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 1ms8_1_A DATA FIRST_RESID 1 DATA SEQUENCE LAPGSSRVEL FKRQSSKVPF EKDGKVTERV VHSFRLPALV NVDGVMVAIA DATA SEQUENCE DARYETSFDN SLIDTVAKYS VDDGETWETQ IAIKNSRASS VSRVVDPTVI DATA SEQUENCE VKGNKLYVLV GSYNSSRSYW TSHGDARDWD ILLAVGEVTK STAGGKITAS DATA SEQUENCE IKWGSPVSLK EFFPAEMEGM HTNQFLGGAG VAIVASNGNL VYPVQVTNKK DATA SEQUENCE KQVFSKIFYS EDEGKTWKFG KGRSAFGCSE PVALEWEGKL IINTRVDYRR DATA SEQUENCE RLVYESSDMG NTWLEAVGTL SRVWGPSPKS NQPGSQSSFT AVTIEGMRVM DATA SEQUENCE LFTHPLNFKG RWLRDRLNLW LTDNQRIYNV GQVSIGDENS AYSSVLYKDD DATA SEQUENCE KLYCLHEINS NEVYSLVFAR LVGELRIIKS VLQSWKNWDS HLSSIcTPAX DATA SEQUENCE XXXXXXXXGc GPAVTTVGLV GFLSHSATKT EWEDAYRCVN ASTANAERVP DATA SEQUENCE NGLKFAGVGG GALWPVSQQG QNQRYHFANH AFTLVASVTI HEVPKGASPL DATA SEQUENCE LGASLDSSGG KKLLGLSYDK RHQWQPIYGS TPVTPTGSWE MGKRYHVVLT DATA SEQUENCE MANKIGSVYI DGEPLEGSGQ TVVPDERTPD ISHFYVGGYK RSGMPTDSRV DATA SEQUENCE TVNNVLLYNR QLNAEEIRTL FLSQDLIGTE AHM 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.860 176.870 -0.016 0.000 1.165 1 L CA 0.000 54.827 54.840 -0.023 0.000 0.813 1 L CB 0.000 42.053 42.059 -0.011 0.000 0.961 2 A N 1.564 124.371 122.820 -0.021 0.000 2.547 2 A HA 0.503 4.824 4.320 0.001 0.000 0.233 2 A C -2.206 175.372 177.584 -0.010 0.000 1.067 2 A CA -0.521 51.506 52.037 -0.016 0.000 0.763 2 A CB -1.058 17.931 19.000 -0.019 0.000 1.007 2 A HN 0.641 nan 8.150 nan 0.000 0.506 3 P HA 0.116 nan 4.420 nan 0.000 0.259 3 P C 1.133 178.430 177.300 -0.005 0.000 1.163 3 P CA 2.295 65.393 63.100 -0.004 0.000 0.760 3 P CB 0.233 31.932 31.700 -0.002 0.000 0.762 4 G N 2.130 110.929 108.800 -0.003 0.000 2.284 4 G HA2 -0.260 3.700 3.960 0.001 0.000 0.247 4 G HA3 -0.260 3.700 3.960 0.001 0.000 0.247 4 G C 0.582 175.478 174.900 -0.006 0.000 1.012 4 G CA 0.191 45.288 45.100 -0.004 0.000 0.618 4 G HN 0.593 nan 8.290 nan 0.000 0.521 5 S N 0.400 116.094 115.700 -0.010 0.000 2.603 5 S HA 0.692 5.162 4.470 0.001 0.000 0.268 5 S C 0.418 175.018 174.600 -0.000 0.000 1.317 5 S CA 0.589 58.780 58.200 -0.014 0.000 1.012 5 S CB 1.490 64.679 63.200 -0.019 0.000 0.926 5 S HN 1.786 nan 8.310 nan 0.000 0.539 6 S N 1.154 116.856 115.700 0.003 0.000 2.588 6 S HA 0.796 5.266 4.470 0.001 0.000 0.269 6 S C -1.115 173.501 174.600 0.026 0.000 1.157 6 S CA -1.262 56.951 58.200 0.022 0.000 0.824 6 S CB 1.796 65.018 63.200 0.035 0.000 1.126 6 S HN 0.960 nan 8.310 nan 0.000 0.464 7 R N -0.608 119.918 120.500 0.043 0.000 2.764 7 R HA 0.863 5.203 4.340 0.001 0.000 0.270 7 R C -1.442 174.907 176.300 0.082 0.000 1.014 7 R CA -1.004 55.130 56.100 0.057 0.000 0.904 7 R CB 1.252 31.567 30.300 0.024 0.000 1.236 7 R HN 1.149 nan 8.270 nan 0.000 0.466 8 V N -2.347 117.640 119.914 0.121 0.000 3.001 8 V HA 0.522 4.642 4.120 0.001 0.000 0.314 8 V C -0.438 175.688 176.094 0.054 0.000 1.099 8 V CA -1.004 61.352 62.300 0.093 0.000 0.989 8 V CB 1.865 33.762 31.823 0.123 0.000 1.040 8 V HN 0.967 nan 8.190 nan 0.000 0.434 9 E N 1.393 121.597 120.200 0.008 0.000 1.941 9 E HA 0.245 4.595 4.350 0.001 0.000 0.275 9 E C 0.270 176.823 176.600 -0.078 0.000 1.113 9 E CA -0.484 55.900 56.400 -0.027 0.000 0.878 9 E CB 1.250 30.935 29.700 -0.025 0.000 1.070 9 E HN 0.761 nan 8.360 nan 0.000 0.399 10 L N 5.406 126.563 121.223 -0.111 0.000 2.034 10 L HA 0.146 4.486 4.340 0.001 0.000 0.203 10 L C 0.027 176.597 176.870 -0.500 0.000 1.074 10 L CA 1.549 56.191 54.840 -0.330 0.000 0.748 10 L CB 0.065 41.857 42.059 -0.445 0.000 0.905 10 L HN 0.427 nan 8.230 nan 0.000 0.439 11 F N 1.625 121.265 119.950 -0.517 0.000 2.335 11 F HA 0.314 4.841 4.527 0.000 0.000 0.365 11 F C 0.445 175.944 175.800 -0.502 0.000 1.122 11 F CA -0.402 57.087 58.000 -0.851 0.000 1.151 11 F CB 0.298 38.571 39.000 -1.212 0.000 1.282 11 F HN -0.086 nan 8.300 nan 0.000 0.513 12 K N 5.694 126.004 120.400 -0.151 0.000 2.264 12 K HA 0.266 4.586 4.320 0.001 0.000 0.277 12 K C 0.304 177.048 176.600 0.240 0.000 1.067 12 K CA -0.815 55.501 56.287 0.048 0.000 0.900 12 K CB 0.615 33.111 32.500 -0.007 0.000 1.124 12 K HN 0.673 nan 8.250 nan 0.000 0.469 13 R N 4.272 124.912 120.500 0.233 0.000 2.566 13 R HA -0.130 4.211 4.340 0.001 0.000 0.273 13 R C -0.415 175.913 176.300 0.047 0.000 0.981 13 R CA 0.578 56.771 56.100 0.155 0.000 1.091 13 R CB 0.014 30.337 30.300 0.039 0.000 0.924 13 R HN 0.807 nan 8.270 nan 0.000 0.411 14 Q N -0.179 119.614 119.800 -0.012 0.000 2.468 14 Q HA -0.297 4.043 4.340 0.001 0.000 0.256 14 Q C 0.217 176.233 176.000 0.026 0.000 0.984 14 Q CA 1.309 57.094 55.803 -0.029 0.000 1.110 14 Q CB -1.205 27.479 28.738 -0.089 0.000 1.527 14 Q HN 0.899 nan 8.270 nan 0.000 0.535 15 S N -1.981 113.767 115.700 0.080 0.000 3.916 15 S HA 0.127 4.597 4.470 0.001 0.000 0.231 15 S C 0.088 174.742 174.600 0.090 0.000 1.161 15 S CA 0.333 58.572 58.200 0.065 0.000 0.938 15 S CB 0.487 63.711 63.200 0.039 0.000 1.170 15 S HN 0.270 nan 8.310 nan 0.000 0.508 16 S N 2.712 118.493 115.700 0.136 0.000 2.552 16 S HA 0.313 4.784 4.470 0.001 0.000 0.289 16 S C -0.433 174.287 174.600 0.200 0.000 1.304 16 S CA 0.278 58.548 58.200 0.116 0.000 1.063 16 S CB 0.473 63.683 63.200 0.016 0.000 0.848 16 S HN 0.392 nan 8.310 nan 0.000 0.499 17 K N 1.309 121.784 120.400 0.124 0.000 2.208 17 K HA 0.692 5.012 4.320 0.001 0.000 0.247 17 K C -0.513 176.177 176.600 0.150 0.000 0.953 17 K CA -0.846 55.525 56.287 0.140 0.000 0.837 17 K CB 1.643 34.198 32.500 0.091 0.000 1.131 17 K HN 0.475 nan 8.250 nan 0.000 0.431 18 V N -1.433 118.600 119.914 0.198 0.000 3.040 18 V HA 0.598 4.719 4.120 0.001 0.000 0.312 18 V C -2.737 173.488 176.094 0.219 0.000 1.115 18 V CA -2.694 59.729 62.300 0.205 0.000 0.998 18 V CB 1.872 33.849 31.823 0.257 0.000 1.042 18 V HN 0.629 nan 8.190 nan 0.000 0.433 19 P HA 0.236 nan 4.420 nan 0.000 0.266 19 P C -0.912 176.497 177.300 0.181 0.000 1.586 19 P CA 0.103 63.296 63.100 0.155 0.000 1.088 19 P CB -0.028 31.733 31.700 0.102 0.000 1.584 20 F N 3.592 123.584 119.950 0.069 0.000 2.434 20 F HA 0.225 4.753 4.527 0.001 0.000 0.358 20 F C 0.510 176.301 175.800 -0.015 0.000 1.136 20 F CA -0.685 57.327 58.000 0.020 0.000 1.157 20 F CB 0.493 39.442 39.000 -0.085 0.000 1.167 20 F HN 0.231 nan 8.300 nan 0.000 0.539 21 E N 7.072 126.903 120.200 -0.615 0.000 2.156 21 E HA 0.294 4.644 4.350 0.001 0.000 0.279 21 E C -1.305 174.856 176.600 -0.731 0.000 0.965 21 E CA -0.721 55.387 56.400 -0.486 0.000 0.789 21 E CB 0.939 30.493 29.700 -0.243 0.000 1.098 21 E HN 0.704 nan 8.360 nan 0.000 0.397 22 K N 4.137 124.246 120.400 -0.485 0.000 2.553 22 K HA 0.142 4.462 4.320 0.001 0.000 0.250 22 K C -1.248 175.263 176.600 -0.148 0.000 0.953 22 K CA -0.508 55.583 56.287 -0.328 0.000 0.800 22 K CB 1.032 33.388 32.500 -0.241 0.000 1.243 22 K HN 0.514 nan 8.250 nan 0.000 0.435 23 D N 3.145 123.481 120.400 -0.108 0.000 2.708 23 D HA -0.186 4.454 4.640 0.001 0.000 0.236 23 D C 0.621 176.889 176.300 -0.054 0.000 1.146 23 D CA 2.016 55.978 54.000 -0.062 0.000 0.662 23 D CB -1.103 39.674 40.800 -0.038 0.000 1.059 23 D HN 1.096 nan 8.370 nan 0.000 0.428 24 G N -0.161 108.600 108.800 -0.065 0.000 2.168 24 G HA2 -0.374 3.587 3.960 0.001 0.000 0.263 24 G HA3 -0.374 3.587 3.960 0.001 0.000 0.263 24 G C 0.278 175.153 174.900 -0.040 0.000 0.977 24 G CA 0.904 45.976 45.100 -0.046 0.000 0.659 24 G HN 0.681 nan 8.290 nan 0.000 0.533 25 K N 0.094 120.463 120.400 -0.053 0.000 2.292 25 K HA 0.668 4.988 4.320 0.001 0.000 0.257 25 K C -0.482 176.090 176.600 -0.046 0.000 0.940 25 K CA -0.791 55.476 56.287 -0.033 0.000 0.811 25 K CB 2.079 34.571 32.500 -0.014 0.000 1.120 25 K HN 0.064 nan 8.250 nan 0.000 0.428 26 V N 2.792 122.697 119.914 -0.015 0.000 2.513 26 V HA 0.472 4.593 4.120 0.001 0.000 0.299 26 V C -0.610 175.513 176.094 0.048 0.000 1.035 26 V CA -0.619 61.683 62.300 0.002 0.000 0.889 26 V CB 1.800 33.629 31.823 0.009 0.000 0.988 26 V HN 0.906 nan 8.190 nan 0.000 0.440 27 T N 2.974 117.588 114.554 0.098 0.000 2.928 27 T HA 0.305 4.655 4.350 0.001 0.000 0.296 27 T C -0.664 174.119 174.700 0.139 0.000 1.000 27 T CA -0.622 61.546 62.100 0.114 0.000 0.989 27 T CB 1.579 70.530 68.868 0.138 0.000 1.005 27 T HN 0.603 nan 8.240 nan 0.000 0.442 28 E N 2.748 123.008 120.200 0.099 0.000 2.406 28 E HA 0.078 4.429 4.350 0.001 0.000 0.258 28 E C 0.086 176.746 176.600 0.100 0.000 1.043 28 E CA 0.229 56.690 56.400 0.102 0.000 0.929 28 E CB 0.625 30.367 29.700 0.070 0.000 0.969 28 E HN 0.391 nan 8.360 nan 0.000 0.462 29 R N 2.418 122.999 120.500 0.135 0.000 2.534 29 R HA 0.324 4.664 4.340 0.001 0.000 0.301 29 R C -0.758 175.618 176.300 0.127 0.000 0.961 29 R CA -0.714 55.442 56.100 0.093 0.000 0.871 29 R CB 1.170 31.484 30.300 0.022 0.000 1.170 29 R HN 0.203 nan 8.270 nan 0.000 0.446 30 V N 4.678 124.640 119.914 0.081 0.000 2.655 30 V HA 0.100 4.220 4.120 0.001 0.000 0.300 30 V C 0.063 176.211 176.094 0.090 0.000 1.044 30 V CA -0.164 62.188 62.300 0.087 0.000 1.095 30 V CB 1.353 33.207 31.823 0.053 0.000 0.952 30 V HN 0.468 nan 8.190 nan 0.000 0.485 31 V N 4.570 124.510 119.914 0.043 0.000 2.435 31 V HA 0.235 4.355 4.120 0.001 0.000 0.290 31 V C 1.062 177.058 176.094 -0.163 0.000 1.030 31 V CA -0.395 61.812 62.300 -0.155 0.000 0.881 31 V CB 1.182 32.686 31.823 -0.531 0.000 0.983 31 V HN 0.984 nan 8.190 nan 0.000 0.445 32 H N 3.004 121.953 119.070 -0.202 0.000 2.299 32 H HA 0.046 4.603 4.556 0.001 0.000 0.302 32 H C 0.415 175.660 175.328 -0.138 0.000 1.078 32 H CA 1.567 57.544 56.048 -0.117 0.000 1.323 32 H CB 0.679 30.398 29.762 -0.072 0.000 1.381 32 H HN 0.594 nan 8.280 nan 0.000 0.498 33 S N -0.828 114.836 115.700 -0.059 0.000 2.546 33 S HA 0.463 4.933 4.470 0.001 0.000 0.274 33 S C -1.524 172.860 174.600 -0.361 0.000 1.121 33 S CA -0.638 57.534 58.200 -0.046 0.000 0.887 33 S CB 1.916 65.254 63.200 0.230 0.000 1.094 33 S HN 0.200 nan 8.310 nan 0.000 0.474 34 F N 1.791 121.734 119.950 -0.012 0.000 2.493 34 F HA 0.646 5.174 4.527 0.000 0.000 0.329 34 F C 0.698 176.408 175.800 -0.150 0.000 1.126 34 F CA -0.652 57.280 58.000 -0.113 0.000 0.937 34 F CB 1.540 40.472 39.000 -0.113 0.000 1.146 34 F HN 0.232 nan 8.300 nan 0.000 0.442 35 R N 1.801 122.264 120.500 -0.062 0.000 2.831 35 R HA 0.582 4.923 4.340 0.001 0.000 0.266 35 R C -1.269 174.980 176.300 -0.084 0.000 1.051 35 R CA -1.175 54.842 56.100 -0.138 0.000 0.943 35 R CB 1.750 31.850 30.300 -0.333 0.000 1.228 35 R HN 0.561 nan 8.270 nan 0.000 0.467 36 L N 0.961 122.195 121.223 0.018 0.000 3.468 36 L HA -0.096 4.244 4.340 0.001 0.000 0.537 36 L C -2.284 174.595 176.870 0.014 0.000 1.321 36 L CA 0.250 55.141 54.840 0.085 0.000 0.899 36 L CB -1.749 40.325 42.059 0.025 0.000 1.635 36 L HN 0.567 nan 8.230 nan 0.000 0.856 37 P HA 0.378 nan 4.420 nan 0.000 0.271 37 P C -0.385 176.938 177.300 0.039 0.000 1.216 37 P CA -0.066 63.018 63.100 -0.027 0.000 0.776 37 P CB 1.676 33.373 31.700 -0.005 0.000 0.881 38 A N 3.563 126.410 122.820 0.045 0.000 2.414 38 A HA 0.556 4.876 4.320 0.001 0.000 0.286 38 A C -1.505 176.163 177.584 0.140 0.000 1.073 38 A CA -0.600 51.499 52.037 0.102 0.000 0.727 38 A CB 0.911 19.976 19.000 0.109 0.000 1.215 38 A HN 0.491 nan 8.150 nan 0.000 0.430 39 L N 4.214 125.542 121.223 0.174 0.000 2.349 39 L HA 0.832 5.172 4.340 0.001 0.000 0.278 39 L C -0.495 176.503 176.870 0.212 0.000 0.996 39 L CA -0.385 54.588 54.840 0.221 0.000 0.825 39 L CB 1.703 43.921 42.059 0.264 0.000 1.243 39 L HN 1.067 nan 8.230 nan 0.000 0.412 40 V N 1.906 121.945 119.914 0.209 0.000 3.181 40 V HA 0.729 4.850 4.120 0.001 0.000 0.308 40 V C -1.193 174.990 176.094 0.148 0.000 1.214 40 V CA -0.824 61.581 62.300 0.175 0.000 1.053 40 V CB 2.114 34.035 31.823 0.164 0.000 1.069 40 V HN 0.826 nan 8.190 nan 0.000 0.441 41 N N 0.790 119.560 118.700 0.116 0.000 2.446 41 N HA 0.631 5.372 4.740 0.001 0.000 0.265 41 N C -1.329 174.216 175.510 0.057 0.000 0.975 41 N CA -0.392 52.703 53.050 0.074 0.000 0.928 41 N CB 1.663 40.187 38.487 0.062 0.000 1.160 41 N HN 0.736 nan 8.380 nan 0.000 0.495 42 V N 3.556 123.491 119.914 0.034 0.000 2.325 42 V HA 0.272 4.392 4.120 0.001 0.000 0.280 42 V C 0.074 176.161 176.094 -0.013 0.000 1.016 42 V CA -0.671 61.635 62.300 0.010 0.000 0.818 42 V CB 0.827 32.644 31.823 -0.010 0.000 1.019 42 V HN 0.850 nan 8.190 nan 0.000 0.434 43 D N 4.197 124.591 120.400 -0.010 0.000 2.772 43 D HA -0.188 4.452 4.640 0.001 0.000 0.233 43 D C 1.322 177.607 176.300 -0.025 0.000 1.143 43 D CA 2.223 56.210 54.000 -0.021 0.000 0.700 43 D CB -1.066 39.713 40.800 -0.035 0.000 1.076 43 D HN 1.395 nan 8.370 nan 0.000 0.430 44 G N -2.533 106.255 108.800 -0.019 0.000 2.195 44 G HA2 -0.273 3.687 3.960 0.001 0.000 0.246 44 G HA3 -0.273 3.687 3.960 0.001 0.000 0.246 44 G C 0.344 175.220 174.900 -0.040 0.000 0.984 44 G CA 0.177 45.260 45.100 -0.028 0.000 0.633 44 G HN 0.906 nan 8.290 nan 0.000 0.525 45 V N 2.029 121.922 119.914 -0.035 0.000 2.432 45 V HA 0.600 4.720 4.120 0.001 0.000 0.275 45 V C 0.823 176.913 176.094 -0.007 0.000 1.043 45 V CA -0.284 61.995 62.300 -0.034 0.000 0.925 45 V CB 1.639 33.443 31.823 -0.031 0.000 0.985 45 V HN 0.407 nan 8.190 nan 0.000 0.466 46 M N 5.362 124.934 119.600 -0.046 0.000 2.162 46 M HA 0.410 4.890 4.480 0.001 0.000 0.356 46 M C -0.994 175.408 176.300 0.171 0.000 1.303 46 M CA 0.055 55.361 55.300 0.011 0.000 1.116 46 M CB 0.904 33.410 32.600 -0.156 0.000 1.632 46 M HN 0.502 nan 8.290 nan 0.000 0.469 47 V N 4.294 124.358 119.914 0.251 0.000 2.540 47 V HA 0.757 4.877 4.120 0.001 0.000 0.302 47 V C -0.472 175.835 176.094 0.354 0.000 1.035 47 V CA -0.888 61.617 62.300 0.342 0.000 0.873 47 V CB 1.565 33.551 31.823 0.272 0.000 0.992 47 V HN 0.893 nan 8.190 nan 0.000 0.428 48 A N 6.079 129.133 122.820 0.389 0.000 2.311 48 A HA 0.892 5.213 4.320 0.001 0.000 0.306 48 A C -0.889 176.853 177.584 0.264 0.000 1.189 48 A CA -0.387 51.827 52.037 0.294 0.000 0.791 48 A CB 0.634 19.783 19.000 0.249 0.000 1.172 48 A HN 0.768 nan 8.150 nan 0.000 0.481 49 I N 1.745 122.403 120.570 0.147 0.000 2.530 49 I HA 0.755 4.926 4.170 0.001 0.000 0.297 49 I C 0.359 176.442 176.117 -0.056 0.000 1.011 49 I CA -0.084 61.264 61.300 0.080 0.000 1.107 49 I CB 2.147 40.216 38.000 0.114 0.000 1.285 49 I HN 0.842 nan 8.210 nan 0.000 0.436 50 A N 3.837 126.598 122.820 -0.098 0.000 2.564 50 A HA 0.524 4.844 4.320 0.001 0.000 0.291 50 A C -1.844 175.685 177.584 -0.092 0.000 1.102 50 A CA -0.736 51.205 52.037 -0.160 0.000 0.660 50 A CB 1.083 19.840 19.000 -0.405 0.000 1.283 50 A HN 0.523 nan 8.150 nan 0.000 0.430 51 D N 1.070 121.411 120.400 -0.098 0.000 2.389 51 D HA 0.503 5.143 4.640 0.001 0.000 0.247 51 D C 0.124 176.348 176.300 -0.126 0.000 1.128 51 D CA 1.014 54.945 54.000 -0.116 0.000 0.884 51 D CB 1.390 42.103 40.800 -0.145 0.000 1.194 51 D HN 0.825 nan 8.370 nan 0.000 0.441 52 A N 3.966 126.649 122.820 -0.228 0.000 2.316 52 A HA 0.339 4.659 4.320 0.001 0.000 0.324 52 A C 0.010 177.207 177.584 -0.644 0.000 1.375 52 A CA -0.759 50.978 52.037 -0.500 0.000 0.882 52 A CB 0.322 19.040 19.000 -0.469 0.000 1.152 52 A HN 0.400 nan 8.150 nan 0.000 0.512 53 R N 3.032 123.213 120.500 -0.532 0.000 2.248 53 R HA 0.212 4.552 4.340 0.001 0.000 0.337 53 R C -0.314 175.790 176.300 -0.326 0.000 1.106 53 R CA -0.128 55.759 56.100 -0.356 0.000 0.959 53 R CB 0.211 30.364 30.300 -0.244 0.000 1.075 53 R HN 0.842 nan 8.270 nan 0.000 0.480 54 Y N 1.231 121.436 120.300 -0.157 0.000 2.128 54 Y HA -0.240 4.311 4.550 0.001 0.000 0.284 54 Y C 1.911 177.749 175.900 -0.105 0.000 1.154 54 Y CA 1.293 59.301 58.100 -0.153 0.000 1.149 54 Y CB 0.310 38.660 38.460 -0.183 0.000 0.976 54 Y HN 0.452 nan 8.280 nan 0.000 0.505 55 E N -1.511 118.702 120.200 0.022 0.000 2.485 55 E HA 0.146 4.496 4.350 0.001 0.000 0.213 55 E C 0.247 176.664 176.600 -0.305 0.000 0.923 55 E CA 0.482 56.847 56.400 -0.059 0.000 1.054 55 E CB 1.197 30.864 29.700 -0.055 0.000 1.077 55 E HN 0.202 nan 8.360 nan 0.000 0.509 56 T N -0.847 113.458 114.554 -0.414 0.000 2.827 56 T HA 0.098 4.448 4.350 0.001 0.000 0.328 56 T C 0.028 174.536 174.700 -0.319 0.000 1.598 56 T CA 0.074 61.781 62.100 -0.656 0.000 1.043 56 T CB 1.056 69.746 68.868 -0.297 0.000 1.447 56 T HN -0.078 nan 8.240 nan 0.000 0.491 57 S N 1.985 117.573 115.700 -0.187 0.000 2.593 57 S HA 0.230 4.700 4.470 0.001 0.000 0.217 57 S C 0.582 175.146 174.600 -0.060 0.000 0.966 57 S CA -0.390 57.773 58.200 -0.062 0.000 0.914 57 S CB -0.548 62.726 63.200 0.123 0.000 0.776 57 S HN 0.578 nan 8.310 nan 0.000 0.523 58 F N 3.770 123.625 119.950 -0.159 0.000 2.607 58 F HA 0.153 4.680 4.527 0.000 0.000 0.374 58 F C 0.992 176.712 175.800 -0.134 0.000 1.104 58 F CA -0.686 57.232 58.000 -0.137 0.000 1.296 58 F CB 0.371 39.302 39.000 -0.115 0.000 1.085 58 F HN -0.016 nan 8.300 nan 0.000 0.584 59 D N 2.536 122.477 120.400 -0.764 0.000 2.144 59 D HA -0.177 4.463 4.640 0.001 0.000 0.199 59 D C 0.307 176.336 176.300 -0.452 0.000 0.984 59 D CA 1.415 55.099 54.000 -0.526 0.000 0.834 59 D CB -0.088 40.445 40.800 -0.445 0.000 0.955 59 D HN 0.454 nan 8.370 nan 0.000 0.465 60 N N 0.993 119.296 118.700 -0.661 0.000 3.322 60 N HA 0.093 4.833 4.740 0.001 0.000 0.290 60 N C -0.279 175.247 175.510 0.026 0.000 1.297 60 N CA -0.024 52.868 53.050 -0.262 0.000 1.167 60 N CB 0.813 39.184 38.487 -0.194 0.000 1.434 60 N HN 0.063 nan 8.380 nan 0.000 0.526 61 S N -0.893 114.811 115.700 0.007 0.000 2.840 61 S HA 0.479 4.949 4.470 0.001 0.000 0.307 61 S C -0.611 174.012 174.600 0.038 0.000 1.180 61 S CA -0.906 57.332 58.200 0.063 0.000 0.846 61 S CB 1.284 64.528 63.200 0.074 0.000 1.233 61 S HN 0.113 nan 8.310 nan 0.000 0.548 62 L N 1.404 122.666 121.223 0.064 0.000 2.433 62 L HA 0.564 4.905 4.340 0.001 0.000 0.275 62 L C -1.138 175.827 176.870 0.158 0.000 1.128 62 L CA 0.293 55.210 54.840 0.127 0.000 0.875 62 L CB -0.682 41.462 42.059 0.142 0.000 1.171 62 L HN 0.571 nan 8.230 nan 0.000 0.463 63 I N 4.334 124.979 120.570 0.125 0.000 2.534 63 I HA 0.363 4.534 4.170 0.001 0.000 0.288 63 I C -0.997 175.162 176.117 0.070 0.000 1.077 63 I CA -0.766 60.541 61.300 0.012 0.000 1.051 63 I CB 1.931 39.896 38.000 -0.058 0.000 1.234 63 I HN 0.429 nan 8.210 nan 0.000 0.425 64 D N 3.105 123.523 120.400 0.029 0.000 2.340 64 D HA 0.420 5.060 4.640 0.001 0.000 0.243 64 D C -0.476 175.790 176.300 -0.057 0.000 0.988 64 D CA -0.248 53.785 54.000 0.056 0.000 0.959 64 D CB 2.250 43.168 40.800 0.197 0.000 1.226 64 D HN 0.315 nan 8.370 nan 0.000 0.509 65 T N 0.525 115.032 114.554 -0.077 0.000 2.743 65 T HA 0.353 4.703 4.350 0.001 0.000 0.293 65 T C -0.101 174.531 174.700 -0.112 0.000 0.945 65 T CA -0.374 61.658 62.100 -0.114 0.000 1.030 65 T CB 0.880 69.651 68.868 -0.162 0.000 0.912 65 T HN 0.070 nan 8.240 nan 0.000 0.483 66 V N 2.862 122.756 119.914 -0.033 0.000 2.630 66 V HA 0.893 5.014 4.120 0.001 0.000 0.305 66 V C -0.594 175.552 176.094 0.086 0.000 1.046 66 V CA -0.665 61.670 62.300 0.059 0.000 0.934 66 V CB 1.382 33.346 31.823 0.235 0.000 1.003 66 V HN 1.041 nan 8.190 nan 0.000 0.451 67 A N 5.908 128.800 122.820 0.120 0.000 2.393 67 A HA 0.826 5.147 4.320 0.001 0.000 0.306 67 A C -0.806 176.934 177.584 0.260 0.000 1.050 67 A CA -0.835 51.340 52.037 0.231 0.000 0.724 67 A CB 1.454 20.616 19.000 0.271 0.000 1.248 67 A HN 0.828 nan 8.150 nan 0.000 0.424 68 K N 0.955 121.514 120.400 0.265 0.000 2.316 68 K HA 0.629 4.949 4.320 0.001 0.000 0.251 68 K C -1.658 175.220 176.600 0.463 0.000 0.934 68 K CA -0.504 55.870 56.287 0.146 0.000 0.802 68 K CB 2.177 34.481 32.500 -0.328 0.000 1.171 68 K HN 0.757 nan 8.250 nan 0.000 0.426 69 Y N -1.884 118.646 120.300 0.384 0.000 2.492 69 Y HA 0.661 5.212 4.550 0.001 0.000 0.346 69 Y C -0.753 175.141 175.900 -0.011 0.000 0.997 69 Y CA -1.018 57.236 58.100 0.256 0.000 1.025 69 Y CB 2.063 40.610 38.460 0.144 0.000 1.263 69 Y HN 0.428 nan 8.280 nan 0.000 0.454 70 S N 1.760 117.318 115.700 -0.237 0.000 2.536 70 S HA 0.517 4.988 4.470 0.001 0.000 0.287 70 S C -0.071 174.341 174.600 -0.313 0.000 1.101 70 S CA -0.194 57.657 58.200 -0.582 0.000 0.950 70 S CB 1.535 63.829 63.200 -1.510 0.000 1.056 70 S HN 1.344 nan 8.310 nan 0.000 0.481 71 V N 0.656 120.434 119.914 -0.227 0.000 3.621 71 V HA 0.400 4.520 4.120 0.001 0.000 0.285 71 V C 0.224 176.218 176.094 -0.166 0.000 1.346 71 V CA 0.592 62.807 62.300 -0.141 0.000 1.104 71 V CB -0.288 31.493 31.823 -0.069 0.000 0.913 71 V HN 0.813 nan 8.190 nan 0.000 0.432 72 D N -0.659 119.594 120.400 -0.246 0.000 3.008 72 D HA 0.174 4.814 4.640 0.001 0.000 0.312 72 D C 0.007 176.175 176.300 -0.219 0.000 1.361 72 D CA -0.470 53.414 54.000 -0.194 0.000 0.858 72 D CB -0.586 40.113 40.800 -0.168 0.000 1.098 72 D HN 0.263 nan 8.370 nan 0.000 0.482 73 D N 0.454 120.709 120.400 -0.241 0.000 2.737 73 D HA -0.177 4.464 4.640 0.001 0.000 0.233 73 D C 1.292 177.456 176.300 -0.226 0.000 1.155 73 D CA 1.537 55.415 54.000 -0.204 0.000 0.667 73 D CB -1.358 39.438 40.800 -0.006 0.000 1.060 73 D HN 0.777 nan 8.370 nan 0.000 0.427 74 G N -0.316 108.118 108.800 -0.611 0.000 2.175 74 G HA2 -0.374 3.586 3.960 0.001 0.000 0.244 74 G HA3 -0.374 3.586 3.960 0.001 0.000 0.244 74 G C 0.766 175.477 174.900 -0.315 0.000 0.982 74 G CA 0.769 45.423 45.100 -0.742 0.000 0.641 74 G HN 0.448 nan 8.290 nan 0.000 0.527 75 E N 0.750 120.795 120.200 -0.257 0.000 2.072 75 E HA 0.158 4.508 4.350 0.001 0.000 0.190 75 E C 1.594 178.110 176.600 -0.140 0.000 0.982 75 E CA 2.010 58.350 56.400 -0.100 0.000 0.803 75 E CB 0.041 29.697 29.700 -0.074 0.000 0.755 75 E HN 0.926 nan 8.360 nan 0.000 0.453 76 T N -2.797 111.559 114.554 -0.329 0.000 2.906 76 T HA 0.614 4.964 4.350 0.001 0.000 0.295 76 T C -1.224 173.174 174.700 -0.504 0.000 1.061 76 T CA -0.925 61.024 62.100 -0.252 0.000 1.000 76 T CB 0.948 69.725 68.868 -0.153 0.000 1.103 76 T HN 0.116 nan 8.240 nan 0.000 0.486 77 W N 0.490 121.643 121.300 -0.245 0.000 3.022 77 W HA 0.574 5.234 4.660 0.000 0.000 0.335 77 W C -0.278 176.026 176.519 -0.359 0.000 1.133 77 W CA -0.751 56.397 57.345 -0.329 0.000 1.219 77 W CB 1.607 30.844 29.460 -0.372 0.000 1.409 77 W HN 0.605 nan 8.180 nan 0.000 0.507 78 E N 1.178 121.186 120.200 -0.319 0.000 2.248 78 E HA 0.601 4.951 4.350 0.001 0.000 0.272 78 E C -0.677 175.739 176.600 -0.307 0.000 1.008 78 E CA -0.494 55.658 56.400 -0.414 0.000 0.856 78 E CB 1.880 31.096 29.700 -0.808 0.000 1.120 78 E HN 0.227 nan 8.360 nan 0.000 0.397 79 T N 2.193 116.664 114.554 -0.139 0.000 2.848 79 T HA 0.400 4.750 4.350 0.001 0.000 0.285 79 T C -0.362 174.384 174.700 0.077 0.000 0.995 79 T CA -0.878 61.200 62.100 -0.038 0.000 0.970 79 T CB 1.475 70.302 68.868 -0.069 0.000 0.976 79 T HN 0.430 nan 8.240 nan 0.000 0.441 80 Q N 1.785 121.670 119.800 0.142 0.000 2.553 80 Q HA 0.643 4.983 4.340 0.001 0.000 0.293 80 Q C -1.602 174.446 176.000 0.080 0.000 1.038 80 Q CA -1.199 54.698 55.803 0.156 0.000 0.777 80 Q CB 1.512 30.418 28.738 0.280 0.000 1.487 80 Q HN 0.347 nan 8.270 nan 0.000 0.426 81 I N 1.956 122.544 120.570 0.030 0.000 2.307 81 I HA 0.257 4.427 4.170 0.001 0.000 0.289 81 I C 0.813 176.768 176.117 -0.270 0.000 1.021 81 I CA -0.219 61.048 61.300 -0.055 0.000 1.224 81 I CB 0.669 38.681 38.000 0.019 0.000 1.376 81 I HN 1.001 nan 8.210 nan 0.000 0.470 82 A N 7.865 130.336 122.820 -0.580 0.000 1.897 82 A HA 0.140 4.460 4.320 0.001 0.000 0.215 82 A C 0.934 178.070 177.584 -0.747 0.000 1.181 82 A CA 1.171 52.373 52.037 -1.392 0.000 0.620 82 A CB 0.094 17.934 19.000 -1.933 0.000 0.821 82 A HN 0.616 nan 8.150 nan 0.000 0.443 83 I N -0.080 120.249 120.570 -0.403 0.000 2.571 83 I HA 0.244 4.414 4.170 0.001 0.000 0.289 83 I C -0.880 175.167 176.117 -0.117 0.000 1.115 83 I CA -0.884 60.292 61.300 -0.207 0.000 1.045 83 I CB 2.277 40.170 38.000 -0.178 0.000 1.238 83 I HN 0.247 nan 8.210 nan 0.000 0.424 84 K N 5.151 125.506 120.400 -0.076 0.000 2.110 84 K HA 0.463 4.783 4.320 0.001 0.000 0.263 84 K C -0.372 176.208 176.600 -0.033 0.000 0.975 84 K CA -0.776 55.489 56.287 -0.037 0.000 0.895 84 K CB 1.394 33.858 32.500 -0.060 0.000 1.060 84 K HN 0.686 nan 8.250 nan 0.000 0.448 85 N N 0.767 119.471 118.700 0.005 0.000 2.294 85 N HA -0.108 4.632 4.740 0.001 0.000 0.248 85 N C 0.586 176.087 175.510 -0.015 0.000 1.300 85 N CA -0.137 52.914 53.050 0.000 0.000 0.925 85 N CB 0.714 39.228 38.487 0.045 0.000 1.188 85 N HN 0.779 nan 8.380 nan 0.000 0.512 86 S N -0.624 115.065 115.700 -0.018 0.000 2.474 86 S HA -0.088 4.383 4.470 0.001 0.000 0.235 86 S C 0.673 175.265 174.600 -0.013 0.000 0.997 86 S CA 0.024 58.209 58.200 -0.026 0.000 0.949 86 S CB -0.370 62.813 63.200 -0.029 0.000 0.766 86 S HN 0.703 nan 8.310 nan 0.000 0.517 87 R N -0.553 119.952 120.500 0.009 0.000 3.953 87 R HA -0.203 4.138 4.340 0.001 0.000 0.340 87 R C 1.212 177.523 176.300 0.017 0.000 1.195 87 R CA 0.883 56.995 56.100 0.019 0.000 0.929 87 R CB -2.662 27.632 30.300 -0.010 0.000 1.402 87 R HN 0.676 nan 8.270 nan 0.000 0.540 88 A N 0.486 123.316 122.820 0.016 0.000 1.969 88 A HA -0.012 4.308 4.320 0.001 0.000 0.218 88 A C 1.166 178.764 177.584 0.022 0.000 1.169 88 A CA 1.712 53.758 52.037 0.015 0.000 0.635 88 A CB 0.053 19.061 19.000 0.013 0.000 0.810 88 A HN 0.711 nan 8.150 nan 0.000 0.445 89 S N -3.040 112.680 115.700 0.032 0.000 2.727 89 S HA 0.367 4.837 4.470 0.001 0.000 0.278 89 S C 0.682 175.304 174.600 0.037 0.000 1.186 89 S CA 0.397 58.616 58.200 0.032 0.000 0.836 89 S CB 0.592 63.813 63.200 0.035 0.000 1.186 89 S HN 0.817 nan 8.310 nan 0.000 0.499 90 S N -0.220 115.497 115.700 0.029 0.000 2.555 90 S HA -0.009 4.461 4.470 0.001 0.000 0.230 90 S C 1.290 175.914 174.600 0.040 0.000 0.978 90 S CA 0.798 59.012 58.200 0.024 0.000 0.934 90 S CB -0.896 62.310 63.200 0.009 0.000 0.766 90 S HN 1.738 nan 8.310 nan 0.000 0.533 91 V N -1.987 117.959 119.914 0.054 0.000 3.176 91 V HA 0.456 4.577 4.120 0.001 0.000 0.332 91 V C 0.126 176.264 176.094 0.074 0.000 1.414 91 V CA -0.704 61.636 62.300 0.067 0.000 1.133 91 V CB -0.411 31.460 31.823 0.080 0.000 1.088 91 V HN 0.248 nan 8.190 nan 0.000 0.473 92 S N 3.264 119.009 115.700 0.075 0.000 2.560 92 S HA 0.605 5.076 4.470 0.001 0.000 0.284 92 S C 0.152 174.802 174.600 0.084 0.000 1.327 92 S CA -0.182 58.066 58.200 0.080 0.000 1.055 92 S CB 0.273 63.510 63.200 0.062 0.000 0.868 92 S HN 0.937 nan 8.310 nan 0.000 0.506 93 R N -0.418 120.133 120.500 0.085 0.000 2.604 93 R HA 0.528 4.868 4.340 0.001 0.000 0.261 93 R C -1.690 174.639 176.300 0.048 0.000 1.080 93 R CA -1.017 55.121 56.100 0.064 0.000 0.917 93 R CB 0.386 30.714 30.300 0.046 0.000 1.252 93 R HN 0.387 nan 8.270 nan 0.000 0.456 94 V N -0.002 119.910 119.914 -0.004 0.000 2.472 94 V HA 0.833 4.954 4.120 0.001 0.000 0.290 94 V C 0.477 176.535 176.094 -0.060 0.000 1.037 94 V CA -0.618 61.651 62.300 -0.052 0.000 0.908 94 V CB 1.051 32.822 31.823 -0.087 0.000 0.985 94 V HN 0.728 nan 8.190 nan 0.000 0.454 95 V N -0.210 119.657 119.914 -0.078 0.000 3.160 95 V HA 0.702 4.822 4.120 0.001 0.000 0.310 95 V C -0.296 175.718 176.094 -0.134 0.000 1.181 95 V CA -0.817 61.426 62.300 -0.095 0.000 1.047 95 V CB 1.698 33.471 31.823 -0.082 0.000 1.068 95 V HN 0.845 nan 8.190 nan 0.000 0.441 96 D N 0.741 121.070 120.400 -0.119 0.000 2.704 96 D HA -0.103 4.538 4.640 0.001 0.000 0.232 96 D C -2.317 173.920 176.300 -0.106 0.000 1.183 96 D CA 1.266 55.201 54.000 -0.109 0.000 0.647 96 D CB -1.131 39.571 40.800 -0.162 0.000 1.013 96 D HN 0.790 nan 8.370 nan 0.000 0.415 97 P HA 0.009 nan 4.420 nan 0.000 0.263 97 P C -0.273 177.024 177.300 -0.006 0.000 1.195 97 P CA 0.407 63.471 63.100 -0.061 0.000 0.762 97 P CB 0.811 32.482 31.700 -0.048 0.000 0.799 98 T N 3.002 117.558 114.554 0.003 0.000 2.812 98 T HA 0.395 4.746 4.350 0.001 0.000 0.282 98 T C -0.055 174.821 174.700 0.293 0.000 0.990 98 T CA -0.485 61.687 62.100 0.120 0.000 0.960 98 T CB 1.210 70.113 68.868 0.058 0.000 0.948 98 T HN 0.066 nan 8.240 nan 0.000 0.438 99 V N 4.510 124.622 119.914 0.330 0.000 2.513 99 V HA 0.605 4.726 4.120 0.001 0.000 0.299 99 V C -0.279 176.008 176.094 0.321 0.000 1.035 99 V CA -0.850 61.657 62.300 0.345 0.000 0.889 99 V CB 1.649 33.624 31.823 0.253 0.000 0.988 99 V HN 0.802 nan 8.190 nan 0.000 0.440 100 I N 3.574 124.333 120.570 0.316 0.000 2.608 100 I HA 0.524 4.695 4.170 0.001 0.000 0.295 100 I C -0.854 175.412 176.117 0.247 0.000 1.049 100 I CA -0.953 60.464 61.300 0.195 0.000 1.063 100 I CB 2.432 40.450 38.000 0.031 0.000 1.248 100 I HN 0.266 nan 8.210 nan 0.000 0.424 101 V N 5.626 125.644 119.914 0.173 0.000 2.398 101 V HA 0.431 4.551 4.120 0.001 0.000 0.286 101 V C -0.222 175.958 176.094 0.142 0.000 1.026 101 V CA -0.582 61.812 62.300 0.156 0.000 0.868 101 V CB 1.616 33.504 31.823 0.109 0.000 0.982 101 V HN 0.611 nan 8.190 nan 0.000 0.443 102 K N 3.220 123.725 120.400 0.175 0.000 2.578 102 K HA 0.588 4.908 4.320 0.001 0.000 0.250 102 K C 0.617 177.271 176.600 0.091 0.000 0.955 102 K CA 0.360 56.725 56.287 0.131 0.000 0.825 102 K CB 1.556 34.156 32.500 0.165 0.000 1.151 102 K HN 0.938 nan 8.250 nan 0.000 0.432 103 G N 3.542 112.369 108.800 0.045 0.000 2.622 103 G HA2 -0.410 3.551 3.960 0.001 0.000 0.307 103 G HA3 -0.410 3.551 3.960 0.001 0.000 0.307 103 G C 0.272 175.169 174.900 -0.004 0.000 1.226 103 G CA 0.634 45.743 45.100 0.016 0.000 0.997 103 G HN 0.818 nan 8.290 nan 0.000 0.551 104 N N 1.421 120.103 118.700 -0.030 0.000 2.314 104 N HA 0.121 4.861 4.740 0.001 0.000 0.200 104 N C 0.289 175.733 175.510 -0.110 0.000 1.135 104 N CA 0.656 53.666 53.050 -0.067 0.000 0.835 104 N CB 0.226 38.664 38.487 -0.081 0.000 0.989 104 N HN 0.719 nan 8.380 nan 0.000 0.478 105 K N 0.536 120.882 120.400 -0.090 0.000 2.164 105 K HA 0.435 4.755 4.320 0.001 0.000 0.258 105 K C -0.739 175.764 176.600 -0.163 0.000 0.951 105 K CA -0.623 55.548 56.287 -0.194 0.000 0.844 105 K CB 2.174 34.519 32.500 -0.258 0.000 1.099 105 K HN 0.003 nan 8.250 nan 0.000 0.435 106 L N 3.895 124.971 121.223 -0.245 0.000 2.276 106 L HA 0.341 4.681 4.340 0.001 0.000 0.286 106 L C -1.081 175.727 176.870 -0.102 0.000 1.024 106 L CA -0.737 54.061 54.840 -0.069 0.000 0.826 106 L CB 0.395 42.435 42.059 -0.033 0.000 1.211 106 L HN 0.505 nan 8.230 nan 0.000 0.422 107 Y N 3.161 123.580 120.300 0.198 0.000 2.367 107 Y HA 0.417 4.967 4.550 0.000 0.000 0.342 107 Y C 0.026 176.133 175.900 0.344 0.000 0.979 107 Y CA -0.553 57.713 58.100 0.277 0.000 1.161 107 Y CB 1.361 40.002 38.460 0.301 0.000 1.155 107 Y HN 0.158 nan 8.280 nan 0.000 0.503 108 V N 5.971 126.121 119.914 0.393 0.000 2.407 108 V HA 0.310 4.430 4.120 0.001 0.000 0.291 108 V C -0.808 175.350 176.094 0.107 0.000 1.018 108 V CA -0.820 61.642 62.300 0.270 0.000 0.842 108 V CB 1.597 33.545 31.823 0.208 0.000 0.996 108 V HN 0.501 nan 8.190 nan 0.000 0.426 109 L N 7.856 129.046 121.223 -0.055 0.000 2.287 109 L HA 0.846 5.186 4.340 0.001 0.000 0.287 109 L C -0.327 176.373 176.870 -0.284 0.000 1.022 109 L CA -0.018 54.643 54.840 -0.299 0.000 0.814 109 L CB 1.589 43.187 42.059 -0.768 0.000 1.217 109 L HN 0.583 nan 8.230 nan 0.000 0.420 110 V N 1.905 121.653 119.914 -0.276 0.000 2.962 110 V HA 0.953 5.073 4.120 0.001 0.000 0.313 110 V C 0.309 176.196 176.094 -0.346 0.000 1.099 110 V CA -0.356 61.785 62.300 -0.266 0.000 0.971 110 V CB 1.212 32.920 31.823 -0.192 0.000 1.028 110 V HN 0.857 nan 8.190 nan 0.000 0.430 111 G N 0.743 109.353 108.800 -0.317 0.000 2.476 111 G HA2 0.505 4.465 3.960 0.001 0.000 0.269 111 G HA3 0.505 4.465 3.960 0.001 0.000 0.269 111 G C -0.354 174.358 174.900 -0.314 0.000 1.195 111 G CA -0.115 44.770 45.100 -0.358 0.000 0.843 111 G HN 1.160 nan 8.290 nan 0.000 0.545 112 S N 0.334 115.720 115.700 -0.523 0.000 2.605 112 S HA 0.652 5.122 4.470 0.001 0.000 0.308 112 S C -1.437 172.869 174.600 -0.489 0.000 1.113 112 S CA -0.617 57.362 58.200 -0.369 0.000 1.049 112 S CB 0.422 63.410 63.200 -0.353 0.000 1.001 112 S HN 0.422 nan 8.310 nan 0.000 0.480 113 Y N 3.298 123.558 120.300 -0.067 0.000 2.446 113 Y HA 0.491 5.041 4.550 0.001 0.000 0.345 113 Y C 1.199 177.103 175.900 0.006 0.000 0.984 113 Y CA -0.897 57.210 58.100 0.010 0.000 1.058 113 Y CB 1.627 40.125 38.460 0.062 0.000 1.220 113 Y HN 0.571 nan 8.280 nan 0.000 0.455 114 N N 0.024 118.820 118.700 0.159 0.000 2.428 114 N HA -0.048 4.692 4.740 0.001 0.000 0.181 114 N C 0.983 176.549 175.510 0.094 0.000 1.028 114 N CA 1.381 54.483 53.050 0.088 0.000 0.877 114 N CB 0.231 38.745 38.487 0.045 0.000 1.064 114 N HN 0.616 nan 8.380 nan 0.000 0.434 115 S N -1.351 114.415 115.700 0.109 0.000 2.700 115 S HA 0.101 4.571 4.470 0.001 0.000 0.272 115 S C 0.238 174.885 174.600 0.078 0.000 1.052 115 S CA -0.470 57.777 58.200 0.079 0.000 1.317 115 S CB -0.427 62.804 63.200 0.051 0.000 1.212 115 S HN 0.154 nan 8.310 nan 0.000 0.675 116 S N 1.514 117.275 115.700 0.102 0.000 