.000 1.321 273 L HN 0.575 nan 8.230 nan 0.000 0.413 274 T N -1.818 112.666 114.554 -0.116 0.000 2.926 274 T HA 0.251 4.601 4.350 0.000 0.000 0.289 274 T C 1.075 175.695 174.700 -0.133 0.000 1.054 274 T CA 0.177 62.113 62.100 -0.274 0.000 1.015 274 T CB 1.588 70.581 68.868 0.209 0.000 1.167 274 T HN 0.734 nan 8.240 nan 0.000 0.526 275 T N -0.543 113.826 114.554 -0.309 0.000 3.025 275 T HA 0.121 4.471 4.350 0.000 0.000 0.270 275 T C 1.208 175.923 174.700 0.025 0.000 1.126 275 T CA 0.819 62.797 62.100 -0.204 0.000 1.105 275 T CB -1.188 67.072 68.868 -1.013 0.000 0.884 275 T HN 1.936 nan 8.240 nan 0.000 0.522 276 S N -0.322 115.459 115.700 0.136 0.000 3.756 276 S HA -0.194 4.276 4.470 0.000 0.000 0.640 276 S C 0.112 174.899 174.600 0.312 0.000 2.059 276 S CA 0.276 58.519 58.200 0.073 0.000 2.224 276 S CB -1.548 61.717 63.200 0.107 0.000 0.327 276 S HN 0.548 nan 8.310 nan 0.000 1.789 277 F N 1.536 121.596 119.950 0.183 0.000 2.287 277 F HA 0.294 4.821 4.527 0.000 0.000 0.276 277 F C 2.497 178.601 175.800 0.507 0.000 1.047 277 F CA 2.406 60.664 58.000 0.430 0.000 1.194 277 F CB -0.896 38.397 39.000 0.489 0.000 1.118 277 F HN 1.004 nan 8.300 nan 0.000 0.556 278 T N -1.559 112.984 114.554 -0.018 0.000 3.085 278 T HA 0.212 4.562 4.350 0.000 0.000 0.264 278 T C 0.696 175.223 174.700 -0.287 0.000 1.019 278 T CA 0.321 62.209 62.100 -0.354 0.000 0.910 278 T CB -1.353 67.201 68.868 -0.522 0.000 1.059 278 T HN 0.312 nan 8.240 nan 0.000 0.542 279 T N 1.522 116.033 114.554 -0.071 0.000 2.734 279 T HA 0.216 4.566 4.350 0.000 0.000 0.314 279 T C 0.040 174.726 174.700 -0.024 0.000 1.057 279 T CA -0.601 61.461 62.100 -0.064 0.000 1.047 279 T CB -0.060 68.763 68.868 -0.075 0.000 0.991 279 T HN 0.380 nan 8.240 nan 0.000 0.540 280 N N 1.033 119.750 118.700 0.027 0.000 2.518 280 N HA 0.524 5.264 4.740 0.000 0.000 0.283 280 N C -1.142 174.510 175.510 0.236 0.000 1.119 280 N CA -0.652 52.376 53.050 -0.038 0.000 0.983 280 N CB 0.489 38.956 38.487 -0.034 0.000 1.139 280 N HN 0.800 nan 8.380 nan 0.000 0.465 281 Y N -1.478 118.856 120.300 0.057 0.000 2.521 281 Y HA 0.559 5.109 4.550 0.000 0.000 0.332 281 Y C -1.521 174.360 175.900 -0.031 0.000 1.121 281 Y CA -1.444 56.712 58.100 0.093 0.000 1.037 281 Y CB 1.078 39.693 38.460 0.258 0.000 1.330 281 Y HN 0.566 nan 8.280 nan 0.000 0.452 282 D N -0.317 120.099 120.400 0.027 0.000 2.812 282 D HA 0.212 4.852 4.640 0.000 0.000 0.318 282 D C 0.593 176.875 176.300 -0.030 0.000 1.234 282 D CA -0.604 53.153 54.000 -0.405 0.000 0.989 282 D CB 0.885 41.501 40.800 -0.306 0.000 1.442 282 D HN 0.655 nan 8.370 nan 0.000 0.537 283 E N -0.455 119.731 120.200 -0.023 0.000 2.118 283 E HA -0.229 4.121 4.350 0.000 0.000 0.195 283 E C 1.778 178.426 176.600 0.080 0.000 0.992 283 E CA 1.626 58.174 56.400 0.245 0.000 0.804 283 E CB -0.291 29.516 29.700 0.178 0.000 0.741 283 E HN 0.464 nan 8.360 nan 0.000 0.458 284 A N 0.080 122.897 122.820 -0.004 0.000 1.897 284 A HA -0.092 4.228 4.320 0.000 0.000 0.215 284 A C 2.394 179.922 177.584 -0.093 0.000 1.181 284 A CA 1.629 53.641 52.037 -0.042 0.000 0.620 284 A CB -0.849 18.126 19.000 -0.041 0.000 0.821 284 A HN 0.331 nan 8.150 nan 0.000 0.443 285 T N -0.035 114.443 114.554 -0.126 0.000 2.699 285 T HA -0.164 4.186 4.350 0.000 0.000 0.268 285 T C 1.869 176.245 174.700 -0.541 0.000 1.036 285 T CA 1.773 63.683 62.100 -0.318 0.000 1.147 285 T CB -0.436 68.278 68.868 -0.258 0.000 0.862 285 T HN 0.162 nan 8.240 nan 0.000 0.446 286 V N 2.248 121.985 119.914 -0.295 0.000 2.270 286 V HA -0.183 3.937 4.120 0.000 0.000 0.245 286 V C 2.450 178.336 176.094 -0.347 0.000 1.043 286 V CA 1.591 63.658 62.300 -0.388 0.000 1.014 286 V CB -0.642 31.066 31.823 -0.192 0.000 0.645 286 V HN 0.439 nan 8.190 nan 0.000 0.447 287 N N 0.374 118.960 118.700 -0.189 0.000 2.037 287 N HA -0.212 4.528 4.740 0.000 0.000 0.196 287 N C 2.181 177.652 175.510 -0.066 0.000 1.034 287 N CA 2.021 54.998 53.050 -0.123 0.000 0.861 287 N CB -0.844 37.599 38.487 -0.074 0.000 1.039 287 N HN 0.496 nan 8.380 nan 0.000 0.427 288 S N 0.239 115.910 115.700 -0.050 0.000 2.368 288 S HA -0.150 4.320 4.470 0.000 0.000 0.226 288 S C 1.871 176.622 174.600 0.252 0.000 1.044 288 S CA 1.071 59.305 58.200 0.057 0.000 1.062 288 S CB -0.362 62.864 63.200 0.044 0.000 0.931 288 S HN 0.204 nan 8.310 nan 0.000 0.440 289 F N 1.282 121.249 119.950 0.028 0.000 2.102 289 F HA 0.098 4.625 4.527 0.000 0.000 0.298 289 F C 2.311 178.195 175.800 0.140 0.000 1.105 289 F CA 0.253 58.347 58.000 0.156 0.000 1.239 289 F CB -1.254 37.799 39.000 0.088 0.000 0.991 289 F HN 0.240 nan 8.300 nan 0.000 0.474 290 I N -0.039 120.628 120.570 0.161 0.000 2.226 290 I HA -0.284 3.886 4.170 0.000 0.000 0.245 290 I C 1.980 178.119 176.117 0.037 0.000 1.100 290 I CA 1.397 62.718 61.300 0.034 0.000 1.374 290 I CB -0.409 37.502 38.000 -0.149 0.000 1.057 290 I HN -0.006 nan 8.210 nan 0.000 0.413 291 D N 0.705 121.114 120.400 0.014 0.000 2.144 291 D HA -0.108 4.532 4.640 0.000 0.000 0.200 291 D C 2.229 178.496 176.300 -0.054 0.000 0.978 291 D CA 1.391 55.377 54.000 -0.025 0.000 0.833 291 D CB -0.602 40.174 40.800 -0.040 0.000 0.961 291 D HN 0.381 nan 8.370 nan 0.000 0.470 292 G N 0.921 109.699 108.800 -0.037 0.000 2.440 292 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 292 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 292 G C 1.554 176.287 174.900 -0.277 0.000 1.154 292 G CA 0.653 45.551 45.100 -0.337 0.000 0.767 292 G HN 0.122 nan 8.290 nan 0.000 0.552 293 M N 1.061 120.738 119.600 0.128 0.000 2.117 293 M HA 0.034 4.514 4.480 0.000 0.000 0.262 293 M C 3.015 179.343 176.300 0.047 0.000 1.065 293 M CA 1.394 56.811 55.300 0.195 0.000 1.114 293 M CB -1.163 31.564 32.600 0.212 0.000 1.361 293 M HN 0.327 nan 8.290 nan 0.000 0.408 294 A N 0.021 122.840 122.820 -0.001 0.000 1.930 294 A HA -0.142 4.178 4.320 0.000 0.000 0.217 294 A C 2.028 179.584 177.584 -0.047 0.000 1.175 294 A CA 1.500 53.523 52.037 -0.025 0.000 0.627 294 A CB -0.664 18.315 19.000 -0.035 0.000 0.815 294 A HN 0.543 nan 8.150 nan 0.000 0.443 295 E N -0.662 119.484 120.200 -0.088 0.000 2.268 295 E HA -0.084 4.266 4.350 0.000 0.000 0.195 295 E C 1.617 178.156 176.600 -0.102 0.000 0.995 295 E CA 0.612 56.947 56.400 -0.109 0.000 0.836 295 E CB -0.024 29.580 29.700 -0.160 0.000 0.763 295 E HN 0.490 nan 8.360 nan 0.000 0.491 296 R N 0.465 120.911 120.500 -0.091 0.000 2.393 296 R HA 0.139 4.479 4.340 0.000 0.000 0.244 296 R C -0.148 176.163 176.300 0.018 0.000 0.920 296 R CA -0.093 55.984 56.100 -0.039 0.000 1.076 296 R CB 0.290 30.577 30.300 -0.022 0.000 1.119 296 R HN 0.061 nan 8.270 nan 0.000 0.524 297 N N 1.178 119.883 118.700 0.008 0.000 2.727 297 N HA -0.186 4.554 4.740 0.000 0.000 0.249 297 N C -0.997 174.544 175.510 0.052 0.000 1.048 297 N CA 0.897 53.960 53.050 0.022 0.000 0.714 297 N CB -1.105 37.391 38.487 0.016 0.000 0.959 297 N HN 0.296 nan 8.380 nan 0.000 0.544 298 L N 0.940 122.207 121.223 0.072 0.000 2.272 298 L HA 0.371 4.711 4.340 0.000 0.000 0.284 298 L C -1.895 175.011 176.870 0.059 0.000 1.045 298 L CA -1.555 53.347 54.840 0.103 0.000 0.842 298 L CB 0.895 43.058 42.059 0.173 0.000 1.224 298 L HN -0.220 nan 8.230 nan 0.000 0.430 299 P HA 0.156 nan 4.420 nan 0.000 0.269 299 P C -0.925 176.242 177.300 -0.220 0.000 1.209 299 P CA -0.175 62.896 63.100 -0.049 0.000 0.776 299 P CB 1.070 32.836 31.700 0.111 0.000 0.876 300 L N 3.222 124.100 121.223 -0.574 0.000 2.543 300 L HA 0.291 4.631 4.340 0.000 0.000 0.265 300 L C -0.451 176.017 176.870 -0.670 0.000 0.945 300 L CA -0.382 54.182 54.840 -0.460 0.000 0.869 300 L CB 1.817 43.805 42.059 -0.118 0.000 1.294 300 L HN 0.519 nan 8.230 nan 0.000 0.405 301 H N 2.883 121.984 119.070 0.051 0.000 2.926 301 H HA 0.347 4.903 4.556 0.000 0.000 0.249 301 H C -0.332 174.921 175.328 -0.125 0.000 0.963 301 H CA 0.018 56.070 56.048 0.006 0.000 1.158 301 H CB 1.262 31.085 29.762 0.103 0.000 1.445 301 H HN 0.242 nan 8.280 nan 0.000 0.452 302 V N 1.111 120.925 119.914 -0.166 0.000 2.638 302 V HA 0.241 4.361 4.120 0.000 0.000 0.306 302 V C -1.440 174.529 176.094 -0.209 0.000 1.052 302 V CA -0.927 61.117 62.300 -0.428 0.000 0.885 302 V CB 2.415 33.485 31.823 -1.255 0.000 0.999 302 V HN 0.098 nan 8.190 nan 0.000 0.424 303 F N 3.473 123.257 119.950 -0.276 0.000 2.458 303 F HA 0.689 5.216 4.527 0.000 0.000 0.336 303 F C -0.305 175.400 175.800 -0.158 0.000 1.114 303 F CA -0.472 57.415 58.000 -0.189 0.000 0.987 303 F CB 1.389 40.267 39.000 -0.205 0.000 1.130 303 F HN 0.705 nan 8.300 nan 0.000 0.458 304 H N 5.448 123.984 119.070 -0.891 0.000 2.481 304 H HA 0.421 4.977 4.556 0.000 0.000 0.333 304 H C -1.530 173.358 175.328 -0.734 0.000 1.066 304 H CA -0.662 55.051 56.048 -0.558 0.000 1.209 304 H CB 0.706 30.253 29.762 -0.358 0.000 1.445 304 H HN 0.485 nan 8.280 nan 0.000 0.488 305 F N 4.031 123.532 119.950 -0.747 0.000 2.421 305 F HA 0.151 4.678 4.527 0.000 0.000 0.358 305 F C 0.843 176.368 175.800 -0.458 0.000 1.115 305 F CA -0.275 57.453 58.000 -0.453 0.000 1.160 305 F CB 0.581 39.390 39.000 -0.318 0.000 1.123 305 F HN 0.647 nan 8.300 nan 0.000 0.508 306 D N 1.283 121.712 120.400 0.048 0.000 2.425 306 D HA 0.158 4.799 4.640 0.000 0.000 0.274 306 D C 1.074 177.551 176.300 0.295 0.000 1.242 306 D CA -0.394 53.764 54.000 0.265 0.000 1.060 306 D CB 0.787 41.837 40.800 0.416 0.000 1.112 306 D HN 0.570 nan 8.370 nan 0.000 0.561 307 C N -0.384 118.736 119.300 -0.299 0.000 2.403 307 C HA -0.143 4.317 4.460 0.000 0.000 0.277 307 C C 2.327 176.753 174.990 -0.940 0.000 1.248 307 C CA 0.311 58.509 59.018 -1.367 0.000 1.762 307 C CB -1.241 25.103 27.740 -2.325 0.000 2.014 307 C HN 0.485 nan 8.230 nan 0.000 0.486 308 F N 1.410 121.314 119.950 -0.077 0.000 2.805 308 F HA -0.016 4.511 4.527 0.000 0.000 0.301 308 F C 2.100 178.077 175.800 0.296 0.000 1.196 308 F CA 0.255 58.289 58.000 0.057 0.000 1.439 308 F CB -0.725 38.123 39.000 -0.253 0.000 1.117 308 F HN 0.592 nan 8.300 nan 0.000 0.581 309 W N -0.401 121.115 121.300 0.360 0.000 2.465 309 W HA 0.033 4.693 4.660 0.000 0.000 0.268 309 W C 0.123 176.712 176.519 0.118 0.000 1.242 309 W CA 0.278 57.783 57.345 0.267 0.000 1.248 309 W CB -0.647 28.665 29.460 -0.246 0.000 1.118 309 W HN -0.042 nan 8.180 nan 0.000 0.587 310 M N 1.576 120.895 119.600 -0.469 0.000 2.471 310 M HA 0.271 4.751 4.480 0.000 0.000 0.309 310 M C 0.305 176.659 176.300 0.089 0.000 1.186 310 M CA -0.551 54.548 55.300 -0.334 0.000 1.008 310 M CB 1.688 33.935 32.600 -0.588 0.000 1.551 310 M HN -0.355 nan 8.290 nan 0.000 0.477 311 K N 1.258 121.704 120.400 0.078 0.000 2.401 311 K HA 0.316 4.636 4.320 0.000 0.000 0.278 311 K C -0.182 176.302 176.600 -0.193 0.000 1.018 311 K CA -0.393 55.913 56.287 0.032 0.000 0.981 311 K CB 0.508 33.024 32.500 0.027 0.000 0.933 311 K HN 0.743 nan 8.250 nan 0.000 0.477 312 A N 2.811 125.417 122.820 -0.358 0.000 2.565 312 A HA 0.077 4.397 4.320 0.000 0.000 0.237 312 A C 0.073 177.095 177.584 -0.938 0.000 1.053 312 A CA 0.198 51.646 52.037 -0.982 0.000 0.755 312 A CB -0.676 17.762 19.000 -0.937 0.000 0.980 312 A HN 0.787 nan 8.150 nan 0.000 0.506 313 F N -1.221 118.141 119.950 -0.980 0.000 2.656 313 F HA -0.250 4.277 4.527 0.000 0.000 0.381 313 F C 1.333 176.856 175.800 -0.461 0.000 0.603 313 F CA 1.646 59.249 58.000 -0.660 0.000 1.335 313 F CB -1.841 36.913 39.000 -0.409 0.000 1.836 313 F HN 0.725 nan 8.300 nan 0.000 0.290 314 Q N -1.176 118.433 119.800 -0.318 0.000 2.219 314 Q HA 0.052 4.392 4.340 0.000 0.000 0.209 314 Q C 0.323 176.359 176.000 0.060 0.000 0.854 314 Q CA -0.238 55.520 55.803 -0.074 0.000 0.960 314 Q CB 0.390 29.120 28.738 -0.013 0.000 1.116 314 Q HN 0.315 nan 8.270 nan 0.000 0.500 315 W N 0.464 121.722 121.300 -0.070 0.000 2.089 315 W HA 0.027 4.687 4.660 0.000 0.000 0.355 315 W C 0.840 177.467 176.519 0.180 0.000 1.305 315 W CA -2.115 55.234 57.345 0.005 0.000 1.281 315 W CB -0.046 29.422 29.460 0.013 0.000 1.183 315 W HN 0.007 nan 8.180 nan 0.000 0.604 316 C N 4.011 123.600 119.300 0.482 0.000 0.919 316 C HA -0.231 4.229 4.460 0.000 0.000 0.533 316 C C 1.432 176.399 174.990 -0.037 0.000 1.224 316 C CA 0.980 60.053 59.018 0.092 0.000 1.960 316 C CB -2.359 25.335 27.740 -0.077 0.000 3.473 316 C HN 0.551 nan 8.230 nan 0.000 0.570 317 D N 0.984 121.367 120.400 -0.029 0.000 2.398 317 D HA 0.036 4.676 4.640 0.000 0.000 0.210 317 D C 0.843 177.325 176.300 0.304 0.000 1.094 317 D CA -0.342 53.796 54.000 0.231 0.000 0.839 317 D CB -0.452 40.518 40.800 0.284 0.000 0.963 317 D HN 0.528 nan 8.370 nan 0.000 0.506 318 F N 0.048 120.029 119.950 0.053 0.000 3.006 318 F HA -0.219 4.308 4.527 0.000 0.000 0.289 318 F C -0.088 175.775 175.800 0.105 0.000 0.772 318 F CA 0.566 58.599 58.000 0.055 0.000 1.162 318 F CB -2.019 37.034 39.000 0.089 0.000 1.382 318 F HN -0.003 nan 8.300 nan 0.000 0.406 319 E N 0.214 120.507 120.200 0.155 0.000 2.174 319 E HA 0.174 4.524 4.350 0.000 0.000 0.282 319 E C -0.277 176.451 176.600 0.213 0.000 0.992 319 E CA -0.688 55.864 56.400 0.254 0.000 0.803 319 E CB 0.622 30.459 29.700 0.229 0.000 1.090 319 E HN 0.209 nan 8.360 nan 0.000 0.396 320 W N 1.764 123.307 121.300 0.405 0.000 2.210 320 W HA -0.020 4.641 4.660 0.000 0.000 0.330 320 W C 0.972 177.688 176.519 0.329 0.000 1.334 320 W CA 0.024 57.654 57.345 0.475 0.000 1.227 320 W CB 0.295 29.998 29.460 0.405 0.000 1.178 320 W HN 0.329 nan 8.180 nan 0.000 0.560 321 D N 5.516 126.260 120.400 0.574 0.000 2.389 321 D HA -0.032 4.608 4.640 0.000 0.000 0.263 321 D C -1.002 175.533 176.300 0.392 0.000 1.255 321 D CA -1.465 52.779 54.000 0.405 0.000 0.914 321 D CB 1.055 42.078 40.800 0.371 0.000 1.116 321 D HN 0.095 nan 8.370 nan 0.000 0.502 322 P HA -0.094 nan 4.420 nan 0.000 0.223 322 P C 1.728 179.109 177.300 0.136 0.000 1.151 322 P CA 0.544 63.770 63.100 0.210 0.000 0.787 322 P CB 0.391 32.185 31.700 0.158 0.000 0.788 323 L N -1.156 120.131 121.223 0.106 0.000 2.109 323 L HA -0.047 4.293 4.340 0.000 0.000 0.207 323 L C 2.515 179.378 176.870 -0.013 0.000 1.086 323 L CA 1.568 56.433 54.840 0.041 0.000 0.760 323 L CB -1.002 41.073 42.059 0.028 0.000 0.910 323 L HN 0.031 nan 8.230 nan 0.000 0.437 324 T N -1.679 112.856 114.554 -0.032 0.000 3.000 324 T HA 0.170 4.520 4.350 0.000 0.000 0.248 324 T C -0.097 174.267 174.700 -0.561 0.000 1.034 324 T CA 0.114 62.053 62.100 -0.268 0.000 1.060 324 T CB 0.236 68.962 68.868 -0.236 0.000 0.983 324 T HN -0.022 nan 8.240 nan 0.000 0.482 325 F N 1.337 121.423 119.950 0.226 0.000 2.710 325 F HA 0.413 4.940 4.527 0.000 0.000 0.345 325 F C -2.262 173.589 175.800 0.084 0.000 1.362 325 F CA -2.491 55.620 58.000 0.186 0.000 1.175 325 F CB 1.560 40.787 39.000 0.378 0.000 1.561 325 F HN -0.057 nan 8.300 nan 0.000 0.593 326 P HA -0.115 nan 4.420 nan 0.000 0.220 326 P C 0.138 177.449 177.300 0.019 0.000 1.148 326 P CA 1.411 64.556 63.100 0.075 0.000 0.803 326 P CB 0.365 32.087 31.700 0.037 0.000 0.782 327 D N -2.306 118.080 120.400 -0.022 0.000 2.468 327 D HA 0.171 4.811 4.640 0.000 0.000 0.272 327 D C -2.067 174.089 176.300 -0.240 0.000 1.221 327 D CA -2.250 51.685 54.000 -0.108 0.000 0.860 327 D CB 0.397 41.153 40.800 -0.072 0.000 1.190 327 D HN -0.161 nan 8.370 nan 0.000 0.509 328 P HA -0.155 nan 4.420 nan 0.000 0.214 328 P C 1.212 178.141 177.300 -0.617 0.000 1.163 328 P CA 1.056 63.588 63.100 -0.947 0.000 0.889 328 P CB 0.406 31.142 31.700 -1.606 0.000 0.790 329 E N -0.643 119.307 120.200 -0.416 0.000 2.077 329 E HA -0.132 4.218 4.350 0.000 0.000 0.193 329 E C 2.194 178.666 176.600 -0.213 0.000 0.989 329 E CA 1.486 57.717 56.400 -0.281 0.000 0.800 329 E CB -1.003 28.581 29.700 -0.193 0.000 0.746 329 E HN 0.124 nan 8.360 nan 0.000 0.452 330 G N 1.308 110.001 108.800 -0.179 0.000 2.459 330 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 1.584 176.406 174.900 -0.129 0.000 1.183 330 G CA 1.022 46.044 45.100 -0.129 0.000 0.776 330 G HN 0.343 nan 8.290 nan 0.000 0.552 331 M N 0.672 120.183 119.600 -0.148 0.000 2.073 331 M HA -0.145 4.335 4.480 0.000 0.000 0.258 331 M C 2.530 178.756 176.300 -0.123 0.000 1.070 331 M CA 2.415 57.648 55.300 -0.111 0.000 1.103 331 M CB -0.283 32.258 32.600 -0.099 0.000 1.321 331 M HN 0.344 nan 8.290 nan 0.000 0.405 332 I N -1.052 119.397 120.570 -0.202 0.000 2.315 332 I HA -0.167 4.003 4.170 0.000 0.000 0.248 332 I C 2.293 178.331 176.117 -0.132 0.000 1.117 332 I CA 1.460 62.662 61.300 -0.162 0.000 1.404 332 I CB -0.779 37.085 38.000 -0.227 0.000 1.071 332 I HN 0.244 nan 8.210 nan 0.000 0.419 333 R N 0.710 121.127 120.500 -0.138 0.000 2.094 333 R HA -0.204 4.136 4.340 0.000 0.000 0.239 333 R C 2.561 178.801 176.300 -0.099 0.000 1.137 333 R CA 2.147 58.177 56.100 -0.116 0.000 0.943 333 R CB -0.405 29.830 30.300 -0.108 0.000 0.850 333 R HN 0.396 nan 8.270 nan 0.000 0.433 334 R N 0.363 120.809 120.500 -0.091 0.000 2.143 334 R HA -0.190 4.150 4.340 0.000 0.000 0.239 334 R C 2.381 178.632 176.300 -0.083 0.000 1.126 334 R CA 2.042 58.095 56.100 -0.079 0.000 0.927 334 R CB -0.571 29.686 30.300 -0.070 0.000 0.860 334 R HN 0.210 nan 8.270 nan 0.000 0.433 335 L N -0.013 121.160 121.223 -0.084 0.000 2.083 335 L HA -0.180 4.160 4.340 0.000 0.000 0.209 335 L C 2.401 179.211 176.870 -0.100 0.000 1.083 335 L CA 1.202 55.987 54.840 -0.091 0.000 0.752 335 L CB -0.337 41.678 42.059 -0.074 0.000 0.899 335 L HN 0.105 nan 8.230 nan 0.000 0.433 336 K N 0.371 120.706 120.400 -0.108 0.000 2.148 336 K HA -0.072 4.248 4.320 0.000 0.000 0.204 336 K C 2.119 178.651 176.600 -0.114 0.000 1.050 336 K CA 1.162 57.373 56.287 -0.128 0.000 0.942 336 K CB -0.239 32.179 32.500 -0.137 0.000 0.724 336 K HN 0.254 nan 8.250 nan 0.000 0.446 337 A N 0.974 123.736 122.820 -0.097 0.000 1.902 337 A HA -0.195 4.125 4.320 0.000 0.000 0.217 337 A C 1.525 179.061 177.584 -0.079 0.000 1.181 337 A CA 1.732 53.719 52.037 -0.084 0.000 0.623 337 A CB -0.382 18.574 19.000 -0.074 0.000 0.818 337 A HN 0.314 nan 8.150 nan 0.000 0.443 338 K N -0.802 119.550 120.400 -0.080 0.000 2.589 338 K HA 0.250 4.570 4.320 0.000 0.000 0.192 338 K C 1.026 177.581 176.600 -0.075 0.000 1.029 338 K CA 0.473 56.717 56.287 -0.073 0.000 1.031 338 K CB -0.302 32.153 32.500 -0.074 0.000 0.821 338 K HN 0.690 nan 8.250 nan 0.000 0.502 339 G N 1.215 109.962 108.800 -0.090 0.000 2.162 339 G HA2 -0.287 3.673 3.960 0.000 0.000 0.260 339 G HA3 -0.287 3.673 3.960 0.000 0.000 0.260 339 G C 0.074 174.906 174.900 -0.114 0.000 0.976 339 G CA -0.229 44.813 45.100 -0.097 0.000 0.655 339 G HN 0.220 nan 8.290 nan 0.000 0.533 340 L N 0.348 121.497 121.223 -0.123 0.000 2.461 340 L HA 0.319 4.659 4.340 0.000 0.000 0.272 340 L C 0.873 177.601 176.870 -0.237 0.000 1.197 340 L CA -0.106 54.648 54.840 -0.143 0.000 0.836 340 L CB 0.476 42.469 42.059 -0.110 0.000 1.105 340 L HN -0.017 nan 8.230 nan 0.000 0.477 341 K N 3.272 123.475 120.400 -0.329 0.000 2.095 341 K HA 0.599 4.919 4.320 0.000 0.000 0.252 341 K C -0.682 175.703 176.600 -0.357 0.000 0.977 341 K CA -0.563 55.412 56.287 -0.520 0.000 0.900 341 K CB 2.077 33.971 32.500 -1.010 0.000 1.060 341 K HN 0.400 nan 8.250 nan 0.000 0.449 342 I N 0.867 121.238 120.570 -0.330 0.000 2.466 342 I HA 0.188 4.358 4.170 0.000 0.000 0.289 342 I C -0.623 175.376 176.117 -0.198 0.000 1.026 342 I CA -0.716 60.487 61.300 -0.162 0.000 1.078 342 I CB 1.875 39.836 38.000 -0.065 0.000 1.249 342 I HN 0.487 nan 8.210 nan 0.000 0.429 343 C N 7.479 126.710 119.300 -0.116 0.000 2.493 343 C HA 0.869 5.329 4.460 0.000 0.000 0.326 343 C C -0.287 174.685 174.990 -0.029 0.000 1.200 343 C CA -0.294 58.688 59.018 -0.060 0.000 1.739 343 C CB 1.026 28.832 27.740 0.110 0.000 2.300 343 C HN 0.621 nan 8.230 nan 0.000 0.500 344 V N 2.869 122.750 119.914 -0.055 0.000 3.001 344 V HA 0.692 4.812 4.120 0.000 0.000 0.314 344 V C -0.809 175.453 176.094 0.280 0.000 1.099 344 V CA -0.917 61.322 62.300 -0.101 0.000 0.989 344 V CB 1.526 33.055 31.823 -0.490 0.000 1.040 344 V HN 1.087 nan 8.190 nan 0.000 0.434 345 W N 5.321 126.716 121.300 0.158 0.000 2.266 345 W HA 0.684 5.344 4.660 0.000 0.000 0.317 345 W C -0.207 176.546 176.519 0.390 0.000 1.310 345 W CA -0.124 57.422 57.345 0.335 0.000 1.207 345 W CB 0.746 30.348 29.460 0.237 0.000 1.199 345 W HN 0.864 nan 8.180 nan 0.000 0.544 346 I N 3.983 124.281 120.570 -0.454 0.000 3.074 346 I HA 0.641 4.811 4.170 0.000 0.000 0.310 346 I C -1.006 174.419 176.117 -1.155 0.000 1.153 346 I CA -1.179 59.742 61.300 -0.632 0.000 0.993 346 I CB 2.292 40.204 38.000 -0.148 0.000 1.237 346 I HN 0.703 nan 8.210 nan 0.000 0.443 347 N N 1.996 120.243 118.700 -0.755 0.000 2.934 347 N HA 0.559 5.299 4.740 0.000 0.000 0.253 347 N C -2.795 172.584 175.510 -0.219 0.000 1.466 347 N CA -1.508 51.264 53.050 -0.463 0.000 0.858 347 N CB 2.591 40.740 38.487 -0.564 0.000 1.459 347 N HN 0.385 nan 8.380 nan 0.000 0.532 348 P HA 0.268 nan 4.420 nan 0.000 0.266 348 P C -1.266 176.173 177.300 0.233 0.000 1.561 348 P CA 0.207 63.129 63.100 -0.298 0.000 1.089 348 P CB -0.246 31.013 31.700 -0.735 0.000 1.534 349 Y N 0.059 120.537 120.300 0.297 0.000 2.630 349 Y HA 0.643 5.193 4.550 0.000 0.000 0.337 349 Y C 0.322 176.416 175.900 0.322 0.000 1.051 349 Y CA -2.567 55.687 58.100 0.257 0.000 1.121 349 Y CB 1.357 39.979 38.460 0.269 0.000 1.299 349 Y HN -0.255 nan 8.280 nan 0.000 0.498 350 I N 0.462 121.251 120.570 0.365 0.000 2.644 350 I HA 0.670 4.840 4.170 0.000 0.000 0.291 350 I C -0.253 176.058 176.117 0.323 0.000 1.180 350 I CA -0.494 60.996 61.300 0.316 0.000 1.040 350 I CB 1.709 39.800 38.000 0.152 0.000 1.255 350 I HN 0.727 nan 8.210 nan 0.000 0.422 351 G N 4.632 113.575 108.800 0.238 0.000 2.432 351 G HA2 0.125 4.085 3.960 0.000 0.000 0.257 351 G HA3 0.125 4.085 3.960 0.000 0.000 0.257 351 G C 0.304 175.153 174.900 -0.085 0.000 1.238 351 G CA -0.230 44.913 45.100 0.071 0.000 0.838 351 G HN 0.852 nan 8.290 nan 0.000 0.547 352 Q N 1.596 121.139 119.800 -0.428 0.000 2.170 352 Q HA -0.158 4.182 4.340 0.000 0.000 0.203 352 Q C 2.203 177.892 176.000 -0.519 0.000 0.976 352 Q CA 1.607 56.768 55.803 -1.071 0.000 0.858 352 Q CB -0.074 28.062 28.738 -1.003 0.000 0.907 352 Q HN 0.708 nan 8.270 nan 0.000 0.433 353 K N 0.471 120.711 120.400 -0.266 0.000 2.211 353 K HA -0.086 4.234 4.320 0.000 0.000 0.204 353 K C 0.578 177.157 176.600 -0.034 0.000 1.047 353 K CA 0.773 56.981 56.287 -0.133 0.000 0.935 353 K CB -0.139 32.314 32.500 -0.078 0.000 0.728 353 K HN 0.073 nan 8.250 nan 0.000 0.452 354 S N 0.947 116.659 115.700 0.020 0.000 2.537 354 S HA 0.073 4.543 4.470 0.000 0.000 0.286 354 S C -1.818 172.874 174.600 0.154 0.000 1.299 354 S CA -1.379 56.891 58.200 0.116 0.000 1.067 354 S CB 0.922 64.237 63.200 0.192 0.000 0.864 354 S HN 0.068 nan 8.310 nan 0.000 0.494 355 P HA -0.124 nan 4.420 nan 0.000 0.217 355 P C 1.307 178.726 177.300 0.197 0.000 1.148 355 P CA 0.775 63.967 63.100 0.154 0.000 0.834 355 P CB 0.094 31.884 31.700 0.151 0.000 0.783 356 V N -1.943 118.123 119.914 0.253 0.000 2.871 356 V HA -0.164 3.956 4.120 0.000 0.000 0.256 356 V C 1.966 178.172 176.094 0.188 0.000 1.082 356 V CA 0.982 63.456 62.300 0.290 0.000 1.105 356 V CB -1.112 30.985 31.823 0.456 0.000 0.713 356 V HN 0.028 nan 8.190 nan 0.000 0.473 357 F N 1.493 121.471 119.950 0.047 0.000 2.095 357 F HA -0.241 4.286 4.527 0.000 0.000 0.298 357 F C 2.442 178.209 175.800 -0.056 0.000 1.104 357 F CA 2.433 60.417 58.000 -0.027 0.000 1.232 357 F CB -0.192 38.797 39.000 -0.019 0.000 0.987 357 F HN 0.009 nan 8.300 nan 0.000 0.475 358 K N 0.425 120.962 120.400 0.228 0.000 2.032 358 K HA -0.289 4.031 4.320 0.000 0.000 0.209 358 K C 2.265 178.839 176.600 -0.043 0.000 1.048 358 K CA 1.892 58.240 56.287 0.102 0.000 0.927 358 K CB -0.469 32.102 32.500 0.118 0.000 0.712 358 K HN 0.502 nan 8.250 nan 0.000 0.441 359 E N 0.664 120.850 120.200 -0.023 0.000 2.070 359 E HA -0.243 4.107 4.350 0.000 0.000 0.197 359 E C 2.066 178.514 176.600 -0.253 0.000 1.004 359 E CA 1.514 57.866 56.400 -0.079 0.000 0.805 359 E CB -0.136 29.585 29.700 0.034 0.000 0.744 359 E HN 0.353 nan 8.360 nan 0.000 0.451 360 L N 0.459 121.478 121.223 -0.340 0.000 2.046 360 L HA -0.205 4.135 4.340 0.000 0.000 0.208 360 L C 2.976 179.568 176.870 -0.464 0.000 1.077 360 L CA 1.591 56.136 54.840 -0.493 0.000 0.747 360 L CB -0.489 41.241 42.059 -0.548 0.000 0.896 360 L HN 0.304 nan 8.230 nan 0.000 0.432 361 Q N 0.309 119.837 119.800 -0.453 0.000 2.061 361 Q HA -0.262 4.078 4.340 0.000 0.000 0.204 361 Q C 2.068 177.925 176.000 -0.237 0.000 0.984 361 Q CA 1.906 57.500 55.803 -0.348 0.000 0.846 361 Q CB 0.036 28.606 28.738 -0.280 0.000 0.902 361 Q HN 0.500 nan 8.270 nan 0.000 0.421 362 E N -0.004 120.069 120.200 -0.212 0.000 2.077 362 E HA -0.164 4.186 4.350 0.000 0.000 0.193 362 E C 1.840 178.309 176.600 -0.218 0.000 0.989 362 E CA 1.057 57.358 56.400 -0.164 0.000 0.800 362 E CB 0.107 29.735 29.700 -0.119 0.000 0.746 362 E HN 0.276 nan 8.360 nan 0.000 0.452 363 K N -0.648 119.524 120.400 -0.380 0.000 2.432 363 K HA 0.027 4.347 4.320 0.000 0.000 0.196 363 K C 0.941 177.257 176.600 -0.473 0.000 1.038 363 K CA 0.525 56.471 56.287 -0.568 0.000 0.986 363 K CB 0.481 32.288 32.500 -1.155 0.000 0.782 363 K HN 0.234 nan 8.250 nan 0.000 0.485 364 G N 1.113 109.724 108.800 -0.315 0.000 2.160 364 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 364 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 364 G C 0.159 175.090 174.900 0.051 0.000 1.022 364 G CA -0.078 44.965 45.100 -0.095 0.000 0.741 364 G HN 0.240 nan 8.290 nan 0.000 0.508 365 Y N -0.472 119.740 120.300 -0.147 0.000 2.490 365 Y HA 0.408 4.958 4.550 0.000 0.000 0.281 365 Y C 1.784 177.581 175.900 -0.173 0.000 1.174 365 Y CA -0.434 57.577 58.100 -0.148 0.000 1.295 365 Y CB 0.043 38.375 38.460 -0.213 0.000 1.062 365 Y HN 0.349 nan 8.280 nan 0.000 0.522 366 L N 0.186 121.356 121.223 -0.089 0.000 2.334 366 L HA 0.310 4.650 4.340 0.000 0.000 0.275 366 L C -0.244 176.550 176.870 -0.126 0.000 1.036 366 L CA -1.305 53.427 54.840 -0.181 0.000 0.807 366 L CB 1.182 43.053 42.059 -0.314 0.000 1.231 366 L HN -0.180 nan 8.230 nan 0.000 0.438 367 L N 3.135 124.251 121.223 -0.179 0.000 2.584 367 L HA 0.030 4.370 4.340 0.000 0.000 0.272 367 L C -0.082 176.680 176.870 -0.179 0.000 1.195 367 L CA 0.819 55.489 54.840 -0.285 0.000 0.920 367 L CB -0.254 41.480 42.059 -0.542 0.000 1.173 367 L HN 0.467 nan 8.230 nan 0.000 0.489 368 K N 5.278 125.579 120.400 -0.166 0.000 2.098 368 K HA 0.487 4.807 4.320 0.000 0.000 0.258 368 K C -0.103 176.445 176.600 -0.087 0.000 0.973 368 K CA -0.822 55.415 56.287 -0.083 0.000 0.898 368 K CB 1.178 33.646 32.500 -0.054 0.000 1.057 368 K HN 0.559 nan 8.250 nan 0.000 0.447 369 R N 1.341 121.837 120.500 -0.008 0.000 2.707 369 R HA 0.028 4.368 4.340 0.000 0.000 0.270 369 R C -1.719 174.569 176.300 -0.020 0.000 1.083 369 R CA -1.489 54.614 56.100 0.005 0.000 1.182 369 R CB -0.181 30.142 30.300 0.037 0.000 1.084 369 R HN 0.374 nan 8.270 nan 0.000 0.528 370 P HA -0.194 nan 4.420 nan 0.000 0.217 370 P C 0.354 177.650 177.300 -0.007 0.000 1.148 370 P CA 1.383 64.478 63.100 -0.009 0.000 0.828 370 P CB 0.041 31.744 31.700 0.004 0.000 0.783 371 D N -1.929 118.469 120.400 -0.004 0.000 2.363 371 D HA 0.041 4.681 4.640 0.000 0.000 0.226 371 D C 1.479 177.774 176.300 -0.009 0.000 1.020 371 D CA 0.820 54.817 54.000 -0.005 0.000 0.892 371 D CB -0.890 39.908 40.800 -0.004 0.000 0.900 371 D HN 0.255 nan 8.370 nan 0.000 0.531 372 G N 0.011 108.804 108.800 -0.013 0.000 2.213 372 G HA2 -0.282 3.678 3.960 0.000 0.000 0.236 372 G HA3 -0.282 3.678 3.960 0.000 0.000 0.236 372 G C 0.439 175.328 174.900 -0.017 0.000 0.991 372 G CA 0.388 45.479 45.100 -0.015 0.000 0.629 372 G HN 0.842 nan 8.290 nan 0.000 0.517 373 S N 0.541 116.231 115.700 -0.015 0.000 2.614 373 S HA 0.694 5.164 4.470 0.000 0.000 0.265 373 S C 0.625 175.215 174.600 -0.016 0.000 1.303 373 S CA -0.752 57.438 58.200 -0.018 0.000 1.000 373 S CB 1.275 64.463 63.200 -0.020 0.000 0.935 373 S HN 0.694 nan 8.310 nan 0.000 0.551 374 L N 1.283 122.495 121.223 -0.017 0.000 2.453 374 L HA 0.180 4.520 4.340 0.000 0.000 0.272 374 L C 0.179 177.054 176.870 0.009 0.000 1.182 374 L CA -0.497 54.340 54.840 -0.005 0.000 0.858 374 L CB 0.154 42.215 42.059 0.003 0.000 1.120 374 L HN 0.832 nan 8.230 nan 0.000 0.474 375 W N 4.828 126.042 121.300 -0.144 0.000 2.303 375 W HA 0.235 4.895 4.660 0.000 0.000 0.318 375 W C -0.287 176.146 176.519 -0.143 0.000 1.362 375 W CA 0.068 57.310 57.345 -0.170 0.000 1.234 375 W CB 0.421 29.722 29.460 -0.265 0.000 1.248 375 W HN 0.460 nan 8.180 nan 0.000 0.546 376 Q N 5.574 124.832 119.800 -0.903 0.000 2.377 376 Q HA 0.363 4.703 4.340 0.000 0.000 0.279 376 Q C -1.028 174.445 176.000 -0.879 0.000 1.049 376 Q CA -0.898 54.510 55.803 -0.658 0.000 0.825 376 Q CB 2.437 31.043 28.738 -0.221 0.000 1.401 376 Q HN 0.558 nan 8.270 nan 0.000 0.404 377 W N 0.439 121.350 121.300 -0.648 0.000 3.018 377 W HA 0.529 5.189 4.660 0.000 0.000 0.382 377 W C -1.021 175.398 176.519 -0.168 0.000 1.161 377 W CA -0.938 56.177 57.345 -0.383 0.000 1.144 377 W CB -0.056 29.208 29.460 -0.327 0.000 1.499 377 W HN 0.489 nan 8.180 nan 0.000 0.596 378 D N 0.375 120.787 120.400 0.021 0.000 2.402 378 D HA 0.117 4.757 4.640 0.000 0.000 0.216 378 D C -0.219 175.949 176.300 -0.220 0.000 1.128 378 D CA 0.116 54.059 54.000 -0.095 0.000 0.833 378 D CB 0.513 41.252 40.800 -0.102 0.000 0.971 378 D HN 0.145 nan 8.370 nan 0.000 0.503 379 K N 0.339 120.368 120.400 -0.617 0.000 2.298 379 K HA 0.026 4.346 4.320 0.000 0.000 0.280 379 K C 0.669 177.296 176.600 0.046 0.000 1.032 379 K CA -0.389 55.594 56.287 -0.507 0.000 0.958 379 K CB 1.643 33.455 32.500 -1.146 0.000 0.978 379 K HN 0.122 nan 8.250 nan 0.000 0.472 380 W N 0.419 121.728 121.300 0.015 0.000 0.649 380 W HA -0.361 4.299 4.660 0.000 0.000 0.221 380 W C -0.740 175.856 176.519 0.128 0.000 1.002 380 W CA 1.576 59.024 57.345 0.172 0.000 0.879 380 W CB -0.522 29.089 29.460 0.253 0.000 1.806 380 W HN 0.544 nan 8.180 nan 0.000 0.496 381 Q N 0.705 120.557 119.800 0.088 0.000 2.387 381 Q HA 0.444 4.784 4.340 0.000 0.000 0.273 381 Q C -2.270 173.717 176.000 -0.021 0.000 1.089 381 Q CA -1.862 53.897 55.803 -0.074 0.000 0.824 381 Q CB 1.237 29.966 28.738 -0.014 0.000 1.367 381 Q HN -0.082 nan 8.270 nan 0.000 0.443 382 P HA 0.090 nan 4.420 nan 0.000 0.267 382 P C 0.349 177.561 177.300 -0.148 0.000 1.209 382 P CA 0.596 63.596 63.100 -0.166 0.000 0.763 382 P CB 0.259 31.763 31.700 -0.326 0.000 0.816 383 G N 2.837 111.572 108.800 -0.110 0.000 2.246 383 G HA2 -0.279 3.681 3.960 0.000 0.000 0.273 383 G HA3 -0.279 3.681 3.960 0.000 0.000 0.273 383 G C -0.079 174.803 174.900 -0.030 0.000 1.055 383 G CA -0.244 44.780 45.100 -0.126 0.000 0.851 383 G HN 0.616 nan 8.290 nan 0.000 0.500 384 L N 0.077 121.369 121.223 0.116 0.000 2.490 384 L HA 0.572 4.912 4.340 0.000 0.000 0.274 384 L C 0.682 177.703 176.870 0.251 0.000 1.201 384 L CA 0.409 55.394 54.840 0.241 0.000 0.869 384 L CB 0.639 42.929 42.059 0.385 0.000 1.123 384 L HN 0.644 nan 8.230 nan 0.000 0.484 385 A N 5.990 128.988 122.820 0.296 0.000 2.387 385 A HA 0.786 5.106 4.320 0.000 0.000 0.303 385 A C -0.902 176.737 177.584 0.091 0.000 1.145 385 A CA -0.749 51.413 52.037 0.209 0.000 0.801 385 A CB 1.171 20.248 19.000 0.129 0.000 1.342 385 A HN 0.690 nan 8.150 nan 0.000 0.440 386 I N 0.596 121.151 120.570 -0.024 0.000 2.433 386 I HA 0.273 4.443 4.170 0.000 0.000 0.292 386 I C -1.191 174.823 176.117 -0.172 0.000 1.001 386 I CA -0.471 60.793 61.300 -0.060 0.000 1.119 386 I CB 1.471 39.329 38.000 -0.235 0.000 1.289 386 I HN 0.616 nan 8.210 nan 0.000 0.438 387 Y N 3.697 123.890 120.300 -0.178 0.000 2.544 387 Y HA -0.029 4.521 4.550 0.000 0.000 0.330 387 Y C 0.828 176.455 175.900 -0.456 0.000 1.136 387 Y CA 0.115 57.974 58.100 -0.401 0.000 1.417 387 Y CB 0.141 38.161 38.460 -0.732 0.000 1.229 387 Y HN 0.433 nan 8.280 nan 0.000 0.532 388 D N 4.418 124.772 120.400 -0.076 0.000 2.435 388 D HA 0.032 4.672 4.640 0.000 0.000 0.230 388 D C 0.156 176.557 176.300 0.167 0.000 1.215 388 D CA 0.107 54.192 54.000 0.142 0.000 0.947 388 D CB -0.312 40.592 40.800 0.174 0.000 1.048 388 D HN 0.567 nan 8.370 nan 0.000 0.512 389 F N 0.885 121.013 119.950 0.298 0.000 2.771 389 F HA -0.087 4.440 4.527 0.000 0.000 0.299 389 F C 2.419 178.255 175.800 0.060 0.000 1.177 389 F CA 0.384 58.417 58.000 0.054 0.000 1.450 389 F CB 0.206 39.104 39.000 -0.170 0.000 1.114 389 F HN 0.313 nan 8.300 nan 0.000 0.587 390 T N -3.525 111.237 114.554 0.347 0.000 3.107 390 T HA -0.013 4.337 4.350 0.000 0.000 0.249 390 T C 0.619 175.453 174.700 0.224 0.000 1.096 390 T CA -0.198 62.069 62.100 0.279 0.000 1.012 390 T CB -0.292 68.785 68.868 0.348 0.000 0.977 390 T HN -0.009 nan 8.240 nan 0.000 0.527 391 N N 2.307 121.034 118.700 0.045 0.000 2.439 391 N HA 0.305 5.045 4.740 0.000 0.000 0.249 391 N C -2.221 173.106 175.510 -0.305 0.000 1.003 391 N CA -2.385 50.371 53.050 -0.489 0.000 0.942 391 N CB 1.998 40.173 38.487 -0.520 0.000 1.115 391 N HN -0.043 nan 8.380 nan 0.000 0.505 392 P HA -0.075 nan 4.420 nan 0.000 0.216 392 P C 0.435 177.639 177.300 -0.160 0.000 1.150 392 P CA 1.044 64.064 63.100 -0.133 0.000 0.837 392 P CB 0.455 32.114 31.700 -0.069 0.000 0.786 393 D N -0.637 119.620 120.400 -0.239 0.000 2.144 393 D HA -0.098 4.542 4.640 0.000 0.000 0.200 393 D C 2.004 177.901 176.300 -0.671 0.000 0.978 393 D CA 1.431 55.266 54.000 -0.275 0.000 0.833 393 D CB -0.709 40.062 40.800 -0.047 0.000 0.961 393 D HN 0.071 nan 8.370 nan 0.000 0.470 394 A N 0.546 122.894 122.820 -0.788 0.000 1.933 394 A HA -0.187 4.133 4.320 0.000 0.000 0.218 394 A C 2.548 180.106 177.584 -0.043 0.000 1.175 394 A CA 1.242 52.899 52.037 -0.633 0.000 0.628 394 A CB -0.926 17.930 19.000 -0.241 0.000 0.814 394 A HN 0.332 nan 8.150 nan 0.000 0.444 395 C N -0.827 118.485 119.300 0.020 0.000 2.432 395 C HA -0.066 4.394 4.460 0.000 0.000 0.277 395 C C 2.714 177.750 174.990 0.077 0.000 1.249 395 C CA 1.423 60.506 59.018 0.108 0.000 1.725 395 C CB -0.989 26.754 27.740 0.005 0.000 2.028 395 C HN 0.772 nan 8.230 nan 0.000 0.477 396 K N -0.553 119.853 120.400 0.009 0.000 2.057 396 K HA -0.228 4.092 4.320 0.000 0.000 0.207 396 K C 1.954 178.593 176.600 0.065 0.000 1.049 396 K CA 1.758 58.053 56.287 0.014 0.000 0.931 396 K CB -0.432 32.067 32.500 -0.001 0.000 0.714 396 K HN 0.630 nan 8.250 nan 0.000 0.440 397 W N 0.326 121.577 121.300 -0.082 0.000 2.321 397 W HA -0.293 4.367 4.660 0.000 0.000 0.306 397 W C 1.923 178.439 176.519 -0.005 0.000 1.217 397 W CA 2.061 59.405 57.345 -0.002 0.000 1.257 397 W CB -0.384 29.107 29.460 0.050 0.000 1.145 397 W HN 0.221 nan 8.180 nan 0.000 0.509 398 Y N 0.380 120.828 120.300 0.247 0.000 2.153 398 Y HA -0.131 4.419 4.550 0.000 0.000 0.289 398 Y C 2.434 178.179 175.900 -0.258 0.000 1.127 398 Y CA 2.657 60.787 58.100 0.050 0.000 1.131 398 Y CB -1.036 37.536 38.460 0.186 0.000 0.995 398 Y HN -0.039 nan 8.280 nan 0.000 0.505 399 A N 0.061 122.869 122.820 -0.019 0.000 1.948 399 A HA -0.233 4.087 4.320 0.000 0.000 0.220 399 A C 1.831 179.255 177.584 -0.266 0.000 1.177 399 A CA 2.219 