2.568 116 S HA 0.476 4.946 4.470 0.001 0.000 0.282 116 S C 0.426 175.079 174.600 0.089 0.000 1.338 116 S CA -0.417 57.825 58.200 0.070 0.000 1.045 116 S CB 0.819 64.059 63.200 0.068 0.000 0.873 116 S HN 0.290 nan 8.310 nan 0.000 0.516 117 R N 0.848 121.404 120.500 0.093 0.000 2.468 117 R HA 0.280 4.621 4.340 0.001 0.000 0.280 117 R C 0.136 176.548 176.300 0.186 0.000 0.963 117 R CA 0.108 56.298 56.100 0.150 0.000 1.083 117 R CB 0.214 30.593 30.300 0.131 0.000 1.200 117 R HN 0.848 nan 8.270 nan 0.000 0.541 118 S N -1.676 114.124 115.700 0.166 0.000 2.607 118 S HA 0.324 4.794 4.470 0.001 0.000 0.303 118 S C -0.664 174.058 174.600 0.204 0.000 1.086 118 S CA -0.892 57.429 58.200 0.202 0.000 0.995 118 S CB 1.294 64.612 63.200 0.196 0.000 1.084 118 S HN 0.169 nan 8.310 nan 0.000 0.507 119 Y N 3.999 124.294 120.300 -0.007 0.000 2.620 119 Y HA 0.086 4.637 4.550 0.001 0.000 0.330 119 Y C 1.645 177.416 175.900 -0.216 0.000 1.186 119 Y CA -0.421 57.614 58.100 -0.109 0.000 1.467 119 Y CB 0.414 38.809 38.460 -0.109 0.000 1.262 119 Y HN 0.913 nan 8.280 nan 0.000 0.550 120 W N 4.479 125.133 121.300 -1.076 0.000 2.290 120 W HA -0.331 4.330 4.660 0.000 0.000 0.311 120 W C 1.414 177.416 176.519 -0.863 0.000 1.238 120 W CA 2.632 59.228 57.345 -1.249 0.000 1.255 120 W CB -1.860 27.067 29.460 -0.889 0.000 1.145 120 W HN 0.626 nan 8.180 nan 0.000 0.506 121 T N -1.387 112.263 114.554 -1.507 0.000 3.072 121 T HA -0.026 4.324 4.350 0.001 0.000 0.266 121 T C 1.720 176.183 174.700 -0.395 0.000 1.127 121 T CA 1.417 62.898 62.100 -1.031 0.000 1.107 121 T CB -0.485 67.869 68.868 -0.857 0.000 0.910 121 T HN 0.145 nan 8.240 nan 0.000 0.513 122 S N 0.175 115.755 115.700 -0.201 0.000 2.470 122 S HA 0.096 4.566 4.470 0.001 0.000 0.225 122 S C 0.279 174.952 174.600 0.122 0.000 1.006 122 S CA -0.239 57.980 58.200 0.031 0.000 0.934 122 S CB -0.305 62.979 63.200 0.140 0.000 0.778 122 S HN 0.638 nan 8.310 nan 0.000 0.517 123 H N 0.826 119.857 119.070 -0.065 0.000 3.034 123 H HA 0.187 4.743 4.556 0.001 0.000 0.324 123 H C 1.419 176.734 175.328 -0.021 0.000 1.015 123 H CA 0.031 56.071 56.048 -0.014 0.000 1.429 123 H CB 0.170 29.949 29.762 0.027 0.000 1.429 123 H HN 0.223 nan 8.280 nan 0.000 0.585 124 G N 1.922 110.777 108.800 0.093 0.000 2.880 124 G HA2 0.037 3.997 3.960 0.001 0.000 0.209 124 G HA3 0.037 3.997 3.960 0.001 0.000 0.209 124 G C -0.196 174.733 174.900 0.049 0.000 1.157 124 G CA 0.496 45.624 45.100 0.047 0.000 0.779 124 G HN 0.741 nan 8.290 nan 0.000 0.539 125 D N -2.758 117.688 120.400 0.077 0.000 2.759 125 D HA 0.530 5.170 4.640 0.001 0.000 0.321 125 D C 0.166 176.549 176.300 0.138 0.000 1.267 125 D CA -0.183 53.866 54.000 0.082 0.000 0.933 125 D CB 0.824 41.658 40.800 0.058 0.000 1.431 125 D HN -0.053 nan 8.370 nan 0.000 0.504 126 A N -0.662 122.250 122.820 0.153 0.000 2.535 126 A HA 0.237 4.557 4.320 0.001 0.000 0.273 126 A C 1.337 179.087 177.584 0.276 0.000 1.267 126 A CA -0.371 51.813 52.037 0.244 0.000 0.940 126 A CB -0.414 18.753 19.000 0.278 0.000 1.101 126 A HN 0.418 nan 8.150 nan 0.000 0.521 127 R N -0.283 120.324 120.500 0.179 0.000 2.189 127 R HA -0.114 4.227 4.340 0.001 0.000 0.223 127 R C 0.739 177.119 176.300 0.134 0.000 1.092 127 R CA 1.495 57.675 56.100 0.132 0.000 0.989 127 R CB -0.015 30.330 30.300 0.075 0.000 0.876 127 R HN 0.469 nan 8.270 nan 0.000 0.457 128 D N -1.163 119.353 120.400 0.194 0.000 2.369 128 D HA -0.013 4.628 4.640 0.001 0.000 0.211 128 D C -0.683 175.722 176.300 0.176 0.000 1.077 128 D CA -0.150 53.971 54.000 0.201 0.000 0.842 128 D CB 0.328 41.285 40.800 0.261 0.000 0.947 128 D HN 0.093 nan 8.370 nan 0.000 0.509 129 W N 0.675 121.915 121.300 -0.101 0.000 2.666 129 W HA 0.555 5.215 4.660 0.000 0.000 0.334 129 W C -1.171 175.157 176.519 -0.320 0.000 1.051 129 W CA -0.666 56.437 57.345 -0.403 0.000 1.224 129 W CB 1.309 30.612 29.460 -0.261 0.000 1.405 129 W HN -0.308 nan 8.180 nan 0.000 0.513 130 D N 3.389 122.951 120.400 -1.398 0.000 2.596 130 D HA 0.408 5.048 4.640 0.001 0.000 0.262 130 D C -1.982 173.302 176.300 -1.693 0.000 1.210 130 D CA -0.624 52.478 54.000 -1.496 0.000 0.873 130 D CB 2.280 42.642 40.800 -0.730 0.000 1.408 130 D HN 0.312 nan 8.370 nan 0.000 0.441 131 I N 1.932 121.748 120.570 -1.257 0.000 2.468 131 I HA 0.437 4.608 4.170 0.001 0.000 0.285 131 I C -1.603 174.187 176.117 -0.544 0.000 1.039 131 I CA -0.374 60.375 61.300 -0.917 0.000 1.074 131 I CB 0.957 38.319 38.000 -1.064 0.000 1.228 131 I HN 0.316 nan 8.210 nan 0.000 0.436 132 L N 7.034 128.004 121.223 -0.420 0.000 2.354 132 L HA 0.643 4.983 4.340 0.001 0.000 0.269 132 L C -1.228 175.533 176.870 -0.182 0.000 1.005 132 L CA -1.101 53.589 54.840 -0.251 0.000 0.819 132 L CB 2.023 43.955 42.059 -0.213 0.000 1.311 132 L HN 0.445 nan 8.230 nan 0.000 0.423 133 L N 2.190 123.371 121.223 -0.071 0.000 2.356 133 L HA 0.855 5.196 4.340 0.001 0.000 0.277 133 L C -0.586 176.340 176.870 0.094 0.000 0.996 133 L CA -0.108 54.750 54.840 0.029 0.000 0.822 133 L CB 1.606 43.728 42.059 0.106 0.000 1.256 133 L HN 0.712 nan 8.230 nan 0.000 0.413 134 A N 4.550 127.451 122.820 0.134 0.000 2.365 134 A HA 0.851 5.172 4.320 0.001 0.000 0.318 134 A C -1.451 176.268 177.584 0.225 0.000 1.091 134 A CA -0.575 51.569 52.037 0.179 0.000 0.763 134 A CB 1.732 20.846 19.000 0.190 0.000 1.248 134 A HN 0.462 nan 8.150 nan 0.000 0.442 135 V N 1.325 121.323 119.914 0.141 0.000 2.495 135 V HA 0.697 4.818 4.120 0.001 0.000 0.298 135 V C 0.690 176.704 176.094 -0.134 0.000 1.031 135 V CA -0.174 62.088 62.300 -0.063 0.000 0.871 135 V CB 1.760 33.474 31.823 -0.182 0.000 0.988 135 V HN 1.170 nan 8.190 nan 0.000 0.432 136 G N 2.673 111.212 108.800 -0.436 0.000 2.368 136 G HA2 0.601 4.562 3.960 0.001 0.000 0.320 136 G HA3 0.601 4.562 3.960 0.001 0.000 0.320 136 G C -0.843 173.646 174.900 -0.685 0.000 1.158 136 G CA -0.330 44.148 45.100 -1.035 0.000 0.912 136 G HN 0.690 nan 8.290 nan 0.000 0.456 137 E N 1.888 121.760 120.200 -0.546 0.000 2.156 137 E HA 0.443 4.794 4.350 0.001 0.000 0.279 137 E C -0.751 175.633 176.600 -0.359 0.000 0.965 137 E CA -0.550 55.631 56.400 -0.366 0.000 0.789 137 E CB 1.691 31.244 29.700 -0.247 0.000 1.098 137 E HN 0.202 nan 8.360 nan 0.000 0.397 138 V N 4.361 124.099 119.914 -0.294 0.000 2.394 138 V HA 0.349 4.470 4.120 0.001 0.000 0.282 138 V C 0.179 176.157 176.094 -0.193 0.000 1.031 138 V CA -0.461 61.676 62.300 -0.272 0.000 0.881 138 V CB 1.233 32.919 31.823 -0.228 0.000 0.982 138 V HN 0.831 nan 8.190 nan 0.000 0.451 139 T N 2.377 116.820 114.554 -0.184 0.000 2.907 139 T HA 0.730 5.080 4.350 0.001 0.000 0.292 139 T C -0.793 173.841 174.700 -0.110 0.000 1.043 139 T CA -1.040 60.985 62.100 -0.126 0.000 1.003 139 T CB 2.354 71.158 68.868 -0.106 0.000 1.084 139 T HN 0.516 nan 8.240 nan 0.000 0.483 140 K N 0.659 121.012 120.400 -0.077 0.000 2.385 140 K HA 0.751 5.071 4.320 0.001 0.000 0.248 140 K C -0.947 175.627 176.600 -0.042 0.000 0.955 140 K CA -0.937 55.315 56.287 -0.058 0.000 0.816 140 K CB 2.310 34.780 32.500 -0.051 0.000 1.250 140 K HN 0.676 nan 8.250 nan 0.000 0.434 141 S N -0.165 115.517 115.700 -0.031 0.000 2.549 141 S HA 0.295 4.765 4.470 0.001 0.000 0.280 141 S C -0.042 174.546 174.600 -0.019 0.000 1.109 141 S CA -0.599 57.587 58.200 -0.024 0.000 0.905 141 S CB 1.341 64.529 63.200 -0.019 0.000 1.081 141 S HN 0.663 nan 8.310 nan 0.000 0.477 142 T N 1.090 115.634 114.554 -0.018 0.000 3.223 142 T HA 0.548 4.898 4.350 0.001 0.000 0.259 142 T C 0.602 175.294 174.700 -0.013 0.000 1.015 142 T CA 0.067 62.158 62.100 -0.016 0.000 0.908 142 T CB -0.154 68.704 68.868 -0.016 0.000 1.054 142 T HN 0.845 nan 8.240 nan 0.000 0.567 143 A N 0.587 123.400 122.820 -0.012 0.000 2.498 143 A HA 0.561 4.881 4.320 0.001 0.000 0.239 143 A C 1.662 179.241 177.584 -0.009 0.000 1.068 143 A CA 0.247 52.278 52.037 -0.010 0.000 0.766 143 A CB -0.935 18.060 19.000 -0.008 0.000 1.003 143 A HN 1.525 nan 8.150 nan 0.000 0.497 144 G N 0.673 109.469 108.800 -0.008 0.000 2.148 144 G HA2 0.165 4.126 3.960 0.001 0.000 0.254 144 G HA3 0.165 4.126 3.960 0.001 0.000 0.254 144 G C 1.599 176.494 174.900 -0.009 0.000 0.981 144 G CA 0.921 46.016 45.100 -0.008 0.000 0.670 144 G HN 2.820 nan 8.290 nan 0.000 0.528 145 G N -0.825 107.969 108.800 -0.010 0.000 2.153 145 G HA2 -0.105 3.855 3.960 0.001 0.000 0.252 145 G HA3 -0.105 3.855 3.960 0.001 0.000 0.252 145 G C 0.271 175.163 174.900 -0.013 0.000 0.994 145 G CA 1.712 46.806 45.100 -0.011 0.000 0.698 145 G HN 1.932 nan 8.290 nan 0.000 0.521 146 K N -0.901 119.491 120.400 -0.013 0.000 2.433 146 K HA 0.821 5.141 4.320 0.001 0.000 0.252 146 K C -0.495 176.095 176.600 -0.017 0.000 1.015 146 K CA -1.471 54.806 56.287 -0.016 0.000 0.860 146 K CB 1.789 34.279 32.500 -0.016 0.000 1.359 146 K HN -0.046 nan 8.250 nan 0.000 0.452 147 I N 2.120 122.677 120.570 -0.021 0.000 2.342 147 I HA 0.214 4.384 4.170 0.001 0.000 0.291 147 I C -0.486 175.622 176.117 -0.014 0.000 1.010 147 I CA -0.204 61.083 61.300 -0.021 0.000 1.308 147 I CB 0.905 38.888 38.000 -0.028 0.000 1.400 147 I HN 0.670 nan 8.210 nan 0.000 0.488 148 T N 5.753 120.304 114.554 -0.006 0.000 2.841 148 T HA 0.685 5.036 4.350 0.001 0.000 0.285 148 T C 0.013 174.723 174.700 0.016 0.000 0.991 148 T CA -0.496 61.613 62.100 0.014 0.000 0.966 148 T CB 1.928 70.805 68.868 0.014 0.000 0.962 148 T HN 0.709 nan 8.240 nan 0.000 0.438 149 A N 2.617 125.473 122.820 0.060 0.000 2.294 149 A HA 0.904 5.224 4.320 0.001 0.000 0.330 149 A C -0.153 177.410 177.584 -0.036 0.000 1.133 149 A CA -0.637 51.396 52.037 -0.007 0.000 0.836 149 A CB 0.967 19.951 19.000 -0.027 0.000 1.190 149 A HN 0.724 nan 8.150 nan 0.000 0.492 150 S N -0.214 115.363 115.700 -0.206 0.000 2.549 150 S HA 0.720 5.190 4.470 0.001 0.000 0.280 150 S C -0.952 173.404 174.600 -0.406 0.000 1.109 150 S CA -0.307 57.751 58.200 -0.237 0.000 0.905 150 S CB 1.271 64.402 63.200 -0.116 0.000 1.081 150 S HN 0.546 nan 8.310 nan 0.000 0.477 151 I N 2.042 122.371 120.570 -0.403 0.000 2.512 151 I HA 0.419 4.589 4.170 0.001 0.000 0.287 151 I C -0.912 174.991 176.117 -0.357 0.000 1.069 151 I CA -0.794 60.230 61.300 -0.461 0.000 1.056 151 I CB 2.018 39.702 38.000 -0.527 0.000 1.229 151 I HN 0.316 nan 8.210 nan 0.000 0.429 152 K N 6.148 126.309 120.400 -0.398 0.000 2.293 152 K HA 0.356 4.676 4.320 0.001 0.000 0.267 152 K C -1.780 174.601 176.600 -0.364 0.000 1.010 152 K CA -0.296 55.842 56.287 -0.247 0.000 0.875 152 K CB 0.521 32.931 32.500 -0.150 0.000 1.106 152 K HN 0.346 nan 8.250 nan 0.000 0.450 153 W N 3.512 124.800 121.300 -0.021 0.000 2.332 153 W HA 0.427 5.087 4.660 0.000 0.000 0.306 153 W C 1.085 177.594 176.519 -0.015 0.000 1.149 153 W CA -0.544 56.791 57.345 -0.017 0.000 1.271 153 W CB 1.344 30.806 29.460 0.002 0.000 1.243 153 W HN 0.772 nan 8.180 nan 0.000 0.459 154 G N 1.607 110.496 108.800 0.149 0.000 2.651 154 G HA2 0.319 4.280 3.960 0.001 0.000 0.260 154 G HA3 0.319 4.280 3.960 0.001 0.000 0.260 154 G C -0.249 174.726 174.900 0.126 0.000 1.216 154 G CA -0.733 44.426 45.100 0.098 0.000 0.913 154 G HN 0.395 nan 8.290 nan 0.000 0.535 155 S N 1.058 116.805 115.700 0.080 0.000 2.580 155 S HA 0.373 4.843 4.470 0.001 0.000 0.274 155 S C -2.161 172.475 174.600 0.060 0.000 1.329 155 S CA -0.626 57.610 58.200 0.060 0.000 1.036 155 S CB 1.206 64.427 63.200 0.035 0.000 0.919 155 S HN 0.420 nan 8.310 nan 0.000 0.515 156 P HA 0.325 nan 4.420 nan 0.000 0.271 156 P C -1.157 176.150 177.300 0.011 0.000 1.216 156 P CA -0.387 62.725 63.100 0.021 0.000 0.776 156 P CB 0.445 32.129 31.700 -0.028 0.000 0.881 157 V N 1.835 121.765 119.914 0.027 0.000 2.555 157 V HA 0.338 4.458 4.120 0.001 0.000 0.302 157 V C 0.381 176.473 176.094 -0.002 0.000 1.038 157 V CA -0.617 61.703 62.300 0.034 0.000 0.887 157 V CB 1.821 33.705 31.823 0.101 0.000 0.991 157 V HN 0.601 nan 8.190 nan 0.000 0.434 158 S N 4.253 119.932 115.700 -0.035 0.000 2.505 158 S HA 0.365 4.836 4.470 0.001 0.000 0.276 158 S C 0.501 175.100 174.600 -0.002 0.000 1.274 158 S CA -0.487 57.658 58.200 -0.092 0.000 1.053 158 S CB 0.217 63.332 63.200 -0.141 0.000 0.919 158 S HN 0.605 nan 8.310 nan 0.000 0.490 159 L N 5.132 126.364 121.223 0.014 0.000 2.685 159 L HA 0.253 4.593 4.340 0.001 0.000 0.233 159 L C 2.148 179.173 176.870 0.259 0.000 1.173 159 L CA -0.075 54.924 54.840 0.264 0.000 0.961 159 L CB -0.298 41.951 42.059 0.317 0.000 1.217 159 L HN 0.729 nan 8.230 nan 0.000 0.478 160 K N 1.732 122.157 120.400 0.042 0.000 2.147 160 K HA -0.209 4.111 4.320 0.001 0.000 0.205 160 K C 1.876 178.598 176.600 0.204 0.000 1.049 160 K CA 1.695 58.051 56.287 0.116 0.000 0.936 160 K CB 0.167 32.635 32.500 -0.052 0.000 0.722 160 K HN 0.546 nan 8.250 nan 0.000 0.446 161 E N -0.518 119.663 120.200 -0.032 0.000 2.333 161 E HA -0.187 4.163 4.350 0.001 0.000 0.198 161 E C 0.804 177.319 176.600 -0.142 0.000 1.007 161 E CA 0.990 57.280 56.400 -0.183 0.000 0.845 161 E CB -0.257 29.179 29.700 -0.441 0.000 0.766 161 E HN 0.395 nan 8.360 nan 0.000 0.507 162 F N -0.115 120.082 119.950 0.412 0.000 2.693 162 F HA 0.240 4.767 4.527 0.001 0.000 0.303 162 F C 0.291 176.492 175.800 0.668 0.000 1.097 162 F CA -0.745 57.550 58.000 0.492 0.000 1.330 162 F CB 0.410 39.736 39.000 0.542 0.000 1.067 162 F HN -0.042 nan 8.300 nan 0.000 0.565 163 F N 5.231 125.493 119.950 0.521 0.000 2.371 163 F HA 0.430 4.957 4.527 0.001 0.000 0.363 163 F C -2.131 173.782 175.800 0.188 0.000 1.122 163 F CA -4.272 53.955 58.000 0.377 0.000 1.129 163 F CB 0.198 39.498 39.000 0.499 0.000 1.173 163 F HN -0.191 nan 8.300 nan 0.000 0.489 164 P HA 0.199 nan 4.420 nan 0.000 0.275 164 P C -0.039 177.042 177.300 -0.365 0.000 1.227 164 P CA -0.178 62.830 63.100 -0.153 0.000 0.781 164 P CB 1.409 33.050 31.700 -0.099 0.000 0.906 165 A N 2.859 125.573 122.820 -0.176 0.000 2.070 165 A HA -0.100 4.220 4.320 0.001 0.000 0.220 165 A C 0.840 178.373 177.584 -0.086 0.000 1.159 165 A CA 1.251 53.211 52.037 -0.128 0.000 0.656 165 A CB -0.400 18.596 19.000 -0.008 0.000 0.800 165 A HN 0.700 nan 8.150 nan 0.000 0.453 166 E N -1.599 118.529 120.200 -0.120 0.000 2.340 166 E HA 0.658 5.008 4.350 0.001 0.000 0.273 166 E C -1.428 175.069 176.600 -0.173 0.000 0.891 166 E CA -0.444 55.867 56.400 -0.149 0.000 0.757 166 E CB 1.886 31.511 29.700 -0.124 0.000 1.231 166 E HN 0.283 nan 8.360 nan 0.000 0.439 167 M N 2.081 121.570 119.600 -0.185 0.000 2.183 167 M HA 0.184 4.664 4.480 0.001 0.000 0.277 167 M C -1.117 175.090 176.300 -0.156 0.000 0.995 167 M CA -0.516 54.694 55.300 -0.149 0.000 0.969 167 M CB 1.919 34.437 32.600 -0.136 0.000 1.659 167 M HN 0.420 nan 8.290 nan 0.000 0.462 168 E N 1.751 121.878 120.200 -0.121 0.000 2.202 168 E HA -0.215 4.135 4.350 0.001 0.000 0.214 168 E C 0.670 177.192 176.600 -0.131 0.000 1.303 168 E CA 1.618 57.949 56.400 -0.114 0.000 0.714 168 E CB -1.501 28.127 29.700 -0.120 0.000 1.130 168 E HN 1.131 nan 8.360 nan 0.000 0.356 169 G N -1.271 107.440 108.800 -0.149 0.000 2.698 169 G HA2 -0.261 3.700 3.960 0.001 0.000 0.200 169 G HA3 -0.261 3.700 3.960 0.001 0.000 0.200 169 G C 0.445 175.197 174.900 -0.247 0.000 2.083 169 G CA -0.173 44.835 45.100 -0.154 0.000 1.629 169 G HN 0.474 nan 8.290 nan 0.000 0.565 170 M N 1.565 121.033 119.600 -0.220 0.000 2.184 170 M HA 0.497 4.978 4.480 0.001 0.000 0.296 170 M C -0.142 175.922 176.300 -0.392 0.000 1.165 170 M CA 0.214 55.373 55.300 -0.236 0.000 1.175 170 M CB 0.122 32.659 32.600 -0.105 0.000 1.392 170 M HN 0.385 nan 8.290 nan 0.000 0.457 171 H N 1.032 120.080 119.070 -0.036 0.000 2.459 171 H HA 0.326 4.882 4.556 0.001 0.000 0.332 171 H C -0.281 175.020 175.328 -0.045 0.000 1.094 171 H CA -0.365 55.651 56.048 -0.054 0.000 1.224 171 H CB 1.282 31.019 29.762 -0.042 0.000 1.449 171 H HN 0.775 nan 8.280 nan 0.000 0.484 172 T N -0.082 114.460 114.554 -0.019 0.000 2.904 172 T HA 0.087 4.437 4.350 0.001 0.000 0.290 172 T C 0.928 175.634 174.700 0.010 0.000 1.018 172 T CA -0.522 61.534 62.100 -0.073 0.000 1.075 172 T CB 1.796 70.332 68.868 -0.554 0.000 0.986 172 T HN 0.524 nan 8.240 nan 0.000 0.523 173 N N 0.674 119.439 118.700 0.109 0.000 2.820 173 N HA 0.177 4.917 4.740 0.001 0.000 0.236 173 N C -0.216 175.275 175.510 -0.031 0.000 1.023 173 N CA 0.239 53.327 53.050 0.064 0.000 1.062 173 N CB 0.785 39.278 38.487 0.011 0.000 1.582 173 N HN 0.792 nan 8.380 nan 0.000 0.485 174 