54.162 52.037 -0.157 0.000 0.636 399 A CB -0.816 18.129 19.000 -0.092 0.000 0.815 399 A HN 0.541 nan 8.150 nan 0.000 0.449 400 D N -0.400 119.833 120.400 -0.278 0.000 2.149 400 D HA -0.074 4.566 4.640 0.000 0.000 0.201 400 D C 1.910 177.939 176.300 -0.453 0.000 0.972 400 D CA 0.868 54.682 54.000 -0.310 0.000 0.835 400 D CB -0.151 40.481 40.800 -0.279 0.000 0.966 400 D HN 0.205 nan 8.370 nan 0.000 0.476 401 K N 0.549 120.518 120.400 -0.718 0.000 2.063 401 K HA -0.059 4.261 4.320 0.000 0.000 0.208 401 K C 2.316 178.443 176.600 -0.788 0.000 1.048 401 K CA 0.469 56.184 56.287 -0.953 0.000 0.928 401 K CB -0.610 30.844 32.500 -1.744 0.000 0.713 401 K HN 0.267 nan 8.250 nan 0.000 0.442 402 L N 0.867 121.631 121.223 -0.765 0.000 2.056 402 L HA -0.159 4.181 4.340 0.000 0.000 0.207 402 L C 2.399 179.169 176.870 -0.168 0.000 1.078 402 L CA 1.241 55.792 54.840 -0.481 0.000 0.749 402 L CB -0.356 41.386 42.059 -0.527 0.000 0.901 402 L HN 0.151 nan 8.230 nan 0.000 0.433 403 K N 0.131 120.414 120.400 -0.196 0.000 2.063 403 K HA -0.156 4.164 4.320 0.000 0.000 0.208 403 K C 2.130 178.675 176.600 -0.093 0.000 1.048 403 K CA 1.398 57.617 56.287 -0.114 0.000 0.928 403 K CB -0.528 31.895 32.500 -0.130 0.000 0.713 403 K HN 0.423 nan 8.250 nan 0.000 0.442 404 G N 1.355 110.077 108.800 -0.129 0.000 2.422 404 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 404 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 404 G C 1.482 176.368 174.900 -0.023 0.000 1.146 404 G CA 0.546 45.597 45.100 -0.082 0.000 0.769 404 G HN 0.100 nan 8.290 nan 0.000 0.547 405 L N 0.138 121.367 121.223 0.010 0.000 2.056 405 L HA -0.062 4.278 4.340 0.000 0.000 0.207 405 L C 2.966 179.842 176.870 0.010 0.000 1.078 405 L CA 0.376 55.258 54.840 0.070 0.000 0.749 405 L CB -0.446 41.724 42.059 0.185 0.000 0.901 405 L HN 0.082 nan 8.230 nan 0.000 0.433 406 V N 0.088 120.012 119.914 0.018 0.000 2.307 406 V HA -0.273 3.847 4.120 0.000 0.000 0.245 406 V C 2.781 178.830 176.094 -0.074 0.000 1.045 406 V CA 1.721 63.990 62.300 -0.051 0.000 1.024 406 V CB -0.874 30.929 31.823 -0.032 0.000 0.651 406 V HN 0.477 nan 8.190 nan 0.000 0.449 407 A N 0.467 123.251 122.820 -0.061 0.000 1.986 407 A HA -0.266 4.054 4.320 0.000 0.000 0.220 407 A C 2.203 179.741 177.584 -0.077 0.000 1.171 407 A CA 2.427 54.423 52.037 -0.067 0.000 0.640 407 A CB -0.528 18.435 19.000 -0.060 0.000 0.811 407 A HN 0.664 nan 8.150 nan 0.000 0.451 408 M N -2.255 117.298 119.600 -0.078 0.000 2.494 408 M HA 0.378 4.858 4.480 0.000 0.000 0.232 408 M C 0.922 177.141 176.300 -0.135 0.000 1.137 408 M CA 1.230 56.467 55.300 -0.105 0.000 1.012 408 M CB 0.306 32.842 32.600 -0.106 0.000 1.567 408 M HN 0.720 nan 8.290 nan 0.000 0.486 409 G N 1.147 109.867 108.800 -0.133 0.000 2.175 409 G HA2 -0.132 3.828 3.960 0.000 0.000 0.182 409 G HA3 -0.132 3.828 3.960 0.000 0.000 0.182 409 G C -0.256 174.530 174.900 -0.190 0.000 1.003 409 G CA -0.117 44.888 45.100 -0.159 0.000 0.666 409 G HN 0.344 nan 8.290 nan 0.000 0.506 410 V N 1.417 121.214 119.914 -0.195 0.000 2.655 410 V HA 0.230 4.350 4.120 0.000 0.000 0.300 410 V C 1.082 176.975 176.094 -0.334 0.000 1.044 410 V CA 0.804 62.939 62.300 -0.275 0.000 1.095 410 V CB 1.368 33.004 31.823 -0.312 0.000 0.952 410 V HN 0.316 nan 8.190 nan 0.000 0.485 411 D N 1.911 122.093 120.400 -0.363 0.000 2.380 411 D HA 0.152 4.792 4.640 0.000 0.000 0.212 411 D C 0.405 176.532 176.300 -0.289 0.000 1.021 411 D CA 0.905 54.719 54.000 -0.310 0.000 0.884 411 D CB 0.870 41.437 40.800 -0.388 0.000 1.001 411 D HN 0.773 nan 8.370 nan 0.000 0.506 412 C N -1.447 117.579 119.300 -0.457 0.000 3.295 412 C HA 0.736 5.196 4.460 0.000 0.000 0.341 412 C C -1.561 173.044 174.990 -0.643 0.000 1.418 412 C CA -1.371 57.404 59.018 -0.404 0.000 1.240 412 C CB 0.666 28.457 27.740 0.085 0.000 1.562 412 C HN -0.023 nan 8.230 nan 0.000 0.457 413 F N 0.461 120.469 119.950 0.096 0.000 2.576 413 F HA 0.632 5.159 4.527 0.000 0.000 0.313 413 F C 0.109 175.954 175.800 0.075 0.000 1.078 413 F CA -0.699 57.347 58.000 0.075 0.000 0.921 413 F CB 1.734 40.749 39.000 0.024 0.000 1.232 413 F HN 0.749 nan 8.300 nan 0.000 0.459 414 K N 1.830 122.385 120.400 0.258 0.000 2.263 414 K HA 0.231 4.551 4.320 0.000 0.000 0.282 414 K C -0.453 176.106 176.600 -0.068 0.000 1.089 414 K CA -0.315 55.994 56.287 0.037 0.000 0.907 414 K CB 0.510 32.958 32.500 -0.086 0.000 1.148 414 K HN 0.760 nan 8.250 nan 0.000 0.470 415 T N 1.277 115.776 114.554 -0.091 0.000 3.185 415 T HA 0.089 4.439 4.350 0.000 0.000 0.287 415 T C -0.040 174.605 174.700 -0.091 0.000 1.051 415 T CA -0.839 61.169 62.100 -0.153 0.000 1.051 415 T CB 0.245 68.852 68.868 -0.435 0.000 1.034 415 T HN 0.406 nan 8.240 nan 0.000 0.685 416 D N 1.360 121.691 120.400 -0.115 0.000 2.388 416 D HA 0.531 5.171 4.640 0.000 0.000 0.254 416 D C 0.604 177.024 176.300 0.199 0.000 1.111 416 D CA -0.827 53.146 54.000 -0.046 0.000 0.993 416 D CB 0.338 41.121 40.800 -0.029 0.000 1.118 416 D HN 0.401 nan 8.370 nan 0.000 0.502 417 F N -0.369 119.546 119.950 -0.060 0.000 2.181 417 F HA -0.141 4.386 4.527 0.000 0.000 0.317 417 F C 1.729 177.590 175.800 0.102 0.000 0.129 417 F CA 1.352 59.330 58.000 -0.038 0.000 0.911 417 F CB -1.394 37.452 39.000 -0.258 0.000 4.128 417 F HN 0.583 nan 8.300 nan 0.000 0.142 418 G N -1.040 107.952 108.800 0.321 0.000 2.184 418 G HA2 -0.144 3.816 3.960 0.000 0.000 0.206 418 G HA3 -0.144 3.816 3.960 0.000 0.000 0.206 418 G C 0.625 175.722 174.900 0.329 0.000 0.995 418 G CA 0.588 45.919 45.100 0.387 0.000 0.651 418 G HN 1.069 nan 8.290 nan 0.000 0.511 419 E N 0.553 120.938 120.200 0.308 0.000 2.201 419 E HA 0.118 4.468 4.350 0.000 0.000 0.193 419 E C 1.378 178.002 176.600 0.039 0.000 0.957 419 E CA -0.106 56.378 56.400 0.140 0.000 0.858 419 E CB -0.130 29.710 29.700 0.233 0.000 0.816 419 E HN 0.407 nan 8.360 nan 0.000 0.475 420 R N 1.616 122.261 120.500 0.242 0.000 4.164 420 R HA 0.243 4.583 4.340 0.000 0.000 0.195 420 R C -0.344 175.926 176.300 -0.050 0.000 1.712 420 R CA -0.152 56.090 56.100 0.237 0.000 1.457 420 R CB -0.063 30.518 30.300 0.468 0.000 1.387 420 R HN 0.106 nan 8.270 nan 0.000 0.785 421 I N 3.870 124.333 120.570 -0.179 0.000 2.312 421 I HA 0.222 4.392 4.170 0.000 0.000 0.291 421 I C -1.695 174.333 176.117 -0.150 0.000 1.031 421 I CA -3.218 57.886 61.300 -0.326 0.000 1.293 421 I CB 0.792 38.565 38.000 -0.378 0.000 1.403 421 I HN 0.088 nan 8.210 nan 0.000 0.484 422 P HA 0.201 nan 4.420 nan 0.000 0.274 422 P C 0.489 177.701 177.300 -0.147 0.000 1.246 422 P CA -0.066 62.779 63.100 -0.425 0.000 0.795 422 P CB 0.923 31.939 31.700 -1.139 0.000 1.006 423 T N -4.205 110.358 114.554 0.014 0.000 2.990 423 T HA 0.030 4.380 4.350 0.000 0.000 0.250 423 T C 0.432 175.164 174.700 0.053 0.000 1.041 423 T CA -0.072 62.099 62.100 0.118 0.000 1.010 423 T CB -0.549 68.453 68.868 0.223 0.000 1.003 423 T HN 0.390 nan 8.240 nan 0.000 0.499 424 D N 1.982 122.395 120.400 0.020 0.000 2.713 424 D HA 0.440 5.080 4.640 0.000 0.000 0.229 424 D C -0.346 175.955 176.300 0.002 0.000 1.136 424 D CA -0.436 53.593 54.000 0.047 0.000 1.010 424 D CB 0.360 41.223 40.800 0.105 0.000 1.084 424 D HN 0.243 nan 8.370 nan 0.000 0.495 425 V N 0.226 120.097 119.914 -0.071 0.000 3.147 425 V HA 0.282 4.402 4.120 0.000 0.000 0.299 425 V C -1.551 174.427 176.094 -0.193 0.000 1.302 425 V CA -0.904 61.268 62.300 -0.212 0.000 1.015 425 V CB 2.734 34.269 31.823 -0.481 0.000 1.086 425 V HN 0.407 nan 8.190 nan 0.000 0.437 426 Q N 2.600 122.263 119.800 -0.228 0.000 2.327 426 Q HA 0.405 4.745 4.340 0.000 0.000 0.270 426 Q C -1.665 174.229 176.000 -0.175 0.000 1.022 426 Q CA -0.495 55.234 55.803 -0.123 0.000 0.773 426 Q CB 1.252 29.962 28.738 -0.046 0.000 1.251 426 Q HN 0.680 nan 8.270 nan 0.000 0.457 427 W N 3.293 124.618 121.300 0.043 0.000 2.202 427 W HA 0.134 4.794 4.660 0.000 0.000 0.332 427 W C 1.116 177.704 176.519 0.115 0.000 1.263 427 W CA -0.522 56.877 57.345 0.091 0.000 1.223 427 W CB 0.351 29.876 29.460 0.108 0.000 1.128 427 W HN 0.746 nan 8.180 nan 0.000 0.573 428 F N 2.712 122.830 119.950 0.279 0.000 2.063 428 F HA -0.403 4.124 4.527 0.000 0.000 0.298 428 F C 2.293 178.203 175.800 0.183 0.000 1.105 428 F CA 2.578 60.694 58.000 0.193 0.000 1.215 428 F CB -0.146 38.968 39.000 0.190 0.000 0.972 428 F HN 0.430 nan 8.300 nan 0.000 0.483 429 D N -0.825 119.817 120.400 0.402 0.000 2.363 429 D HA 0.063 4.703 4.640 0.000 0.000 0.226 429 D C 1.743 178.124 176.300 0.135 0.000 1.020 429 D CA 0.959 55.105 54.000 0.243 0.000 0.892 429 D CB -0.606 40.360 40.800 0.277 0.000 0.900 429 D HN 0.521 nan 8.370 nan 0.000 0.531 430 G N 0.284 109.184 108.800 0.167 0.000 2.143 430 G HA2 -0.293 3.667 3.960 0.000 0.000 0.249 430 G HA3 -0.293 3.667 3.960 0.000 0.000 0.249 430 G C 0.404 175.388 174.900 0.141 0.000 0.981 430 G CA 0.516 45.694 45.100 0.129 0.000 0.665 430 G HN 0.745 nan 8.290 nan 0.000 0.528 431 S N -0.413 115.377 115.700 0.149 0.000 2.596 431 S HA 0.436 4.906 4.470 0.000 0.000 0.260 431 S C 0.158 174.823 174.600 0.109 0.000 1.336 431 S CA 0.009 58.243 58.200 0.056 0.000 0.993 431 S CB 1.538 64.700 63.200 -0.064 0.000 0.923 431 S HN 0.392 nan 8.310 nan 0.000 0.567 432 D N 1.188 121.617 120.400 0.047 0.000 2.382 432 D HA 0.236 4.876 4.640 0.000 0.000 0.259 432 D C -1.613 174.776 176.300 0.150 0.000 1.224 432 D CA -2.107 51.952 54.000 0.099 0.000 0.894 432 D CB 0.912 41.748 40.800 0.060 0.000 1.127 432 D HN 0.122 nan 8.370 nan 0.000 0.487 433 P HA -0.155 nan 4.420 nan 0.000 0.218 433 P C 1.205 178.707 177.300 0.337 0.000 1.148 433 P CA 1.016 64.361 63.100 0.408 0.000 0.822 433 P CB 0.302 32.203 31.700 0.336 0.000 0.784 434 Q N -0.149 119.817 119.800 0.277 0.000 2.119 434 Q HA -0.103 4.237 4.340 0.000 0.000 0.201 434 Q C 1.863 178.064 176.000 0.336 0.000 0.972 434 Q CA 1.433 57.442 55.803 0.343 0.000 0.847 434 Q CB -0.443 28.434 28.738 0.230 0.000 0.903 434 Q HN 0.421 nan 8.270 nan 0.000 0.433 435 K N -0.471 120.039 120.400 0.183 0.000 2.243 435 K HA 0.098 4.418 4.320 0.000 0.000 0.201 435 K C 1.974 178.618 176.600 0.073 0.000 1.051 435 K CA 0.335 56.680 56.287 0.096 0.000 0.970 435 K CB 0.107 32.580 32.500 -0.044 0.000 0.755 435 K HN 0.086 nan 8.250 nan 0.000 0.465 436 M N 0.214 119.833 119.600 0.031 0.000 2.319 436 M HA -0.101 4.379 4.480 0.000 0.000 0.265 436 M C 1.948 178.277 176.300 0.049 0.000 1.068 436 M CA 1.497 56.746 55.300 -0.086 0.000 1.118 436 M CB -0.850 31.426 32.600 -0.540 0.000 1.395 436 M HN 0.237 nan 8.290 nan 0.000 0.435 437 H N 1.384 120.468 119.070 0.023 0.000 2.265 437 H HA -0.177 4.379 4.556 0.000 0.000 0.293 437 H C 1.772 177.022 175.328 -0.131 0.000 1.089 437 H CA 2.599 58.550 56.048 -0.161 0.000 1.244 437 H CB 0.145 29.525 29.762 -0.637 0.000 1.355 437 H HN 0.315 nan 8.280 nan 0.000 0.485 438 N N -0.836 117.868 118.700 0.006 0.000 2.171 438 N HA -0.139 4.601 4.740 0.000 0.000 0.184 438 N C 1.894 177.536 175.510 0.220 0.000 1.021 438 N CA 1.422 54.538 53.050 0.110 0.000 0.854 438 N CB -0.612 38.036 38.487 0.268 0.000 0.994 438 N HN 0.544 nan 8.380 nan 0.000 0.426 439 H N -0.467 118.678 119.070 0.125 0.000 2.524 439 H HA -0.019 4.537 4.556 0.000 0.000 0.282 439 H C 1.786 177.224 175.328 0.184 0.000 1.016 439 H CA 0.756 56.898 56.048 0.157 0.000 1.270 439 H CB -0.212 29.582 29.762 0.052 0.000 1.394 439 H HN 0.213 nan 8.280 nan 0.000 0.568 440 Y N 0.508 120.807 120.300 -0.002 0.000 2.139 440 Y HA -0.337 4.213 4.550 0.000 0.000 0.282 440 Y C 2.572 178.535 175.900 0.106 0.000 1.179 440 Y CA 2.013 60.110 58.100 -0.004 0.000 1.161 440 Y CB -0.740 37.720 38.460 0.001 0.000 0.970 440 Y HN 0.344 nan 8.280 nan 0.000 0.511 441 A N -0.654 122.330 122.820 0.274 0.000 1.908 441 A HA -0.291 4.029 4.320 0.000 0.000 0.218 441 A C 2.117 179.767 177.584 0.110 0.000 1.181 441 A CA 1.895 54.084 52.037 0.253 0.000 0.627 441 A CB -1.576 17.578 19.000 0.256 0.000 0.818 441 A HN 0.741 nan 8.150 nan 0.000 0.445 442 Y N 0.361 120.640 120.300 -0.036 0.000 2.089 442 Y HA -0.211 4.339 4.550 0.000 0.000 0.282 442 Y C 2.113 177.884 175.900 -0.215 0.000 1.139 442 Y CA 1.820 59.876 58.100 -0.073 0.000 1.123 442 Y CB -0.194 38.169 38.460 -0.163 0.000 0.980 442 Y HN 0.228 nan 8.280 nan 0.000 0.493 443 I N 0.184 120.582 120.570 -0.287 0.000 2.163 443 I HA -0.348 3.822 4.170 0.000 0.000 0.243 443 I C 2.435 178.241 176.117 -0.517 0.000 1.085 443 I CA 1.770 62.845 61.300 -0.375 0.000 1.347 443 I CB -1.727 36.107 38.000 -0.277 0.000 1.044 443 I HN 0.481 nan 8.210 nan 0.000 0.408 444 Y N 1.924 121.834 120.300 -0.651 0.000 2.145 444 Y HA -0.271 4.279 4.550 0.000 0.000 0.286 444 Y C 2.506 178.066 175.900 -0.566 0.000 1.145 444 Y CA 1.765 59.426 58.100 -0.731 0.000 1.148 444 Y CB -0.149 38.039 38.460 -0.454 0.000 0.981 444 Y HN 0.200 nan 8.280 nan 0.000 0.507 445 N N 0.565 118.867 118.700 -0.664 0.000 2.216 445 N HA -0.197 4.543 4.740 0.000 0.000 0.183 445 N C 1.791 176.767 175.510 -0.891 0.000 1.017 445 N CA 1.386 54.017 53.050 -0.698 0.000 0.861 445 N CB -0.293 37.968 38.487 -0.376 0.000 0.986 445 N HN 0.607 nan 8.380 nan 0.000 0.428 446 E N 1.386 120.902 120.200 -1.140 0.000 2.077 446 E HA -0.165 4.185 4.350 0.000 0.000 0.193 446 E C 2.191 178.353 176.600 -0.730 0.000 0.989 446 E CA 0.642 56.209 56.400 -1.388 0.000 0.800 446 E CB -0.057 29.006 29.700 -1.063 0.000 0.746 446 E HN 0.247 nan 8.360 nan 0.000 0.452 447 L N 0.441 121.310 121.223 -0.589 0.000 1.994 447 L HA -0.187 4.153 4.340 0.000 0.000 0.208 447 L C 2.400 179.082 176.870 -0.315 0.000 1.071 447 L CA 1.255 55.837 54.840 -0.431 0.000 0.745 447 L CB -0.221 41.495 42.059 -0.573 0.000 0.892 447 L HN 0.064 nan 8.230 nan 0.000 0.431 448 V N -0.605 119.115 119.914 -0.322 0.000 2.287 448 V HA -0.345 3.775 4.120 0.000 0.000 0.248 448 V C 2.174 178.198 176.094 -0.116 0.000 1.053 448 V CA 2.348 64.528 62.300 -0.201 0.000 1.027 448 V CB -1.051 30.649 31.823 -0.205 0.000 0.646 448 V HN 0.730 nan 8.190 nan 0.000 0.447 449 W N 1.362 122.436 121.300 -0.376 0.000 2.321 449 W HA -0.229 4.431 4.660 0.000 0.000 0.306 449 W C 2.252 178.652 176.519 -0.199 0.000 1.217 449 W CA 2.126 59.296 57.345 -0.293 0.000 1.257 449 W CB -0.379 28.765 29.460 -0.527 0.000 1.145 449 W HN 0.362 nan 8.180 nan 0.000 0.509 450 N N 0.300 118.955 118.700 -0.074 0.000 2.309 450 N HA -0.138 4.602 4.740 0.000 0.000 0.182 450 N C 1.703 177.138 175.510 -0.125 0.000 1.018 450 N CA 1.394 54.394 53.050 -0.084 0.000 0.876 450 N CB -0.791 37.654 38.487 -0.070 0.000 0.972 450 N HN 0.045 nan 8.380 nan 0.000 0.434 451 V N 0.979 120.814 119.914 -0.131 0.000 2.307 451 V HA -0.171 3.949 4.120 0.000 0.000 0.245 451 V C 2.241 178.271 176.094 -0.106 0.000 1.045 451 V CA 1.060 63.297 62.300 -0.106 0.000 1.024 451 V CB -0.407 31.361 31.823 -0.093 0.000 0.651 451 V HN 0.151 nan 8.190 nan 0.000 0.449 452 L N 0.068 121.208 121.223 -0.140 0.000 2.012 452 L HA -0.213 4.127 4.340 0.000 0.000 0.210 452 L C 2.394 179.111 176.870 -0.255 0.000 1.073 452 L CA 2.002 56.719 54.840 -0.204 0.000 0.748 452 L CB -1.118 40.750 42.059 -0.318 0.000 0.891 452 L HN 0.311 nan 8.230 nan 0.000 0.431 453 K N -0.640 119.558 120.400 -0.337 0.000 2.103 453 K HA -0.199 4.121 4.320 0.000 0.000 0.207 453 K C 1.320 177.846 176.600 -0.123 0.000 1.048 453 K CA 1.737 57.882 56.287 -0.237 0.000 0.930 453 K CB 0.021 32.413 32.500 -0.181 0.000 0.716 453 K HN 0.306 nan 8.250 nan 0.000 0.444 454 D N -1.088 119.248 120.400 -0.106 0.000 2.348 454 D HA -0.044 4.596 4.640 0.000 0.000 0.211 454 D C 1.472 177.731 176.300 -0.068 0.000 0.998 454 D CA 1.113 55.071 54.000 -0.071 0.000 0.873 454 D CB 0.486 41.248 40.800 -0.063 0.000 0.925 454 D HN 0.452 nan 8.370 nan 0.000 0.524 455 T N -2.150 112.356 114.554 -0.079 0.000 3.391 455 T HA -0.011 4.339 4.350 0.000 0.000 0.233 455 T C 2.017 176.675 174.700 -0.071 0.000 0.960 455 T CA 0.731 62.789 62.100 -0.070 0.000 1.342 455 T CB -0.785 68.043 68.868 -0.067 0.000 1.124 455 T HN -0.047 nan 8.240 nan 0.000 0.396 456 V N 0.117 119.981 119.914 -0.082 0.000 2.970 456 V HA 0.525 4.645 4.120 0.000 0.000 0.260 456 V C 1.227 177.288 176.094 -0.055 0.000 1.100 456 V CA 0.476 62.735 62.300 -0.068 0.000 1.122 456 V CB -1.525 30.259 31.823 -0.066 0.000 0.721 456 V HN 1.350 nan 8.190 nan 0.000 0.483 457 G N 0.120 108.874 108.800 -0.076 0.000 2.697 457 G HA2 -0.158 3.802 3.960 0.000 0.000 0.686 457 G HA3 -0.158 3.802 3.960 0.000 0.000 0.686 457 G C 0.012 174.858 174.900 -0.091 0.000 1.179 457 G CA 0.173 45.237 45.100 -0.060 0.000 0.765 457 G HN 0.525 nan 8.290 nan 0.000 0.649 458 E N 0.341 120.500 120.200 -0.069 0.000 2.114 458 E HA -0.248 4.102 4.350 0.000 0.000 0.199 458 E C 2.119 178.707 176.600 -0.020 0.000 1.008 458 E CA 2.432 58.797 56.400 -0.059 0.000 0.810 458 E CB 0.009 29.738 29.700 0.048 0.000 0.739 458 E HN 0.685 nan 8.360 nan 0.000 0.456 459 E N 0.492 120.706 120.200 0.023 0.000 2.204 459 E HA -0.151 4.199 4.350 0.000 0.000 0.195 459 E C 1.487 178.119 176.600 0.054 0.000 0.990 459 E CA 1.041 57.477 56.400 0.061 0.000 0.821 459 E CB -0.007 29.737 29.700 0.074 0.000 0.750 459 E HN 0.279 nan 8.360 nan 0.000 0.477 460 E N 0.155 120.373 120.200 0.030 0.000 2.474 460 E HA 0.230 4.580 4.350 0.000 0.000 0.195 460 E C 0.008 176.618 176.600 0.016 0.000 1.039 460 E CA 0.160 56.625 56.400 0.110 0.000 0.881 460 E CB 0.457 30.243 29.700 0.143 0.000 0.970 460 E HN 0.210 nan 8.360 nan 0.000 0.486 461 A N 1.254 123.955 122.820 -0.199 0.000 2.366 461 A HA 0.441 4.761 4.320 0.000 0.000 0.272 461 A C -0.127 177.249 177.584 -0.345 0.000 1.135 461 A CA -0.187 