Q N -1.174 118.537 119.800 -0.150 0.000 2.511 174 Q HA 0.416 4.756 4.340 0.001 0.000 0.289 174 Q C -1.643 174.175 176.000 -0.303 0.000 1.021 174 Q CA -0.925 54.354 55.803 -0.873 0.000 0.785 174 Q CB 2.852 31.080 28.738 -0.850 0.000 1.472 174 Q HN 0.280 nan 8.270 nan 0.000 0.411 175 F N -0.987 118.526 119.950 -0.728 0.000 2.645 175 F HA 0.853 5.380 4.527 0.000 0.000 0.310 175 F C -2.100 173.497 175.800 -0.340 0.000 1.102 175 F CA -0.983 56.796 58.000 -0.368 0.000 0.952 175 F CB 1.386 40.169 39.000 -0.363 0.000 1.326 175 F HN 0.404 nan 8.300 nan 0.000 0.456 176 L N 1.391 122.380 121.223 -0.388 0.000 2.409 176 L HA 0.741 5.082 4.340 0.001 0.000 0.255 176 L C 0.379 177.106 176.870 -0.238 0.000 1.027 176 L CA -1.278 53.262 54.840 -0.500 0.000 0.834 176 L CB 2.042 43.682 42.059 -0.698 0.000 1.426 176 L HN 1.048 nan 8.230 nan 0.000 0.411 177 G N -0.580 108.059 108.800 -0.269 0.000 2.699 177 G HA2 0.320 4.280 3.960 0.001 0.000 0.246 177 G HA3 0.320 4.280 3.960 0.001 0.000 0.246 177 G C 0.840 175.715 174.900 -0.042 0.000 1.219 177 G CA 0.242 45.261 45.100 -0.134 0.000 0.866 177 G HN 0.873 nan 8.290 nan 0.000 0.572 178 G N -0.940 107.900 108.800 0.067 0.000 2.985 178 G HA2 0.536 4.496 3.960 0.001 0.000 0.209 178 G HA3 0.536 4.496 3.960 0.001 0.000 0.209 178 G C 0.859 175.794 174.900 0.058 0.000 1.165 178 G CA 1.198 46.352 45.100 0.090 0.000 0.776 178 G HN 2.122 nan 8.290 nan 0.000 0.541 179 A N -2.381 120.463 122.820 0.040 0.000 3.682 179 A HA 0.456 4.777 4.320 0.001 0.000 0.628 179 A C 1.390 179.021 177.584 0.078 0.000 0.718 179 A CA 0.711 52.768 52.037 0.033 0.000 0.282 179 A CB -1.111 17.890 19.000 0.002 0.000 3.621 179 A HN 2.436 nan 8.150 nan 0.000 0.523 180 G N -2.136 106.710 108.800 0.077 0.000 2.512 180 G HA2 0.255 4.216 3.960 0.001 0.000 0.254 180 G HA3 0.255 4.216 3.960 0.001 0.000 0.254 180 G C 0.209 175.201 174.900 0.153 0.000 1.199 180 G CA 0.544 45.707 45.100 0.105 0.000 0.941 180 G HN 2.376 nan 8.290 nan 0.000 0.569 181 V N 1.047 121.062 119.914 0.168 0.000 2.409 181 V HA 0.766 4.887 4.120 0.001 0.000 0.291 181 V C 0.895 177.105 176.094 0.193 0.000 1.020 181 V CA 0.309 62.721 62.300 0.186 0.000 0.848 181 V CB 0.636 32.559 31.823 0.168 0.000 0.990 181 V HN 1.875 nan 8.190 nan 0.000 0.430 182 A N 5.628 128.569 122.820 0.200 0.000 2.806 182 A HA 1.019 5.339 4.320 0.001 0.000 0.254 182 A C -0.306 177.321 177.584 0.071 0.000 1.437 182 A CA -0.590 51.538 52.037 0.151 0.000 0.903 182 A CB 1.110 20.214 19.000 0.173 0.000 1.609 182 A HN 1.091 nan 8.150 nan 0.000 0.505 183 I N -3.526 117.048 120.570 0.006 0.000 3.191 183 I HA 0.730 4.901 4.170 0.001 0.000 0.313 183 I C -1.331 174.752 176.117 -0.056 0.000 1.193 183 I CA -1.128 60.171 61.300 -0.002 0.000 0.968 183 I CB 1.982 39.995 38.000 0.022 0.000 1.262 183 I HN 0.269 nan 8.210 nan 0.000 0.456 184 V N 3.106 122.998 119.914 -0.037 0.000 2.407 184 V HA 0.682 4.802 4.120 0.001 0.000 0.278 184 V C 0.820 176.885 176.094 -0.050 0.000 1.037 184 V CA -0.241 62.022 62.300 -0.062 0.000 0.900 184 V CB 1.076 32.873 31.823 -0.042 0.000 0.983 184 V HN 0.934 nan 8.190 nan 0.000 0.459 185 A N 3.660 126.439 122.820 -0.069 0.000 2.287 185 A HA 0.460 4.780 4.320 0.001 0.000 0.273 185 A C 1.558 179.106 177.584 -0.060 0.000 1.091 185 A CA 0.300 52.299 52.037 -0.063 0.000 0.817 185 A CB 0.393 19.341 19.000 -0.088 0.000 1.069 185 A HN 1.190 nan 8.150 nan 0.000 0.492 186 S N 0.509 116.176 115.700 -0.056 0.000 2.440 186 S HA -0.209 4.261 4.470 0.001 0.000 0.238 186 S C 1.050 175.616 174.600 -0.057 0.000 1.010 186 S CA 1.543 59.712 58.200 -0.052 0.000 0.972 186 S CB -0.615 62.552 63.200 -0.055 0.000 0.774 186 S HN 0.923 nan 8.310 nan 0.000 0.501 187 N N 1.073 119.732 118.700 -0.068 0.000 2.383 187 N HA 0.255 4.995 4.740 0.001 0.000 0.192 187 N C 1.244 176.711 175.510 -0.073 0.000 1.141 187 N CA 0.682 53.691 53.050 -0.069 0.000 0.851 187 N CB -0.367 38.074 38.487 -0.076 0.000 0.976 187 N HN 0.626 nan 8.380 nan 0.000 0.465 188 G N -0.369 108.385 108.800 -0.076 0.000 2.213 188 G HA2 -0.292 3.669 3.960 0.001 0.000 0.236 188 G HA3 -0.292 3.669 3.960 0.001 0.000 0.236 188 G C -0.281 174.548 174.900 -0.119 0.000 0.991 188 G CA -0.140 44.909 45.100 -0.085 0.000 0.629 188 G HN 0.469 nan 8.290 nan 0.000 0.517 189 N N 0.928 119.554 118.700 -0.123 0.000 2.412 189 N HA 0.348 5.088 4.740 0.001 0.000 0.254 189 N C 0.796 176.199 175.510 -0.178 0.000 1.232 189 N CA 0.208 53.167 53.050 -0.151 0.000 0.880 189 N CB 0.402 38.820 38.487 -0.116 0.000 1.076 189 N HN 0.420 nan 8.380 nan 0.000 0.458 190 L N 1.739 122.797 121.223 -0.276 0.000 2.360 190 L HA 0.254 4.594 4.340 0.001 0.000 0.276 190 L C -0.206 176.575 176.870 -0.147 0.000 1.121 190 L CA -0.487 54.182 54.840 -0.284 0.000 0.845 190 L CB 0.377 42.177 42.059 -0.432 0.000 1.143 190 L HN 0.096 nan 8.230 nan 0.000 0.452 191 V N 4.406 124.255 119.914 -0.109 0.000 2.407 191 V HA 0.331 4.451 4.120 0.001 0.000 0.291 191 V C -0.751 175.357 176.094 0.023 0.000 1.018 191 V CA -0.546 61.773 62.300 0.032 0.000 0.842 191 V CB 1.269 33.101 31.823 0.015 0.000 0.996 191 V HN 0.425 nan 8.190 nan 0.000 0.426 192 Y N 6.437 126.935 120.300 0.329 0.000 2.331 192 Y HA 0.464 5.014 4.550 0.000 0.000 0.338 192 Y C -2.083 174.005 175.900 0.313 0.000 0.976 192 Y CA -2.716 55.567 58.100 0.305 0.000 1.137 192 Y CB 2.294 40.956 38.460 0.336 0.000 1.172 192 Y HN 0.435 nan 8.280 nan 0.000 0.478 193 P HA 0.116 nan 4.420 nan 0.000 0.276 193 P C -0.833 176.685 177.300 0.364 0.000 1.235 193 P CA -0.034 63.295 63.100 0.382 0.000 0.772 193 P CB 1.402 33.297 31.700 0.324 0.000 0.871 194 V N 1.257 121.384 119.914 0.354 0.000 3.046 194 V HA 0.637 4.758 4.120 0.001 0.000 0.316 194 V C -0.439 175.793 176.094 0.231 0.000 1.104 194 V CA -1.141 61.323 62.300 0.273 0.000 1.006 194 V CB 1.806 33.805 31.823 0.294 0.000 1.058 194 V HN 0.568 nan 8.190 nan 0.000 0.440 195 Q N 1.360 121.266 119.800 0.176 0.000 2.293 195 Q HA 0.850 5.190 4.340 0.001 0.000 0.261 195 Q C -1.391 174.709 176.000 0.167 0.000 0.960 195 Q CA -0.809 55.092 55.803 0.163 0.000 0.882 195 Q CB 2.202 31.096 28.738 0.260 0.000 1.275 195 Q HN 0.612 nan 8.270 nan 0.000 0.445 196 V N 1.666 121.505 119.914 -0.124 0.000 2.735 196 V HA 0.543 4.663 4.120 0.001 0.000 0.310 196 V C -0.062 175.744 176.094 -0.480 0.000 1.061 196 V CA -0.717 61.414 62.300 -0.281 0.000 0.913 196 V CB 2.012 33.435 31.823 -0.667 0.000 1.005 196 V HN 1.012 nan 8.190 nan 0.000 0.428 197 T N 0.674 115.141 114.554 -0.145 0.000 2.925 197 T HA 0.669 5.019 4.350 0.001 0.000 0.285 197 T C -0.411 174.338 174.700 0.082 0.000 1.021 197 T CA -0.823 61.202 62.100 -0.124 0.000 1.042 197 T CB 1.786 70.501 68.868 -0.255 0.000 1.037 197 T HN 0.777 nan 8.240 nan 0.000 0.481 198 N N 0.416 119.220 118.700 0.173 0.000 2.525 198 N HA 0.370 5.110 4.740 0.001 0.000 0.288 198 N C 0.528 176.073 175.510 0.060 0.000 1.242 198 N CA -1.261 51.892 53.050 0.171 0.000 0.905 198 N CB 0.654 39.274 38.487 0.222 0.000 1.258 198 N HN 0.359 nan 8.380 nan 0.000 0.551 199 K N 0.074 120.510 120.400 0.060 0.000 2.519 199 K HA -0.026 4.295 4.320 0.001 0.000 0.196 199 K C 0.316 176.916 176.600 -0.001 0.000 1.041 199 K CA 0.747 57.053 56.287 0.031 0.000 0.954 199 K CB -0.187 32.342 32.500 0.048 0.000 0.774 199 K HN 0.609 nan 8.250 nan 0.000 0.480 200 K N 0.449 120.836 120.400 -0.023 0.000 2.404 200 K HA 0.073 4.393 4.320 0.001 0.000 0.194 200 K C -0.012 176.544 176.600 -0.074 0.000 1.023 200 K CA -0.045 56.204 56.287 -0.063 0.000 1.094 200 K CB 0.291 32.721 32.500 -0.118 0.000 0.841 200 K HN 0.020 nan 8.250 nan 0.000 0.523 201 K N 0.584 120.946 120.400 -0.063 0.000 3.281 201 K HA -0.212 4.108 4.320 0.001 0.000 0.295 201 K C -0.649 175.892 176.600 -0.098 0.000 1.233 201 K CA 0.686 56.918 56.287 -0.092 0.000 0.866 201 K CB -1.630 30.823 32.500 -0.078 0.000 1.265 201 K HN 0.343 nan 8.250 nan 0.000 0.482 202 Q N 0.653 120.403 119.800 -0.083 0.000 2.299 202 Q HA 0.426 4.766 4.340 0.001 0.000 0.246 202 Q C -0.012 176.057 176.000 0.115 0.000 0.935 202 Q CA -0.444 55.331 55.803 -0.046 0.000 0.887 202 Q CB 1.687 30.243 28.738 -0.303 0.000 1.223 202 Q HN 0.024 nan 8.270 nan 0.000 0.439 203 V N 3.436 123.447 119.914 0.162 0.000 2.630 203 V HA 0.661 4.781 4.120 0.001 0.000 0.305 203 V C -0.574 175.734 176.094 0.357 0.000 1.046 203 V CA -0.560 61.801 62.300 0.103 0.000 0.934 203 V CB 0.807 32.636 31.823 0.011 0.000 1.003 203 V HN 0.714 nan 8.190 nan 0.000 0.451 204 F N 0.347 120.391 119.950 0.156 0.000 2.713 204 F HA 0.799 5.327 4.527 0.001 0.000 0.311 204 F C -0.531 175.292 175.800 0.038 0.000 1.141 204 F CA -0.873 57.158 58.000 0.052 0.000 0.939 204 F CB 1.292 40.254 39.000 -0.064 0.000 1.325 204 F HN 0.263 nan 8.300 nan 0.000 0.453 205 S N 1.416 117.168 115.700 0.087 0.000 2.593 205 S HA 0.797 5.267 4.470 0.001 0.000 0.297 205 S C -0.860 173.781 174.600 0.067 0.000 1.112 205 S CA -0.913 57.347 58.200 0.100 0.000 1.043 205 S CB 1.687 65.020 63.200 0.222 0.000 1.054 205 S HN 0.517 nan 8.310 nan 0.000 0.516 206 K N 0.743 121.362 120.400 0.365 0.000 2.499 206 K HA 0.495 4.815 4.320 0.001 0.000 0.277 206 K C -1.438 175.579 176.600 0.696 0.000 1.025 206 K CA -0.743 55.893 56.287 0.583 0.000 0.900 206 K CB 1.133 33.978 32.500 0.576 0.000 1.494 206 K HN 0.368 nan 8.250 nan 0.000 0.442 207 I N 1.637 122.621 120.570 0.689 0.000 2.336 207 I HA 0.367 4.538 4.170 0.001 0.000 0.292 207 I C -0.515 175.897 176.117 0.492 0.000 0.991 207 I CA -0.523 61.078 61.300 0.502 0.000 1.227 207 I CB 0.500 38.707 38.000 0.345 0.000 1.366 207 I HN 0.474 nan 8.210 nan 0.000 0.466 208 F N 9.257 129.332 119.950 0.208 0.000 2.460 208 F HA 0.539 5.066 4.527 0.001 0.000 0.341 208 F C -0.995 175.036 175.800 0.384 0.000 1.130 208 F CA -0.637 57.352 58.000 -0.020 0.000 0.962 208 F CB 0.945 39.821 39.000 -0.207 0.000 1.171 208 F HN 0.450 nan 8.300 nan 0.000 0.436 209 Y N 2.506 122.741 120.300 -0.108 0.000 2.581 209 Y HA 0.746 5.296 4.550 0.001 0.000 0.345 209 Y C -1.434 174.106 175.900 -0.599 0.000 1.036 209 Y CA -1.493 56.503 58.100 -0.174 0.000 1.042 209 Y CB 1.506 39.886 38.460 -0.133 0.000 1.289 209 Y HN 0.376 nan 8.280 nan 0.000 0.471 210 S N 0.510 115.716 115.700 -0.824 0.000 2.538 210 S HA 0.417 4.887 4.470 0.001 0.000 0.288 210 S C -0.650 173.599 174.600 -0.584 0.000 1.108 210 S CA -0.627 56.868 58.200 -1.174 0.000 0.971 210 S CB 1.423 63.394 63.200 -2.047 0.000 1.041 210 S HN 0.859 nan 8.310 nan 0.000 0.483 211 E N 1.723 121.658 120.200 -0.442 0.000 2.498 211 E HA 0.109 4.459 4.350 0.001 0.000 0.203 211 E C -0.665 175.785 176.600 -0.250 0.000 1.013 211 E CA 0.069 56.327 56.400 -0.237 0.000 0.927 211 E CB 0.322 29.949 29.700 -0.123 0.000 1.012 211 E HN 0.724 nan 8.360 nan 0.000 0.482 212 D N 0.061 120.255 120.400 -0.344 0.000 2.945 212 D HA 0.030 4.671 4.640 0.001 0.000 0.366 212 D C -0.332 175.827 176.300 -0.234 0.000 1.352 212 D CA -0.400 53.454 54.000 -0.244 0.000 0.810 212 D CB 0.019 40.696 40.800 -0.204 0.000 1.170 212 D HN -0.179 nan 8.370 nan 0.000 0.461 213 E N -0.180 119.862 120.200 -0.263 0.000 2.791 213 E HA -0.201 4.150 4.350 0.001 0.000 0.271 213 E C 1.125 177.622 176.600 -0.173 0.000 1.044 213 E CA 1.080 57.365 56.400 -0.192 0.000 0.814 213 E CB -2.051 27.627 29.700 -0.037 0.000 1.400 213 E HN 0.946 nan 8.360 nan 0.000 0.423 214 G N -0.424 108.144 108.800 -0.388 0.000 2.157 214 G HA2 -0.349 3.611 3.960 0.001 0.000 0.239 214 G HA3 -0.349 3.611 3.960 0.001 0.000 0.239 214 G C 0.925 175.866 174.900 0.067 0.000 0.982 214 G CA 0.570 45.571 45.100 -0.165 0.000 0.650 214 G HN 0.204 nan 8.290 nan 0.000 0.527 215 K N 0.262 120.598 120.400 -0.107 0.000 2.137 215 K HA 0.105 4.425 4.320 0.001 0.000 0.202 215 K C 1.512 178.089 176.600 -0.038 0.000 1.052 215 K CA 1.760 58.063 56.287 0.028 0.000 0.961 215 K CB -0.192 32.317 32.500 0.016 0.000 0.741 215 K HN 0.845 nan 8.250 nan 0.000 0.452 216 T N -2.406 111.905 114.554 -0.405 0.000 2.916 216 T HA 0.591 4.941 4.350 0.001 0.000 0.292 216 T C -1.148 172.816 174.700 -1.227 0.000 1.055 216 T CA -0.928 60.702 62.100 -0.783 0.000 1.009 216 T CB 1.556 70.183 68.868 -0.402 0.000 1.118 216 T HN 0.074 nan 8.240 nan 0.000 0.497 217 W N 0.375 120.816 121.300 -1.432 0.000 2.950 217 W HA 0.724 5.384 4.660 0.001 0.000 0.340 217 W C -0.345 175.740 176.519 -0.724 0.000 1.139 217 W CA -0.796 55.900 57.345 -1.081 0.000 1.188 217 W CB 2.199 30.957 29.460 -1.171 0.000 1.426 217 W HN 0.690 nan 8.180 nan 0.000 0.531 218 K N 1.261 121.298 120.400 -0.604 0.000 2.482 218 K HA 0.651 4.972 4.320 0.001 0.000 0.257 218 K C -1.596 174.853 176.600 -0.252 0.000 0.969 218 K CA -1.046 55.020 56.287 -0.368 0.000 0.842 218 K CB 2.288 34.375 32.500 -0.689 0.000 1.359 218 K HN 0.176 nan 8.250 nan 0.000 0.441 219 F N 0.483 120.523 119.950 0.151 0.000 2.443 219 F HA 0.371 4.898 4.527 0.000 0.000 0.335 219 F C 1.117 177.120 175.800 0.339 0.000 1.104 219 F CA -0.354 57.835 58.000 0.315 0.000 1.013 219 F CB 1.695 40.870 39.000 0.293 0.000 1.136 219 F HN 0.607 nan 8.300 nan 0.000 0.470 220 G N 2.146 111.307 108.800 0.602 0.000 2.594 220 G HA2 0.156 4.116 3.960 0.001 0.000 0.243 220 G HA3 0.156 4.116 3.960 0.001 0.000 0.243 220 G C 0.440 175.580 174.900 0.399 0.000 1.229 220 G CA -0.497 44.888 45.100 0.475 0.000 0.843 220 G HN 0.784 nan 8.290 nan 0.000 0.578 221 K N 0.715 121.284 120.400 0.282 0.000 2.361 221 K HA 0.097 4.417 4.320 0.001 0.000 0.196 221 K C 1.637 178.311 176.600 0.124 0.000 1.039 221 K CA 0.409 56.805 56.287 0.182 0.000 1.001 221 K CB 0.325 32.898 32.500 0.121 0.000 0.795 221 K HN 0.479 nan 8.250 nan 0.000 0.495 222 G N 1.783 110.703 108.800 0.200 0.000 2.588 222 G HA2 0.376 4.336 3.960 0.001 0.000 0.281 222 G HA3 0.376 4.336 3.960 0.001 0.000 0.281 222 G C -0.427 174.282 174.900 -0.319 0.000 1.236 222 G CA -0.532 44.599 45.100 0.053 0.000 0.969 222 G HN 0.272 nan 8.290 nan 0.000 0.504 223 R N -2.176 117.737 120.500 -0.979 0.000 2.728 223 R HA 0.580 4.920 4.340 0.001 0.000 0.274 223 R C -0.151 175.108 176.300 -1.736 0.000 1.030 223 R CA -0.453 54.795 56.100 -1.420 0.000 0.876 223 R CB 0.568 30.452 30.300 -0.693 0.000 1.259 223 R HN 0.746 nan 8.270 nan 0.000 0.468 224 S N 0.708 115.416 115.700 -1.653 0.000 2.617 224 S HA 0.543 5.014 4.470 0.001 0.000 0.259 224 S C 0.720 174.953 174.600 -0.612 0.000 1.301 224 S CA -0.330 57.195 58.200 -1.125 0.000 0.984 224 S CB 0.682 63.494 63.200 -0.647 0.000 0.954 224 S HN 0.858 nan 8.310 nan 0.000 0.572 225 A N 0.297 122.955 122.820 -0.269 0.000 2.429 225 A HA 0.467 4.787 4.320 0.001 0.000 0.242 225 A C 0.031 177.518 177.584 -0.162 0.000 1.088 225 A CA -0.506 51.417 52.037 -0.190 0.000 0.784 225 A CB -0.615 18.422 19.000 0.062 0.000 1.038 225 A HN 0.685 nan 8.150 nan 0.000 0.501 226 F N -0.080 119.894 119.950 0.041 0.000 2.459 226 F HA 0.415 4.942 4.527 0.000 0.000 0.346 226 F C 1.703 177.566 175.800 0.106 0.000 1.128 226 F CA 1.416 59.471 58.000 0.092 0.000 1.268 226 F CB 0.683 39.715 39.000 0.055 0.000 1.161 226 F HN 0.904 nan 8.300 nan 0.000 0.583 227 G N 0.538 109.531 108.800 0.322 0.000 2.195 227 G HA2 -0.273 3.687 3.960 0.001 0.000 0.246 227 G HA3 -0.273 3.687 3.960 0.001 0.000 0.246 227 G C -0.364 174.653 174.900 0.195 0.000 0.984 227 G CA -0.310 44.922 45.100 0.219 0.000 0.633 227 G HN 0.732 nan 8.290 nan 0.000 0.525 228 C N 2.982 122.403 119.300 0.202 0.000 2.281 228 C HA 0.746 5.206 4.460 0.001 0.000 0.336 228 C C 1.180 176.284 174.990 0.190 0.000 1.217 228 C CA 0.004 59.141 59.018 0.197 0.000 1.730 228 C CB -0.225 27.647 27.740 0.219 0.000 2.338 228 C HN 0.838 nan 8.230 nan 0.000 0.521 229 S N 1.428 117.241 115.700 0.189 0.000 2.786 229 S HA 0.532 5.002 4.470 0.001 0.000 0.307 229 S C -0.228 174.487 174.600 0.192 0.000 1.121 229 S CA -0.618 57.704 58.200 0.202 0.000 0.975 229 S CB 0.238 63.572 63.200 0.223 0.000 1.220 229 S HN 0.740 nan 8.310 nan 0.000 0.550 230 E N 1.523 121.838 120.200 0.191 0.000 2.024 230 E HA -0.137 4.213 4.350 0.001 0.000 0.171 230 E C -2.213 174.479 176.600 0.153 0.000 1.417 230 E CA 0.270 56.755 56.400 0.142 0.000 0.650 230 E CB -1.388 28.363 29.700 0.086 0.000 1.044 230 E HN 0.473 nan 8.360 nan 0.000 0.308 231 P HA 0.109 nan 4.420 nan 0.000 0.275 231 P C -0.421 177.014 177.300 0.226 0.000 1.227 231 P CA -0.040 63.200 63.100 0.234 0.000 0.781 231 P CB 1.580 33.460 31.700 0.300 0.000 0.906 232 V N 2.313 122.368 119.914 0.235 0.000 2.680 232 V HA 0.800 4.920 4.120 0.001 0.000 0.309 232 V C -0.857 175.450 176.094 0.354 0.000 1.052 232 V CA -0.733 61.730 62.300 0.272 0.000 0.908 232 V CB 1.646 33.624 31.823 0.260 0.000 1.001 232 V HN 0.853 nan 8.190 nan 0.000 0.431 233 A N 5.927 128.950 122.820 0.338 0.000 2.498 233 A HA 0.985 5.305 4.320 0.001 0.000 0.298 233 A C -1.410 176.303 177.584 0.214 0.000 1.075 233 A CA -0.575 51.650 52.037 0.314 0.000 0.714 233 A CB 1.843 20.970 19.000 0.211 0.000 1.299 233 A HN 1.670 nan 8.150 nan 0.000 0.407 234 L N -1.729 119.576 121.223 0.138 0.000 2.403 234 L HA 0.878 5.218 4.340 0.001 0.000 0.253 234 L C -0.519 176.391 176.870 0.067 0.000 1.045 234 L CA -0.646 54.212 54.840 0.029 0.000 0.845 234 L CB 1.625 43.585 42.059 -0.166 0.000 1.447 234 L HN 0.734 nan 8.230 nan 0.000 0.411 235 E N 0.839 121.081 120.200 0.070 0.000 2.166 235 E HA 0.344 4.694 4.350 0.001 0.000 0.275 235 E C -1.997 174.705 176.600 0.169 0.000 0.941 235 E CA -0.690 55.759 56.400 0.082 0.000 0.784 235 E CB 1.344 31.058 29.700 0.023 0.000 1.115 235 E HN 0.685 nan 8.360 nan 0.000 0.399 236 W N 5.836 127.116 121.300 -0.032 0.000 2.756 236 W HA 0.203 4.864 4.660 0.001 0.000 0.333 236 W C -0.971 175.536 176.519 -0.019 0.000 1.025 236 W CA -0.494 56.837 57.345 -0.022 0.000 1.246 236 W CB 0.914 30.367 29.460 -0.011 0.000 1.358 236 W HN 0.799 nan 8.180 nan 0.000 0.444 237 E N 3.422 123.390 120.200 -0.387 0.000 2.297 237 E HA -0.229 4.121 4.350 0.001 0.000 0.228 237 E C 1.014 177.551 176.600 -0.105 0.000 1.213 237 E CA 1.151 57.375 56.400 -0.294 0.000 0.712 237 E CB -1.302 28.215 29.700 -0.306 0.000 1.202 237 E HN 1.017 nan 8.360 nan 0.000 0.376 238 G N -0.152 108.598 108.800 -0.085 0.000 2.205 238 G HA2 -0.359 3.602 3.960 0.001 0.000 0.261 238 G HA3 -0.359 3.602 3.960 0.001 0.000 0.261 238 G C 0.162 175.045 174.900 -0.028 0.000 0.980 238 G CA 0.948 46.016 45.100 -0.054 0.000 0.632 238 G HN 0.309 nan 8.290 nan 0.000 0.533 239 K N -0.102 120.305 120.400 0.011 0.000 2.318 239 K HA 0.722 5.042 4.320 0.001 0.000 0.249 239 K C 0.104 176.725 176.600 0.034 0.000 0.942 239 K CA -1.015 55.281 56.287 0.015 0.000 0.808 239 K CB 2.047 34.573 32.500 0.044 0.000 1.189 239 K HN 0.120 nan 8.250 nan 0.000 0.428 240 L N 3.063 124.273 121.223 -0.021 0.000 2.349 240 L HA 0.377 4.718 4.340 0.001 0.000 0.275 240 L C -0.070 176.812 176.870 0.020 0.000 1.115 240 L CA -0.430 54.404 54.840 -0.010 0.000 0.820 240 L CB 0.264 42.272 42.059 -0.085 0.000 1.135 240 L HN 0.408 nan 8.230 nan 0.000 0.445 241 I N 4.366 125.000 120.570 0.105 0.000 2.355 241 I HA 0.329 4.500 4.170 0.001 0.000 0.288 241 I C -0.560 175.711 176.117 0.258 0.000 0.999 241 I CA -0.422 60.984 61.300 0.177 0.000 1.163 241 I CB 1.733 39.886 38.000 0.254 0.000 1.316 241 I HN 0.436 nan 8.210 nan 0.000 0.454 242 I N 6.382 127.066 120.570 0.190 0.000 2.354 242 I HA 0.252 4.422 4.170 0.001 0.000 0.286 242 I C 0.111 176.378 176.117 0.250 0.000 1.007 242 I CA -0.187 61.250 61.300 0.229 0.000 1.167 242 I CB 0.883 38.969 38.000 0.143 0.000 1.320 242 I HN 0.468 nan 8.210 nan 0.000 0.458 243 N N 5.156 123.948 118.700 0.154 0.000 2.437 243 N HA 0.346 5.087 4.740 0.001 0.000 0.259 243 N C -0.668 174.904 175.510 0.104 0.000 0.983 243 N CA -0.139 52.885 53.050 -0.044 0.000 0.937 243 N CB 1.307 39.478 38.487 -0.527 0.000 1.122 243 N HN 0.688 nan 8.380 nan 0.000 0.499 244 T N 0.292 114.937 114.554 0.150 0.000 2.912 244 T HA 0.458 4.808 4.350 0.001 0.000 0.288 244 T C 0.135 174.927 174.700 0.153 0.000 1.030 244 T CA -0.981 61.237 62.100 0.197 0.000 1.020 244 T CB 1.902 70.944 68.868 0.291 0.000 1.056 244 T HN 0.477 nan 8.240 nan 0.000 0.480 245 R N 1.380 121.975 120.500 0.157 0.000 2.308 245 R HA 0.594 4.935 4.340 0.001 0.000 0.305 245 R C -1.469 174.912 176.300 0.135 0.000 1.053 245 R CA -0.586 55.599 56.100 0.141 0.000 0.957 245 R CB 0.602 30.979 30.300 0.128 0.000 1.022 245 R HN 0.581 nan 8.270 nan 0.000 0.461 246 V N 4.544 124.522 119.914 0.106 0.000 2.419 246 V HA 0.151 4.272 4.120 0.001 0.000 0.287 246 V C -0.815 175.309 176.094 0.050 0.000 1.017 246 V CA -1.063 61.295 62.300 0.098 0.000 0.844 246 V CB 1.474 33.356 31.823 0.098 0.000 1.011 246 V HN 0.819 nan 8.190 nan 0.000 0.429 247 D N 3.299 123.715 120.400 0.027 0.000 2.424 247 D HA 0.246 4.886 4.640 0.001 0.000 0.244 247 D C 0.550 176.809 176.300 -0.068 0.000 1.134 247 D CA 0.665 54.566 54.000 -0.166 0.000 0.881 247 D CB 0.372 41.033 40.800 -0.231 0.000 1.191 247 D HN 0.675 nan 8.370 nan 0.000 0.445 248 Y N -0.761 119.536 120.300 -0.005 0.000 4.798 248 Y HA -0.353 4.197 4.550 0.000 0.000 0.237 248 Y C 0.846 176.746 175.900 0.001 0.000 1.017 248 Y CA 0.808 58.900 58.100 -0.015 0.000 2.010 248 Y CB -1.218 37.231 38.460 -0.017 0.000 1.582 248 Y HN 0.336 nan 8.280 nan 0.000 0.621 249 R N -0.558 119.994 120.500 0.087 0.000 2.795 249 R HA 0.592 4.933 4.340 0.001 0.000 0.268 249 R C -0.434 175.877 176.300 0.018 0.000 1.041 249 R CA -1.419 54.716 56.100 0.058 0.000 0.927 249 R CB 1.363 31.704 30.300 0.068 0.000 1.235 249 R HN -0.001 nan 8.270 nan 0.000 0.463 250 R N 1.279 121.771 120.500 -0.013 0.000 2.594 250 R HA 0.171 4.511 4.340 0.001 0.000 0.272 250 R C 0.060 176.335 176.300 -0.042 0.000 1.074 250 R CA -0.175 55.894 56.100 -0.051 0.000 1.105 250 R CB 0.479 30.712 30.300 -0.111 0.000 1.008 250 R HN 0.231 nan 8.270 nan 0.000 0.472 251 R N 2.103 122.577 120.500 -0.043 0.000 2.537 251 R HA 0.106 4.446 4.340 0.001 0.000 0.280 251 R C -0.190 176.072 176.300 -0.064 0.000 1.058 251 R CA 0.087 56.177 56.100 -0.017 0.000 1.057 251 R CB 0.328 30.629 30.300 0.003 0.000 0.973 251 R HN 0.332 nan 8.270 nan 0.000 0.438 252 L N 3.062 124.271 121.223 -0.024 0.000 2.322 252 L HA 0.514 4.855 4.340 0.001 0.000 0.279 252 L C -0.434 176.361 176.870 -0.124 0.000 1.036 252 L CA -0.984 53.785 54.840 -0.117 0.000 0.807 252 L CB 1.823 43.848 42.059 -0.057 0.000 1.226 252 L HN 0.294 nan 8.230 nan 0.000 0.433 253 V N 2.474 122.205 119.914 -0.304 0.000 2.656 253 V HA 0.503 4.623 4.120 0.001 0.000 0.307 253 V C -1.136 174.774 176.094 -0.307 0.000 1.051 253 V CA -0.709 61.486 62.300 -0.176 0.000 0.893 253 V CB 1.930 33.665 31.823 -0.147 0.000 0.999 253 V HN 0.454 nan 8.190 nan 0.000 0.426 254 Y N 1.221 121.572 120.300 0.086 0.000 2.545 254 Y HA 0.614 5.164 4.550 0.001 0.000 0.348 254 Y C 0.137 176.029 175.900 -0.013 0.000 1.002 254 Y CA -0.837 57.318 58.100 0.091 0.000 1.039 254 Y CB 2.162 40.786 38.460 0.275 0.000 1.271 254 Y HN 0.572 nan 8.280 nan 0.000 0.467 255 E N 0.708 120.984 120.200 0.125 0.000 2.227 255 E HA 0.642 4.992 4.350 0.001 0.000 0.268 255 E C -1.266 175.286 176.600 -0.081 0.000 0.907 255 E CA -0.938 55.471 56.400 0.014 0.000 0.786 255 E CB 2.299 32.021 29.700 0.037 0.000 1.191 255 E HN 0.377 nan 8.360 nan 0.000 0.411 256 S N 0.661 116.263 115.700 -0.164 0.000 2.572 256 S HA 0.256 4.726 4.470 0.001 0.000 0.274 256 S C -0.401 174.122 174.600 -0.128 0.000 1.150 256 S CA -0.577 57.498 58.200 -0.208 0.000 0.944 256 S CB 1.400 64.321 63.200 -0.464 0.000 1.071 256 S HN 0.358 nan 8.310 nan 0.000 0.479 257 S N 2.384 118.036 115.700 -0.080 0.000 2.540 257 S HA 0.141 4.612 4.470 0.001 0.000 0.218 257 S C -0.198 174.358 174.600 -0.075 0.000 0.977 257 S CA -0.054 58.109 58.200 -0.062 0.000 0.918 257 S CB -0.057 63.123 63.200 -0.032 0.000 0.806 257 S HN 0.847 nan 8.310 nan 0.000 0.496 258 D N -0.054 120.293 120.400 -0.089 0.000 2.908 258 D HA 0.213 4.854 4.640 0.001 0.000 0.361 258 D C 0.263 176.485 176.300 -0.129 0.000 1.416 258 D CA -0.449 53.499 54.000 -0.086 0.000 0.796 258 D CB -0.383 40.399 40.800 -0.030 0.000 1.185 258 D HN -0.128 nan 8.370 nan 0.000 0.451 259 M N 0.871 120.346 119.600 -0.209 0.000 2.302 259 M HA -0.158 4.322 4.480 0.001 0.000 0.200 259 M C 1.185 177.419 176.300 -0.110 0.000 0.366 259 M CA 1.193 56.309 55.300 -0.307 0.000 0.440 259 M CB -2.054 30.099 32.600 -0.745 0.000 1.475 259 M HN 0.872 nan 8.290 nan 0.000 0.905 260 G N -0.929 107.820 108.800 -0.084 0.000 2.176 260 G HA2 -0.326 3.634 3.960 0.001 0.000 0.253 260 G HA3 -0.326 3.634 3.960 0.001 0.000 0.253 260 G C 0.734 175.843 174.900 0.348 0.000 0.979 260 G CA 0.533 45.706 45.100 0.122 0.000 0.641 260 G HN 0.504 nan 8.290 nan 0.000 0.530 261 N N 0.578 119.391 118.700 0.190 0.000 2.166 261 N HA 0.016 4.756 4.740 0.001 0.000 0.186 261 N C 1.303 176.955 175.510 0.237 0.000 1.019 261 N CA 1.898 55.068 53.050 0.200 0.000 0.856 261 N CB -0.080 38.479 38.487 0.120 0.000 0.993 261 N HN 0.921 nan 8.380 nan 0.000 0.426 262 T N -3.163 111.526 114.554 0.226 0.000 2.909 262 T HA 0.554 4.904 4.350 0.001 0.000 0.299 262 T C -1.395 173.471 174.700 0.278 0.000 1.073 262 T CA -0.817 61.436 62.100 0.255 0.000 0.999 262 T CB 1.505 70.451 68.868 0.131 0.000 1.098 262 T HN 0.003 nan 8.240 nan 0.000 0.477 263 W N 1.796 123.114 121.300 0.031 0.000 2.781 263 W HA 0.726 5.386 4.660 0.000 0.000 0.333 263 W C -1.288 175.309 176.519 0.131 0.000 1.047 263 W CA -1.069 56.312 57.345 0.060 0.000 1.236 263 W CB 1.945 31.362 29.460 -0.073 0.000 1.394 263 W HN 0.690 nan 8.180 nan 0.000 0.466 264 L N 2.885 124.322 121.223 0.357 0.000 2.381 264 L HA 0.458 4.798 4.340 0.001 0.000 0.274 264 L C 0.109 177.144 176.870 0.276 0.000 0.988 264 L CA -0.921 54.081 54.840 0.270 0.000 0.824 264 L CB 1.575 43.714 42.059 0.134 0.000 1.263 264 L HN 0.472 nan 8.230 nan 0.000 0.410 265 E N 3.273 123.584 120.200 0.186 0.000 2.384 265 E HA 0.292 4.643 4.350 0.001 0.000 0.266 265 E C -0.277 176.247 176.600 -0.128 0.000 1.012 265 E CA 0.034 56.363 56.400 -0.119 0.000 0.901 265 E CB 1.057 30.630 29.700 -0.212 0.000 0.967 265 E HN 0.783 nan 8.360 nan 0.000 0.435 266 A N 5.089 127.800 122.820 -0.181 0.000 3.118 266 A HA 0.109 4.429 4.320 0.001 0.000 0.256 266 A C 1.184 178.674 177.584 -0.156 0.000 1.667 266 A CA -0.119 51.841 52.037 -0.128 0.000 1.338 266 A CB -0.814 18.127 19.000 -0.099 0.000 1.127 266 A HN 0.591 nan 8.150 nan 0.000 0.634 267 V N -1.673 118.117 119.914 -0.207 0.000 2.759 267 V HA -0.056 4.064 4.120 0.001 0.000 0.256 267 V C 1.696 177.717 176.094 -0.121 0.000 1.080 267 V CA 2.106 64.230 62.300 -0.293 0.000 1.101 267 V CB -0.890 30.427 31.823 -0.844 0.000 0.698 267 V HN 0.523 nan 8.190 nan 0.000 0.477 268 G N -0.091 108.661 108.800 -0.081 0.000 2.985 268 G HA2 0.242 4.202 3.960 0.001 0.000 0.209 268 G HA3 0.242 4.202 3.960 0.001 0.000 0.209 268 G C 1.082 175.970 174.900 -0.020 0.000 1.165 268 G CA 1.066 46.171 45.100 0.008 0.000 0.776 268 G HN 0.713 nan 8.290 nan 0.000 0.541 269 T N -2.774 111.761 114.554 -0.033 0.000 3.511 269 T HA 0.188 4.538 4.350 0.001 0.000 0.220 269 T C 1.717 176.347 174.700 -0.117 0.000 0.962 269 T CA -0.054 61.994 62.100 -0.086 0.000 1.099 269 T CB 0.017 68.808 68.868 -0.129 0.000 1.197 269 T HN -0.007 nan 8.240 nan 0.000 0.343 270 L N 1.016 122.133 121.223 -0.176 0.000 2.781 270 L HA 0.465 4.806 4.340 0.001 0.000 0.245 270 L C 1.055 177.717 176.870 -0.347 0.000 1.118 270 L CA -0.236 54.415 54.840 -0.316 0.000 0.918 270 L CB 0.624 42.546 42.059 -0.228 0.000 1.246 270 L HN 0.254 nan 8.230 nan 0.000 0.526 271 S N 0.659 116.209 115.700 -0.251 0.000 2.549 271 S HA 0.244 4.715 4.470 0.001 0.000 0.279 271 S C 0.879 175.274 174.600 -0.342 0.000 1.321 271 S CA -0.063 57.971 58.200 -0.277 0.000 1.054 271 S CB 0.157 63.189 63.200 -0.280 0.000 0.899 271 S HN 0.428 nan 8.310 nan 0.000 0.497 272 R N 1.406 121.688 120.500 -0.363 0.000 3.954 272 R HA -0.164 4.176 4.340 0.001 0.000 0.422 272 R C 0.938 176.965 176.300 -0.455 0.000 1.091 272 R CA 0.891 56.724 56.100 -0.444 0.000 1.168 272 R CB -2.695 27.177 30.300 -0.713 0.000 1.752 272 R HN 0.467 nan 8.270 nan 0.000 0.547 273 V N -0.223 119.384 119.914 -0.511 0.000 2.270 273 V HA -0.145 3.976 4.120 0.001 0.000 0.245 273 V C 1.250 176.966 176.094 -0.631 0.000 1.043 273 V CA 1.692 63.579 62.300 -0.687 0.000 1.014 273 V CB -0.167 30.960 31.823 -1.160 0.000 0.645 273 V HN 0.260 nan 8.190 nan 0.000 0.447 274 W N 0.815 121.871 121.300 -0.407 0.000 2.332 274 W HA 0.599 5.259 4.660 0.000 0.000 0.306 274 W C 0.458 176.799 176.519 -0.297 0.000 1.149 274 W CA -0.609 56.499 57.345 -0.395 0.000 1.271 274 W CB 0.493 29.662 29.460 -0.485 0.000 1.243 274 W HN 0.162 nan 8.180 nan 0.000 0.459 275 G N 4.334 113.131 108.800 -0.006 0.000 2.377 275 G HA2 0.336 4.297 3.960 0.001 0.000 0.299 275 G HA3 0.336 4.297 3.960 0.001 0.000 0.299 275 G C -1.519 173.364 174.900 -0.029 0.000 1.150 275 G CA -1.092 43.996 45.100 -0.020 0.000 0.847 275 G HN 0.189 nan 8.290 nan 0.000 0.501 276 P HA 0.042 nan 4.420 nan 0.000 0.241 276 P C 0.210 177.599 177.300 0.149 0.000 1.191 276 P CA 0.418 63.576 63.100 0.097 0.000 0.771 276 P CB 0.374 32.114 31.700 0.067 0.000 0.929 277 S N -3.247 112.523 115.700 0.116 0.000 2.611 277 S HA 0.400 4.870 4.470 0.001 0.000 0.268 277 S C -2.738 171.935 174.600 0.121 0.000 1.156 277 S CA -1.240 57.043 58.200 0.139 0.000 0.817 277 S CB 1.334 64.588 63.200 0.089 0.000 1.122 277 S HN -0.351 nan 8.310 nan 0.000 0.466 278 P HA -0.091 nan 4.420 nan 0.000 0.217 278 P C 0.583 177.895 177.300 0.019 0.000 1.151 278 P CA 1.505 64.631 63.100 0.044 0.000 0.849 278 P CB 0.024 31.682 31.700 -0.069 0.000 0.787 279 K N -1.581 118.830 120.400 0.018 0.000 2.397 279 K HA 0.226 4.547 4.320 0.001 0.000 0.202 279 K C 0.238 176.852 176.600 0.024 0.000 1.022 279 K CA 0.080 56.373 56.287 0.012 0.000 1.141 279 K CB 0.034 32.537 32.500 0.005 0.000 0.857 279 K HN -0.102 nan 8.250 nan 0.000 0.514 280 S N 2.814 118.535 115.700 0.034 0.000 3.559 280 S HA -0.135 4.335 4.470 0.001 0.000 0.369 280 S C 0.036 174.669 174.600 0.055 0.000 0.987 280 S CA 1.182 59.403 58.200 0.035 0.000 1.187 280 S CB -1.300 61.909 63.200 0.014 0.000 0.914 280 S HN 0.685 nan 8.310 nan 0.000 0.480 281 N N -0.569 118.175 118.700 0.074 0.000 2.536 281 N HA 0.186 4.927 4.740 0.001 0.000 0.286 281 N C -0.496 175.149 175.510 0.224 0.000 1.577 281 N CA -0.517 52.616 53.050 0.139 0.000 0.883 281 N CB 0.468 39.002 38.487 0.078 0.000 1.390 281 N HN 0.280 nan 8.380 nan 0.000 0.491 282 Q N -0.218 119.636 119.800 0.091 0.000 2.544 282 Q HA 0.578 4.918 4.340 0.001 0.000 0.291 282 Q C -2.930 172.769 176.000 -0.501 0.000 1.068 282 Q CA -1.612 54.133 55.803 -0.097 0.000 0.785 282 Q CB 1.665 30.354 28.738 -0.082 0.000 1.481 282 Q HN 0.037 nan 8.270 nan 0.000 0.430 283 P HA 0.044 nan 4.420 nan 0.000 0.268 283 P C -0.048 177.060 177.300 -0.321 0.000 1.208 283 P CA 0.390 63.008 63.100 -0.802 0.000 0.777 283 P CB 0.427 31.435 31.700 -1.152 0.000 0.875 284 G N 0.555 109.260 108.800 -0.158 0.000 2.531 284 G HA2 0.488 4.449 3.960 0.001 0.000 0.253 284 G HA3 0.488 4.449 3.960 0.001 0.000 0.253 284 G C -0.569 174.380 174.900 0.082 0.000 1.439 284 G CA -0.195 44.943 45.100 0.063 0.000 1.056 284 G HN 0.564 nan 8.290 nan 0.000 0.555 285 S N -2.216 113.530 115.700 0.078 0.000 2.596 285 S HA 0.374 4.844 4.470 0.001 0.000 0.270 285 S C -0.967 173.486 174.600 -0.245 0.000 1.155 285 S CA -0.548 57.570 58.200 -0.136 0.000 0.827 285 S CB 1.741 64.684 63.200 -0.428 0.000 1.130 285 S HN 0.736 nan 8.310 nan 0.000 0.467 286 Q N 1.682 121.113 119.800 -0.616 0.000 2.373 286 Q HA 0.454 4.795 4.340 0.001 0.000 0.255 286 Q C -1.114 174.679 176.000 -0.345 0.000 0.980 286 Q CA 0.444 55.944 55.803 -0.505 0.000 0.882 286 Q CB 0.922 29.172 28.738 -0.813 0.000 1.249 286 Q HN 0.615 nan 8.270 nan 0.000 0.438 287 S N 1.814 117.410 115.700 -0.173 0.000 2.541 287 S HA 0.313 4.784 4.470 0.001 0.000 0.280 287 S C -1.078 173.481 174.600 -0.069 0.000 1.112 287 S CA -0.602 57.480 58.200 -0.198 0.000 0.925 287 S CB 1.845 64.941 63.200 -0.173 0.000 1.067 287 S HN 0.644 nan 8.310 nan 0.000 0.479 288 S N 1.782 117.426 115.700 -0.092 0.000 2.537 288 S HA 0.730 5.200 4.470 0.001 0.000 0.275 288 S C -1.346 173.373 174.600 0.199 0.000 1.272 288 S CA -0.246 57.992 58.200 0.062 0.000 1.050 288 S CB 0.067 63.298 63.200 0.052 0.000 0.961 288 S HN 0.514 nan 8.310 nan 0.000 0.496 289 F N 4.202 124.221 119.950 0.115 0.000 2.915 289 F HA 0.425 4.952 4.527 0.000 0.000 0.350 289 F C -0.497 175.404 175.800 0.169 0.000 1.248 289 F CA -0.347 57.771 58.000 0.196 0.000 1.084 289 F CB 1.236 40.384 39.000 0.248 0.000 1.391 289 F HN 0.673 nan 8.300 nan 0.000 0.548 290 T N 1.926 116.472 114.554 -0.013 0.000 2.903 290 T HA 0.919 5.269 4.350 0.001 0.000 