51.558 52.037 -0.486 0.000 0.804 461 A CB 0.879 19.169 19.000 -1.182 0.000 1.064 461 A HN 0.022 nan 8.150 nan 0.000 0.499 462 V N 3.663 123.487 119.914 -0.151 0.000 3.098 462 V HA 0.570 4.690 4.120 0.000 0.000 0.294 462 V C -1.398 174.816 176.094 0.199 0.000 1.351 462 V CA -0.538 61.821 62.300 0.098 0.000 0.999 462 V CB 1.958 33.770 31.823 -0.018 0.000 1.104 462 V HN 0.894 nan 8.190 nan 0.000 0.438 463 L N 4.233 125.598 121.223 0.237 0.000 2.309 463 L HA 0.665 5.005 4.340 0.000 0.000 0.261 463 L C -1.521 175.451 176.870 0.169 0.000 1.021 463 L CA -0.647 54.314 54.840 0.201 0.000 0.823 463 L CB 2.385 44.524 42.059 0.133 0.000 1.366 463 L HN 0.527 nan 8.230 nan 0.000 0.423 464 F N 1.369 121.206 119.950 -0.189 0.000 2.332 464 F HA 0.591 5.118 4.527 0.000 0.000 0.368 464 F C 0.353 175.982 175.800 -0.285 0.000 1.110 464 F CA -0.778 57.010 58.000 -0.352 0.000 1.087 464 F CB 1.465 40.120 39.000 -0.574 0.000 1.235 464 F HN 0.350 nan 8.300 nan 0.000 0.470 465 A N 4.691 127.384 122.820 -0.212 0.000 2.303 465 A HA 0.555 4.875 4.320 0.000 0.000 0.320 465 A C 1.090 178.646 177.584 -0.045 0.000 1.192 465 A CA -0.613 51.306 52.037 -0.196 0.000 0.821 465 A CB 0.911 19.689 19.000 -0.370 0.000 1.188 465 A HN 0.864 nan 8.150 nan 0.000 0.492 466 R N 1.199 121.696 120.500 -0.005 0.000 2.140 466 R HA 0.041 4.381 4.340 0.000 0.000 0.213 466 R C 0.719 177.011 176.300 -0.012 0.000 1.059 466 R CA 1.355 57.435 56.100 -0.034 0.000 1.000 466 R CB 0.088 30.274 30.300 -0.189 0.000 0.910 466 R HN 0.827 nan 8.270 nan 0.000 0.455 467 S N -1.138 114.615 115.700 0.089 0.000 2.689 467 S HA 0.865 5.335 4.470 0.000 0.000 0.306 467 S C -0.700 174.032 174.600 0.220 0.000 1.104 467 S CA -0.530 57.778 58.200 0.181 0.000 0.973 467 S CB 2.397 65.731 63.200 0.222 0.000 1.121 467 S HN 0.209 nan 8.310 nan 0.000 0.523 468 A N 0.115 123.067 122.820 0.220 0.000 2.601 468 A HA 0.879 5.199 4.320 0.000 0.000 0.291 468 A C -0.546 177.194 177.584 0.261 0.000 1.075 468 A CA -0.422 51.775 52.037 0.267 0.000 0.671 468 A CB 1.056 20.153 19.000 0.162 0.000 1.277 468 A HN 1.476 nan 8.150 nan 0.000 0.417 469 S N -0.917 114.976 115.700 0.322 0.000 2.656 469 S HA 0.621 5.091 4.470 0.000 0.000 0.273 469 S C -0.869 173.857 174.600 0.209 0.000 1.168 469 S CA -0.179 58.201 58.200 0.299 0.000 0.817 469 S CB 1.200 64.616 63.200 0.361 0.000 1.146 469 S HN 1.572 nan 8.310 nan 0.000 0.475 470 V N 2.557 122.466 119.914 -0.009 0.000 2.644 470 V HA 0.388 4.508 4.120 0.000 0.000 0.305 470 V C 1.811 177.740 176.094 -0.274 0.000 1.053 470 V CA 1.978 64.087 62.300 -0.319 0.000 1.186 470 V CB -0.021 31.168 31.823 -1.056 0.000 0.895 470 V HN 1.603 nan 8.190 nan 0.000 0.490 471 G N 4.022 112.624 108.800 -0.329 0.000 2.234 471 G HA2 -0.208 3.752 3.960 0.000 0.000 0.235 471 G HA3 -0.208 3.752 3.960 0.000 0.000 0.235 471 G C 0.921 175.709 174.900 -0.188 0.000 0.997 471 G CA 0.286 45.207 45.100 -0.299 0.000 0.623 471 G HN 1.420 nan 8.290 nan 0.000 0.514 472 A N 0.931 123.740 122.820 -0.019 0.000 2.209 472 A HA 0.211 4.531 4.320 0.000 0.000 0.212 472 A C 2.218 179.613 177.584 -0.314 0.000 1.158 472 A CA 1.967 53.998 52.037 -0.011 0.000 0.742 472 A CB -0.328 18.912 19.000 0.400 0.000 0.790 472 A HN 0.906 nan 8.150 nan 0.000 0.472 473 Q N 0.845 120.167 119.800 -0.797 0.000 2.291 473 Q HA -0.172 4.168 4.340 0.000 0.000 0.206 473 Q C 1.095 176.704 176.000 -0.651 0.000 0.976 473 Q CA 1.626 56.848 55.803 -0.969 0.000 0.875 473 Q CB -0.539 27.354 28.738 -1.407 0.000 0.927 473 Q HN 0.647 nan 8.270 nan 0.000 0.450 474 K N 0.261 120.108 120.400 -0.922 0.000 2.442 474 K HA -0.048 4.272 4.320 0.000 0.000 0.198 474 K C -0.287 175.532 176.600 -1.303 0.000 1.044 474 K CA 0.677 56.314 56.287 -1.083 0.000 0.948 474 K CB -0.015 31.699 32.500 -1.310 0.000 0.762 474 K HN 0.207 nan 8.250 nan 0.000 0.472 475 F N 0.829 120.376 119.950 -0.672 0.000 2.449 475 F HA 0.314 4.841 4.527 0.000 0.000 0.329 475 F C -2.348 173.238 175.800 -0.357 0.000 1.245 475 F CA -3.619 53.773 58.000 -1.014 0.000 1.193 475 F CB 0.125 38.706 39.000 -0.698 0.000 1.425 475 F HN -0.175 nan 8.300 nan 0.000 0.544 476 P HA 0.079 nan 4.420 nan 0.000 0.288 476 P C 0.032 177.282 177.300 -0.083 0.000 1.291 476 P CA -0.242 62.876 63.100 0.031 0.000 0.766 476 P CB 0.638 32.380 31.700 0.071 0.000 1.242 477 V N -1.291 118.475 119.914 -0.247 0.000 3.742 477 V HA -0.238 3.882 4.120 0.000 0.000 0.309 477 V C 0.255 176.052 176.094 -0.496 0.000 1.513 477 V CA 1.074 63.122 62.300 -0.420 0.000 1.570 477 V CB -2.425 28.852 31.823 -0.909 0.000 1.101 477 V HN 0.506 nan 8.190 nan 0.000 0.392 478 H N 3.353 122.327 119.070 -0.160 0.000 2.502 478 H HA 0.549 5.105 4.556 0.000 0.000 0.327 478 H C -0.220 174.952 175.328 -0.261 0.000 1.099 478 H CA -0.206 55.771 56.048 -0.117 0.000 1.323 478 H CB 0.928 30.674 29.762 -0.026 0.000 1.450 478 H HN 0.829 nan 8.280 nan 0.000 0.502 479 W N 3.361 124.423 121.300 -0.397 0.000 2.532 479 W HA 0.425 5.085 4.660 0.000 0.000 0.321 479 W C 0.798 177.138 176.519 -0.299 0.000 1.037 479 W CA -1.010 55.997 57.345 -0.563 0.000 1.220 479 W CB 1.236 30.369 29.460 -0.546 0.000 1.361 479 W HN 0.736 nan 8.180 nan 0.000 0.468 480 G N 3.505 111.696 108.800 -1.014 0.000 2.708 480 G HA2 0.315 4.275 3.960 0.000 0.000 0.210 480 G HA3 0.315 4.275 3.960 0.000 0.000 0.210 480 G C 0.724 175.224 174.900 -0.667 0.000 1.141 480 G CA 0.724 45.562 45.100 -0.436 0.000 0.788 480 G HN 1.416 nan 8.290 nan 0.000 0.531 481 G N -0.256 107.424 108.800 -1.867 0.000 2.587 481 G HA2 -0.171 3.789 3.960 0.000 0.000 0.212 481 G HA3 -0.171 3.789 3.960 0.000 0.000 0.212 481 G C -1.028 173.341 174.900 -0.884 0.000 1.327 481 G CA -0.276 43.959 45.100 -1.442 0.000 0.898 481 G HN 0.209 nan 8.290 nan 0.000 0.551 482 D N 0.272 120.454 120.400 -0.362 0.000 2.280 482 D HA 0.509 5.149 4.640 0.000 0.000 0.243 482 D C 0.003 176.236 176.300 -0.111 0.000 1.129 482 D CA 0.307 54.185 54.000 -0.204 0.000 0.848 482 D CB 1.141 41.893 40.800 -0.081 0.000 1.107 482 D HN 0.613 nan 8.370 nan 0.000 0.471 483 C N 2.414 121.708 119.300 -0.011 0.000 2.561 483 C HA 0.377 4.837 4.460 0.000 0.000 0.319 483 C C -0.057 174.990 174.990 0.095 0.000 1.198 483 C CA -0.900 58.160 59.018 0.070 0.000 1.665 483 C CB 0.434 28.332 27.740 0.263 0.000 2.258 483 C HN 0.506 nan 8.230 nan 0.000 0.493 484 Y N 0.569 121.010 120.300 0.235 0.000 2.314 484 Y HA 0.388 4.938 4.550 0.000 0.000 0.334 484 Y C 0.956 177.022 175.900 0.276 0.000 1.266 484 Y CA -0.069 58.162 58.100 0.217 0.000 1.391 484 Y CB 0.472 39.038 38.460 0.177 0.000 1.306 484 Y HN 0.753 nan 8.280 nan 0.000 0.558 485 A N 3.000 126.057 122.820 0.394 0.000 3.126 485 A HA 0.394 4.714 4.320 0.000 0.000 0.268 485 A C -0.607 177.141 177.584 0.274 0.000 1.605 485 A CA -0.325 51.900 52.037 0.312 0.000 1.305 485 A CB -1.640 17.470 19.000 0.182 0.000 1.160 485 A HN 0.815 nan 8.150 nan 0.000 0.609 486 N N -2.444 116.469 118.700 0.356 0.000 2.825 486 N HA 0.390 5.130 4.740 0.000 0.000 0.253 486 N C -0.154 175.451 175.510 0.158 0.000 1.426 486 N CA -0.780 52.354 53.050 0.140 0.000 0.851 486 N CB 0.344 38.916 38.487 0.143 0.000 1.470 486 N HN -0.078 nan 8.380 nan 0.000 0.517 487 Y N -0.200 120.254 120.300 0.257 0.000 2.242 487 Y HA 0.006 4.556 4.550 0.000 0.000 0.291 487 Y C 1.645 177.655 175.900 0.183 0.000 1.137 487 Y CA 1.219 59.467 58.100 0.246 0.000 1.181 487 Y CB -0.307 38.324 38.460 0.284 0.000 0.989 487 Y HN 0.666 nan 8.280 nan 0.000 0.527 488 E N -0.604 119.763 120.200 0.278 0.000 2.077 488 E HA -0.184 4.166 4.350 0.000 0.000 0.193 488 E C 2.484 179.177 176.600 0.155 0.000 0.989 488 E CA 1.451 57.946 56.400 0.157 0.000 0.800 488 E CB -0.502 29.276 29.700 0.131 0.000 0.746 488 E HN 0.193 nan 8.360 nan 0.000 0.452 489 S N -0.145 115.688 115.700 0.222 0.000 2.368 489 S HA -0.188 4.283 4.470 0.000 0.000 0.225 489 S C 1.950 176.688 174.600 0.231 0.000 1.030 489 S CA 1.479 59.848 58.200 0.281 0.000 0.999 489 S CB -0.212 63.247 63.200 0.431 0.000 0.844 489 S HN 0.329 nan 8.310 nan 0.000 0.459 490 M N 0.840 120.450 119.600 0.016 0.000 2.117 490 M HA -0.077 4.403 4.480 0.000 0.000 0.262 490 M C 2.065 178.421 176.300 0.092 0.000 1.065 490 M CA 1.763 56.818 55.300 -0.409 0.000 1.114 490 M CB -0.454 31.677 32.600 -0.781 0.000 1.361 490 M HN 0.436 nan 8.290 nan 0.000 0.408 491 A N 1.065 123.975 122.820 0.150 0.000 1.898 491 A HA -0.215 4.105 4.320 0.000 0.000 0.216 491 A C 1.927 179.525 177.584 0.023 0.000 1.181 491 A CA 1.846 53.843 52.037 -0.066 0.000 0.620 491 A CB -0.987 17.771 19.000 -0.404 0.000 0.819 491 A HN 0.799 nan 8.150 nan 0.000 0.442 492 E N -0.181 120.080 120.200 0.102 0.000 2.150 492 E HA -0.119 4.231 4.350 0.000 0.000 0.193 492 E C 1.893 178.695 176.600 0.335 0.000 0.985 492 E CA 1.434 57.946 56.400 0.186 0.000 0.814 492 E CB -0.437 29.378 29.700 0.192 0.000 0.752 492 E HN 0.446 nan 8.360 nan 0.000 0.466 493 S N 1.277 117.186 115.700 0.348 0.000 2.368 493 S HA -0.131 4.339 4.470 0.000 0.000 0.225 493 S C 1.856 176.675 174.600 0.365 0.000 1.030 493 S CA 1.092 59.589 58.200 0.495 0.000 0.999 493 S CB -0.352 63.194 63.200 0.577 0.000 0.844 493 S HN 0.225 nan 8.310 nan 0.000 0.459 494 L N 2.508 123.884 121.223 0.255 0.000 2.042 494 L HA -0.071 4.269 4.340 0.000 0.000 0.210 494 L C 2.168 178.952 176.870 -0.142 0.000 1.076 494 L CA 1.674 56.551 54.840 0.062 0.000 0.749 494 L CB -0.637 41.381 42.059 -0.069 0.000 0.893 494 L HN 0.158 nan 8.230 nan 0.000 0.432 495 R N -0.619 119.840 120.500 -0.069 0.000 2.081 495 R HA -0.103 4.237 4.340 0.000 0.000 0.235 495 R C 2.236 178.373 176.300 -0.272 0.000 1.131 495 R CA 1.175 57.196 56.100 -0.131 0.000 0.960 495 R CB -1.126 29.139 30.300 -0.058 0.000 0.856 495 R HN 0.569 nan 8.270 nan 0.000 0.436 496 G N 0.699 109.333 108.800 -0.276 0.000 2.459 496 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 496 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 496 G C 1.546 175.996 174.900 -0.751 0.000 1.183 496 G CA 1.001 45.766 45.100 -0.557 0.000 0.776 496 G HN 0.464 nan 8.290 nan 0.000 0.552 497 G N 0.853 108.938 108.800 -1.192 0.000 2.421 497 G HA2 -0.155 3.805 3.960 0.000 0.000 0.216 497 G HA3 -0.155 3.805 3.960 0.000 0.000 0.216 497 G C 1.845 176.133 174.900 -1.020 0.000 1.171 497 G CA 0.830 44.679 45.100 -2.085 0.000 0.775 497 G HN 0.424 nan 8.290 nan 0.000 0.543 498 L N 0.842 121.685 121.223 -0.632 0.000 2.043 498 L HA -0.151 4.189 4.340 0.000 0.000 0.212 498 L C 3.177 179.857 176.870 -0.318 0.000 1.075 498 L CA 1.486 56.106 54.840 -0.366 0.000 0.752 498 L CB -0.482 41.444 42.059 -0.222 0.000 0.891 498 L HN 0.191 nan 8.230 nan 0.000 0.432 499 S N -0.250 115.239 115.700 -0.351 0.000 2.383 499 S HA -0.114 4.356 4.470 0.000 0.000 0.227 499 S C 1.972 176.414 174.600 -0.264 0.000 1.026 499 S CA 0.980 59.018 58.200 -0.269 0.000 0.981 499 S CB -0.203 62.817 63.200 -0.301 0.000 0.818 499 S HN 0.324 nan 8.310 nan 0.000 0.472 500 I N 1.574 121.918 120.570 -0.377 0.000 2.361 500 I HA -0.150 4.020 4.170 0.000 0.000 0.251 500 I C 2.287 178.327 176.117 -0.128 0.000 1.133 500 I CA 1.104 62.219 61.300 -0.309 0.000 1.413 500 I CB -0.513 37.215 38.000 -0.455 0.000 1.073 500 I HN 0.392 nan 8.210 nan 0.000 0.424 501 G N 0.599 109.284 108.800 -0.193 0.000 2.408 501 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 501 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 501 G C 1.520 176.360 174.900 -0.100 0.000 1.150 501 G CA 0.289 45.311 45.100 -0.130 0.000 0.776 501 G HN 0.387 nan 8.290 nan 0.000 0.542 502 L N 1.052 122.212 121.223 -0.104 0.000 2.610 502 L HA 0.119 4.459 4.340 0.000 0.000 0.232 502 L C 1.504 178.394 176.870 0.034 0.000 1.149 502 L CA 0.335 55.142 54.840 -0.055 0.000 0.872 502 L CB 0.388 42.406 42.059 -0.070 0.000 0.992 502 L HN 0.081 nan 8.230 nan 0.000 0.447 503 S N -0.754 114.955 115.700 0.016 0.000 2.749 503 S HA 0.373 4.843 4.470 0.000 0.000 0.246 503 S C 1.177 175.776 174.600 -0.002 0.000 1.023 503 S CA 0.328 58.559 58.200 0.051 0.000 1.012 503 S CB 1.117 64.368 63.200 0.086 0.000 0.942 503 S HN 0.490 nan 8.310 nan 0.000 0.531 504 G N 1.338 110.096 108.800 -0.069 0.000 2.157 504 G HA2 -0.238 3.722 3.960 0.000 0.000 0.239 504 G HA3 -0.238 3.722 3.960 0.000 0.000 0.239 504 G C -0.165 174.549 174.900 -0.310 0.000 0.982 504 G CA -0.577 44.439 45.100 -0.140 0.000 0.650 504 G HN 0.461 nan 8.290 nan 0.000 0.527 505 F N 1.181 121.010 119.950 -0.201 0.000 2.391 505 F HA 0.544 5.071 4.527 0.000 0.000 0.359 505 F C 1.649 177.315 175.800 -0.223 0.000 1.122 505 F CA 0.281 58.150 58.000 -0.219 0.000 1.120 505 F CB 1.763 40.613 39.000 -0.250 0.000 1.142 505 F HN 0.008 nan 8.300 nan 0.000 0.483 506 G N 3.256 111.948 108.800 -0.180 0.000 2.511 506 G HA2 0.013 3.973 3.960 0.000 0.000 0.217 506 G HA3 0.013 3.973 3.960 0.000 0.000 0.217 506 G C -0.109 174.275 174.900 -0.861 0.000 1.133 506 G CA 0.449 45.203 45.100 -0.577 0.000 0.792 506 G HN 0.382 nan 8.290 nan 0.000 0.539 507 F N -2.598 117.428 119.950 0.127 0.000 2.588 507 F HA 0.671 5.198 4.527 0.000 0.000 0.310 507 F C -1.081 174.847 175.800 0.213 0.000 1.082 507 F CA -1.569 56.518 58.000 0.145 0.000 0.929 507 F CB 1.975 40.979 39.000 0.007 0.000 1.254 507 F HN 0.006 nan 8.300 nan 0.000 0.455 508 W N 1.770 123.143 121.300 0.122 0.000 3.624 508 W HA 0.633 5.293 4.660 0.000 0.000 0.312 508 W C -1.511 174.991 176.519 -0.029 0.000 1.203 508 W CA -0.708 56.632 57.345 -0.009 0.000 1.225 508 W CB 1.950 31.390 29.460 -0.033 0.000 1.321 508 W HN 0.490 nan 8.180 nan 0.000 0.506 509 S N 3.336 118.532 115.700 -0.840 0.000 2.607 509 S HA 0.873 5.343 4.470 0.000 0.000 0.303 509 S C -0.998 172.972 174.600 -1.050 0.000 1.086 509 S CA -0.235 57.465 58.200 -0.833 0.000 0.995 509 S CB 0.924 63.401 63.200 -1.204 0.000 1.084 509 S HN 0.695 nan 8.310 nan 0.000 0.507 510 H N -0.524 118.081 119.070 -0.775 0.000 2.967 510 H HA 0.576 5.132 4.556 0.000 0.000 0.318 510 H C -2.120 173.084 175.328 -0.206 0.000 1.375 510 H CA -1.067 54.591 56.048 -0.651 0.000 1.132 510 H CB 0.457 29.728 29.762 -0.819 0.000 1.848 510 H HN 0.324 nan 8.280 nan 0.000 0.524 511 D N 1.035 121.373 120.400 -0.103 0.000 2.256 511 D HA 0.282 4.922 4.640 0.000 0.000 0.240 511 D C 0.029 176.053 176.300 -0.461 0.000 1.062 511 D CA -0.398 53.522 54.000 -0.133 0.000 0.832 511 D CB 1.685 42.539 40.800 0.092 0.000 1.135 511 D HN 0.440 nan 8.370 nan 0.000 0.484 512 I N 1.657 121.935 120.570 -0.486 0.000 2.587 512 I HA 0.114 4.284 4.170 0.000 0.000 0.284 512 I C 1.622 177.229 176.117 -0.850 0.000 1.134 512 I CA 0.627 61.504 61.300 -0.705 0.000 1.410 512 I CB 0.349 38.087 38.000 -0.437 0.000 1.392 512 I HN 0.706 nan 8.210 nan 0.000 0.545 513 G N 3.929 111.916 108.800 -1.355 0.000 2.184 513 G HA2 -0.144 3.816 3.960 0.000 0.000 0.264 513 G HA3 -0.144 3.816 3.960 0.000 0.000 0.264 513 G C 0.768 175.200 174.900 -0.779 0.000 0.975 513 G CA 0.215 44.872 45.100 -0.738 0.000 0.642 513 G HN 1.507 nan 8.290 nan 0.000 0.536 514 G N -1.206 106.927 108.800 -1.112 0.000 2.569 514 G HA2 -0.072 3.888 3.960 0.000 0.000 0.259 514 G HA3 -0.072 3.888 3.960 0.000 0.000 0.259 514 G C 0.572 175.475 174.900 0.005 0.000 1.263 514 G CA 0.592 45.409 45.100 -0.471 0.000 0.928 514 G HN 1.301 nan 8.290 nan 0.000 0.572 515 F N 0.564 120.474 119.950 -0.066 0.000 2.537 515 F HA 0.372 4.899 4.527 0.000 0.000 0.275 515 F C 1.476 177.299 175.800 0.039 0.000 0.947 515 F CA 0.610 58.619 58.000 0.015 0.000 1.238 515 F CB 0.182 39.212 39.000 0.050 0.000 1.071 515 F HN 0.676 nan 8.300 nan 0.000 0.749 516 E N 2.587 122.834 120.200 0.078 0.000 3.056 516 E HA -0.219 4.131 4.350 0.000 0.000 0.264 516 E C 0.938 177.539 176.600 0.002 0.000 0.899 516 E CA 0.343 56.772 56.400 0.048 0.000 0.966 516 E CB 0.307 30.155 29.700 0.247 0.000 0.913 516 E HN 0.530 nan 8.360 nan 0.000 0.522 517 N N 3.164 121.827 118.700 -0.061 0.000 2.166 517 N HA -0.132 4.608 4.740 0.000 0.000 0.186 517 N C 0.111 175.589 175.510 -0.053 0.000 1.019 517 N CA 1.480 54.474 53.050 -0.094 0.000 0.856 517 N CB -0.347 38.058 38.487 -0.136 0.000 0.993 517 N HN 0.382 nan 8.380 nan 0.000 0.426 518 T N -0.692 113.854 114.554 -0.014 0.000 2.781 518 T HA 0.743 5.093 4.350 0.000 0.000 0.305 518 T C -0.149 174.590 174.700 0.065 0.000 1.001 518 T CA -0.925 61.173 62.100 -0.004 0.000 0.950 518 T CB 1.392 70.253 68.868 -0.012 0.000 0.955 518 T HN 0.411 nan 8.240 nan 0.000 0.471 519 A N 5.144 128.045 122.820 0.134 0.000 2.290 519 A HA 0.748 5.068 4.320 0.000 0.000 0.310 519 A C -2.429 175.252 177.584 0.162 0.000 1.202 519 A CA -1.947 50.196 52.037 0.177 0.000 0.837 519 A CB 0.057 19.210 19.000 0.255 0.000 1.139 519 A HN 0.617 nan 8.150 nan 0.000 0.509 520 P HA 0.248 nan 4.420 nan 0.000 0.269 520 P C 0.863 178.122 177.300 -0.068 0.000 1.209 520 P CA 0.286 63.343 63.100 -0.071 0.000 0.776 520 P CB 0.951 32.462 31.700 -0.316 0.000 0.876 521 A N 2.759 125.610 122.820 0.052 0.000 1.972 521 A HA -0.239 4.081 4.320 0.000 0.000 0.219 521 A C 1.852 179.411 177.584 -0.041 0.000 1.169 521 A CA 2.072 54.139 52.037 0.050 0.000 0.635 521 A CB -1.685 17.371 19.000 0.092 0.000 0.810 521 A HN 0.831 nan 8.150 nan 0.000 0.446 522 H N -1.866 117.225 119.070 0.036 0.000 2.389 522 H HA 0.030 4.586 4.556 0.000 0.000 0.299 522 H C 1.573 177.064 175.328 0.271 0.000 1.081 522 H CA 1.324 57.424 56.048 0.087 0.000 1.345 522 H CB -0.754 29.228 29.762 0.366 0.000 1.393 522 H HN 0.109 nan 8.280 nan 0.000 0.520 523 V N 0.675 120.490 119.914 -0.165 0.000 2.307 523 V HA -0.270 3.850 4.120 0.000 0.000 0.245 523 V C 2.315 178.542 176.094 0.222 0.000 1.045 523 V CA 