0.299 290 T C -0.924 173.738 174.700 -0.063 0.000 1.093 290 T CA -0.845 61.240 62.100 -0.025 0.000 1.002 290 T CB 1.861 70.786 68.868 0.096 0.000 1.127 290 T HN 0.870 nan 8.240 nan 0.000 0.488 291 A N 1.619 124.442 122.820 0.005 0.000 2.288 291 A HA 0.856 5.176 4.320 0.001 0.000 0.320 291 A C 0.095 177.760 177.584 0.135 0.000 1.217 291 A CA -0.673 51.426 52.037 0.104 0.000 0.840 291 A CB 0.514 19.619 19.000 0.175 0.000 1.179 291 A HN 1.816 nan 8.150 nan 0.000 0.504 292 V N -0.514 119.494 119.914 0.156 0.000 3.130 292 V HA 0.853 4.973 4.120 0.001 0.000 0.310 292 V C -0.376 175.804 176.094 0.144 0.000 1.158 292 V CA -0.663 61.732 62.300 0.159 0.000 1.029 292 V CB 1.623 33.535 31.823 0.148 0.000 1.057 292 V HN 0.680 nan 8.190 nan 0.000 0.436 293 T N 3.458 118.114 114.554 0.170 0.000 2.772 293 T HA 0.709 5.060 4.350 0.001 0.000 0.288 293 T C -0.373 174.423 174.700 0.160 0.000 0.994 293 T CA 0.074 62.258 62.100 0.140 0.000 0.951 293 T CB 0.428 69.368 68.868 0.120 0.000 0.933 293 T HN 0.611 nan 8.240 nan 0.000 0.447 294 I N 2.744 123.347 120.570 0.056 0.000 2.406 294 I HA 0.283 4.453 4.170 0.001 0.000 0.290 294 I C 0.311 176.456 176.117 0.046 0.000 0.999 294 I CA -0.722 60.584 61.300 0.010 0.000 1.124 294 I CB 1.418 39.309 38.000 -0.183 0.000 1.289 294 I HN 0.599 nan 8.210 nan 0.000 0.441 295 E N 4.736 124.983 120.200 0.078 0.000 2.328 295 E HA -0.277 4.073 4.350 0.001 0.000 0.233 295 E C 1.064 177.696 176.600 0.053 0.000 1.219 295 E CA 0.960 57.393 56.400 0.055 0.000 0.717 295 E CB -1.315 28.399 29.700 0.023 0.000 1.210 295 E HN 1.228 nan 8.360 nan 0.000 0.381 296 G N -0.712 108.129 108.800 0.067 0.000 2.184 296 G HA2 -0.355 3.606 3.960 0.001 0.000 0.264 296 G HA3 -0.355 3.606 3.960 0.001 0.000 0.264 296 G C 0.310 175.247 174.900 0.062 0.000 0.975 296 G CA 0.734 45.868 45.100 0.058 0.000 0.642 296 G HN 0.301 nan 8.290 nan 0.000 0.536 297 M N 0.026 119.673 119.600 0.078 0.000 2.205 297 M HA 0.546 5.027 4.480 0.001 0.000 0.344 297 M C 0.326 176.701 176.300 0.126 0.000 1.085 297 M CA -0.975 54.389 55.300 0.106 0.000 1.001 297 M CB 1.801 34.483 32.600 0.136 0.000 1.626 297 M HN 0.046 nan 8.290 nan 0.000 0.442 298 R N 2.772 123.346 120.500 0.123 0.000 2.316 298 R HA 0.488 4.828 4.340 0.001 0.000 0.314 298 R C -1.016 175.519 176.300 0.393 0.000 1.069 298 R CA -0.153 56.036 56.100 0.148 0.000 0.959 298 R CB 0.177 30.440 30.300 -0.061 0.000 0.987 298 R HN 0.634 nan 8.270 nan 0.000 0.446 299 V N 0.840 120.996 119.914 0.404 0.000 3.165 299 V HA 0.664 4.784 4.120 0.001 0.000 0.309 299 V C -0.556 175.718 176.094 0.301 0.000 1.267 299 V CA -1.210 61.336 62.300 0.410 0.000 1.067 299 V CB 2.373 34.361 31.823 0.275 0.000 1.082 299 V HN 0.638 nan 8.190 nan 0.000 0.451 300 M N 1.586 121.283 119.600 0.162 0.000 2.465 300 M HA 0.675 5.155 4.480 0.001 0.000 0.316 300 M C -1.445 174.970 176.300 0.191 0.000 1.121 300 M CA -0.425 54.922 55.300 0.077 0.000 0.934 300 M CB 2.263 34.801 32.600 -0.103 0.000 1.692 300 M HN 0.561 nan 8.290 nan 0.000 0.444 301 L N 2.625 123.963 121.223 0.190 0.000 2.341 301 L HA 0.673 5.013 4.340 0.001 0.000 0.278 301 L C -1.398 175.711 176.870 0.399 0.000 1.005 301 L CA -0.586 54.415 54.840 0.269 0.000 0.818 301 L CB 1.781 43.939 42.059 0.166 0.000 1.259 301 L HN 0.586 nan 8.230 nan 0.000 0.418 302 F N 2.225 122.327 119.950 0.254 0.000 2.561 302 F HA 0.622 5.149 4.527 0.000 0.000 0.313 302 F C -0.297 175.574 175.800 0.118 0.000 1.126 302 F CA -0.322 57.770 58.000 0.155 0.000 0.918 302 F CB 1.984 40.922 39.000 -0.104 0.000 1.199 302 F HN 0.465 nan 8.300 nan 0.000 0.444 303 T N 2.897 116.998 114.554 -0.755 0.000 2.856 303 T HA 0.544 4.895 4.350 0.001 0.000 0.283 303 T C -1.388 172.827 174.700 -0.808 0.000 1.008 303 T CA -0.566 61.202 62.100 -0.554 0.000 0.997 303 T CB 1.704 70.415 68.868 -0.262 0.000 0.992 303 T HN 0.832 nan 8.240 nan 0.000 0.454 304 H N 1.895 120.687 119.070 -0.464 0.000 3.123 304 H HA 0.373 4.929 4.556 0.000 0.000 0.346 304 H C -3.268 172.018 175.328 -0.070 0.000 1.138 304 H CA -1.407 54.466 56.048 -0.292 0.000 1.273 304 H CB 2.702 32.289 29.762 -0.291 0.000 1.926 304 H HN 0.486 nan 8.280 nan 0.000 0.524 305 P HA 0.115 nan 4.420 nan 0.000 0.274 305 P C 0.817 178.238 177.300 0.201 0.000 1.231 305 P CA -0.370 62.729 63.100 -0.001 0.000 0.790 305 P CB 1.735 33.392 31.700 -0.071 0.000 0.951 306 L N 0.766 122.049 121.223 0.100 0.000 2.270 306 L HA -0.016 4.324 4.340 0.001 0.000 0.210 306 L C 0.841 177.842 176.870 0.219 0.000 1.104 306 L CA 0.656 55.598 54.840 0.170 0.000 0.804 306 L CB -0.802 41.273 42.059 0.026 0.000 0.937 306 L HN 0.492 nan 8.230 nan 0.000 0.450 307 N N -0.444 118.327 118.700 0.117 0.000 2.738 307 N HA -0.250 4.490 4.740 0.001 0.000 0.249 307 N C 0.567 176.250 175.510 0.288 0.000 1.047 307 N CA 0.361 53.503 53.050 0.153 0.000 0.707 307 N CB -1.506 37.061 38.487 0.134 0.000 0.937 307 N HN 0.310 nan 8.380 nan 0.000 0.545 308 F N 0.002 119.978 119.950 0.045 0.000 2.202 308 F HA -0.213 4.314 4.527 0.000 0.000 0.301 308 F C 2.052 177.868 175.800 0.027 0.000 1.082 308 F CA 1.000 59.021 58.000 0.035 0.000 1.313 308 F CB 0.060 39.078 39.000 0.031 0.000 1.024 308 F HN 0.217 nan 8.300 nan 0.000 0.495 309 K N 0.221 120.754 120.400 0.221 0.000 2.167 309 K HA 0.147 4.467 4.320 0.001 0.000 0.203 309 K C 1.037 177.692 176.600 0.092 0.000 1.052 309 K CA 0.501 56.865 56.287 0.129 0.000 0.956 309 K CB -0.284 32.273 32.500 0.096 0.000 0.735 309 K HN 0.342 nan 8.250 nan 0.000 0.451 310 G N 0.973 109.823 108.800 0.082 0.000 2.728 310 G HA2 -0.282 3.678 3.960 0.001 0.000 0.294 310 G HA3 -0.282 3.678 3.960 0.001 0.000 0.294 310 G C -0.501 174.401 174.900 0.004 0.000 1.342 310 G CA -0.273 44.847 45.100 0.033 0.000 0.866 310 G HN 0.310 nan 8.290 nan 0.000 0.534 311 R N -2.290 118.158 120.500 -0.085 0.000 3.815 311 R HA -0.230 4.110 4.340 0.001 0.000 0.470 311 R C 1.050 177.207 176.300 -0.239 0.000 0.241 311 R CA 2.172 58.151 56.100 -0.203 0.000 1.481 311 R CB -1.308 29.044 30.300 0.087 0.000 0.988 311 R HN 0.804 nan 8.270 nan 0.000 0.570 312 W N 1.319 122.651 121.300 0.055 0.000 3.239 312 W HA 0.218 4.878 4.660 0.001 0.000 0.368 312 W C 1.558 178.108 176.519 0.052 0.000 1.154 312 W CA -0.154 57.222 57.345 0.052 0.000 1.860 312 W CB -0.148 29.341 29.460 0.048 0.000 1.094 312 W HN 0.352 nan 8.180 nan 0.000 0.643 313 L N 0.750 122.089 121.223 0.193 0.000 2.012 313 L HA -0.138 4.202 4.340 0.001 0.000 0.210 313 L C 1.173 178.094 176.870 0.085 0.000 1.073 313 L CA 1.400 56.312 54.840 0.120 0.000 0.748 313 L CB -0.612 41.499 42.059 0.087 0.000 0.891 313 L HN -0.050 nan 8.230 nan 0.000 0.431 314 R N 1.302 121.848 120.500 0.077 0.000 3.188 314 R HA -0.147 4.193 4.340 0.001 0.000 0.247 314 R C -0.359 175.951 176.300 0.017 0.000 0.918 314 R CA 0.584 56.717 56.100 0.056 0.000 0.629 314 R CB -1.866 28.485 30.300 0.086 0.000 1.087 314 R HN 0.605 nan 8.270 nan 0.000 0.462 315 D N 0.981 121.380 120.400 -0.002 0.000 2.357 315 D HA 0.131 4.772 4.640 0.001 0.000 0.242 315 D C -0.027 176.199 176.300 -0.124 0.000 1.153 315 D CA -0.394 53.573 54.000 -0.055 0.000 0.918 315 D CB 0.562 41.327 40.800 -0.058 0.000 1.181 315 D HN 0.278 nan 8.370 nan 0.000 0.435 316 R N -0.787 119.616 120.500 -0.161 0.000 2.920 316 R HA -0.185 4.156 4.340 0.001 0.000 0.282 316 R C -0.721 175.472 176.300 -0.178 0.000 0.954 316 R CA -0.245 55.724 56.100 -0.219 0.000 0.659 316 R CB -1.793 28.268 30.300 -0.398 0.000 1.559 316 R HN 0.475 nan 8.270 nan 0.000 0.443 317 L N 2.089 123.198 121.223 -0.189 0.000 2.477 317 L HA 0.165 4.505 4.340 0.001 0.000 0.272 317 L C 0.253 177.012 176.870 -0.186 0.000 1.157 317 L CA 0.678 55.398 54.840 -0.200 0.000 0.889 317 L CB 0.454 42.313 42.059 -0.334 0.000 1.158 317 L HN 0.289 nan 8.230 nan 0.000 0.473 318 N N 4.292 122.918 118.700 -0.123 0.000 2.370 318 N HA 0.483 5.224 4.740 0.001 0.000 0.303 318 N C -1.520 173.885 175.510 -0.176 0.000 1.103 318 N CA -0.730 52.214 53.050 -0.176 0.000 0.848 318 N CB 2.283 40.678 38.487 -0.153 0.000 1.235 318 N HN 0.437 nan 8.380 nan 0.000 0.496 319 L N 1.870 122.926 121.223 -0.279 0.000 2.346 319 L HA 0.621 4.961 4.340 0.001 0.000 0.276 319 L C -1.769 174.976 176.870 -0.209 0.000 1.006 319 L CA -0.419 54.339 54.840 -0.136 0.000 0.817 319 L CB 0.992 43.002 42.059 -0.082 0.000 1.272 319 L HN 0.521 nan 8.230 nan 0.000 0.421 320 W N 5.100 126.495 121.300 0.159 0.000 2.864 320 W HA 0.702 5.362 4.660 0.001 0.000 0.343 320 W C -1.276 175.442 176.519 0.331 0.000 1.109 320 W CA -0.641 56.888 57.345 0.306 0.000 1.192 320 W CB 1.768 31.535 29.460 0.512 0.000 1.426 320 W HN 0.446 nan 8.180 nan 0.000 0.529 321 L N 2.225 123.828 121.223 0.632 0.000 2.410 321 L HA 0.868 5.209 4.340 0.001 0.000 0.270 321 L C -0.617 176.620 176.870 0.611 0.000 0.983 321 L CA -0.065 55.072 54.840 0.497 0.000 0.822 321 L CB 2.062 44.337 42.059 0.360 0.000 1.285 321 L HN 0.399 nan 8.230 nan 0.000 0.409 322 T N 1.219 116.076 114.554 0.505 0.000 2.889 322 T HA 0.449 4.799 4.350 0.001 0.000 0.315 322 T C -0.997 173.885 174.700 0.304 0.000 1.291 322 T CA -0.132 62.243 62.100 0.459 0.000 1.028 322 T CB 1.254 70.312 68.868 0.317 0.000 1.235 322 T HN 0.760 nan 8.240 nan 0.000 0.491 323 D N 2.420 122.945 120.400 0.209 0.000 2.525 323 D HA 0.191 4.831 4.640 0.001 0.000 0.229 323 D C 0.760 177.022 176.300 -0.063 0.000 1.202 323 D CA -0.319 53.771 54.000 0.150 0.000 0.828 323 D CB -0.707 40.227 40.800 0.223 0.000 1.008 323 D HN 0.788 nan 8.370 nan 0.000 0.493 324 N N -0.126 118.421 118.700 -0.255 0.000 2.878 324 N HA -0.258 4.482 4.740 0.001 0.000 0.247 324 N C 0.256 175.653 175.510 -0.189 0.000 1.021 324 N CA 1.195 54.069 53.050 -0.294 0.000 0.873 324 N CB -0.298 37.941 38.487 -0.413 0.000 1.128 324 N HN 0.470 nan 8.380 nan 0.000 0.571 325 Q N -0.757 118.921 119.800 -0.203 0.000 2.258 325 Q HA 0.216 4.556 4.340 0.001 0.000 0.173 325 Q C -0.119 175.723 176.000 -0.263 0.000 0.618 325 Q CA -0.265 55.371 55.803 -0.278 0.000 0.841 325 Q CB 0.371 28.915 28.738 -0.323 0.000 1.177 325 Q HN 0.113 nan 8.270 nan 0.000 0.441 326 R N 1.018 121.302 120.500 -0.359 0.000 2.500 326 R HA 0.538 4.879 4.340 0.001 0.000 0.275 326 R C -0.558 175.778 176.300 0.060 0.000 1.051 326 R CA 0.149 56.100 56.100 -0.247 0.000 1.088 326 R CB 0.993 30.883 30.300 -0.683 0.000 1.063 326 R HN 0.142 nan 8.270 nan 0.000 0.511 327 I N 2.274 123.010 120.570 0.276 0.000 2.503 327 I HA 0.199 4.370 4.170 0.001 0.000 0.282 327 I C -1.406 175.073 176.117 0.602 0.000 1.059 327 I CA -0.771 60.776 61.300 0.411 0.000 1.081 327 I CB 1.236 39.341 38.000 0.175 0.000 1.210 327 I HN 0.534 nan 8.210 nan 0.000 0.450 328 Y N 6.225 126.890 120.300 0.609 0.000 2.341 328 Y HA 0.409 4.959 4.550 0.000 0.000 0.337 328 Y C 0.053 176.203 175.900 0.417 0.000 1.014 328 Y CA -0.773 57.625 58.100 0.497 0.000 1.111 328 Y CB 1.286 40.002 38.460 0.425 0.000 1.194 328 Y HN 0.540 nan 8.280 nan 0.000 0.462 329 N N 4.636 123.040 118.700 -0.493 0.000 2.415 329 N HA 0.117 4.857 4.740 0.001 0.000 0.250 329 N C 0.284 175.257 175.510 -0.895 0.000 1.127 329 N CA 0.111 52.634 53.050 -0.878 0.000 0.945 329 N CB 0.886 38.820 38.487 -0.922 0.000 1.196 329 N HN 0.583 nan 8.380 nan 0.000 0.499 330 V N 2.411 122.074 119.914 -0.419 0.000 2.427 330 V HA 0.192 4.312 4.120 0.001 0.000 0.248 330 V C 1.457 177.436 176.094 -0.191 0.000 1.051 330 V CA 1.592 63.833 62.300 -0.098 0.000 1.048 330 V CB -1.473 30.365 31.823 0.026 0.000 0.666 330 V HN 0.926 nan 8.190 nan 0.000 0.456 331 G N -1.018 107.590 108.800 -0.319 0.000 2.346 331 G HA2 0.011 3.972 3.960 0.001 0.000 0.294 331 G HA3 0.011 3.972 3.960 0.001 0.000 0.294 331 G C -0.982 173.773 174.900 -0.241 0.000 1.294 331 G CA -0.341 44.600 45.100 -0.263 0.000 0.962 331 G HN 0.198 nan 8.290 nan 0.000 0.508 332 Q N -0.351 119.340 119.800 -0.181 0.000 2.295 332 Q HA 0.520 4.860 4.340 0.001 0.000 0.259 332 Q C 0.863 176.783 176.000 -0.134 0.000 0.976 332 Q CA -0.349 55.356 55.803 -0.164 0.000 0.923 332 Q CB 1.370 30.022 28.738 -0.144 0.000 1.185 332 Q HN 0.448 nan 8.270 nan 0.000 0.410 333 V N 2.594 122.415 119.914 -0.156 0.000 2.500 333 V HA -0.076 4.045 4.120 0.001 0.000 0.243 333 V C 0.913 176.942 176.094 -0.107 0.000 1.039 333 V CA 1.263 63.486 62.300 -0.129 0.000 1.053 333 V CB 0.137 31.860 31.823 -0.166 0.000 0.695 333 V HN 0.869 nan 8.190 nan 0.000 0.463 334 S N 0.180 115.765 115.700 -0.191 0.000 2.626 334 S HA 0.474 4.945 4.470 0.001 0.000 0.257 334 S C -0.352 174.233 174.600 -0.024 0.000 1.288 334 S CA -0.316 57.828 58.200 -0.093 0.000 0.980 334 S CB 0.868 63.974 63.200 -0.157 0.000 0.975 334 S HN 0.210 nan 8.310 nan 0.000 0.577 335 I N 1.278 121.859 120.570 0.018 0.000 2.404 335 I HA 0.556 4.726 4.170 0.001 0.000 0.293 335 I C 1.174 177.285 176.117 -0.010 0.000 0.992 335 I CA -0.058 61.245 61.300 0.004 0.000 1.149 335 I CB 0.929 38.943 38.000 0.023 0.000 1.315 335 I HN 1.120 nan 8.210 nan 0.000 0.446 336 G N 5.560 114.347 108.800 -0.021 0.000 2.611 336 G HA2 -0.330 3.630 3.960 0.001 0.000 0.301 336 G HA3 -0.330 3.630 3.960 0.001 0.000 0.301 336 G C 0.320 175.197 174.900 -0.037 0.000 1.233 336 G CA 0.599 45.686 45.100 -0.021 0.000 0.993 336 G HN 0.872 nan 8.290 nan 0.000 0.553 337 D N 1.728 122.115 120.400 -0.022 0.000 2.463 337 D HA 0.162 4.802 4.640 0.001 0.000 0.224 337 D C 0.874 177.161 176.300 -0.022 0.000 1.174 337 D CA 0.656 54.641 54.000 -0.025 0.000 0.829 337 D CB -0.550 40.254 40.800 0.006 0.000 0.993 337 D HN 0.960 nan 8.370 nan 0.000 0.497 338 E N 0.528 120.715 120.200 -0.021 0.000 2.415 338 E HA 0.015 4.365 4.350 0.001 0.000 0.262 338 E C -0.357 176.230 176.600 -0.022 0.000 1.038 338 E CA -0.456 55.935 56.400 -0.015 0.000 0.921 338 E CB 0.420 30.121 29.700 0.003 0.000 0.950 338 E HN -0.086 nan 8.360 nan 0.000 0.438 339 N N 1.823 120.507 118.700 -0.028 0.000 2.475 339 N HA 0.052 4.793 4.740 0.001 0.000 0.267 339 N C -0.900 174.603 175.510 -0.010 0.000 1.169 339 N CA 0.061 53.093 53.050 -0.030 0.000 0.947 339 N CB 1.162 39.613 38.487 -0.060 0.000 1.061 339 N HN 0.582 nan 8.380 nan 0.000 0.466 340 S N -0.535 115.171 115.700 0.009 0.000 2.479 340 S HA 0.538 5.008 4.470 0.001 0.000 0.169 340 S C 0.284 174.913 174.600 0.048 0.000 1.181 340 S CA -0.731 57.502 58.200 0.055 0.000 1.169 340 S CB 0.540 63.745 63.200 0.008 0.000 1.384 340 S HN 0.511 nan 8.310 nan 0.000 0.412 341 A N 2.076 124.963 122.820 0.111 0.000 1.864 341 A HA 0.465 4.785 4.320 0.001 0.000 0.213 341 A C 0.085 177.891 177.584 0.370 0.000 1.266 341 A CA 0.700 52.858 52.037 0.200 0.000 0.612 341 A CB -0.367 18.759 19.000 0.210 0.000 0.940 341 A HN 0.699 nan 8.150 nan 0.000 0.463 342 Y N 0.650 120.964 120.300 0.024 0.000 2.310 342 Y HA 0.555 5.106 4.550 0.000 0.000 0.326 342 Y C 0.715 176.634 175.900 0.031 0.000 1.151 342 Y CA -1.194 56.907 58.100 0.001 0.000 1.195 342 Y CB 0.970 39.439 38.460 0.014 0.000 1.210 342 Y HN 0.418 nan 8.280 nan 0.000 0.483 343 S N 0.091 115.868 115.700 0.128 0.000 2.625 343 S HA 0.775 5.245 4.470 0.001 0.000 0.271 343 S C -1.088 173.561 174.600 0.082 0.000 1.161 343 S CA -0.936 57.331 58.200 0.112 0.000 0.820 343 S CB 2.169 65.395 63.200 0.044 0.000 1.137 343 S HN 0.476 nan 8.310 nan 0.000 0.470 344 S N 0.493 116.262 115.700 0.114 0.000 2.677 344 S HA 0.616 5.086 4.470 0.001 0.000 0.283 344 S C -1.420 173.270 174.600 0.150 0.000 1.159 344 S CA -0.486 57.789 58.200 0.125 0.000 1.001 344 S CB 1.021 64.304 63.200 0.138 0.000 1.032 344 S HN 0.815 nan 8.310 nan 0.000 0.487 345 V N 5.407 125.406 119.914 0.143 0.000 2.427 345 V HA 0.658 4.778 4.120 0.001 0.000 0.286 345 V C -0.437 175.784 176.094 0.210 0.000 1.034 345 V CA -0.696 61.702 62.300 0.164 0.000 0.893 345 V CB 1.394 33.292 31.823 0.126 0.000 0.982 345 V HN 0.760 nan 8.190 nan 0.000 0.452 346 L N 5.353 126.738 121.223 0.270 0.000 2.385 346 L HA 0.592 4.932 4.340 0.001 0.000 0.273 346 L C -1.440 175.676 176.870 0.410 0.000 0.990 346 L CA -0.453 54.577 54.840 0.317 0.000 0.821 346 L CB 1.711 43.965 42.059 0.324 0.000 1.279 346 L HN 0.633 nan 8.230 nan 0.000 0.412 347 Y N 5.244 125.669 120.300 0.208 0.000 2.345 347 Y HA 0.593 5.144 4.550 0.000 0.000 0.331 347 Y C -0.979 175.032 175.900 0.185 0.000 0.959 347 Y CA -0.703 57.501 58.100 0.173 0.000 1.204 347 Y CB 0.867 39.395 38.460 0.113 0.000 1.135 347 Y HN 0.695 nan 8.280 nan 0.000 0.477 348 K N 5.602 