2.014 64.278 62.300 -0.059 0.000 1.024 523 V CB -0.945 30.686 31.823 -0.320 0.000 0.651 523 V HN 0.454 nan 8.190 nan 0.000 0.449 524 Y N 1.224 121.494 120.300 -0.050 0.000 2.114 524 Y HA -0.355 4.195 4.550 0.000 0.000 0.282 524 Y C 2.566 178.464 175.900 -0.005 0.000 1.165 524 Y CA 2.344 60.367 58.100 -0.128 0.000 1.148 524 Y CB -0.175 37.937 38.460 -0.580 0.000 0.972 524 Y HN 0.133 nan 8.280 nan 0.000 0.504 525 K N -0.313 120.184 120.400 0.162 0.000 2.032 525 K HA -0.188 4.132 4.320 0.000 0.000 0.209 525 K C 2.127 178.866 176.600 0.231 0.000 1.048 525 K CA 1.682 58.054 56.287 0.141 0.000 0.927 525 K CB -0.108 32.346 32.500 -0.077 0.000 0.712 525 K HN 0.126 nan 8.250 nan 0.000 0.441 526 R N -0.244 120.469 120.500 0.354 0.000 2.105 526 R HA -0.155 4.185 4.340 0.000 0.000 0.239 526 R C 2.015 178.443 176.300 0.215 0.000 1.135 526 R CA 1.065 57.351 56.100 0.310 0.000 0.967 526 R CB -0.675 29.882 30.300 0.428 0.000 0.861 526 R HN 0.455 nan 8.270 nan 0.000 0.442 527 W N 0.915 122.266 121.300 0.086 0.000 2.436 527 W HA -0.116 4.544 4.660 0.000 0.000 0.284 527 W C 2.008 178.495 176.519 -0.054 0.000 1.225 527 W CA 0.081 57.481 57.345 0.091 0.000 1.271 527 W CB -0.530 28.957 29.460 0.045 0.000 1.114 527 W HN 0.052 nan 8.180 nan 0.000 0.559 528 C N 0.297 119.621 119.300 0.040 0.000 2.413 528 C HA -0.163 4.297 4.460 0.000 0.000 0.276 528 C C 3.073 178.009 174.990 -0.091 0.000 1.236 528 C CA 1.737 60.707 59.018 -0.081 0.000 1.735 528 C CB -1.550 26.139 27.740 -0.085 0.000 2.031 528 C HN 0.360 nan 8.230 nan 0.000 0.474 529 A N 0.509 123.152 122.820 -0.296 0.000 1.873 529 A HA -0.246 4.074 4.320 0.000 0.000 0.218 529 A C 1.985 179.494 177.584 -0.125 0.000 1.193 529 A CA 2.119 53.717 52.037 -0.733 0.000 0.629 529 A CB -0.956 17.524 19.000 -0.867 0.000 0.826 529 A HN 0.539 nan 8.150 nan 0.000 0.447 530 F N 1.342 121.253 119.950 -0.065 0.000 2.102 530 F HA -0.035 4.492 4.527 0.000 0.000 0.298 530 F C 2.276 178.256 175.800 0.301 0.000 1.105 530 F CA 1.410 59.499 58.000 0.149 0.000 1.239 530 F CB -1.097 37.959 39.000 0.094 0.000 0.991 530 F HN 0.166 nan 8.300 nan 0.000 0.474 531 G N 1.056 109.889 108.800 0.055 0.000 2.418 531 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 531 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 531 G C 1.629 176.494 174.900 -0.057 0.000 1.158 531 G CA 0.814 45.769 45.100 -0.241 0.000 0.771 531 G HN 0.362 nan 8.290 nan 0.000 0.545 532 L N 0.004 121.261 121.223 0.057 0.000 2.291 532 L HA 0.165 4.505 4.340 0.000 0.000 0.214 532 L C 1.506 178.509 176.870 0.221 0.000 1.120 532 L CA 0.671 55.600 54.840 0.149 0.000 0.799 532 L CB -0.607 41.584 42.059 0.221 0.000 0.925 532 L HN 0.144 nan 8.230 nan 0.000 0.446 533 L N -0.558 120.822 121.223 0.262 0.000 2.928 533 L HA 0.221 4.561 4.340 0.000 0.000 0.236 533 L C 0.495 177.648 176.870 0.472 0.000 1.290 533 L CA 0.312 55.365 54.840 0.355 0.000 1.099 533 L CB -0.883 41.385 42.059 0.348 0.000 1.437 533 L HN 0.038 nan 8.230 nan 0.000 0.493 534 S N -1.735 114.171 115.700 0.344 0.000 2.715 534 S HA 0.369 4.839 4.470 0.000 0.000 0.307 534 S C 1.173 175.928 174.600 0.259 0.000 1.119 534 S CA 0.006 58.404 58.200 0.329 0.000 0.937 534 S CB 1.983 65.365 63.200 0.304 0.000 1.150 534 S HN 0.375 nan 8.310 nan 0.000 0.521 535 S N 0.556 116.427 115.700 0.284 0.000 2.356 535 S HA -0.095 4.375 4.470 0.000 0.000 0.223 535 S C 0.155 174.657 174.600 -0.162 0.000 1.032 535 S CA 1.231 59.592 58.200 0.269 0.000 1.005 535 S CB -0.482 63.042 63.200 0.540 0.000 0.867 535 S HN 0.755 nan 8.310 nan 0.000 0.449 536 H N -0.299 118.747 119.070 -0.040 0.000 2.806 536 H HA 0.745 5.301 4.556 0.000 0.000 0.367 536 H C -1.167 174.030 175.328 -0.217 0.000 1.136 536 H CA -0.437 55.494 56.048 -0.196 0.000 1.178 536 H CB 2.237 31.742 29.762 -0.427 0.000 1.718 536 H HN 0.182 nan 8.280 nan 0.000 0.540 537 S N 2.156 117.820 115.700 -0.060 0.000 2.575 537 S HA 0.618 5.088 4.470 0.000 0.000 0.278 537 S C -0.911 173.684 174.600 -0.009 0.000 1.139 537 S CA -0.945 57.200 58.200 -0.092 0.000 0.954 537 S CB 2.137 65.353 63.200 0.026 0.000 1.054 537 S HN 0.626 nan 8.310 nan 0.000 0.483 538 R N 2.180 122.636 120.500 -0.073 0.000 2.668 538 R HA 0.587 4.927 4.340 0.000 0.000 0.272 538 R C -2.002 174.290 176.300 -0.014 0.000 1.019 538 R CA -0.757 55.356 56.100 0.022 0.000 0.894 538 R CB 1.037 31.325 30.300 -0.019 0.000 1.228 538 R HN 0.636 nan 8.270 nan 0.000 0.460 539 L N 3.833 125.086 121.223 0.049 0.000 2.276 539 L HA 0.452 4.792 4.340 0.000 0.000 0.286 539 L C -0.972 175.982 176.870 0.139 0.000 1.024 539 L CA -0.672 54.200 54.840 0.054 0.000 0.826 539 L CB 1.258 43.355 42.059 0.062 0.000 1.211 539 L HN 0.681 nan 8.230 nan 0.000 0.422 540 H N 2.392 121.487 119.070 0.041 0.000 3.240 540 H HA 0.544 5.100 4.556 0.000 0.000 0.329 540 H C -0.495 174.976 175.328 0.239 0.000 1.024 540 H CA -0.354 55.759 56.048 0.108 0.000 1.487 540 H CB 1.385 31.170 29.762 0.039 0.000 1.909 540 H HN 0.591 nan 8.280 nan 0.000 0.465 541 G N 1.857 110.581 108.800 -0.126 0.000 2.613 541 G HA2 0.386 4.346 3.960 0.000 0.000 0.303 541 G HA3 0.386 4.346 3.960 0.000 0.000 0.303 541 G C -0.128 174.687 174.900 -0.142 0.000 1.312 541 G CA -0.032 45.041 45.100 -0.044 0.000 1.036 541 G HN 0.590 nan 8.290 nan 0.000 0.513 542 S N -1.321 114.204 115.700 -0.291 0.000 2.696 542 S HA 0.119 4.589 4.470 0.000 0.000 0.172 542 S C 1.970 176.435 174.600 -0.225 0.000 0.767 542 S CA 0.276 58.178 58.200 -0.497 0.000 0.856 542 S CB -0.115 62.448 63.200 -1.063 0.000 0.782 542 S HN 0.459 nan 8.310 nan 0.000 0.582 543 K N 1.277 121.524 120.400 -0.255 0.000 2.418 543 K HA 0.152 4.472 4.320 0.000 0.000 0.195 543 K C 0.424 176.847 176.600 -0.296 0.000 1.035 543 K CA 0.296 56.444 56.287 -0.231 0.000 1.003 543 K CB 0.256 32.644 32.500 -0.186 0.000 0.793 543 K HN 0.388 nan 8.250 nan 0.000 0.494 544 S N -0.428 115.091 115.700 -0.301 0.000 2.634 544 S HA 0.429 4.899 4.470 0.000 0.000 0.296 544 S C -0.596 173.802 174.600 -0.337 0.000 1.104 544 S CA -1.075 56.893 58.200 -0.387 0.000 0.920 544 S CB 0.672 63.721 63.200 -0.251 0.000 1.111 544 S HN 0.008 nan 8.310 nan 0.000 0.493 545 Y N 0.527 120.784 120.300 -0.072 0.000 2.314 545 Y HA 0.505 5.055 4.550 0.000 0.000 0.334 545 Y C 1.675 177.492 175.900 -0.138 0.000 1.266 545 Y CA -0.940 57.095 58.100 -0.108 0.000 1.391 545 Y CB 0.534 38.874 38.460 -0.201 0.000 1.306 545 Y HN 0.525 nan 8.280 nan 0.000 0.558 546 R N 0.995 121.524 120.500 0.049 0.000 2.509 546 R HA 0.169 4.509 4.340 0.000 0.000 0.300 546 R C -0.783 175.511 176.300 -0.010 0.000 0.985 546 R CA -0.223 55.949 56.100 0.120 0.000 1.092 546 R CB -0.477 29.917 30.300 0.156 0.000 1.237 546 R HN 0.561 nan 8.270 nan 0.000 0.546 547 V N 0.345 120.023 119.914 -0.393 0.000 2.673 547 V HA 0.118 4.238 4.120 0.000 0.000 0.303 547 V C -1.211 174.571 176.094 -0.521 0.000 1.046 547 V CA -1.126 60.694 62.300 -0.801 0.000 1.126 547 V CB 0.751 31.376 31.823 -1.997 0.000 0.934 547 V HN -0.013 nan 8.190 nan 0.000 0.487 548 P HA -0.106 nan 4.420 nan 0.000 0.220 548 P C 1.268 178.612 177.300 0.073 0.000 1.148 548 P CA 1.856 64.978 63.100 0.037 0.000 0.803 548 P CB -0.146 31.699 31.700 0.242 0.000 0.782 549 W N 0.003 121.333 121.300 0.049 0.000 2.699 549 W HA 0.390 5.050 4.660 0.000 0.000 0.249 549 W C 1.790 178.290 176.519 -0.031 0.000 1.280 549 W CA 0.520 57.873 57.345 0.014 0.000 1.345 549 W CB -1.648 27.810 29.460 -0.003 0.000 1.128 549 W HN -0.119 nan 8.180 nan 0.000 0.642 550 A N -0.029 122.612 122.820 -0.299 0.000 2.070 550 A HA -0.049 4.271 4.320 0.000 0.000 0.220 550 A C 1.281 178.576 177.584 -0.482 0.000 1.159 550 A CA 1.306 53.117 52.037 -0.376 0.000 0.656 550 A CB -0.707 17.968 19.000 -0.541 0.000 0.800 550 A HN 0.492 nan 8.150 nan 0.000 0.453 551 Y N -0.120 120.042 120.300 -0.230 0.000 2.503 551 Y HA 0.338 4.888 4.550 0.000 0.000 0.236 551 Y C 0.628 176.477 175.900 -0.084 0.000 1.047 551 Y CA 0.207 58.178 58.100 -0.214 0.000 1.267 551 Y CB 0.030 38.239 38.460 -0.419 0.000 1.093 551 Y HN 0.454 nan 8.280 nan 0.000 0.490 552 D N -2.388 118.096 120.400 0.139 0.000 2.677 552 D HA 0.123 4.763 4.640 0.000 0.000 0.298 552 D C -0.192 176.186 176.300 0.130 0.000 1.250 552 D CA -0.476 53.591 54.000 0.111 0.000 0.888 552 D CB 0.342 41.193 40.800 0.085 0.000 1.397 552 D HN 0.041 nan 8.370 nan 0.000 0.461 553 D N -0.154 120.316 120.400 0.116 0.000 2.097 553 D HA -0.170 4.470 4.640 0.000 0.000 0.195 553 D C 1.362 177.739 176.300 0.128 0.000 0.989 553 D CA 1.222 55.295 54.000 0.121 0.000 0.827 553 D CB 0.171 41.029 40.800 0.097 0.000 0.966 553 D HN 0.672 nan 8.370 nan 0.000 0.456 554 E N 0.639 120.907 120.200 0.115 0.000 2.160 554 E HA -0.149 4.201 4.350 0.000 0.000 0.195 554 E C 1.931 178.613 176.600 0.137 0.000 0.991 554 E CA 0.863 57.337 56.400 0.123 0.000 0.810 554 E CB 0.196 29.963 29.700 0.111 0.000 0.742 554 E HN 0.006 nan 8.360 nan 0.000 0.466 555 S N -0.362 115.415 115.700 0.128 0.000 2.383 555 S HA -0.154 4.316 4.470 0.000 0.000 0.227 555 S C 2.049 176.796 174.600 0.246 0.000 1.026 555 S CA 0.993 59.300 58.200 0.178 0.000 0.981 555 S CB -0.231 63.028 63.200 0.099 0.000 0.818 555 S HN 0.476 nan 8.310 nan 0.000 0.472 556 C N 2.082 121.518 119.300 0.227 0.000 2.432 556 C HA -0.087 4.373 4.460 0.000 0.000 0.277 556 C C 2.437 177.557 174.990 0.216 0.000 1.249 556 C CA 0.394 59.557 59.018 0.242 0.000 1.725 556 C CB -1.297 26.584 27.740 0.235 0.000 2.028 556 C HN 0.542 nan 8.230 nan 0.000 0.477 557 D N 0.806 121.320 120.400 0.190 0.000 2.133 557 D HA -0.124 4.516 4.640 0.000 0.000 0.195 557 D C 2.151 178.590 176.300 0.231 0.000 0.997 557 D CA 1.236 55.346 54.000 0.183 0.000 0.840 557 D CB -0.517 40.376 40.800 0.156 0.000 0.947 557 D HN 0.325 nan 8.370 nan 0.000 0.452 558 V N 0.532 120.604 119.914 0.263 0.000 2.323 558 V HA -0.172 3.948 4.120 0.000 0.000 0.244 558 V C 2.672 179.029 176.094 0.438 0.000 1.041 558 V CA 0.840 63.365 62.300 0.374 0.000 1.025 558 V CB -0.345 31.698 31.823 0.367 0.000 0.656 558 V HN 0.045 nan 8.190 nan 0.000 0.451 559 V N 0.008 120.117 119.914 0.325 0.000 2.287 559 V HA -0.316 3.804 4.120 0.000 0.000 0.248 559 V C 2.561 178.814 176.094 0.265 0.000 1.053 559 V CA 2.567 65.037 62.300 0.283 0.000 1.027 559 V CB -0.751 31.215 31.823 0.237 0.000 0.646 559 V HN 0.474 nan 8.190 nan 0.000 0.447 560 R N -0.897 119.738 120.500 0.225 0.000 2.070 560 R HA -0.207 4.133 4.340 0.000 0.000 0.233 560 R C 2.266 178.628 176.300 0.103 0.000 1.137 560 R CA 2.196 58.390 56.100 0.156 0.000 0.945 560 R CB -0.504 29.877 30.300 0.133 0.000 0.845 560 R HN 0.455 nan 8.270 nan 0.000 0.430 561 F N 0.267 120.186 119.950 -0.052 0.000 2.043 561 F HA -0.279 4.248 4.527 0.000 0.000 0.297 561 F C 1.678 177.266 175.800 -0.354 0.000 1.118 561 F CA 1.916 59.750 58.000 -0.275 0.000 1.202 561 F CB -0.367 38.371 39.000 -0.435 0.000 0.965 561 F HN 0.006 nan 8.300 nan 0.000 0.482 562 F N -0.277 119.806 119.950 0.220 0.000 2.367 562 F HA -0.081 4.446 4.527 0.000 0.000 0.298 562 F C 2.444 178.276 175.800 0.054 0.000 1.094 562 F CA 1.460 59.536 58.000 0.126 0.000 1.409 562 F CB -1.215 37.918 39.000 0.223 0.000 1.064 562 F HN -0.121 nan 8.300 nan 0.000 0.528 563 T N -0.757 113.924 114.554 0.212 0.000 2.812 563 T HA -0.177 4.173 4.350 0.000 0.000 0.264 563 T C 1.915 176.677 174.700 0.103 0.000 1.042 563 T CA 1.195 63.406 62.100 0.186 0.000 1.140 563 T CB -0.283 68.712 68.868 0.211 0.000 0.870 563 T HN 0.273 nan 8.240 nan 0.000 0.445 564 Q N 0.257 120.056 119.800 -0.003 0.000 2.061 564 Q HA -0.084 4.256 4.340 0.000 0.000 0.204 564 Q C 2.341 178.250 176.000 -0.150 0.000 0.984 564 Q CA 1.141 56.890 55.803 -0.090 0.000 0.846 564 Q CB -0.386 28.239 28.738 -0.189 0.000 0.902 564 Q HN 0.301 nan 8.270 nan 0.000 0.421 565 L N 1.393 122.448 121.223 -0.280 0.000 2.012 565 L HA -0.234 4.106 4.340 0.000 0.000 0.210 565 L C 2.214 179.068 176.870 -0.028 0.000 1.073 565 L CA 1.955 56.644 54.840 -0.252 0.000 0.748 565 L CB -0.448 41.372 42.059 -0.399 0.000 0.891 565 L HN 0.043 nan 8.230 nan 0.000 0.431 566 K N -1.312 119.131 120.400 0.071 0.000 2.063 566 K HA -0.199 4.121 4.320 0.000 0.000 0.208 566 K C 2.120 178.796 176.600 0.126 0.000 1.048 566 K CA 1.873 58.240 56.287 0.134 0.000 0.928 566 K CB -0.329 32.281 32.500 0.183 0.000 0.713 566 K HN 0.539 nan 8.250 nan 0.000 0.442 567 C N 0.540 119.918 119.300 0.131 0.000 2.429 567 C HA -0.011 4.449 4.460 0.000 0.000 0.277 567 C C 2.541 177.686 174.990 0.259 0.000 1.262 567 C CA 0.535 59.676 59.018 0.205 0.000 1.733 567 C CB -0.866 26.975 27.740 0.169 0.000 2.010 567 C HN 0.493 nan 8.230 nan 0.000 0.483 568 R N 0.329 120.908 120.500 0.132 0.000 2.148 568 R HA -0.009 4.331 4.340 0.000 0.000 0.227 568 R C 1.910 178.274 176.300 0.106 0.000 1.103 568 R CA 1.083 57.257 56.100 0.124 0.000 0.983 568 R CB -0.261 30.044 30.300 0.007 0.000 0.874 568 R HN 0.595 nan 8.270 nan 0.000 0.451 569 M N -0.200 119.447 119.600 0.078 0.000 2.618 569 M HA 0.015 4.495 4.480 0.000 0.000 0.240 569 M C 1.645 177.945 176.300 -0.001 0.000 1.123 569 M CA 0.424 55.771 55.300 0.078 0.000 1.060 569 M CB 0.123 32.806 32.600 0.138 0.000 1.535 569 M HN 0.033 nan 8.290 nan 0.000 0.507 570 M N 0.445 119.983 119.600 -0.104 0.000 2.149 570 M HA -0.104 4.376 4.480 0.000 0.000 0.261 570 M C -0.706 175.083 176.300 -0.851 0.000 1.064 570 M CA 1.840 56.882 55.300 -0.430 0.000 1.102 570 M CB -2.154 30.206 32.600 -0.400 0.000 1.369 570 M HN 0.011 nan 8.290 nan 0.000 0.408 571 P HA -0.175 nan 4.420 nan 0.000 0.218 571 P C 1.514 178.623 177.300 -0.319 0.000 1.149 571 P CA 1.197 63.883 63.100 -0.690 0.000 0.817 571 P CB -0.389 31.137 31.700 -0.289 0.000 0.785 572 Y N 0.300 120.440 120.300 -0.266 0.000 2.153 572 Y HA -0.132 4.418 4.550 0.000 0.000 0.289 572 Y C 2.009 177.806 175.900 -0.173 0.000 1.127 572 Y CA 1.323 59.334 58.100 -0.149 0.000 1.131 572 Y CB -1.176 37.239 38.460 -0.075 0.000 0.995 572 Y HN -0.266 nan 8.280 nan 0.000 0.505 573 L N -0.426 120.574 121.223 -0.371 0.000 2.046 573 L HA -0.232 4.108 4.340 0.000 0.000 0.208 573 L C 2.283 178.887 176.870 -0.444 0.000 1.077 573 L CA 1.803 56.389 54.840 -0.425 0.000 0.747 573 L CB -1.826 40.122 42.059 -0.185 0.000 0.896 573 L HN 0.392 nan 8.230 nan 0.000 0.432 574 Y N -0.024 119.869 120.300 -0.678 0.000 2.352 574 Y HA -0.231 4.319 4.550 0.000 0.000 0.292 574 Y C 2.718 178.390 175.900 -0.380 0.000 1.136 574 Y CA 1.273 58.986 58.100 -0.644 0.000 1.227 574 Y CB -0.059 37.883 38.460 -0.864 0.000 0.991 574 Y HN 0.104 nan 8.280 nan 0.000 0.545 575 R N 0.861 121.182 120.500 -0.298 0.000 2.075 575 R HA -0.121 4.219 4.340 0.000 0.000 0.232 575 R C 1.853 178.005 176.300 -0.246 0.000 1.126 575 R CA 1.944 57.914 56.100 -0.216 0.000 0.963 575 R CB -0.481 29.726 30.300 -0.156 0.000 0.858 575 R HN 0.192 nan 8.270 nan 0.000 0.435 576 E N 0.433 120.431 120.200 -0.336 0.000 2.110 576 E HA -0.101 4.249 4.350 0.000 0.000 0.193 576 E C 1.913 178.403 176.600 -0.184 0.000 0.988 576 E CA 1.336 57.564 56.400 -0.285 0.000 0.804 576 E CB -0.522 28.933 29.700 -0.409 0.000 0.745 576 E HN 0.446 nan 8.360 nan 0.000 0.458 577 A N 1.622 124.342 122.820 -0.166 0.000 1.948 577 A HA -0.159 4.161 4.320 0.000 0.000 0.220 577 A C 2.421 180.010 177.584 0.008 0.000 1.177 577 A CA 2.243 54.318 52.037 0.064 0.000 0.636 577 A CB -0.587 18.384 19.000 -0.048 0.000 0.815 577 A HN 0.277 nan 8.150 nan 0.000 0.449 578 A N -0.857 121.858 122.820 -0.176 0.000 1.969 578 A HA -0.100 4.220 4.320 0.000 0.000 0.218 578 A C 2.198 179.738 177.584 -0.073 0.000 1.169 578 A CA 1.378 53.346 52.037 -0.115 0.000 0.635 578 A CB -0.441 18.481 19.000 -0.131 0.000 0.810 578 A HN 0.534 nan 8.150 nan 0.000 0.445 579 R N -0.515 119.926 120.500 -0.099 0.000 2.083 579 R HA -0.165 4.175 4.340 0.000 0.000 0.237 579 R C 2.470 178.702 176.300 -0.114 0.000 1.137 579 R CA 1.353 57.392 56.100 -0.102 0.000 0.951 579 R CB -0.422 29.807 30.300 -0.118 0.000 0.851 579 R HN 0.517 nan 8.270 nan 0.000 0.434 580 A N 1.247 123.978 122.820 -0.148 0.000 1.892 580 A HA -0.261 4.059 4.320 0.000 0.000 0.218 580 A C 1.939 179.450 177.584 -0.121 0.000 1.188 580 A CA 1.872 53.774 52.037 -0.226 0.000 0.631 580 A CB -0.933 17.747 19.000 -0.534 0.000 0.822 580 A HN 0.520 nan 8.150 nan 0.000 0.447 581 N N -0.056 118.638 118.700 -0.011 0.000 2.188 581 N HA -0.096 4.644 4.740 0.000 0.000 0.184 581 N C 1.862 177.348 175.510 -0.041 0.000 1.018 581 N CA 1.402 54.458 53.050 0.010 0.000 0.858 581 N CB -0.171 38.352 38.487 0.060 0.000 0.989 581 N HN 0.396 nan 8.380 nan 0.000 0.426 582 A N 0.557 123.347 122.820 -0.050 0.000 1.903 582 A HA 0.108 4.428 4.320 0.000 0.000 0.213 582 A C 2.061 179.603 177.584 -0.070 0.000 1.185 582 A CA 0.689 52.694 52.037 -0.053 0.000 0.628 582 A CB 0.024 18.995 19.000 -0.048 0.000 0.830 582 A HN 0.245 nan 8.150 nan 0.000 0.446 583 R N -2.081 118.368 120.500 -0.084 0.000 2.509 583 R HA 0.241 4.581 4.340 0.000 0.000 0.297 583 R C 0.847 177.081 176.300 -0.110 0.000 0.951 583 R CA 0.519 56.566 56.100 -0.090 0.000 1.103 583 R CB 0.595 30.845 30.300 -0.082 0.000 1.283 583 R HN 0.643 nan 8.270 nan 0.000 0.534 584 G N 1.654 110.374 108.800 -0.133 0.000 2.179 584 G HA2 -0.269 3.691 3.960 0.000 0.000 0.257 584 G HA3 -0.269 3.691 3.960 0.000 0.000 0.257 584 G C 0.063 174.865 174.900 -0.163 0.000 1.010 584 G CA 0.718 45.721 45.100 -0.163 0.000 0.736 584 G HN 0.253 nan 8.290 nan 0.000 0.513 585 T N 3.335 117.795 114.554 -0.158 0.000 2.723 585 T HA 0.495 4.845 4.350 0.000 0.000 0.297 585 T C -1.769 172.811 174.700 -0.199 0.000 0.925 585 T CA -0.682 