125.953 120.400 -0.081 0.000 2.541 348 K HA 0.271 4.592 4.320 0.001 0.000 0.250 348 K C -0.970 175.546 176.600 -0.140 0.000 0.950 348 K CA -0.430 55.813 56.287 -0.072 0.000 0.805 348 K CB 0.905 33.473 32.500 0.113 0.000 1.166 348 K HN 0.760 nan 8.250 nan 0.000 0.430 349 D N 3.956 124.235 120.400 -0.202 0.000 2.686 349 D HA -0.210 4.431 4.640 0.001 0.000 0.235 349 D C -0.356 175.837 176.300 -0.179 0.000 1.160 349 D CA 1.843 55.757 54.000 -0.143 0.000 0.645 349 D CB -0.642 40.134 40.800 -0.041 0.000 1.039 349 D HN 1.005 nan 8.370 nan 0.000 0.423 350 D N -1.234 118.916 120.400 -0.417 0.000 2.945 350 D HA -0.188 4.453 4.640 0.001 0.000 0.225 350 D C -0.660 175.623 176.300 -0.028 0.000 1.158 350 D CA 1.153 55.027 54.000 -0.210 0.000 0.805 350 D CB -0.030 40.771 40.800 0.003 0.000 1.098 350 D HN 0.260 nan 8.370 nan 0.000 0.426 351 K N 0.048 120.385 120.400 -0.105 0.000 2.316 351 K HA 0.603 4.924 4.320 0.001 0.000 0.251 351 K C -0.546 175.979 176.600 -0.126 0.000 0.934 351 K CA -1.004 55.217 56.287 -0.110 0.000 0.802 351 K CB 1.889 34.324 32.500 -0.108 0.000 1.171 351 K HN 0.102 nan 8.250 nan 0.000 0.426 352 L N 3.047 124.124 121.223 -0.244 0.000 2.317 352 L HA 0.487 4.827 4.340 0.001 0.000 0.281 352 L C -1.448 175.141 176.870 -0.469 0.000 1.024 352 L CA -0.340 54.426 54.840 -0.122 0.000 0.810 352 L CB 0.717 42.777 42.059 0.002 0.000 1.240 352 L HN 0.476 nan 8.230 nan 0.000 0.427 353 Y N 2.715 123.052 120.300 0.063 0.000 2.576 353 Y HA 0.643 5.194 4.550 0.001 0.000 0.346 353 Y C -0.447 175.440 175.900 -0.021 0.000 1.018 353 Y CA -0.668 57.395 58.100 -0.061 0.000 1.050 353 Y CB 2.048 40.475 38.460 -0.055 0.000 1.280 353 Y HN 0.611 nan 8.280 nan 0.000 0.474 354 C N 3.082 122.422 119.300 0.067 0.000 2.481 354 C HA 0.678 5.138 4.460 0.001 0.000 0.324 354 C C -1.457 173.608 174.990 0.125 0.000 1.170 354 C CA -0.750 58.341 59.018 0.121 0.000 1.361 354 C CB -0.068 27.748 27.740 0.127 0.000 1.977 354 C HN 0.765 nan 8.230 nan 0.000 0.459 355 L N 7.290 128.636 121.223 0.205 0.000 2.257 355 L HA 0.699 5.039 4.340 0.001 0.000 0.290 355 L C -0.123 176.853 176.870 0.177 0.000 1.044 355 L CA 0.715 55.676 54.840 0.202 0.000 0.810 355 L CB 0.290 42.487 42.059 0.231 0.000 1.193 355 L HN 0.941 nan 8.230 nan 0.000 0.425 356 H N 1.514 120.627 119.070 0.071 0.000 2.985 356 H HA 0.640 5.196 4.556 0.000 0.000 0.360 356 H C -1.173 174.186 175.328 0.051 0.000 1.221 356 H CA -0.995 55.085 56.048 0.053 0.000 1.121 356 H CB 0.889 30.673 29.762 0.037 0.000 1.854 356 H HN 0.548 nan 8.280 nan 0.000 0.551 357 E N 1.122 121.471 120.200 0.249 0.000 2.343 357 E HA 0.338 4.689 4.350 0.001 0.000 0.269 357 E C -0.172 176.544 176.600 0.194 0.000 1.047 357 E CA -0.592 55.912 56.400 0.174 0.000 0.874 357 E CB 1.462 31.282 29.700 0.200 0.000 1.033 357 E HN 0.559 nan 8.360 nan 0.000 0.409 358 I N -0.312 120.301 120.570 0.070 0.000 2.608 358 I HA 0.493 4.664 4.170 0.001 0.000 0.295 358 I C -1.013 175.045 176.117 -0.097 0.000 1.049 358 I CA -0.855 60.457 61.300 0.021 0.000 1.063 358 I CB 2.026 40.028 38.000 0.002 0.000 1.248 358 I HN 0.402 nan 8.210 nan 0.000 0.424 359 N N 3.913 122.489 118.700 -0.207 0.000 2.461 359 N HA 0.420 5.161 4.740 0.001 0.000 0.284 359 N C -1.643 173.696 175.510 -0.286 0.000 1.049 359 N CA -0.291 52.470 53.050 -0.481 0.000 0.889 359 N CB 1.871 39.861 38.487 -0.829 0.000 1.365 359 N HN 0.706 nan 8.380 nan 0.000 0.499 360 S N 2.632 118.190 115.700 -0.237 0.000 2.552 360 S HA 0.322 4.793 4.470 0.001 0.000 0.314 360 S C -0.185 174.346 174.600 -0.114 0.000 1.099 360 S CA -0.648 57.472 58.200 -0.132 0.000 1.070 360 S CB 0.958 64.110 63.200 -0.081 0.000 0.998 360 S HN 0.765 nan 8.310 nan 0.000 0.474 361 N N 2.853 121.508 118.700 -0.076 0.000 2.721 361 N HA -0.151 4.590 4.740 0.001 0.000 0.249 361 N C -0.519 174.989 175.510 -0.003 0.000 1.072 361 N CA 0.992 54.025 53.050 -0.028 0.000 0.710 361 N CB -0.789 37.692 38.487 -0.011 0.000 0.993 361 N HN 0.770 nan 8.380 nan 0.000 0.547 362 E N -3.239 116.929 120.200 -0.053 0.000 2.637 362 E HA -0.193 4.157 4.350 0.001 0.000 0.265 362 E C -0.601 176.117 176.600 0.197 0.000 1.073 362 E CA 0.872 57.305 56.400 0.055 0.000 0.778 362 E CB -1.809 27.987 29.700 0.160 0.000 1.362 362 E HN 0.425 nan 8.360 nan 0.000 0.413 363 V N 0.962 120.875 119.914 -0.001 0.000 2.444 363 V HA 0.451 4.571 4.120 0.001 0.000 0.294 363 V C -0.306 175.762 176.094 -0.043 0.000 1.022 363 V CA -0.712 61.615 62.300 0.044 0.000 0.850 363 V CB 1.059 32.803 31.823 -0.131 0.000 0.992 363 V HN 0.060 nan 8.190 nan 0.000 0.426 364 Y N 1.766 122.066 120.300 -0.001 0.000 2.341 364 Y HA 0.664 5.215 4.550 0.001 0.000 0.338 364 Y C 0.648 176.590 175.900 0.069 0.000 0.965 364 Y CA -0.450 57.659 58.100 0.016 0.000 1.108 364 Y CB 2.267 40.726 38.460 -0.002 0.000 1.180 364 Y HN 0.611 nan 8.280 nan 0.000 0.458 365 S N 3.357 119.159 115.700 0.170 0.000 2.664 365 S HA 0.695 5.166 4.470 0.001 0.000 0.304 365 S C -0.852 173.801 174.600 0.088 0.000 1.099 365 S CA -0.918 57.378 58.200 0.159 0.000 1.003 365 S CB 1.111 64.354 63.200 0.073 0.000 1.092 365 S HN 0.453 nan 8.310 nan 0.000 0.525 366 L N 2.402 123.645 121.223 0.033 0.000 2.305 366 L HA 0.546 4.886 4.340 0.001 0.000 0.284 366 L C -0.199 176.648 176.870 -0.039 0.000 1.013 366 L CA -0.965 53.850 54.840 -0.043 0.000 0.819 366 L CB 1.248 43.211 42.059 -0.159 0.000 1.227 366 L HN 0.463 nan 8.230 nan 0.000 0.417 367 V N 0.180 120.002 119.914 -0.152 0.000 2.743 367 V HA 0.482 4.602 4.120 0.001 0.000 0.301 367 V C -0.723 175.363 176.094 -0.015 0.000 1.057 367 V CA -0.559 61.664 62.300 -0.127 0.000 1.006 367 V CB 1.679 33.351 31.823 -0.252 0.000 1.024 367 V HN 0.557 nan 8.190 nan 0.000 0.473 368 F N 3.655 123.572 119.950 -0.054 0.000 2.403 368 F HA 0.830 5.357 4.527 0.001 0.000 0.355 368 F C 0.177 176.044 175.800 0.112 0.000 1.119 368 F CA -0.548 57.484 58.000 0.055 0.000 1.007 368 F CB 0.568 39.619 39.000 0.085 0.000 1.194 368 F HN 0.958 nan 8.300 nan 0.000 0.443 369 A N 6.449 129.065 122.820 -0.341 0.000 2.337 369 A HA 0.757 5.077 4.320 0.001 0.000 0.329 369 A C -0.658 176.756 177.584 -0.283 0.000 1.146 369 A CA -0.944 50.967 52.037 -0.209 0.000 0.800 369 A CB 0.913 19.894 19.000 -0.031 0.000 1.220 369 A HN 0.820 nan 8.150 nan 0.000 0.472 370 R N 2.112 122.522 120.500 -0.151 0.000 2.198 370 R HA 0.331 4.671 4.340 0.001 0.000 0.339 370 R C -0.927 175.294 176.300 -0.132 0.000 1.020 370 R CA -0.240 55.769 56.100 -0.151 0.000 0.864 370 R CB 0.738 31.011 30.300 -0.045 0.000 1.105 370 R HN 0.621 nan 8.270 nan 0.000 0.463 371 L N 4.315 125.435 121.223 -0.172 0.000 2.480 371 L HA 0.090 4.430 4.340 0.001 0.000 0.243 371 L C 1.235 178.045 176.870 -0.100 0.000 1.315 371 L CA -0.236 54.541 54.840 -0.105 0.000 1.231 371 L CB 0.221 42.233 42.059 -0.078 0.000 1.444 371 L HN 0.566 nan 8.230 nan 0.000 0.409 372 V N 1.191 121.057 119.914 -0.080 0.000 2.323 372 V HA -0.132 3.988 4.120 0.001 0.000 0.244 372 V C 2.453 178.523 176.094 -0.040 0.000 1.041 372 V CA 2.111 64.375 62.300 -0.061 0.000 1.025 372 V CB -0.459 31.338 31.823 -0.044 0.000 0.656 372 V HN 0.821 nan 8.190 nan 0.000 0.451 373 G N -0.272 108.509 108.800 -0.032 0.000 2.418 373 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 373 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 373 G C 1.434 176.320 174.900 -0.022 0.000 1.158 373 G CA 0.936 46.022 45.100 -0.022 0.000 0.771 373 G HN 0.526 nan 8.290 nan 0.000 0.545 374 E N -0.248 119.935 120.200 -0.028 0.000 2.106 374 E HA -0.045 4.306 4.350 0.001 0.000 0.192 374 E C 2.276 178.860 176.600 -0.026 0.000 0.984 374 E CA 0.411 56.798 56.400 -0.022 0.000 0.806 374 E CB -0.286 29.397 29.700 -0.029 0.000 0.750 374 E HN 0.350 nan 8.360 nan 0.000 0.458 375 L N 0.858 122.059 121.223 -0.036 0.000 2.093 375 L HA -0.072 4.269 4.340 0.001 0.000 0.208 375 L C 2.230 179.075 176.870 -0.042 0.000 1.085 375 L CA 1.650 56.466 54.840 -0.040 0.000 0.755 375 L CB -0.282 41.765 42.059 -0.020 0.000 0.904 375 L HN -0.021 nan 8.230 nan 0.000 0.435 376 R N -0.263 120.217 120.500 -0.033 0.000 2.083 376 R HA -0.183 4.157 4.340 0.001 0.000 0.237 376 R C 2.310 178.580 176.300 -0.049 0.000 1.137 376 R CA 2.277 58.357 56.100 -0.034 0.000 0.951 376 R CB -0.480 29.805 30.300 -0.024 0.000 0.851 376 R HN 0.443 nan 8.270 nan 0.000 0.434 377 I N 0.770 121.319 120.570 -0.037 0.000 2.179 377 I HA -0.311 3.859 4.170 0.001 0.000 0.242 377 I C 2.377 178.425 176.117 -0.116 0.000 1.088 377 I CA 1.385 62.661 61.300 -0.040 0.000 1.357 377 I CB -0.224 37.797 38.000 0.035 0.000 1.051 377 I HN 0.242 nan 8.210 nan 0.000 0.409 378 I N 0.593 121.105 120.570 -0.096 0.000 2.194 378 I HA -0.348 3.822 4.170 0.001 0.000 0.246 378 I C 2.447 178.431 176.117 -0.222 0.000 1.093 378 I CA 1.650 62.852 61.300 -0.163 0.000 1.355 378 I CB -0.400 37.534 38.000 -0.109 0.000 1.046 378 I HN 0.201 nan 8.210 nan 0.000 0.413 379 K N -0.156 120.152 120.400 -0.153 0.000 2.148 379 K HA -0.125 4.195 4.320 0.001 0.000 0.204 379 K C 2.333 178.835 176.600 -0.164 0.000 1.050 379 K CA 1.334 57.538 56.287 -0.138 0.000 0.942 379 K CB -0.177 32.276 32.500 -0.078 0.000 0.724 379 K HN 0.178 nan 8.250 nan 0.000 0.446 380 S N 0.725 116.326 115.700 -0.165 0.000 2.356 380 S HA -0.108 4.362 4.470 0.001 0.000 0.223 380 S C 2.026 176.471 174.600 -0.257 0.000 1.032 380 S CA 1.014 59.114 58.200 -0.166 0.000 1.005 380 S CB -0.124 63.000 63.200 -0.126 0.000 0.867 380 S HN 0.059 nan 8.310 nan 0.000 0.449 381 V N 2.254 121.920 119.914 -0.413 0.000 2.343 381 V HA -0.131 3.989 4.120 0.001 0.000 0.247 381 V C 2.368 177.993 176.094 -0.783 0.000 1.051 381 V CA 1.777 63.675 62.300 -0.670 0.000 1.036 381 V CB -0.692 30.499 31.823 -1.054 0.000 0.654 381 V HN 0.486 nan 8.190 nan 0.000 0.451 382 L N -0.714 120.134 121.223 -0.625 0.000 2.131 382 L HA -0.171 4.169 4.340 0.001 0.000 0.210 382 L C 2.724 179.509 176.870 -0.142 0.000 1.092 382 L CA 1.170 55.763 54.840 -0.412 0.000 0.759 382 L CB -0.617 41.303 42.059 -0.231 0.000 0.903 382 L HN 0.336 nan 8.230 nan 0.000 0.435 383 Q N -0.058 119.650 119.800 -0.152 0.000 2.046 383 Q HA -0.143 4.197 4.340 0.001 0.000 0.200 383 Q C 2.480 178.430 176.000 -0.082 0.000 0.975 383 Q CA 1.790 57.538 55.803 -0.092 0.000 0.836 383 Q CB -0.191 28.483 28.738 -0.106 0.000 0.896 383 Q HN 0.443 nan 8.270 nan 0.000 0.428 384 S N 0.205 115.844 115.700 -0.101 0.000 2.365 384 S HA -0.178 4.293 4.470 0.001 0.000 0.225 384 S C 1.511 176.226 174.600 0.193 0.000 1.039 384 S CA 1.338 59.516 58.200 -0.038 0.000 1.033 384 S CB -0.390 62.843 63.200 0.055 0.000 0.887 384 S HN 0.434 nan 8.310 nan 0.000 0.447 385 W N 1.870 123.242 121.300 0.119 0.000 2.358 385 W HA 0.021 4.681 4.660 0.000 0.000 0.303 385 W C 2.405 179.063 176.519 0.231 0.000 1.208 385 W CA 0.488 58.013 57.345 0.300 0.000 1.274 385 W CB -1.014 28.621 29.460 0.292 0.000 1.138 385 W HN 0.319 nan 8.180 nan 0.000 0.515 386 K N 0.173 120.763 120.400 0.316 0.000 2.062 386 K HA -0.158 4.162 4.320 0.001 0.000 0.205 386 K C 1.776 178.439 176.600 0.106 0.000 1.051 386 K CA 1.473 57.877 56.287 0.195 0.000 0.941 386 K CB -0.281 32.285 32.500 0.111 0.000 0.719 386 K HN -0.071 nan 8.250 nan 0.000 0.440 387 N N 0.443 119.125 118.700 -0.030 0.000 2.069 387 N HA -0.181 4.560 4.740 0.001 0.000 0.191 387 N C 1.562 176.989 175.510 -0.139 0.000 1.031 387 N CA 1.579 54.504 53.050 -0.208 0.000 0.852 387 N CB -0.505 37.700 38.487 -0.471 0.000 1.018 387 N HN 0.368 nan 8.380 nan 0.000 0.423 388 W N 1.435 122.786 121.300 0.085 0.000 2.388 388 W HA -0.060 4.600 4.660 0.000 0.000 0.294 388 W C 1.860 178.512 176.519 0.221 0.000 1.212 388 W CA -0.002 57.406 57.345 0.104 0.000 1.271 388 W CB -0.149 29.225 29.460 -0.143 0.000 1.126 388 W HN -0.009 nan 8.180 nan 0.000 0.535 389 D N -0.311 120.360 120.400 0.451 0.000 2.123 389 D HA -0.190 4.450 4.640 0.001 0.000 0.196 389 D C 2.172 178.597 176.300 0.209 0.000 0.992 389 D CA 1.706 55.898 54.000 0.319 0.000 0.833 389 D CB -0.771 40.187 40.800 0.264 0.000 0.954 389 D HN -0.028 nan 8.370 nan 0.000 0.455 390 S N -0.746 115.062 115.700 0.179 0.000 2.355 390 S HA -0.227 4.244 4.470 0.001 0.000 0.222 390 S C 1.937 176.610 174.600 0.121 0.000 1.031 390 S CA 1.576 59.843 58.200 0.112 0.000 0.993 390 S CB -0.254 62.986 63.200 0.067 0.000 0.859 390 S HN 0.399 nan 8.310 nan 0.000 0.453 391 H N 1.103 120.212 119.070 0.065 0.000 2.290 391 H HA 0.003 4.560 4.556 0.001 0.000 0.298 391 H C 1.939 177.310 175.328 0.072 0.000 1.087 391 H CA 2.298 58.376 56.048 0.050 0.000 1.291 391 H CB -0.589 29.273 29.762 0.166 0.000 1.369 391 H HN 0.368 nan 8.280 nan 0.000 0.492 392 L N -0.625 120.622 121.223 0.041 0.000 2.046 392 L HA -0.138 4.202 4.340 0.001 0.000 0.208 392 L C 2.602 179.428 176.870 -0.073 0.000 1.077 392 L CA 1.445 56.232 54.840 -0.088 0.000 0.747 392 L CB -0.413 41.653 42.059 0.013 0.000 0.896 392 L HN 0.257 nan 8.230 nan 0.000 0.432 393 S N -0.784 114.913 115.700 -0.005 0.000 2.481 393 S HA -0.100 4.370 4.470 0.001 0.000 0.231 393 S C 2.065 176.652 174.600 -0.021 0.000 0.996 393 S CA 1.139 59.336 58.200 -0.005 0.000 0.942 393 S CB -0.094 63.121 63.200 0.025 0.000 0.768 393 S HN 0.592 nan 8.310 nan 0.000 0.520 394 S N 0.660 116.338 115.700 -0.035 0.000 2.528 394 S HA 0.210 4.681 4.470 0.001 0.000 0.219 394 S C 0.535 175.104 174.600 -0.051 0.000 0.985 394 S CA -0.239 57.942 58.200 -0.031 0.000 0.914 394 S CB -0.459 62.730 63.200 -0.018 0.000 0.776 394 S HN 0.368 nan 8.310 nan 0.000 0.526 395 I N 2.152 122.669 120.570 -0.089 0.000 2.598 395 I HA 0.042 4.212 4.170 0.001 0.000 0.284 395 I C 0.554 176.641 176.117 -0.050 0.000 1.140 395 I CA -0.473 60.777 61.300 -0.084 0.000 1.420 395 I CB 0.459 38.387 38.000 -0.120 0.000 1.387 395 I HN 0.299 nan 8.210 nan 0.000 0.553 396 c N 7.828 126.407 118.600 -0.034 0.000 2.289 396 c HA 0.293 4.863 4.570 0.001 0.000 0.340 396 c C 1.103 175.172 174.090 -0.035 0.000 1.152 396 c CA -0.611 55.702 56.329 -0.027 0.000 1.650 396 c CB -1.302 41.199 42.510 -0.016 0.000 2.203 396 c HN 0.858 nan 8.230 nan 0.000 0.511 397 T N 4.931 119.460 114.554 -0.041 0.000 2.913 397 T HA 0.352 4.703 4.350 0.001 0.000 0.297 397 T C -2.554 172.118 174.700 -0.048 0.000 1.029 397 T CA -1.324 60.745 62.100 -0.051 0.000 1.104 397 T CB 0.690 69.524 68.868 -0.056 0.000 0.964 397 T HN 0.562 nan 8.240 nan 0.000 0.532 398 P HA 0.213 nan 4.420 nan 0.000 0.256 398 P C 0.003 177.277 177.300 -0.044 0.000 1.173 398 P CA 0.101 63.166 63.100 -0.058 0.000 0.768 398 P CB -0.229 31.418 31.700 -0.088 0.000 0.758 410 c N -0.222 118.370 118.600 -0.014 0.000 2.561 410 c HA 0.919 5.490 4.570 0.001 0.000 0.319 410 c C 1.225 175.303 174.090 -0.020 0.000 1.198 410 c CA 0.154 56.473 56.329 -0.018 0.000 1.665 410 c CB 0.961 43.460 42.510 -0.018 0.000 2.258 410 c HN 1.183 nan 8.230 nan 0.000 0.493 411 G N 1.658 110.443 108.800 -0.025 0.000 2.508 411 G HA2 0.575 4.535 3.960 0.001 0.000 0.278 411 G HA3 0.575 4.535 3.960 0.001 0.000 0.278 411 G C -2.772 172.112 174.900 -0.027 0.000 1.389 411 G CA -0.625 44.459 45.100 -0.026 0.000 1.050 411 G HN 0.562 nan 8.290 nan 0.000 0.522 412 P HA 0.334 nan 4.420 nan 0.000 0.269 412 P C -0.038 177.242 177.300 -0.033 0.000 1.209 412 P CA -0.066 63.016 63.100 -0.029 0.000 0.776 412 P CB 0.658 32.339 31.700 -0.032 0.000 0.876 413 A N 2.897 125.699 122.820 -0.030 0.000 2.445 413 A HA 0.188 4.509 4.320 0.001 0.000 0.242 413 A C 0.157 177.721 177.584 -0.033 0.000 1.075 413 A CA -0.328 51.691 52.037 -0.030 0.000 0.777 413 A CB -0.196 18.791 19.000 -0.021 0.000 1.013 413 A HN 0.409 nan 8.150 nan 0.000 0.493 414 V N 1.909 121.802 119.914 -0.034 0.000 2.673 414 V HA 0.132 4.252 4.120 0.001 0.000 0.303 414 V C 1.239 177.330 176.094 -0.004 0.000 1.046 414 V CA 0.565 62.849 62.300 -0.027 0.000 1.126 414 V CB 0.967 32.769 31.823 -0.034 0.000 0.934 414 V HN 0.961 nan 8.190 nan 0.000 0.487 415 T N 3.131 117.689 114.554 0.007 0.000 2.817 415 T HA 0.268 4.619 4.350 0.001 0.000 0.293 415 T C 0.977 175.763 174.700 0.144 0.000 0.964 415 T CA 0.125 62.248 62.100 0.037 0.000 1.085 415 T CB 0.794 69.646 68.868 -0.026 0.000 0.921 415 T HN 1.027 nan 8.240 nan 0.000 0.502 416 T N 1.592 116.199 114.554 0.088 0.000 3.054 416 T HA 0.234 4.585 4.350 0.001 0.000 0.255 416 T C 0.508 175.223 174.700 0.025 0.000 1.035 416 T CA -0.250 61.881 62.100 0.052 0.000 0.941 416 T CB 0.046 68.936 68.868 