61.326 62.100 -0.153 0.000 1.030 585 T CB 2.015 70.806 68.868 -0.127 0.000 0.905 585 T HN 0.259 nan 8.240 nan 0.000 0.502 586 P HA 0.193 nan 4.420 nan 0.000 0.271 586 P C 0.840 178.036 177.300 -0.173 0.000 1.218 586 P CA -0.392 62.567 63.100 -0.236 0.000 0.780 586 P CB 0.819 32.415 31.700 -0.174 0.000 0.901 587 M N 1.005 120.494 119.600 -0.184 0.000 2.117 587 M HA -0.065 4.415 4.480 0.000 0.000 0.262 587 M C 1.419 177.752 176.300 0.055 0.000 1.065 587 M CA 1.815 57.092 55.300 -0.039 0.000 1.114 587 M CB -0.162 32.477 32.600 0.066 0.000 1.361 587 M HN 0.387 nan 8.290 nan 0.000 0.408 588 M N 1.406 121.030 119.600 0.040 0.000 2.063 588 M HA 0.285 4.765 4.480 0.000 0.000 0.348 588 M C -1.097 175.193 176.300 -0.016 0.000 1.180 588 M CA -0.047 55.279 55.300 0.043 0.000 1.059 588 M CB 0.501 33.044 32.600 -0.095 0.000 1.544 588 M HN 0.015 nan 8.290 nan 0.000 0.447 589 R N 3.899 124.443 120.500 0.073 0.000 2.387 589 R HA 0.659 4.999 4.340 0.000 0.000 0.314 589 R C -0.366 175.968 176.300 0.057 0.000 0.958 589 R CA -0.668 55.444 56.100 0.020 0.000 0.846 589 R CB 1.732 32.039 30.300 0.012 0.000 1.147 589 R HN 0.831 nan 8.270 nan 0.000 0.447 590 A N 3.712 126.517 122.820 -0.025 0.000 2.498 590 A HA 0.047 4.367 4.320 0.000 0.000 0.239 590 A C 1.364 178.958 177.584 0.017 0.000 1.068 590 A CA -0.259 51.767 52.037 -0.019 0.000 0.766 590 A CB 0.206 19.139 19.000 -0.112 0.000 1.003 590 A HN 0.791 nan 8.150 nan 0.000 0.497 591 M N 1.879 121.524 119.600 0.075 0.000 2.143 591 M HA -0.246 4.234 4.480 0.000 0.000 0.258 591 M C 1.939 178.327 176.300 0.147 0.000 1.071 591 M CA 2.370 57.769 55.300 0.166 0.000 1.088 591 M CB -1.446 31.226 32.600 0.119 0.000 1.360 591 M HN 0.989 nan 8.290 nan 0.000 0.404 592 M N -1.647 117.942 119.600 -0.018 0.000 2.374 592 M HA -0.053 4.427 4.480 0.000 0.000 0.264 592 M C 2.039 178.258 176.300 -0.135 0.000 1.067 592 M CA 1.613 56.854 55.300 -0.098 0.000 1.103 592 M CB -1.062 31.375 32.600 -0.272 0.000 1.402 592 M HN 0.239 nan 8.290 nan 0.000 0.444 593 M N 0.034 119.542 119.600 -0.152 0.000 2.156 593 M HA -0.128 4.352 4.480 0.000 0.000 0.264 593 M C 1.996 178.214 176.300 -0.136 0.000 1.067 593 M CA 1.974 57.180 55.300 -0.156 0.000 1.131 593 M CB -0.012 32.499 32.600 -0.149 0.000 1.368 593 M HN 0.421 nan 8.290 nan 0.000 0.416 594 E N -0.005 120.117 120.200 -0.131 0.000 2.170 594 E HA -0.021 4.329 4.350 0.000 0.000 0.191 594 E C -0.351 175.890 176.600 -0.598 0.000 0.981 594 E CA 1.020 57.207 56.400 -0.356 0.000 0.830 594 E CB 0.170 29.639 29.700 -0.386 0.000 0.775 594 E HN 0.525 nan 8.360 nan 0.000 0.470 595 F N 0.525 120.484 119.950 0.015 0.000 2.523 595 F HA 0.334 4.861 4.527 0.000 0.000 0.322 595 F C -1.813 173.984 175.800 -0.004 0.000 1.361 595 F CA -1.827 56.193 58.000 0.033 0.000 1.151 595 F CB 1.693 40.746 39.000 0.088 0.000 1.391 595 F HN -0.018 nan 8.300 nan 0.000 0.566 596 P HA -0.064 nan 4.420 nan 0.000 0.229 596 P C 0.321 177.641 177.300 0.034 0.000 1.160 596 P CA 1.131 64.238 63.100 0.012 0.000 0.777 596 P CB 0.440 32.119 31.700 -0.035 0.000 0.814 597 D N -0.550 119.892 120.400 0.071 0.000 2.368 597 D HA 0.031 4.671 4.640 0.000 0.000 0.218 597 D C 0.051 176.398 176.300 0.079 0.000 1.112 597 D CA 0.371 54.410 54.000 0.064 0.000 0.834 597 D CB 0.051 40.889 40.800 0.062 0.000 0.953 597 D HN 0.133 nan 8.370 nan 0.000 0.505 598 D N 1.388 121.847 120.400 0.099 0.000 2.412 598 D HA 0.105 4.745 4.640 0.000 0.000 0.224 598 D C -1.468 174.840 176.300 0.014 0.000 1.093 598 D CA -2.113 51.934 54.000 0.078 0.000 0.850 598 D CB 2.080 42.952 40.800 0.121 0.000 1.046 598 D HN -0.095 nan 8.370 nan 0.000 0.507 599 P HA -0.092 nan 4.420 nan 0.000 0.225 599 P C 0.928 178.198 177.300 -0.050 0.000 1.148 599 P CA 0.460 63.556 63.100 -0.006 0.000 0.779 599 P CB 0.282 31.990 31.700 0.013 0.000 0.780 600 A N -0.703 122.017 122.820 -0.165 0.000 2.119 600 A HA -0.063 4.257 4.320 0.000 0.000 0.217 600 A C 2.086 179.445 177.584 -0.374 0.000 1.153 600 A CA 0.892 52.715 52.037 -0.357 0.000 0.692 600 A CB -1.389 17.104 19.000 -0.845 0.000 0.799 600 A HN 0.268 nan 8.150 nan 0.000 0.458 601 C N -0.163 118.996 119.300 -0.235 0.000 2.626 601 C HA 0.087 4.547 4.460 0.000 0.000 0.266 601 C C 1.722 176.693 174.990 -0.032 0.000 1.317 601 C CA -0.088 58.856 59.018 -0.123 0.000 1.716 601 C CB -1.052 26.676 27.740 -0.021 0.000 1.819 601 C HN 0.535 nan 8.230 nan 0.000 0.578 602 D N 0.576 120.967 120.400 -0.014 0.000 2.144 602 D HA -0.094 4.546 4.640 0.000 0.000 0.199 602 D C 1.002 177.206 176.300 -0.159 0.000 0.984 602 D CA 1.571 55.517 54.000 -0.090 0.000 0.834 602 D CB -0.035 40.655 40.800 -0.184 0.000 0.955 602 D HN 0.587 nan 8.370 nan 0.000 0.465 603 Y N -0.420 119.925 120.300 0.075 0.000 2.557 603 Y HA 0.304 4.854 4.550 0.000 0.000 0.247 603 Y C 0.297 176.238 175.900 0.067 0.000 1.164 603 Y CA -0.382 57.759 58.100 0.069 0.000 1.218 603 Y CB 0.350 38.826 38.460 0.027 0.000 1.210 603 Y HN -0.236 nan 8.280 nan 0.000 0.529 604 L N 2.720 124.046 121.223 0.171 0.000 2.418 604 L HA 0.085 4.425 4.340 0.000 0.000 0.274 604 L C 0.436 177.368 176.870 0.103 0.000 1.135 604 L CA 0.308 55.227 54.840 0.132 0.000 0.870 604 L CB 0.496 42.589 42.059 0.057 0.000 1.154 604 L HN 0.301 nan 8.230 nan 0.000 0.462 605 D N 1.473 121.931 120.400 0.097 0.000 2.525 605 D HA -0.002 4.638 4.640 0.000 0.000 0.231 605 D C 1.129 177.446 176.300 0.028 0.000 1.216 605 D CA -0.126 53.904 54.000 0.050 0.000 0.813 605 D CB 0.346 41.165 40.800 0.032 0.000 1.108 605 D HN 0.392 nan 8.370 nan 0.000 0.524 606 R N 0.454 120.991 120.500 0.061 0.000 2.509 606 R HA 0.231 4.571 4.340 0.000 0.000 0.300 606 R C 0.242 176.651 176.300 0.182 0.000 0.985 606 R CA -0.025 56.124 56.100 0.081 0.000 1.092 606 R CB 0.630 30.939 30.300 0.015 0.000 1.237 606 R HN 0.377 nan 8.270 nan 0.000 0.546 607 Q N -0.044 119.842 119.800 0.142 0.000 2.534 607 Q HA 0.418 4.758 4.340 0.000 0.000 0.290 607 Q C -1.467 174.646 176.000 0.188 0.000 0.991 607 Q CA -1.167 54.686 55.803 0.083 0.000 0.783 607 Q CB 1.661 30.384 28.738 -0.026 0.000 1.470 607 Q HN 0.086 nan 8.270 nan 0.000 0.406 608 Y N -1.664 118.637 120.300 0.002 0.000 2.670 608 Y HA 0.709 5.259 4.550 0.000 0.000 0.334 608 Y C -1.335 174.607 175.900 0.071 0.000 1.185 608 Y CA -1.626 56.496 58.100 0.036 0.000 1.053 608 Y CB 1.365 39.853 38.460 0.046 0.000 1.298 608 Y HN 0.497 nan 8.280 nan 0.000 0.459 609 M N 2.816 122.575 119.600 0.265 0.000 2.300 609 M HA 0.369 4.849 4.480 0.000 0.000 0.348 609 M C -1.339 175.152 176.300 0.319 0.000 1.151 609 M CA -0.703 54.733 55.300 0.227 0.000 1.046 609 M CB 1.504 34.236 32.600 0.220 0.000 1.647 609 M HN 0.742 nan 8.290 nan 0.000 0.451 610 L N 3.466 124.862 121.223 0.289 0.000 2.313 610 L HA 0.643 4.983 4.340 0.000 0.000 0.273 610 L C 0.424 177.462 176.870 0.280 0.000 1.028 610 L CA 0.641 55.680 54.840 0.332 0.000 0.871 610 L CB 0.213 42.494 42.059 0.371 0.000 1.242 610 L HN 0.970 nan 8.230 nan 0.000 0.434 611 G N 3.768 112.654 108.800 0.144 0.000 2.752 611 G HA2 -0.298 3.662 3.960 0.000 0.000 0.234 611 G HA3 -0.298 3.662 3.960 0.000 0.000 0.234 611 G C 0.383 175.366 174.900 0.139 0.000 1.367 611 G CA 0.052 45.185 45.100 0.055 0.000 0.879 611 G HN 0.543 nan 8.290 nan 0.000 0.563 612 D N 0.407 120.874 120.400 0.111 0.000 2.178 612 D HA -0.054 4.586 4.640 0.000 0.000 0.201 612 D C 2.026 178.394 176.300 0.113 0.000 0.980 612 D CA 1.635 55.676 54.000 0.069 0.000 0.842 612 D CB 0.002 40.828 40.800 0.043 0.000 0.948 612 D HN 0.376 nan 8.370 nan 0.000 0.472 613 N N -0.405 118.421 118.700 0.209 0.000 2.181 613 N HA 0.039 4.779 4.740 0.000 0.000 0.207 613 N C -0.019 175.527 175.510 0.059 0.000 1.182 613 N CA 0.016 53.111 53.050 0.076 0.000 0.893 613 N CB 2.197 40.665 38.487 -0.031 0.000 1.032 613 N HN 0.082 nan 8.380 nan 0.000 0.513 614 V N 0.570 120.565 119.914 0.136 0.000 2.540 614 V HA 0.567 4.687 4.120 0.000 0.000 0.302 614 V C -0.656 175.516 176.094 0.130 0.000 1.035 614 V CA -0.766 61.589 62.300 0.091 0.000 0.873 614 V CB 2.383 34.162 31.823 -0.073 0.000 0.992 614 V HN -0.093 nan 8.190 nan 0.000 0.428 615 M N 7.292 126.947 119.600 0.092 0.000 2.129 615 M HA 0.552 5.032 4.480 0.000 0.000 0.348 615 M C -1.164 174.979 176.300 -0.263 0.000 1.116 615 M CA -0.347 54.905 55.300 -0.080 0.000 1.022 615 M CB 1.153 33.630 32.600 -0.205 0.000 1.599 615 M HN 0.900 nan 8.290 nan 0.000 0.449 616 V N 5.085 124.727 119.914 -0.453 0.000 2.513 616 V HA 0.917 5.037 4.120 0.000 0.000 0.299 616 V C -0.938 174.796 176.094 -0.601 0.000 1.035 616 V CA -0.355 61.605 62.300 -0.567 0.000 0.889 616 V CB 1.585 33.107 31.823 -0.501 0.000 0.988 616 V HN 0.964 nan 8.190 nan 0.000 0.440 617 A N 7.543 130.087 122.820 -0.460 0.000 2.536 617 A HA 0.837 5.157 4.320 0.000 0.000 0.329 617 A C -2.707 174.722 177.584 -0.258 0.000 1.321 617 A CA -1.718 50.129 52.037 -0.316 0.000 0.804 617 A CB 0.576 19.355 19.000 -0.367 0.000 1.126 617 A HN 0.758 nan 8.150 nan 0.000 0.480 618 P HA 0.172 nan 4.420 nan 0.000 0.270 618 P C -0.314 176.710 177.300 -0.459 0.000 1.227 618 P CA -0.014 62.845 63.100 -0.402 0.000 0.788 618 P CB 0.640 31.896 31.700 -0.739 0.000 0.926 619 V N 2.309 121.961 119.914 -0.437 0.000 2.347 619 V HA 0.229 4.349 4.120 0.000 0.000 0.280 619 V C 0.150 175.988 176.094 -0.427 0.000 1.021 619 V CA 0.098 62.227 62.300 -0.286 0.000 0.847 619 V CB 0.186 31.942 31.823 -0.111 0.000 0.990 619 V HN 0.406 nan 8.190 nan 0.000 0.444 620 F N 2.833 122.678 119.950 -0.175 0.000 2.837 620 F HA 0.316 4.843 4.527 0.000 0.000 0.298 620 F C 0.989 176.294 175.800 -0.826 0.000 1.161 620 F CA -0.285 57.504 58.000 -0.352 0.000 1.353 620 F CB 0.578 39.484 39.000 -0.157 0.000 0.951 620 F HN 0.554 nan 8.300 nan 0.000 0.508 621 T N -4.676 109.502 114.554 -0.627 0.000 2.933 621 T HA 0.260 4.610 4.350 0.000 0.000 0.305 621 T C 0.636 175.189 174.700 -0.245 0.000 1.092 621 T CA -0.748 61.044 62.100 -0.513 0.000 1.008 621 T CB 2.311 71.082 68.868 -0.161 0.000 1.102 621 T HN 0.192 nan 8.240 nan 0.000 0.469 622 E N 1.897 122.094 120.200 -0.006 0.000 2.023 622 E HA -0.156 4.194 4.350 0.000 0.000 0.196 622 E C 2.313 178.931 176.600 0.030 0.000 1.003 622 E CA 1.675 58.180 56.400 0.174 0.000 0.809 622 E CB -0.506 29.143 29.700 -0.085 0.000 0.755 622 E HN 0.831 nan 8.360 nan 0.000 0.449 623 A N -0.272 122.534 122.820 -0.024 0.000 2.024 623 A HA -0.041 4.279 4.320 0.000 0.000 0.220 623 A C 2.017 179.547 177.584 -0.090 0.000 1.164 623 A CA 1.903 53.910 52.037 -0.050 0.000 0.643 623 A CB -0.748 18.237 19.000 -0.025 0.000 0.806 623 A HN 0.670 nan 8.150 nan 0.000 0.451 624 G N -1.387 107.367 108.800 -0.077 0.000 2.184 624 G HA2 -0.163 3.798 3.960 0.000 0.000 0.206 624 G HA3 -0.163 3.798 3.960 0.000 0.000 0.206 624 G C -0.389 174.534 174.900 0.038 0.000 0.995 624 G CA 0.101 45.172 45.100 -0.049 0.000 0.651 624 G HN 0.493 nan 8.290 nan 0.000 0.511 625 D N 0.398 120.813 120.400 0.024 0.000 2.458 625 D HA 0.407 5.047 4.640 0.000 0.000 0.243 625 D C 0.108 176.468 176.300 0.099 0.000 1.146 625 D CA 0.823 54.860 54.000 0.062 0.000 0.877 625 D CB 2.281 43.099 40.800 0.031 0.000 1.176 625 D HN 0.529 nan 8.370 nan 0.000 0.461 626 V N 2.189 122.205 119.914 0.170 0.000 2.891 626 V HA 0.247 4.367 4.120 0.000 0.000 0.304 626 V C -1.622 174.656 176.094 0.307 0.000 1.171 626 V CA -0.583 61.856 62.300 0.232 0.000 0.943 626 V CB 2.265 34.221 31.823 0.222 0.000 1.037 626 V HN 0.466 nan 8.190 nan 0.000 0.427 627 Q N 5.181 125.181 119.800 0.333 0.000 2.365 627 Q HA 0.791 5.131 4.340 0.000 0.000 0.269 627 Q C -1.557 174.785 176.000 0.571 0.000 1.061 627 Q CA -0.535 55.483 55.803 0.358 0.000 0.816 627 Q CB 2.853 31.746 28.738 0.258 0.000 1.325 627 Q HN 0.770 nan 8.270 nan 0.000 0.446 628 F N -1.232 118.902 119.950 0.307 0.000 2.693 628 F HA 0.514 5.041 4.527 0.000 0.000 0.309 628 F C -2.013 173.397 175.800 -0.649 0.000 1.129 628 F CA -1.326 56.563 58.000 -0.186 0.000 0.948 628 F CB 0.902 39.802 39.000 -0.167 0.000 1.315 628 F HN 0.483 nan 8.300 nan 0.000 0.447 629 Y N 2.726 122.373 120.300 -1.088 0.000 2.342 629 Y HA 0.756 5.306 4.550 0.000 0.000 0.334 629 Y C -1.683 173.825 175.900 -0.654 0.000 1.067 629 Y CA -1.194 56.178 58.100 -1.213 0.000 1.128 629 Y CB 1.476 39.041 38.460 -1.491 0.000 1.200 629 Y HN 0.740 nan 8.280 nan 0.000 0.464 630 L N 9.306 129.641 121.223 -1.480 0.000 2.319 630 L HA 0.548 4.888 4.340 0.000 0.000 0.281 630 L C -2.334 173.695 176.870 -1.403 0.000 1.005 630 L CA -2.804 51.240 54.840 -1.327 0.000 0.828 630 L CB 1.282 42.743 42.059 -0.998 0.000 1.227 630 L HN 0.586 nan 8.230 nan 0.000 0.415 631 P HA 0.004 nan 4.420 nan 0.000 0.271 631 P C -0.423 176.879 177.300 0.004 0.000 1.244 631 P CA -0.435 62.423 63.100 -0.404 0.000 0.793 631 P CB 0.415 31.660 31.700 -0.758 0.000 0.984 632 E N 0.279 120.515 120.200 0.061 0.000 2.765 632 E HA 0.209 4.559 4.350 0.000 0.000 0.256 632 E C 0.309 177.009 176.600 0.166 0.000 0.935 632 E CA 0.836 57.306 56.400 0.116 0.000 0.954 632 E CB -0.564 29.196 29.700 0.100 0.000 0.908 632 E HN 0.662 nan 8.360 nan 0.000 0.500 633 G N 3.350 112.232 108.800 0.137 0.000 2.361 633 G HA2 -0.070 3.890 3.960 0.000 0.000 0.331 633 G HA3 -0.070 3.890 3.960 0.000 0.000 0.331 633 G C -1.327 173.609 174.900 0.059 0.000 1.324 633 G CA -0.642 44.454 45.100 -0.007 0.000 0.984 633 G HN 0.604 nan 8.290 nan 0.000 0.586 634 R N -0.225 120.240 120.500 -0.059 0.000 2.215 634 R HA 0.579 4.919 4.340 0.000 0.000 0.336 634 R C -0.938 175.365 176.300 0.004 0.000 0.996 634 R CA -0.687 55.440 56.100 0.046 0.000 0.847 634 R CB 0.510 30.826 30.300 0.026 0.000 1.127 634 R HN 0.462 nan 8.270 nan 0.000 0.465 635 W N 2.210 123.500 121.300 -0.017 0.000 2.516 635 W HA 0.407 5.067 4.660 0.000 0.000 0.343 635 W C -0.222 176.391 176.519 0.156 0.000 1.094 635 W CA -0.429 56.935 57.345 0.031 0.000 1.250 635 W CB 1.967 31.419 29.460 -0.013 0.000 1.308 635 W HN 0.332 nan 8.180 nan 0.000 0.588 636 T N 1.722 116.508 114.554 0.386 0.000 2.841 636 T HA 0.109 4.459 4.350 0.000 0.000 0.285 636 T C -0.535 174.239 174.700 0.124 0.000 0.991 636 T CA -0.627 61.669 62.100 0.325 0.000 0.966 636 T CB 0.840 69.937 68.868 0.382 0.000 0.962 636 T HN 0.294 nan 8.240 nan 0.000 0.438 637 H N 2.684 121.657 119.070 -0.161 0.000 2.972 637 H HA 0.045 4.601 4.556 0.000 0.000 0.343 637 H C 0.845 175.969 175.328 -0.340 0.000 1.054 637 H CA -0.199 55.431 56.048 -0.696 0.000 1.412 637 H CB 0.837 30.148 29.762 -0.751 0.000 1.385 637 H HN 0.501 nan 8.280 nan 0.000 0.600 638 L N 5.479 126.381 121.223 -0.536 0.000 2.046 638 L HA -0.150 4.190 4.340 0.000 0.000 0.208 638 L C 1.809 178.803 176.870 0.207 0.000 1.077 638 L CA 2.153 56.924 54.840 -0.115 0.000 0.747 638 L CB -0.531 41.499 42.059 -0.048 0.000 0.896 638 L HN 0.840 nan 8.230 nan 0.000 0.432 639 W N -4.678 116.727 121.300 0.176 0.000 2.773 639 W HA 0.279 4.939 4.660 0.000 0.000 0.297 639 W C 1.773 178.312 176.519 0.033 0.000 1.050 639 W CA -0.140 57.243 57.345 0.064 0.000 1.467 639 W CB -0.681 28.775 29.460 -0.006 0.000 0.977 639 W HN -0.054 nan 8.180 nan 0.000 0.573 640 H N 1.048 119.951 119.070 -0.278 0.000 2.482 640 H HA 0.025 4.581 4.556 0.000 0.000 0.286 640 H C 0.869 176.158 175.328 -0.066 0.000 1.017 640 H CA 1.263 57.131 56.048 -0.299 0.000 1.322 640 H CB -0.293 29.031 29.762 -0.730 0.000 1.426 640 H HN 0.220 nan 8.280 nan 0.000 0.546 641 N N 0.996 119.775 118.700 0.133 0.000 2.863 641 N HA -0.169 4.571 4.740 0.000 0.000 0.245 641 N C -0.613 174.992 175.510 0.158 0.000 1.001 641 N CA 0.981 54.132 53.050 0.169 0.000 0.901 641 N CB -1.050 37.529 38.487 0.152 0.000 1.124 641 N HN 0.677 nan 8.380 nan 0.000 0.582 642 D N -0.002 120.485 120.400 0.145 0.000 2.362 642 D HA 0.107 4.747 4.640 0.000 0.000 0.242 642 D C -0.238 176.214 176.300 0.253 0.000 1.132 642 D CA 0.316 54.409 54.000 0.155 0.000 0.907 642 D CB 0.887 41.754 40.800 0.112 0.000 1.195 642 D HN 0.324 nan 8.370 nan 0.000 0.429 643 E N 0.398 120.714 120.200 0.193 0.000 2.227 643 E HA 0.570 4.920 4.350 0.000 0.000 0.268 643 E C -0.706 175.954 176.600 0.101 0.000 0.907 643 E CA -0.867 55.648 56.400 0.193 0.000 0.786 643 E CB 2.313 32.098 29.700 0.141 0.000 1.191 643 E HN 0.363 nan 8.360 nan 0.000 0.411 644 L N 1.893 123.143 121.223 0.045 0.000 2.422 644 L HA 0.401 4.741 4.340 0.000 0.000 0.264 644 L C -0.584 176.275 176.870 -0.019 0.000 0.984 644 L CA -1.037 53.709 54.840 -0.157 0.000 0.819 644 L CB 2.038 43.704 42.059 -0.654 0.000 1.330 644 L HN 0.401 nan 8.230 nan 0.000 0.410 645 D N 1.228 121.643 120.400 0.026 0.000 2.313 645 D HA 0.383 5.023 4.640 0.000 0.000 0.247 645 D C 0.116 176.489 176.300 0.122 0.000 1.094 645 D CA 0.109 54.168 54.000 0.097 0.000 0.925 645 D CB 2.284 43.129 40.800 0.076 0.000 1.188 645 D HN 0.676 nan 8.370 nan 0.000 0.430 646 G N -1.040 107.827 108.800 0.111 0.000 2.702 646 G HA2 0.339 4.299 3.960 0.000 0.000 0.254 646 G HA3 0.339 4.299 3.960 0.000 0.000 0.254 646 G C -0.009 174.837 174.900 -0.089 0.000 1.380 646 G CA -0.430 44.661 45.100 -0.015 0.000 1.042 646 G HN 0.451 nan 8.290 nan 0.000 0.557 647 S N -1.473 114.111 115.700 -0.194 0.000 3.561 647 S HA -0.178 4.292 4.470 0.000 0.000 0.318 647 S C 0.396 174.967 174.600 -0.048 0.000 1.181 647 S CA 1.739 59.902 58.200 -0.062 0.000 0.916 647 S CB -1.444 61.779 63.200 0.039 0.000 0.966 647 S HN 1.136 nan 8.310 nan 0.000 0.550 648 R N -1.856 118.442 120.500 -0.337 0.000 2.733 648 R HA 0.592 4.932 4.340 0.000 0.000 0.272 648 R C -1.409 174.593 176.300 -0.498 0.000 1.029 648 R CA -1.131 54.839 56.100 -0.217 0.000 0.888 648 R CB 0.380 30.529 30.300 -0.252 0.000 1.251 648 R HN 0.116 nan 8.270 nan 0.000 0.464 649 W N 0.810 121.880 121.300 -0.383 0.000 2.283 649 W HA 0.431 5.091 4.660 0.000 0.000 0.341 649 W C 0.359 176.330 176.519 -0.914 0.000 1.206 649 W CA 0.446 57.507 57.345 -0.474 0.000 1.294 649 W CB 0.790 30.109 29.460 -0.235 0.000 1.154 649 W HN 0.310 nan 8.180 nan 0.000 0.613 650 H N 1.229 120.066 119.070 -0.388 0.000 2.851 650 H HA 0.353 4.909 4.556 0.000 0.000 0.372 650 H C -1.108 173.957 175.328 -0.438 0.000 1.158 650 H CA -1.136 54.587 56.048 -0.541 0.000 1.159 650 H CB 2.469 31.676 29.762 -0.925 0.000 1.757 650 H HN 0.252 nan 8.280 nan 0.000 0.546 651 K N 2.102 122.449 120.400 -0.090 0.000 2.345 651 K HA 0.394 4.714 4.320 0.000 0.000 0.255 651 K C -1.053 175.598 176.600 0.085 0.000 0.934 651 K CA -0.403 55.892 56.287 0.013 0.000 0.801 651 K CB 1.823 34.327 32.500 0.006 0.000 1.137 651 K HN 0.635 nan 8.250 nan 0.000 0.424 652 Q N 1.446 121.362 119.800 0.195 0.000 2.615 652 Q HA 0.297 4.637 4.340 0.000 0.000 0.298 652 Q C -1.615 174.497 176.000 0.187 0.000 1.023 652 Q CA -1.069 54.859 55.803 0.209 0.000 0.768 652 Q CB 2.727 31.716 28.738 0.418 0.000 1.500 652 Q HN 0.447 nan 8.270 nan 0.000 0.441 653 Q N 1.037 120.870 119.800 0.055 0.000 2.285 653 Q HA 0.340 4.680 4.340 0.000 0.000 0.269 653 Q C -1.789 174.130 176.000 -0.135 0.000 1.030 653 Q CA -0.283 55.537 55.803 0.029 0.000 0.788 653 Q CB 1.581 30.305 28.738 -0.023 0.000 1.266 653 Q HN 0.686 nan 8.270 nan 0.000 0.438 654 H N 1.452 120.511 119.070 -0.019 0.000 2.600 654 H HA 0.380 4.936 4.556 0.000 0.000 0.357 654 H C 0.010 175.279 175.328 -0.098 0.000 1.106 654 H CA -0.420 55.617 56.048 -0.018 0.000 1.193 654 H CB 2.136 31.929 29.762 0.052 0.000 1.594 654 H HN 0.839 nan 8.280 nan 0.000 0.526 655 G N 0.623 109.418 108.800 -0.008 0.000 2.588 655 G HA2 0.088 4.048 3.960 0.000 0.000 0.278 655 G HA3 0.088 4.048 3.960 0.000 0.000 0.278 655 G C 0.242 175.120 174.900 -0.037 0.000 1.307 655 G CA -0.327 44.691 45.100 -0.137 0.000 1.016 655 G HN 0.475 nan 8.290 nan 0.000 0.503 656 F N -1.303 118.751 119.950 0.173 0.000 2.661 656 F HA 0.130 4.657 4.527 0.000 0.000 0.298 656 F C 2.094 178.038 175.800 0.241 0.000 1.137 656 F CA 0.105 58.229 58.000 0.207 0.000 1.454 656 F CB 0.078 39.197 39.000 0.199 0.000 1.103 656 F HN 0.052 nan 8.300 nan 0.000 0.577 657 L N -1.171 120.205 121.223 0.255 0.000 2.629 657 L HA 0.212 4.552 4.340 0.000 0.000 0.230 657 L C 0.498 177.408 176.870 0.067 0.000 1.151 657 L CA 0.138 54.931 54.840 -0.077 0.000 0.924 657 L CB -0.829 40.993 42.059 -0.395 0.000 1.137 657 L HN -0.033 nan 8.230 nan 0.000 0.457 658 S N -0.389 115.589 115.700 0.462 0.000 2.579 658 S HA 0.860 5.330 4.470 0.000 0.000 0.272 658 S C -1.150 173.749 174.600 0.497 0.000 1.141 658 S CA -0.631 57.986 58.200 0.696 0.000 0.843 658 S CB 1.224 64.855 63.200 0.718 0.000 1.122 658 S HN 0.117 nan 8.310 nan 0.000 0.468 659 L N -0.344 121.078 121.223 0.333 0.000 2.720 659 L HA 0.771 5.111 4.340 0.000 0.000 0.261 659 L C -3.094 173.544 176.870 -0.386 0.000 1.046 659 L CA -2.598 52.069 54.840 -0.289 0.000 0.886 659 L CB 1.594 43.584 42.059 -0.116 0.000 1.493 659 L HN 0.331 nan 8.230 nan 0.000 0.407 660 P HA 0.166 nan 4.420 nan 0.000 0.264 660 P C -0.874 176.142 177.300 -0.473 0.000 1.229 660 P CA 0.159 63.003 63.100 -0.428 0.000 0.780 660 P CB 0.682 31.839 31.700 -0.906 0.000 0.808 661 V N 5.955 125.410 119.914 -0.765 0.000 2.385 661 V HA 0.283 4.403 4.120 0.000 0.000 0.277 661 V C -0.746 174.774 176.094 -0.956 0.000 1.012 661 V CA -0.516 61.372 62.300 -0.686 0.000 0.832 661 V CB 0.098 31.628 31.823 -0.488 0.000 1.028 661 V HN 0.370 nan 8.190 nan 0.000 0.436 662 Y N 2.350 122.398 120.300 -0.420 0.000 2.377 662 Y HA 0.666 5.216 4.550 0.000 0.000 0.339 662 Y C 0.142 176.060 175.900 0.030 0.000 1.011 662 Y CA -0.793 57.186 58.100 -0.201 0.000 1.093 662 Y CB 2.267 40.634 38.460 -0.155 0.000 1.201 662 Y HN 0.347 nan 8.280 nan 0.000 0.455 663 V N 4.615 124.556 119.914 0.044 0.000 2.435 663 V HA 0.405 4.525 4.120 0.000 0.000 0.290 663 V C 0.199 176.149 176.094 -0.240 0.000 1.030 663 V CA -1.262 60.891 62.300 -0.245 0.000 0.881 663 V CB 1.349 32.590 31.823 -0.971 0.000 0.983 663 V HN 0.706 nan 8.190 nan 0.000 0.445 664 R N 2.318 122.526 120.500 -0.488 0.000 2.756 664 R HA 0.071 4.411 4.340 0.000 0.000 0.264 664 R C 0.061 176.022 176.300 -0.566 0.000 1.026 664 R CA -0.187 55.320 56.100 -0.989 0.000 1.121 664 R CB 0.356 30.259 30.300 -0.661 0.000 0.999 664 R HN 0.961 nan 8.270 nan 0.000 0.449 665 D N 1.604 121.661 120.400 -0.571 0.000 2.371 665 D HA -0.065 4.576 4.640 0.000 0.000 0.242 665 D C -0.273 175.913 176.300 -0.190 0.000 1.218 665 D CA -0.304 53.532 54.000 -0.274 0.000 0.945 665 D CB 0.289 40.935 40.800 -0.257 0.000 1.137 665 D HN 0.553 nan 8.370 nan 0.000 0.464 666 N N -1.020 117.611 118.700 -0.114 0.000 2.727 666 N HA -0.157 4.583 4.740 0.000 0.000 0.249 666 N C -0.892 174.614 175.510 -0.008 0.000 1.048 666 N CA 0.993 54.005 53.050 -0.065 0.000 0.714 666 N CB -1.562 36.866 38.487 -0.099 0.000 0.959 666 N HN 0.549 nan 8.380 nan 0.000 0.544 667 T N 0.954 115.532 114.554 0.041 0.000 2.829 667 T HA 0.547 4.897 4.350 0.000 0.000 0.280 667 T C -0.081 174.740 174.700 0.200 0.000 0.999 667 T CA -0.561 61.589 62.100 0.083 0.000 0.983 667 T CB 2.390 71.260 68.868 0.004 0.000 0.968 667 T HN 0.149 nan 8.240 nan 0.000 0.446 668 L N 4.246 125.566 121.223 0.162 0.000 2.316 668 L HA 0.680 5.020 4.340 0.000 0.000 0.280 668 L C -1.447 175.570 176.870 0.245 0.000 1.006 668 L CA -0.756 54.205 54.840 0.203 0.000 0.836 668 L CB 0.940 43.064 42.059 0.109 0.000 1.221 668 L HN 0.523 nan 8.230 nan 0.000 0.418 669 L N 4.796 126.210 121.223 0.319 0.000 2.322 669 L HA 0.845 5.185 4.340 0.000 0.000 0.281 669 L C -0.172 176.854 176.870 0.261 0.000 1.014 669 L CA -0.171 54.810 54.840 0.235 0.000 0.815 669 L CB 1.712 43.888 42.059 0.194 0.000 1.247 669 L HN 0.730 nan 8.230 nan 0.000 0.421 670 A N 5.299 128.211 122.820 0.155 0.000 2.260 670 A HA 0.657 4.977 4.320 0.000 0.000 0.308 670 A C -1.026 176.550 177.584 -0.014 0.000 1.254 670 A CA -0.398 51.599 52.037 -0.067 0.000 0.874 670 A CB 0.148 19.047 19.000 -0.168 0.000 1.153 670 A HN 0.527 nan 8.150 nan 0.000 0.527 671 L N 2.181 123.412 121.223 0.014 0.000 2.331 671 L HA 0.728 5.068 4.340 0.000 0.000 0.275 671 L C 0.905 177.811 176.870 0.059 0.000 1.022 671 L CA 0.054 54.927 54.840 0.054 0.000 0.812 671 L CB 1.666 43.777 42.059 0.087 0.000 1.257 671 L HN 0.783 nan 8.230 nan 0.000 0.435 672 G N 0.456 109.346 108.800 0.149 0.000 2.491 672 G HA2 0.382 4.342 3.960 0.000 0.000 0.327 672 G HA3 0.382 4.342 3.960 0.000 0.000 0.327 672 G C 0.098 175.111 174.900 0.189 0.000 1.189 672 G CA -0.458 44.819 45.100 0.295 0.000 0.956 672 G HN 0.698 nan 8.290 nan 0.000 0.491 673 N N -0.253 118.531 118.700 0.139 0.000 2.320 673 N HA 0.046 4.786 4.740 0.000 0.000 0.237 673 N C -0.332 175.057 175.510 -0.203 0.000 1.129 673 N CA -0.533 52.507 53.050 -0.016 0.000 0.854 673 N CB 0.365 38.854 38.487 0.005 0.000 1.083 673 N HN 0.304 nan 8.380 nan 0.000 0.504 674 N N 1.047 119.481 118.700 -0.444 0.000 2.519 674 N HA 0.073 4.813 4.740 0.000 0.000 0.286 674 N C -1.143 174.139 175.510 -0.380 0.000 1.079 674 N CA -0.323 52.333 53.050 -0.657 0.000 0.878 674 N CB 1.463 39.093 38.487 -1.428 0.000 1.375 674 N HN 0.198 nan 8.380 nan 0.000 0.514 675 D N 1.913 122.203 120.400 -0.184 0.000 2.463 675 D HA 0.092 4.732 4.640 0.000 0.000 0.224 675 D C 0.229 176.521 176.300 -0.015 0.000 1.174 675 D CA 0.268 54.223 54.000 -0.076 0.000 0.829 675 D CB 0.534 41.281 40.800 -0.090 0.000 0.993 675 D HN 0.340 nan 8.370 nan 0.000 0.497 676 Q N 0.262 120.053 119.800 -0.015 0.000 2.353 676 Q HA 0.185 4.525 4.340 0.000 0.000 0.240 676 Q C 0.517 176.666 176.000 0.248 0.000 0.868 676 Q CA 0.398 56.253 55.803 0.087 0.000 0.944 676 Q CB 1.487 30.243 28.738 0.030 0.000 1.104 676 Q HN 0.508 nan 8.270 nan 0.000 0.531 677 R N -0.418 120.168 120.500 0.144 0.000 2.707 677 R HA 0.420 4.760 4.340 0.000 0.000 0.272 677 R C -2.546 173.861 176.300 0.179 0.000 1.011 677 R CA -1.498 54.666 56.100 0.108 0.000 0.893 677 R CB 1.281 31.680 30.300 0.165 0.000 1.233 677 R HN -0.312 nan 8.270 nan 0.000 0.464 678 P HA -0.039 nan 4.420 nan 0.000 0.227 678 P C -0.720 176.791 177.300 0.350 0.000 1.161 678 P CA 0.889 64.133 63.100 0.240 0.000 0.788 678 P CB 0.095 31.873 31.700 0.130 0.000 0.822 679 D N 0.628 121.174 120.400 0.243 0.000 2.441 679 D HA 0.256 4.896 4.640 0.000 0.000 0.231 679 D C -0.329 175.940 176.300 -0.051 0.000 1.073 679 D CA -0.845 53.155 54.000 -0.000 0.000 0.850 679 D CB 0.548 41.378 40.800 0.050 0.000 1.062 679 D HN 0.232 nan 8.370 nan 0.000 0.524 680 Y N -1.398 118.562 120.300 -0.568 0.000 2.750 680 Y HA 0.387 4.937 4.550 0.000 0.000 0.335 680 Y C -1.199 174.205 175.900 -0.827 0.000 1.252 680 Y CA -1.722 56.080 58.100 -0.496 0.000 1.064 680 Y CB 0.952 39.287 38.460 -0.208 0.000 1.321 680 Y HN 0.054 nan 8.280 nan 0.000 0.451 681 V N 4.002 123.749 119.914 -0.278 0.000 2.341 681 V HA 0.017 4.137 4.120 0.000 0.000 0.248 681 V C -0.025 175.963 176.094 -0.176 0.000 1.107 681 V CA -0.129 61.969 62.300 -0.337 0.000 1.069 681 V CB -0.754 30.903 31.823 -0.277 0.000 1.177 681 V HN 0.827 nan 8.190 nan 0.000 0.492 682 W N 4.655 125.891 121.300 -0.107 0.000 2.402 682 W HA -0.078 4.582 4.660 0.000 0.000 0.286 682 W C 2.102 178.630 176.519 0.015 0.000 1.221 682 W CA 1.385 58.665 57.345 -0.109 0.000 1.257 682 W CB -0.738 28.606 29.460 -0.193 0.000 1.120 682 W HN 0.961 nan 8.180 nan 0.000 0.551 683 H N -0.815 118.377 119.070 0.203 0.000 2.547 683 H HA 0.273 4.829 4.556 0.000 0.000 0.274 683 H C -0.630 174.744 175.328 0.078 0.000 1.024 683 H CA 0.473 56.593 56.048 0.120 0.000 1.155 683 H CB -0.469 29.357 29.762 0.107 0.000 1.344 683 H HN 0.110 nan 8.280 nan 0.000 0.598 684 E N 0.031 120.149 120.200 -0.136 0.000 2.191 684 E HA 0.409 4.759 4.350 0.000 0.000 0.263 684 E C 0.068 176.688 176.600 0.034 0.000 0.881 684 E CA -0.314 56.045 56.400 -0.069 0.000 0.757 684 E CB 1.689 31.287 29.700 -0.170 0.000 1.147 684 E HN 0.475 nan 8.360 nan 0.000 0.414 685 G N 2.834 111.681 108.800 0.079 0.000 2.141 685 G HA2 -0.273 3.687 3.960 0.000 0.000 0.242 685 G HA3 -0.273 3.687 3.960 0.000 0.000 0.242 685 G C 0.387 175.351 174.900 0.107 0.000 0.982 685 G CA 0.165 45.315 45.100 0.084 0.000 0.662 685 G HN 0.515 nan 8.290 nan 0.000 0.527 686 T N 0.888 115.511 114.554 0.116 0.000 2.934 686 T HA 0.443 4.793 4.350 0.000 0.000 0.306 686 T C 0.667 175.358 174.700 -0.015 0.000 1.042 686 T CA 0.840 62.925 62.100 -0.026 0.000 1.145 686 T CB 1.533 70.252 68.868 -0.248 0.000 0.982 686 T HN 1.530 nan 8.240 nan 0.000 0.544 687 A N 3.573 126.344 122.820 -0.081 0.000 2.316 687 A HA 0.634 4.954 4.320 0.000 0.000 0.324 687 A C -0.320 177.209 177.584 -0.092 0.000 1.375 687 A CA -0.762 51.270 52.037 -0.008 0.000 0.882 687 A CB -0.150 18.930 19.000 0.133 0.000 1.152 687 A HN 0.692 nan 8.150 nan 0.000 0.512 688 F N 1.839 121.827 119.950 0.064 0.000 2.389 688 F HA 0.370 4.897 4.527 0.000 0.000 0.337 688 F C 1.045 176.748 175.800 -0.161 0.000 1.112 688 F CA 0.582 58.612 58.000 0.051 0.000 1.192 688 F CB 0.923 39.937 39.000 0.022 0.000 1.185 688 F HN 0.492 nan 8.300 nan 0.000 0.552 689 H N 3.188 122.373 119.070 0.190 0.000 2.744 689 H HA 0.324 4.880 4.556 0.000 0.000 0.339 689 H C -1.348 173.904 175.328 -0.127 0.000 1.004 689 H CA -0.904 55.111 56.048 -0.054 0.000 1.257 689 H CB 2.371 32.042 29.762 -0.152 0.000 1.552 689 H HN 0.391 nan 8.280 nan 0.000 0.522 690 L N 3.830 124.969 121.223 -0.140 0.000 2.275 690 L HA 0.375 4.715 4.340 0.000 0.000 0.288 690 L C -1.360 175.357 176.870 -0.255 0.000 1.046 690 L CA -0.213 54.580 54.840 -0.079 0.000 0.805 690 L CB 0.170 42.209 42.059 -0.032 0.000 1.193 690 L HN 0.358 nan 8.230 nan 0.000 0.426 691 F N 4.273 124.242 119.950 0.032 0.000 2.403 691 F HA 0.389 4.916 4.527 0.000 0.000 0.355 691 F C 0.774 176.553 175.800 -0.034 0.000 1.119 691 F CA -0.739 57.264 58.000 0.005 0.000 1.007 691 F CB 0.700 39.689 39.000 -0.018 0.000 1.194 691 F HN 0.631 nan 8.300 nan 0.000 0.443 692 N N 2.482 121.240 118.700 0.097 0.000 2.688 692 N HA -0.222 4.518 4.740 0.000 0.000 0.258 692 N C -0.849 174.644 175.510 -0.028 0.000 1.016 692 N CA -0.043 53.023 53.050 0.027 0.000 0.747 692 N CB -0.465 38.032 38.487 0.018 0.000 0.895 692 N HN 0.501 nan 8.380 nan 0.000 0.543 693 L N 1.539 122.754 121.223 -0.013 0.000 2.407 693 L HA 0.100 4.440 4.340 0.000 0.000 0.282 693 L C 0.770 177.616 176.870 -0.039 0.000 1.110 693 L CA 0.169 54.995 54.840 -0.024 0.000 0.863 693 L CB 0.348 42.414 42.059 0.013 0.000 1.207 693 L HN 0.344 nan 8.230 nan 0.000 0.454 694 Q N 2.440 122.162 119.800 -0.131 0.000 2.443 694 Q HA 0.064 4.404 4.340 0.000 0.000 0.232 694 Q C -0.287 175.769 176.000 0.092 0.000 1.026 694 Q CA -0.478 55.270 55.803 -0.092 0.000 0.924 694 Q CB 0.956 29.508 28.738 -0.310 0.000 1.256 694 Q HN 0.476 nan 8.270 nan 0.000 0.519 695 D N -0.407 120.060 120.400 0.113 0.000 2.425 695 D HA 0.109 4.749 4.640 0.000 0.000 0.247 695 D C 0.633 177.041 176.300 0.180 0.000 1.147 695 D CA 1.447 55.519 54.000 0.119 0.000 0.879 695 D CB 0.578 41.422 40.800 0.074 0.000 1.179 695 D HN 0.733 nan 8.370 nan 0.000 0.456 696 G N 3.125 111.985 108.800 0.100 0.000 2.159 696 G HA2 -0.205 3.755 3.960 0.000 0.000 0.256 696 G HA3 -0.205 3.755 3.960 0.000 0.000 0.256 696 G C 0.392 175.235 174.900 -0.096 0.000 0.977 696 G CA 0.225 45.329 45.100 0.007 0.000 0.652 696 G HN 0.722 nan 8.290 nan 0.000 0.531 697 H N -0.021 119.046 119.070 -0.006 0.000 2.595 697 H HA 0.651 5.207 4.556 0.000 0.000 0.346 697 H C -0.483 174.838 175.328 -0.013 0.000 1.181 697 H CA -0.355 55.687 56.048 -0.010 0.000 1.242 697 H CB 1.962 31.718 29.762 -0.010 0.000 1.652 697 H HN 0.333 nan 8.280 nan 0.000 0.548 698 E N 0.622 120.880 120.200 0.097 0.000 2.256 698 E HA 0.525 4.875 4.350 0.000 0.000 0.268 698 E C -1.603 175.024 176.600 0.044 0.000 0.877 698 E CA -0.933 55.493 56.400 0.043 0.000 0.757 698 E CB 1.949 31.649 29.700 0.001 0.000 1.183 698 E HN 0.707 nan 8.360 nan 0.000 0.418 699 A N 3.289 126.125 122.820 0.026 0.000 2.317 699 A HA 0.633 4.953 4.320 0.000 0.000 0.327 699 A C -0.954 176.625 177.584 -0.008 0.000 1.178 699 A CA -0.548 51.502 52.037 0.021 0.000 0.817 699 A CB 1.300 20.322 19.000 0.036 0.000 1.189 699 A HN 0.345 nan 8.150 nan 0.000 0.489 700 V N 1.262 121.172 119.914 -0.007 0.000 2.540 700 V HA 0.518 4.638 4.120 0.000 0.000 0.302 700 V C -0.512 175.581 176.094 -0.002 0.000 1.035 700 V CA -0.582 61.697 62.300 -0.035 0.000 0.873 700 V CB 1.443 33.242 31.823 -0.041 0.000 0.992 700 V HN 1.074 nan 8.190 nan 0.000 0.428 701 C N 4.661 123.949 119.300 -0.020 0.000 2.396 701 C HA 0.668 5.128 4.460 0.000 0.000 0.321 701 C C -0.387 174.621 174.990 0.030 0.000 1.233 701 C CA -0.309 58.749 59.018 0.066 0.000 1.440 701 C CB 0.566 28.413 27.740 0.179 0.000 2.110 701 C HN 1.004 nan 8.230 nan 0.000 0.473 702 E N 4.073 124.308 120.200 0.058 0.000 2.155 702 E HA 0.458 4.808 4.350 0.000 0.000 0.264 702 E C -0.989 175.669 176.600 0.097 0.000 0.886 702 E CA -0.441 55.980 56.400 0.035 0.000 0.752 702 E CB 2.030 31.731 29.700 0.002 0.000 1.133 702 E HN 0.573 nan 8.360 nan 0.000 0.414 703 V N 5.740 125.753 119.914 0.164 0.000 2.432 703 V HA 0.288 4.408 4.120 0.000 0.000 0.275 703 V C -1.901 174.296 176.094 0.173 0.000 1.043 703 V CA -1.654 60.765 62.300 0.199 0.000 0.925 703 V CB 1.003 33.026 31.823 0.334 0.000 0.985 703 V HN 0.584 nan 8.190 nan 0.000 0.466 704 P HA 0.427 nan 4.420 nan 0.000 0.282 704 P C -0.559 176.938 177.300 0.329 0.000 1.259 704 P CA -0.363 62.866 63.100 0.215 0.000 0.826 704 P CB 1.562 33.401 31.700 0.231 0.000 1.064 705 A N 1.653 124.609 122.820 0.227 0.000 2.280 705 A HA 0.488 4.808 4.320 0.000 0.000 0.268 705 A C 1.708 179.458 177.584 0.276 0.000 1.111 705 A CA 0.216 52.360 52.037 0.179 0.000 0.814 705 A CB -0.619 18.422 19.000 0.068 0.000 1.093 705 A HN 0.528 nan 8.150 nan 0.000 0.498 706 A N -0.262 122.602 122.820 0.074 0.000 2.070 706 A HA -0.092 4.229 4.320 0.000 0.000 0.220 706 A C 1.326 179.015 177.584 0.176 0.000 1.159 706 A CA 1.962 53.983 52.037 -0.026 0.000 0.656 706 A CB -0.568 18.326 19.000 -0.176 0.000 0.800 706 A HN 0.854 nan 8.150 nan 0.000 0.453 707 D N -2.512 118.001 120.400 0.188 0.000 2.339 707 D HA 0.266 4.906 4.640 0.000 0.000 0.217 707 D C 1.190 177.629 176.300 0.232 0.000 1.050 707 D CA 0.966 55.083 54.000 0.195 0.000 0.856 707 D CB -0.402 40.465 40.800 0.112 0.000 0.922 707 D HN 0.702 nan 8.370 nan 0.000 0.518 708 G N 0.439 109.432 108.800 0.321 0.000 2.217 708 G HA2 -0.309 3.651 3.960 0.000 0.000 0.246 708 G HA3 -0.309 3.651 3.960 0.000 0.000 0.246 708 G C 0.502 175.472 174.900 0.116 0.000 0.990 708 G CA 0.463 45.695 45.100 0.220 0.000 0.627 708 G HN 0.857 nan 8.290 nan 0.000 0.522 709 S N -0.527 115.237 115.700 0.106 0.000 2.580 709 S HA 0.507 4.977 4.470 0.000 0.000 0.266 709 S C 0.416 175.059 174.600 0.071 0.000 1.354 709 S CA 0.110 58.350 58.200 0.067 0.000 1.008 709 S CB 1.904 65.136 63.200 0.052 0.000 0.898 709 S HN 1.108 nan 8.310 nan 0.000 0.555 710 V N 3.075 123.015 119.914 0.044 0.000 2.385 710 V HA 0.263 4.383 4.120 0.000 0.000 0.269 710 V C 1.062 177.181 176.094 0.042 0.000 1.043 710 V CA -0.288 62.039 62.300 0.044 0.000 0.906 710 V CB 0.586 32.418 31.823 0.015 0.000 0.995 710 V HN 0.980 nan 8.190 nan 0.000 0.467 711 I N 4.189 124.791 120.570 0.054 0.000 2.867 711 I HA 0.217 4.387 4.170 0.000 0.000 0.265 711 I C 0.084 176.289 176.117 0.146 0.000 1.162 711 I CA 0.832 62.145 61.300 0.022 0.000 1.471 711 I CB 0.461 38.368 38.000 -0.154 0.000 1.123 711 I HN 0.526 nan 8.210 nan 0.000 0.440 712 F N 0.338 120.281 119.950 -0.012 0.000 2.573 712 F HA 0.402 4.929 4.527 0.000 0.000 0.316 712 F C -0.768 175.032 175.800 -0.000 0.000 1.148 712 F CA -0.641 57.364 58.000 0.007 0.000 0.940 712 F CB 1.595 40.627 39.000 0.053 0.000 1.214 712 F HN -0.366 nan 8.300 nan 0.000 0.448 713 T N 6.965 121.158 114.554 -0.603 0.000 2.770 713 T HA 0.501 4.851 4.350 0.000 0.000 0.283 713 T C -0.855 173.302 174.700 -0.906 0.000 0.988 713 T CA -0.517 61.260 62.100 -0.539 0.000 0.957 713 T CB 1.160 69.850 68.868 -0.296 0.000 0.930 713 T HN 0.519 nan 8.240 nan 0.000 0.443 714 L N 3.789 124.581 121.223 -0.718 0.000 2.322 714 L HA 0.582 4.922 4.340 0.000 0.000 0.281 714 L C -0.433 176.210 176.870 -0.379 0.000 1.014 714 L CA -0.772 53.657 54.840 -0.686 0.000 0.815 714 L CB 1.348 42.851 42.059 -0.926 0.000 1.247 714 L HN 0.543 nan 8.230 nan 0.000 0.421 715 K N 3.470 123.701 120.400 -0.282 0.000 2.267 715 K HA 0.786 5.106 4.320 0.000 0.000 0.246 715 K C -1.088 175.440 176.600 -0.121 0.000 0.954 715 K CA -0.773 55.416 56.287 -0.163 0.000 0.824 715 K CB 2.502 34.930 32.500 -0.120 0.000 1.167 715 K HN 0.572 nan 8.250 nan 0.000 0.431 716 A N 1.277 124.054 122.820 -0.072 0.000 2.375 716 A HA 0.664 4.984 4.320 0.000 0.000 0.291 716 A C -1.138 176.440 177.584 -0.011 0.000 1.160 716 A CA -0.635 51.380 52.037 -0.037 0.000 0.747 716 A CB 1.149 20.133 19.000 -0.027 0.000 1.170 716 A HN 0.704 nan 8.150 nan 0.000 0.458 717 A N 2.533 125.349 122.820 -0.005 0.000 2.330 717 A HA 0.797 5.117 4.320 0.000 0.000 0.327 717 A C 0.046 177.641 177.584 0.018 0.000 1.155 717 A CA -0.654 51.388 52.037 0.008 0.000 0.803 717 A CB 0.752 19.750 19.000 -0.003 0.000 1.208 717 A HN 0.865 nan 8.150 nan 0.000 0.477 718 R N 1.409 121.930 120.500 0.035 0.000 2.343 718 R HA 0.547 4.887 4.340 0.000 0.000 0.320 718 R C -1.007 175.314 176.300 0.035 0.000 0.956 718 R CA 0.015 56.137 56.100 0.037 0.000 0.836 718 R CB 1.265 31.595 30.300 0.049 0.000 1.151 718 R HN 0.705 nan 8.270 nan 0.000 0.450 719 T N 3.093 117.661 114.554 0.025 0.000 2.840 719 T HA 0.538 4.888 4.350 0.000 0.000 0.287 719 T C 0.526 175.239 174.700 0.021 0.000 0.991 719 T CA 0.659 62.771 62.100 0.020 0.000 0.964 719 T CB 1.134 70.008 68.868 0.010 0.000 0.954 719 T HN 0.922 nan 8.240 nan 0.000 0.438 720 G N 5.697 114.511 108.800 0.024 0.000 2.583 720 G HA2 -0.297 3.663 3.960 0.000 0.000 0.292 720 G HA3 -0.297 3.663 3.960 0.000 0.000 0.292 720 G C 0.436 175.352 174.900 0.027 0.000 1.203 720 G CA 0.481 45.595 45.100 0.023 0.000 0.987 720 G HN 0.738 nan 8.290 nan 0.000 0.554 721 N N 1.191 119.907 118.700 0.026 0.000 2.251 721 N HA 0.346 5.086 4.740 0.000 0.000 0.217 721 N C -0.189 175.339 175.510 0.031 0.000 1.124 721 N CA 0.757 53.826 53.050 0.032 0.000 0.843 721 N CB 0.737 39.245 38.487 0.034 0.000 1.024 721 N HN 0.511 nan 8.380 nan 0.000 0.501 722 T N 1.585 116.154 114.554 0.026 0.000 2.779 722 T HA 0.446 4.796 4.350 0.000 0.000 0.280 722 T C 0.131 174.844 174.700 0.022 0.000 0.987 722 T CA -0.626 61.488 62.100 0.023 0.000 0.966 722 T CB 1.040 69.919 68.868 0.019 0.000 0.933 722 T HN 0.097 nan 8.240 nan 0.000 0.442 723 I N 0.887 121.469 120.570 0.021 0.000 2.339 723 I HA 0.576 4.746 4.170 0.000 0.000 0.290 723 I C -0.559 175.568 176.117 0.017 0.000 0.994 723 I CA -0.588 60.724 61.300 0.019 0.000 1.191 723 I CB 1.377 39.388 38.000 0.018 0.000 1.343 723 I HN 0.347 nan 8.210 nan 0.000 0.458 724 T N 6.174 120.735 114.554 0.012 0.000 2.799 724 T HA 0.488 4.838 4.350 0.000 0.000 0.286 724 T C -0.002 174.700 174.700 0.005 0.000 0.973 724 T CA -0.375 61.732 62.100 0.011 0.000 1.035 724 T CB 1.856 70.728 68.868 0.006 0.000 0.932 724 T HN 0.466 nan 8.240 nan 0.000 0.469 725 V N 4.140 124.063 119.914 0.015 0.000 2.409 725 V HA 0.551 4.671 4.120 0.000 0.000 0.291 725 V C 0.005 176.110 176.094 0.017 0.000 1.020 725 V CA -0.712 61.593 62.300 0.009 0.000 0.848 725 V CB 1.801 33.653 31.823 0.049 0.000 0.990 725 V HN 1.032 nan 8.190 nan 0.000 0.430 726 T N 3.004 117.537 114.554 -0.034 0.000 2.861 726 T HA 0.744 5.094 4.350 0.000 0.000 0.287 726 T C 0.156 174.782 174.700 -0.123 0.000 1.003 726 T CA -0.578 61.501 62.100 -0.035 0.000 0.977 726 T CB 1.931 70.770 68.868 -0.048 0.000 0.996 726 T HN 0.915 nan 8.240 nan 0.000 0.448 727 G N 0.500 109.266 108.800 -0.057 0.000 2.481 727 G HA2 0.780 4.740 3.960 0.000 0.000 0.315 727 G HA3 0.780 4.740 3.960 0.000 0.000 0.315 727 G C -1.433 173.399 174.900 -0.113 0.000 1.231 727 G CA -1.029 43.953 45.100 -0.198 0.000 0.968 727 G HN 1.024 nan 8.290 nan 0.000 0.482 728 A N -0.075 122.562 122.820 -0.305 0.000 2.488 728 A HA 0.992 5.312 4.320 0.000 0.000 0.295 728 A C 0.329 177.932 177.584 0.030 0.000 1.045 728 A CA 0.520 52.515 52.037 -0.070 0.000 0.703 728 A CB 1.168 20.103 19.000 -0.108 0.000 1.271 728 A HN 2.666 nan 8.150 nan 0.000 0.400 729 G N 0.708 109.642 108.800 0.223 0.000 2.418 729 G HA2 0.139 4.099 3.960 0.000 0.000 0.206 729 G HA3 0.139 4.099 3.960 0.000 0.000 0.206 729 G C -0.406 174.723 174.900 0.382 0.000 1.202 729 G CA 0.059 45.325 45.100 0.276 0.000 1.061 729 G HN 1.188 nan 8.290 nan 0.000 0.563 730 E N 0.499 120.889 120.200 0.317 0.000 2.199 730 E HA 0.644 4.994 4.350 0.000 0.000 0.265 730 E C -0.361 176.251 176.600 0.020 0.000 0.882 730 E CA -0.193 56.296 56.400 0.148 0.000 0.759 730 E CB 1.363 31.114 29.700 0.085 0.000 1.148 730 E HN 1.822 nan 8.360 nan 0.000 0.412 731 A N 3.858 126.619 122.820 -0.098 0.000 2.590 731 A HA 0.607 4.927 4.320 0.000 0.000 0.296 731 A C -1.695 175.916 177.584 0.044 0.000 1.050 731 A CA -0.847 51.075 52.037 -0.192 0.000 0.697 731 A CB 1.549 19.852 19.000 -1.162 0.000 1.277 731 A HN 0.503 nan 8.150 nan 0.000 0.411 732 K N 0.958 121.443 120.400 0.141 0.000 2.523 732 K HA 0.596 4.916 4.320 0.000 0.000 0.257 732 K C 0.040 176.709 176.600 0.115 0.000 0.932 732 K CA -0.386 55.966 56.287 0.108 0.000 0.812 732 K CB 1.677 34.200 32.500 0.039 0.000 1.326 732 K HN 0.857 nan 8.250 nan 0.000 0.433 733 N N 2.142 120.845 118.700 0.004 0.000 2.740 733 N HA -0.139 4.601 4.740 0.000 0.000 0.248 733 N C -0.952 174.605 175.510 0.079 0.000 1.062 733 N CA 0.476 53.513 53.050 -0.022 0.000 0.704 733 N CB -0.107 38.377 38.487 -0.005 0.000 0.968 733 N HN 0.590 nan 8.380 nan 0.000 0.547 734 W N -0.333 120.996 121.300 0.048 0.000 2.481 734 W HA 0.728 5.388 4.660 0.000 0.000 0.369 734 W C -0.538 176.060 176.519 0.132 0.000 1.235 734 W CA -0.452 56.967 57.345 0.123 0.000 1.344 734 W CB 0.597 30.232 29.460 0.291 0.000 1.360 734 W HN -0.086 nan 8.180 nan 0.000 0.658 735 T N 1.975 116.918 114.554 0.649 0.000 2.923 735 T HA 0.439 4.789 4.350 0.000 0.000 0.311 735 T C -1.393 173.612 174.700 0.509 0.000 1.183 735 T CA -0.694 61.621 62.100 0.358 0.000 1.020 735 T CB 2.008 70.969 68.868 0.154 0.000 1.165 735 T HN 0.447 nan 8.240 nan 0.000 0.482 736 L N 2.302 123.716 121.223 0.318 0.000 2.376 736 L HA 0.664 5.004 4.340 0.000 0.000 0.275 736 L C -0.752 176.132 176.870 0.024 0.000 0.987 736 L CA -0.664 54.313 54.840 0.228 0.000 0.828 736 L CB 0.945 43.163 42.059 0.265 0.000 1.249 736 L HN 0.818 nan 8.230 nan 0.000 0.409 737 C N 6.531 125.753 119.300 -0.131 0.000 2.273 737 C HA 0.432 4.892 4.460 0.000 0.000 0.328 737 C C 0.319 175.235 174.990 -0.124 0.000 1.275 737 C CA -0.762 58.156 59.018 -0.167 0.000 1.704 737 C CB -0.150 27.400 27.740 -0.316 0.000 2.326 737 C HN 0.732 nan 8.230 nan 0.000 0.517 738 L N 6.633 127.810 121.223 -0.076 0.000 2.334 738 L HA 0.320 4.660 4.340 0.000 0.000 0.286 738 L C 0.626 177.446 176.870 -0.083 0.000 1.108 738 L CA -0.160 54.636 54.840 -0.073 0.000 0.875 738 L CB -0.283 41.751 42.059 -0.041 0.000 1.246 738 L HN 0.652 nan 8.230 nan 0.000 0.439 739 R N 3.382 123.792 120.500 -0.151 0.000 2.489 739 R HA 0.043 4.383 4.340 0.000 0.000 0.287 739 R C 0.823 177.096 176.300 -0.045 0.000 1.053 739 R CA 0.392 56.406 56.100 -0.143 0.000 1.036 739 R CB -0.030 30.037 30.300 -0.388 0.000 0.966 739 R HN 0.517 nan 8.270 nan 0.000 0.432 740 N N 1.068 119.768 118.700 0.000 0.000 2.753 740 N HA -0.186 4.554 4.740 0.000 0.000 0.251 740 N C -1.324 174.193 175.510 0.011 0.000 1.097 740 N CA 1.163 54.228 53.050 0.025 0.000 0.786 740 N CB -0.735 37.784 38.487 0.053 0.000 1.137 740 N HN 0.215 nan 8.380 nan 0.000 0.566 741 V N 1.675 121.584 119.914 -0.008 0.000 2.293 741 V HA 0.169 4.289 4.120 0.000 0.000 0.275 741 V C 1.793 177.868 176.094 -0.031 0.000 1.021 741 V CA -0.379 61.910 62.300 -0.020 0.000 0.815 741 V CB 1.563 33.369 31.823 -0.027 0.000 1.025 741 V HN 0.093 nan 8.190 nan 0.000 0.448 742 V N 1.995 121.889 119.914 -0.033 0.000 2.358 742 V HA 0.086 4.206 4.120 0.000 0.000 0.246 742 V C 0.828 176.875 176.094 -0.078 0.000 1.047 742 V CA 1.240 63.517 62.300 -0.039 0.000 1.035 742 V CB -0.376 31.431 31.823 -0.027 0.000 0.658 742 V HN 0.702 nan 8.190 nan 0.000 0.452 743 K N -0.748 119.568 120.400 -0.140 0.000 2.498 743 K HA 0.664 4.984 4.320 0.000 0.000 0.254 743 K C -2.006 174.358 176.600 -0.395 0.000 0.933 743 K CA -0.531 55.605 56.287 -0.252 0.000 0.806 743 K CB 3.059 35.388 32.500 -0.285 0.000 1.301 743 K HN 0.072 nan 8.250 nan 0.000 0.432 744 V N 2.981 122.696 119.914 -0.332 0.000 2.864 744 V HA 0.136 4.257 4.120 0.000 0.000 0.314 744 V C 0.921 176.945 176.094 -0.118 0.000 1.073 744 V CA -0.620 61.550 62.300 -0.216 0.000 0.956 744 V CB 1.822 33.598 31.823 -0.078 0.000 1.023 744 V HN 0.993 nan 8.190 nan 0.000 0.435 745 N N 2.660 121.453 118.700 0.156 0.000 2.062 745 N HA 0.101 4.841 4.740 0.000 0.000 0.191 745 N C 0.455 176.028 175.510 0.105 0.000 1.042 745 N CA 1.837 55.042 53.050 0.258 0.000 0.845 745 N CB -0.069 38.551 38.487 0.222 0.000 1.024 745 N HN 0.841 nan 8.380 nan 0.000 0.424 746 G N -1.140 107.699 108.800 0.064 0.000 2.708 746 G HA2 0.610 4.570 3.960 0.000 0.000 0.289 746 G HA3 0.610 4.570 3.960 0.000 0.000 0.289 746 G C -2.059 172.854 174.900 0.022 0.000 1.416 746 G CA -0.615 44.507 45.100 0.037 0.000 0.829 746 G HN 0.232 nan 8.290 nan 0.000 0.480 747 L N -0.095 121.137 121.223 0.014 0.000 2.526 747 L HA 0.460 4.800 4.340 0.000 0.000 0.263 747 L C -1.275 175.599 176.870 0.007 0.000 0.943 747 L CA -0.754 54.091 54.840 0.009 0.000 0.859 747 L CB 2.292 44.351 42.059 0.000 0.000 1.313 747 L HN 0.421 nan 8.230 nan 0.000 0.406 748 Q N 3.284 123.089 119.800 0.009 0.000 2.322 748 Q HA 0.277 4.617 4.340 0.000 0.000 0.265 748 Q C -0.921 175.081 176.000 0.004 0.000 0.985 748 Q CA -0.433 55.374 55.803 0.007 0.000 0.849 748 Q CB 1.971 30.716 28.738 0.011 0.000 1.274 748 Q HN 0.638 nan 8.270 nan 0.000 0.449 749 D N 1.191 121.589 120.400 -0.003 0.000 2.907 749 D HA -0.149 4.491 4.640 0.000 0.000 0.226 749 D C -0.208 176.077 176.300 -0.025 0.000 1.141 749 D CA 1.649 55.643 54.000 -0.010 0.000 0.779 749 D CB -0.879 39.921 40.800 0.000 0.000 1.095 749 D HN 0.815 nan 8.370 nan 0.000 0.430 750 G N -1.238 107.546 108.800 -0.027 0.000 2.703 750 G HA2 0.553 4.513 3.960 0.000 0.000 0.294 750 G HA3 0.553 4.513 3.960 0.000 0.000 0.294 750 G C -0.396 174.482 174.900 -0.037 0.000 1.451 750 G CA 0.043 45.116 45.100 -0.044 0.000 0.869 750 G HN 0.334 nan 8.290 nan 0.000 0.516 751 S N -0.310 115.360 115.700 -0.049 0.000 2.672 751 S HA 0.797 5.267 4.470 0.000 0.000 0.276 751 S C -0.102 174.478 174.600 -0.033 0.000 1.207 751 S CA -0.483 57.694 58.200 -0.038 0.000 1.002 751 S CB 1.754 64.929 63.200 -0.043 0.000 0.998 751 S HN 1.125 nan 8.310 nan 0.000 0.542 752 Q N -0.186 119.599 119.800 -0.026 0.000 2.501 752 Q HA 0.792 5.132 4.340 0.000 0.000 0.288 752 Q C -1.671 174.317 176.000 -0.019 0.000 1.051 752 Q CA -1.602 54.188 55.803 -0.022 0.000 0.788 752 Q CB 1.990 30.715 28.738 -0.021 0.000 1.469 752 Q HN 1.161 nan 8.270 nan 0.000 0.416 753 A N 1.123 123.933 122.820 -0.017 0.000 2.555 753 A HA 0.419 4.739 4.320 0.000 0.000 0.297 753 A C -1.318 176.260 177.584 -0.010 0.000 1.060 753 A CA -0.768 51.262 52.037 -0.012 0.000 0.710 753 A CB 1.510 20.504 19.000 -0.009 0.000 1.282 753 A HN 0.771 nan 8.150 nan 0.000 0.399 754 E N 0.883 121.078 120.200 -0.008 0.000 2.418 754 E HA 0.399 4.749 4.350 0.000 0.000 0.261 754 E C 0.565 177.168 176.600 0.005 0.000 1.070 754 E CA 0.821 57.219 56.400 -0.004 0.000 0.931 754 E CB 0.631 30.330 29.700 -0.002 0.000 0.954 754 E HN 0.820 nan 8.360 nan 0.000 0.439 755 S N 0.510 116.217 115.700 0.011 0.000 2.618 755 S HA 0.172 4.642 4.470 0.000 0.000 0.277 755 S C 0.712 175.331 174.600 0.033 0.000 1.138 755 S CA -0.939 57.276 58.200 0.026 0.000 0.844 755 S CB 1.801 65.021 63.200 0.034 0.000 1.127 755 S HN 0.630 nan 8.310 nan 0.000 0.474 756 E N 0.563 120.790 120.200 0.046 0.000 2.085 756 E HA -0.197 4.153 4.350 0.000 0.000 0.194 756 E C 1.417 178.052 176.600 0.057 0.000 0.994 756 E CA 1.566 57.997 56.400 0.051 0.000 0.801 756 E CB -0.167 29.570 29.700 0.063 0.000 0.743 756 E HN 0.776 nan 8.360 nan 0.000 0.453 757 Q N -0.706 119.136 119.800 0.070 0.000 2.451 757 Q HA 0.143 4.483 4.340 0.000 0.000 0.206 757 Q C 0.477 176.505 176.000 0.047 0.000 0.947 757 Q CA 0.478 56.328 55.803 0.077 0.000 0.937 757 Q CB 0.806 29.612 28.738 0.114 0.000 1.025 757 Q HN 0.261 nan 8.270 nan 0.000 0.511 758 G N 0.285 109.102 108.800 0.029 0.000 2.361 758 G HA2 0.032 3.992 3.960 0.000 0.000 0.305 758 G HA3 0.032 3.992 3.960 0.000 0.000 0.305 758 G C -1.982 172.913 174.900 -0.008 0.000 1.367 758 G CA -1.156 43.946 45.100 0.002 0.000 0.951 758 G HN 0.019 nan 8.290 nan 0.000 0.615 759 L N 0.459 121.668 121.223 -0.022 0.000 2.513 759 L HA 0.492 4.832 4.340 0.000 0.000 0.272 759 L C 0.505 177.360 176.870 -0.025 0.000 1.187 759 L CA 0.075 54.900 54.840 -0.025 0.000 0.895 759 L CB 0.955 42.993 42.059 -0.036 0.000 1.147 759 L HN 0.491 nan 8.230 nan 0.000 0.483 760 V N 6.664 126.567 119.914 -0.019 0.000 2.333 760 V HA 0.337 4.457 4.120 0.000 0.000 0.274 760 V C 0.119 176.207 176.094 -0.010 0.000 1.028 760 V CA -0.642 61.648 62.300 -0.017 0.000 0.851 760 V CB 1.197 33.013 31.823 -0.011 0.000 1.000 760 V HN 0.534 nan 8.190 nan 0.000 0.456 761 V N 4.866 124.781 119.914 0.002 0.000 2.716 761 V HA 0.564 4.684 4.120 0.000 0.000 0.304 761 V C -0.033 176.057 176.094 -0.006 0.000 1.053 761 V CA -0.766 61.535 62.300 0.002 0.000 0.984 761 V CB 1.860 33.696 31.823 0.022 0.000 1.021 761 V HN 0.898 nan 8.190 nan 0.000 0.467 762 K N 5.366 125.731 120.400 -0.059 0.000 2.507 762 K HA 0.575 4.895 4.320 0.000 0.000 0.251 762 K C -2.914 173.565 176.600 -0.201 0.000 0.943 762 K CA -1.633 54.566 56.287 -0.147 0.000 0.794 762 K CB 2.788 35.214 32.500 -0.123 0.000 1.188 762 K HN 0.445 nan 8.250 nan 0.000 0.428 763 P HA 0.225 nan 4.420 nan 0.000 0.280 763 P C -1.697 175.464 177.300 -0.232 0.000 1.272 763 P CA -0.323 62.608 63.100 -0.282 0.000 0.819 763 P CB 1.263 32.714 31.700 -0.415 0.000 1.122 764 Q N -0.032 119.688 119.800 -0.135 0.000 2.548 764 Q HA 0.457 4.797 4.340 0.000 0.000 0.232 764 Q C -0.210 175.762 176.000 -0.047 0.000 0.838 764 Q CA -0.324 55.419 55.803 -0.099 0.000 1.032 764 Q CB 0.558 29.238 28.738 -0.098 0.000 1.548 764 Q HN 0.795 nan 8.270 nan 0.000 0.479 765 G N 2.888 111.674 108.800 -0.022 0.000 2.813 765 G HA2 -0.216 3.744 3.960 0.000 0.000 0.194 765 G HA3 -0.216 3.744 3.960 0.000 0.000 0.194 765 G C 0.373 175.289 174.900 0.027 0.000 1.010 765 G CA -0.198 44.904 45.100 0.002 0.000 0.771 765 G HN 0.684 nan 8.290 nan 0.000 0.485 766 N N 0.594 119.320 118.700 0.043 0.000 2.782 766 N HA -0.094 4.646 4.740 0.000 0.000 0.274 766 N C 1.406 176.952 175.510 0.060 0.000 0.962 766 N CA 1.590 54.690 53.050 0.082 0.000 0.848 766 N CB -0.697 37.877 38.487 0.146 0.000 0.923 766 N HN 1.128 nan 8.380 nan 0.000 0.575 767 A N 0.547 123.391 122.820 0.041 0.000 2.195 767 A HA 0.142 4.462 4.320 0.000 0.000 0.210 767 A C 0.737 178.345 177.584 0.039 0.000 1.165 767 A CA -0.313 51.744 52.037 0.034 0.000 0.806 767 A CB 0.162 19.175 19.000 0.022 0.000 0.847 767 A HN 0.507 nan 8.150 nan 0.000 0.482 768 L N 2.141 123.394 121.223 0.049 0.000 3.176 768 L HA -0.061 4.279 4.340 0.000 0.000 0.334 768 L C 0.436 177.330 176.870 0.040 0.000 1.074 768 L CA 1.592 56.461 54.840 0.048 0.000 0.865 768 L CB -0.915 41.194 42.059 0.083 0.000 1.320 768 L HN 0.485 nan 8.230 nan 0.000 0.553 769 T N 5.023 119.594 114.554 0.028 0.000 2.893 769 T HA 0.754 5.104 4.350 0.000 0.000 0.293 769 T C -0.557 174.156 174.700 0.022 0.000 1.027 769 T CA -1.066 61.049 62.100 0.024 0.000 0.988 769 T CB 1.389 70.269 68.868 0.019 0.000 1.043 769 T HN 0.406 nan 8.240 nan 0.000 0.461 770 I N 3.215 123.798 120.570 0.022 0.000 2.433 770 I HA 0.400 4.570 4.170 0.000 0.000 0.292 770 I C 0.128 176.260 176.117 0.024 0.000 1.001 770 I CA -0.729 60.584 61.300 0.020 0.000 1.119 770 I CB 1.485 39.496 38.000 0.017 0.000 1.289 770 I HN 0.805 nan 8.210 nan 0.000 0.438 771 T N 5.910 120.481 114.554 0.029 0.000 2.756 771 T HA 0.538 4.888 4.350 0.000 0.000 0.290 771 T C 0.160 174.895 174.700 0.057 0.000 0.985 771 T CA -0.662 61.462 62.100 0.040 0.000 0.955 771 T CB 1.354 70.246 68.868 0.041 0.000 0.930 771 T HN 0.119 nan 8.240 nan 0.000 0.451 772 L N 2.450 123.709 121.223 0.061 0.000 2.456 772 L HA 0.356 4.696 4.340 0.000 0.000 0.257 772 L C 1.313 178.278 176.870 0.158 0.000 1.162 772 L CA -0.294 54.596 54.840 0.083 0.000 0.808 772 L CB -0.191 41.906 42.059 0.063 0.000 1.136 772 L HN 0.709 nan 8.230 nan 0.000 0.466 773 H N 0.000 119.075 119.070 0.009 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