0.036 0.000 1.026 416 T HN 0.363 nan 8.240 nan 0.000 0.533 417 V N 2.538 122.489 119.914 0.061 0.000 2.415 417 V HA 0.515 4.635 4.120 0.001 0.000 0.267 417 V C 1.581 177.700 176.094 0.043 0.000 1.042 417 V CA 0.807 63.120 62.300 0.022 0.000 1.000 417 V CB -0.323 31.504 31.823 0.007 0.000 1.015 417 V HN 0.827 nan 8.190 nan 0.000 0.478 418 G N 4.517 113.283 108.800 -0.057 0.000 2.143 418 G HA2 -0.227 3.733 3.960 0.001 0.000 0.249 418 G HA3 -0.227 3.733 3.960 0.001 0.000 0.249 418 G C -0.140 174.618 174.900 -0.238 0.000 0.981 418 G CA 0.146 45.171 45.100 -0.124 0.000 0.665 418 G HN 0.768 nan 8.290 nan 0.000 0.528 419 L N 1.215 122.211 121.223 -0.378 0.000 2.369 419 L HA 0.635 4.976 4.340 0.001 0.000 0.279 419 L C 1.230 177.671 176.870 -0.716 0.000 1.108 419 L CA 0.280 54.649 54.840 -0.785 0.000 0.852 419 L CB 1.449 43.051 42.059 -0.761 0.000 1.169 419 L HN 0.013 nan 8.230 nan 0.000 0.452 420 V N 4.273 123.818 119.914 -0.614 0.000 2.922 420 V HA 0.477 4.598 4.120 0.001 0.000 0.242 420 V C 0.959 176.883 176.094 -0.284 0.000 1.094 420 V CA 0.727 62.746 62.300 -0.468 0.000 1.106 420 V CB 0.281 31.893 31.823 -0.352 0.000 0.799 420 V HN 0.876 nan 8.190 nan 0.000 0.474 421 G N -1.030 107.681 108.800 -0.148 0.000 2.696 421 G HA2 0.611 4.572 3.960 0.001 0.000 0.295 421 G HA3 0.611 4.572 3.960 0.001 0.000 0.295 421 G C -1.905 173.277 174.900 0.470 0.000 1.398 421 G CA -0.387 44.900 45.100 0.311 0.000 0.920 421 G HN -0.005 nan 8.290 nan 0.000 0.492 422 F N 2.285 122.415 119.950 0.300 0.000 2.915 422 F HA 0.461 4.988 4.527 0.001 0.000 0.350 422 F C -1.198 174.482 175.800 -0.201 0.000 1.248 422 F CA -1.094 56.931 58.000 0.041 0.000 1.084 422 F CB 1.122 40.176 39.000 0.091 0.000 1.391 422 F HN 0.278 nan 8.300 nan 0.000 0.548 423 L N 6.095 127.025 121.223 -0.488 0.000 2.257 423 L HA 0.470 4.811 4.340 0.001 0.000 0.290 423 L C 0.127 176.552 176.870 -0.742 0.000 1.044 423 L CA -0.010 54.234 54.840 -0.993 0.000 0.810 423 L CB 1.352 42.231 42.059 -1.967 0.000 1.193 423 L HN 0.648 nan 8.230 nan 0.000 0.425 424 S N 0.216 115.595 115.700 -0.534 0.000 4.228 424 S HA 0.125 4.595 4.470 0.001 0.000 0.207 424 S C 1.034 175.665 174.600 0.052 0.000 1.152 424 S CA -0.082 57.936 58.200 -0.303 0.000 1.645 424 S CB 0.135 62.838 63.200 -0.830 0.000 1.307 424 S HN 0.801 nan 8.310 nan 0.000 0.761 425 H N 1.544 120.538 119.070 -0.128 0.000 2.357 425 H HA 0.378 4.935 4.556 0.001 0.000 0.301 425 H C 0.507 175.830 175.328 -0.009 0.000 1.082 425 H CA 1.748 57.775 56.048 -0.036 0.000 1.342 425 H CB -0.414 29.326 29.762 -0.036 0.000 1.389 425 H HN 0.260 nan 8.280 nan 0.000 0.511 426 S N 0.303 115.982 115.700 -0.036 0.000 2.549 426 S HA 0.508 4.979 4.470 0.001 0.000 0.283 426 S C -0.230 174.358 174.600 -0.020 0.000 1.320 426 S CA 0.105 58.277 58.200 -0.047 0.000 1.058 426 S CB 0.980 64.199 63.200 0.031 0.000 0.882 426 S HN 0.647 nan 8.310 nan 0.000 0.498 427 A N 2.139 124.913 122.820 -0.076 0.000 2.586 427 A HA 0.775 5.096 4.320 0.001 0.000 0.291 427 A C -0.192 177.351 177.584 -0.069 0.000 1.062 427 A CA -0.717 51.285 52.037 -0.058 0.000 0.666 427 A CB 0.928 19.814 19.000 -0.190 0.000 1.281 427 A HN 0.827 nan 8.150 nan 0.000 0.421 428 T N -1.786 112.744 114.554 -0.039 0.000 2.807 428 T HA 0.564 4.914 4.350 0.001 0.000 0.277 428 T C 0.869 175.541 174.700 -0.046 0.000 1.006 428 T CA -0.024 62.056 62.100 -0.032 0.000 1.006 428 T CB 1.246 70.116 68.868 0.003 0.000 1.274 428 T HN 0.690 nan 8.240 nan 0.000 0.569 429 K N 0.466 120.847 120.400 -0.032 0.000 2.209 429 K HA -0.032 4.288 4.320 0.001 0.000 0.204 429 K C 1.730 178.316 176.600 -0.023 0.000 1.048 429 K CA 2.333 58.597 56.287 -0.037 0.000 0.940 429 K CB -0.836 31.651 32.500 -0.023 0.000 0.729 429 K HN 0.855 nan 8.250 nan 0.000 0.451 430 T N -3.426 111.129 114.554 0.002 0.000 3.058 430 T HA 0.312 4.663 4.350 0.001 0.000 0.278 430 T C -0.171 174.562 174.700 0.055 0.000 0.974 430 T CA -0.699 61.417 62.100 0.027 0.000 0.893 430 T CB 0.241 69.128 68.868 0.032 0.000 1.138 430 T HN 0.043 nan 8.240 nan 0.000 0.529 431 E N 0.348 120.581 120.200 0.055 0.000 2.266 431 E HA 0.368 4.718 4.350 0.001 0.000 0.268 431 E C -1.820 174.866 176.600 0.143 0.000 0.879 431 E CA -0.900 55.563 56.400 0.106 0.000 0.762 431 E CB 1.823 31.584 29.700 0.102 0.000 1.199 431 E HN 0.212 nan 8.360 nan 0.000 0.422 432 W N 3.427 124.703 121.300 -0.041 0.000 2.314 432 W HA 0.244 4.904 4.660 0.001 0.000 0.310 432 W C -0.474 175.987 176.519 -0.098 0.000 1.075 432 W CA -0.999 56.286 57.345 -0.099 0.000 1.253 432 W CB 0.536 29.921 29.460 -0.126 0.000 1.238 432 W HN 0.514 nan 8.180 nan 0.000 0.440 433 E N 2.966 123.288 120.200 0.202 0.000 2.313 433 E HA -0.013 4.337 4.350 0.001 0.000 0.276 433 E C -0.537 176.055 176.600 -0.014 0.000 1.031 433 E CA -0.354 56.099 56.400 0.088 0.000 0.857 433 E CB 1.081 30.835 29.700 0.091 0.000 1.040 433 E HN 0.188 nan 8.360 nan 0.000 0.408 434 D N 1.867 122.315 120.400 0.080 0.000 2.371 434 D HA 0.073 4.713 4.640 0.001 0.000 0.256 434 D C 0.562 176.925 176.300 0.106 0.000 1.193 434 D CA -0.015 54.073 54.000 0.146 0.000 0.881 434 D CB 1.259 42.282 40.800 0.371 0.000 1.143 434 D HN 0.482 nan 8.370 nan 0.000 0.473 435 A N 3.874 126.656 122.820 -0.063 0.000 2.070 435 A HA -0.184 4.137 4.320 0.001 0.000 0.220 435 A C 1.419 179.010 177.584 0.013 0.000 1.159 435 A CA 1.041 52.948 52.037 -0.217 0.000 0.656 435 A CB -0.621 17.873 19.000 -0.843 0.000 0.800 435 A HN 0.743 nan 8.150 nan 0.000 0.453 436 Y N -1.374 119.106 120.300 0.299 0.000 2.490 436 Y HA 0.183 4.733 4.550 0.001 0.000 0.281 436 Y C 0.889 177.126 175.900 0.561 0.000 1.174 436 Y CA 0.426 58.797 58.100 0.452 0.000 1.295 436 Y CB 0.114 38.708 38.460 0.223 0.000 1.062 436 Y HN 0.345 nan 8.280 nan 0.000 0.522 437 R N -2.635 118.163 120.500 0.497 0.000 3.878 437 R HA -0.255 4.085 4.340 0.001 0.000 0.330 437 R C 0.500 177.146 176.300 0.577 0.000 1.186 437 R CA 0.701 57.068 56.100 0.444 0.000 0.885 437 R CB -2.645 27.840 30.300 0.309 0.000 1.377 437 R HN 0.424 nan 8.270 nan 0.000 0.523 438 C N -1.349 118.286 119.300 0.558 0.000 2.406 438 C HA 0.257 4.717 4.460 0.001 0.000 0.343 438 C C 0.852 176.040 174.990 0.330 0.000 1.397 438 C CA 0.237 59.567 59.018 0.520 0.000 2.069 438 C CB 0.726 28.778 27.740 0.520 0.000 2.374 438 C HN 0.247 nan 8.230 nan 0.000 0.545 439 V N 3.176 123.295 119.914 0.343 0.000 2.488 439 V HA 0.379 4.500 4.120 0.001 0.000 0.293 439 V C -1.257 175.122 176.094 0.474 0.000 1.027 439 V CA -0.464 62.005 62.300 0.281 0.000 0.862 439 V CB 1.260 33.095 31.823 0.021 0.000 1.008 439 V HN 0.368 nan 8.190 nan 0.000 0.428 440 N N 2.471 121.368 118.700 0.329 0.000 2.463 440 N HA 0.737 5.477 4.740 0.001 0.000 0.270 440 N C 0.013 175.689 175.510 0.275 0.000 1.205 440 N CA -0.239 52.967 53.050 0.260 0.000 0.974 440 N CB 1.897 40.493 38.487 0.181 0.000 1.197 440 N HN 0.840 nan 8.380 nan 0.000 0.504 441 A N 0.053 122.938 122.820 0.109 0.000 2.324 441 A HA 0.566 4.886 4.320 0.001 0.000 0.330 441 A C 0.122 177.814 177.584 0.180 0.000 1.165 441 A CA -0.645 51.472 52.037 0.134 0.000 0.813 441 A CB 0.302 19.246 19.000 -0.093 0.000 1.197 441 A HN 0.650 nan 8.150 nan 0.000 0.484 442 S N 0.864 116.669 115.700 0.175 0.000 2.610 442 S HA 0.743 5.214 4.470 0.001 0.000 0.273 442 S C 0.157 174.858 174.600 0.167 0.000 1.274 442 S CA 0.166 58.452 58.200 0.144 0.000 1.023 442 S CB 1.153 64.415 63.200 0.104 0.000 0.962 442 S HN 1.487 nan 8.310 nan 0.000 0.523 443 T N -2.249 112.393 114.554 0.148 0.000 2.901 443 T HA 0.846 5.197 4.350 0.001 0.000 0.293 443 T C -0.754 174.024 174.700 0.130 0.000 1.084 443 T CA -0.782 61.427 62.100 0.181 0.000 1.008 443 T CB 1.476 70.454 68.868 0.184 0.000 1.170 443 T HN 1.440 nan 8.240 nan 0.000 0.509 444 A N 1.482 124.399 122.820 0.162 0.000 2.486 444 A HA 0.751 5.071 4.320 0.001 0.000 0.300 444 A C -0.205 177.476 177.584 0.161 0.000 1.048 444 A CA -0.969 51.138 52.037 0.116 0.000 0.696 444 A CB 0.697 19.747 19.000 0.084 0.000 1.278 444 A HN 1.026 nan 8.150 nan 0.000 0.405 445 N N -1.177 117.578 118.700 0.092 0.000 2.740 445 N HA -0.161 4.579 4.740 0.001 0.000 0.248 445 N C -0.150 175.398 175.510 0.063 0.000 1.062 445 N CA 1.326 54.423 53.050 0.078 0.000 0.704 445 N CB -1.297 37.254 38.487 0.106 0.000 0.968 445 N HN 1.446 nan 8.380 nan 0.000 0.547 446 A N -0.053 122.745 122.820 -0.037 0.000 2.324 446 A HA 0.645 4.965 4.320 0.001 0.000 0.330 446 A C 0.174 177.588 177.584 -0.282 0.000 1.165 446 A CA -0.594 51.274 52.037 -0.281 0.000 0.813 446 A CB 1.474 20.229 19.000 -0.408 0.000 1.197 446 A HN 0.258 nan 8.150 nan 0.000 0.484 447 E N 2.143 122.127 120.200 -0.359 0.000 2.222 447 E HA 0.406 4.757 4.350 0.001 0.000 0.267 447 E C -0.664 175.733 176.600 -0.337 0.000 0.884 447 E CA -0.719 55.522 56.400 -0.266 0.000 0.764 447 E CB 1.069 30.656 29.700 -0.188 0.000 1.169 447 E HN 0.665 nan 8.360 nan 0.000 0.413 448 R N 1.753 122.085 120.500 -0.281 0.000 2.491 448 R HA 0.284 4.625 4.340 0.001 0.000 0.283 448 R C -0.025 176.146 176.300 -0.215 0.000 1.072 448 R CA -0.145 55.774 56.100 -0.301 0.000 1.048 448 R CB 0.991 31.129 30.300 -0.269 0.000 0.983 448 R HN 0.441 nan 8.270 nan 0.000 0.450 449 V N 0.215 120.007 119.914 -0.203 0.000 3.181 449 V HA 0.548 4.668 4.120 0.001 0.000 0.308 449 V C -2.737 173.362 176.094 0.009 0.000 1.214 449 V CA -3.089 59.160 62.300 -0.086 0.000 1.053 449 V CB 2.113 33.888 31.823 -0.080 0.000 1.069 449 V HN 0.537 nan 8.190 nan 0.000 0.441 450 P HA 0.266 nan 4.420 nan 0.000 0.262 450 P C -0.163 177.267 177.300 0.217 0.000 1.199 450 P CA 0.662 63.889 63.100 0.212 0.000 0.763 450 P CB -0.100 31.652 31.700 0.087 0.000 0.790 451 N N 1.454 120.402 118.700 0.413 0.000 2.741 451 N HA -0.164 4.576 4.740 0.001 0.000 0.250 451 N C 0.486 176.109 175.510 0.188 0.000 1.115 451 N CA 1.756 54.953 53.050 0.245 0.000 0.724 451 N CB -1.431 37.160 38.487 0.174 0.000 1.090 451 N HN 0.731 nan 8.380 nan 0.000 0.558 452 G N -1.488 107.354 108.800 0.070 0.000 2.336 452 G HA2 0.500 4.460 3.960 0.001 0.000 0.286 452 G HA3 0.500 4.460 3.960 0.001 0.000 0.286 452 G C -1.861 172.765 174.900 -0.457 0.000 1.269 452 G CA -0.739 44.335 45.100 -0.042 0.000 0.873 452 G HN 0.113 nan 8.290 nan 0.000 0.494 453 L N 0.104 120.914 121.223 -0.688 0.000 2.409 453 L HA 0.665 5.005 4.340 0.001 0.000 0.262 453 L C -0.408 175.997 176.870 -0.775 0.000 0.992 453 L CA -0.877 53.398 54.840 -0.941 0.000 0.817 453 L CB 2.669 43.773 42.059 -1.591 0.000 1.350 453 L HN 0.638 nan 8.230 nan 0.000 0.411 454 K N 1.992 122.000 120.400 -0.653 0.000 2.244 454 K HA 0.672 4.993 4.320 0.001 0.000 0.260 454 K C -1.688 174.660 176.600 -0.419 0.000 0.951 454 K CA -0.323 55.763 56.287 -0.335 0.000 0.826 454 K CB 1.192 33.604 32.500 -0.148 0.000 1.108 454 K HN 0.332 nan 8.250 nan 0.000 0.433 455 F N 1.822 121.765 119.950 -0.012 0.000 2.561 455 F HA 0.758 5.285 4.527 0.000 0.000 0.321 455 F C -0.081 175.736 175.800 0.027 0.000 1.065 455 F CA -0.753 57.241 58.000 -0.010 0.000 0.934 455 F CB 2.521 41.520 39.000 -0.000 0.000 1.215 455 F HN 0.622 nan 8.300 nan 0.000 0.471 456 A N 1.317 124.270 122.820 0.222 0.000 2.594 456 A HA 0.736 5.056 4.320 0.001 0.000 0.296 456 A C -0.491 177.156 177.584 0.105 0.000 1.061 456 A CA -0.227 51.894 52.037 0.139 0.000 0.689 456 A CB 1.137 20.191 19.000 0.090 0.000 1.280 456 A HN 1.839 nan 8.150 nan 0.000 0.406 457 G N -0.580 108.269 108.800 0.082 0.000 2.712 457 G HA2 0.304 4.264 3.960 0.001 0.000 0.686 457 G HA3 0.304 4.264 3.960 0.001 0.000 0.686 457 G C -0.289 174.643 174.900 0.054 0.000 1.321 457 G CA -0.506 44.630 45.100 0.060 0.000 0.813 457 G HN 1.900 nan 8.290 nan 0.000 0.599 458 V N 2.034 121.974 119.914 0.042 0.000 2.644 458 V HA 0.341 4.461 4.120 0.001 0.000 0.305 458 V C 2.051 178.171 176.094 0.043 0.000 1.053 458 V CA 2.514 64.837 62.300 0.039 0.000 1.186 458 V CB 0.501 32.343 31.823 0.031 0.000 0.895 458 V HN 2.850 nan 8.190 nan 0.000 0.490 459 G N 3.556 112.385 108.800 0.049 0.000 2.195 459 G HA2 -0.147 3.813 3.960 0.001 0.000 0.246 459 G HA3 -0.147 3.813 3.960 0.001 0.000 0.246 459 G C 0.541 175.474 174.900 0.055 0.000 0.984 459 G CA -0.043 45.087 45.100 0.050 0.000 0.633 459 G HN 1.383 nan 8.290 nan 0.000 0.525 460 G N -0.399 108.434 108.800 0.056 0.000 2.539 460 G HA2 0.791 4.751 3.960 0.001 0.000 0.258 460 G HA3 0.791 4.751 3.960 0.001 0.000 0.258 460 G C 0.661 175.536 174.900 -0.042 0.000 1.202 460 G CA 1.053 46.196 45.100 0.072 0.000 0.851 460 G HN 1.898 nan 8.290 nan 0.000 0.556 461 G N -1.349 107.369 108.800 -0.138 0.000 2.334 461 G HA2 0.538 4.499 3.960 0.001 0.000 0.315 461 G HA3 0.538 4.499 3.960 0.001 0.000 0.315 461 G C -0.707 174.036 174.900 -0.261 0.000 1.284 461 G CA -0.034 44.676 45.100 -0.650 0.000 0.985 461 G HN 1.970 nan 8.290 nan 0.000 0.504 462 A N -0.885 121.819 122.820 -0.193 0.000 2.386 462 A HA 0.898 5.218 4.320 0.001 0.000 0.311 462 A C -0.834 176.869 177.584 0.198 0.000 1.068 462 A CA -0.335 51.802 52.037 0.168 0.000 0.743 462 A CB 1.869 21.146 19.000 0.461 0.000 1.258 462 A HN 1.982 nan 8.150 nan 0.000 0.429 463 L N 1.714 123.067 121.223 0.216 0.000 2.376 463 L HA 0.618 4.959 4.340 0.001 0.000 0.275 463 L C -1.775 175.301 176.870 0.344 0.000 0.987 463 L CA -0.440 54.552 54.840 0.253 0.000 0.828 463 L CB 1.155 43.267 42.059 0.089 0.000 1.249 463 L HN 0.797 nan 8.230 nan 0.000 0.409 464 W N 8.785 130.232 121.300 0.246 0.000 2.282 464 W HA 0.459 5.120 4.660 0.001 0.000 0.322 464 W C -2.342 174.327 176.519 0.249 0.000 1.011 464 W CA -2.860 54.639 57.345 0.256 0.000 1.392 464 W CB 0.951 30.604 29.460 0.322 0.000 1.215 464 W HN 0.296 nan 8.180 nan 0.000 0.394 465 P HA 0.081 nan 4.420 nan 0.000 0.276 465 P C 0.076 177.365 177.300 -0.018 0.000 1.230 465 P CA 0.294 63.474 63.100 0.133 0.000 0.776 465 P CB 2.260 34.001 31.700 0.069 0.000 0.888 466 V N 2.591 122.454 119.914 -0.084 0.000 3.945 466 V HA -0.037 4.083 4.120 0.001 0.000 0.196 466 V C 2.449 178.451 176.094 -0.153 0.000 1.110 466 V CA 1.404 63.585 62.300 -0.199 0.000 1.411 466 V CB -1.240 30.340 31.823 -0.406 0.000 1.707 466 V HN 0.603 nan 8.190 nan 0.000 0.477 467 S N -0.264 115.355 115.700 -0.134 0.000 2.442 467 S HA -0.221 4.250 4.470 0.001 0.000 0.236 467 S C 1.650 176.216 174.600 -0.056 0.000 1.007 467 S CA 1.491 59.639 58.200 -0.087 0.000 0.965 467 S CB -0.539 62.617 63.200 -0.072 0.000 0.773 467 S HN 0.588 nan 8.310 nan 0.000 0.504 468 Q N 0.589 120.368 119.800 -0.036 0.000 2.500 468 Q HA -0.007 4.333 4.340 0.001 0.000 0.213 468 Q C 1.986 177.972 176.000 -0.023 0.000 0.974 468 Q CA 0.689 56.483 55.803 -0.015 0.000 0.918 468 Q CB -0.223 28.520 28.738 0.008 0.000 0.980 468 Q HN 0.751 nan 8.270 nan 0.000 0.505 469 Q N -0.670 119.098 119.800 -0.053 0.000 2.364 469 Q HA -0.073 4.268 4.340 0.001 0.000 0.207 469 Q C 1.103 177.094 176.000 -0.015 0.000 0.970 469 Q CA 0.570 56.343 55.803 -0.050 0.000 0.888 469 Q CB 0.110 28.777 28.738 -0.117 0.000 0.951 469 Q HN 0.487 nan 8.270 nan 0.000 0.469 470 G N 0.937 109.724 108.800 -0.021 0.000 2.552 470 G HA2 -0.477 3.483 3.960 0.001 0.000 0.267 470 G HA3 -0.477 3.483 3.960 0.001 0.000 0.267 470 G C 0.490 175.391 174.900 0.001 0.000 1.174 470 G CA 0.399 45.496 45.100 -0.005 0.000 0.955 470 G HN 0.369 nan 8.290 nan 0.000 0.546 471 Q N 0.714 120.539 119.800 0.042 0.000 2.061 471 Q HA -0.055 4.285 4.340 0.001 0.000 0.204 471 Q C 0.858 176.879 176.000 0.034 0.000 0.984 471 Q CA 1.915 57.757 55.803 0.064 0.000 0.846 471 Q CB -0.194 28.631 28.738 0.146 0.000 0.902 471 Q HN 0.655 nan 8.270 nan 0.000 0.421 472 N N 0.745 119.473 118.700 0.047 0.000 2.417 472 N HA 0.210 4.950 4.740 0.001 0.000 0.274 472 N C -1.620 173.794 175.510 -0.160 0.000 0.987 472 N CA -0.240 52.768 53.050 -0.070 0.000 0.912 472 N CB 1.612 40.143 38.487 0.074 0.000 1.177 472 N HN 0.095 nan 8.380 nan 0.000 0.490 473 Q N 1.947 121.582 119.800 -0.275 0.000 2.644 473 Q HA 0.216 4.557 4.340 0.001 0.000 0.245 473 Q C 0.258 176.084 176.000 -0.290 0.000 1.064 473 Q CA -0.291 55.369 55.803 -0.237 0.000 0.860 473 Q CB 0.940 29.580 28.738 -0.163 0.000 1.145 473 Q HN 0.494 nan 8.270 nan 0.000 0.515 474 R N 0.129 120.445 120.500 -0.306 0.000 2.237 474 R HA -0.071 4.270 4.340 0.001 0.000 0.219 474 R C 0.585 176.887 176.300 0.003 0.000 1.080 474 R CA 1.070 57.029 56.100 -0.235 0.000 0.995 474 R CB 0.162 30.352 30.300 -0.182 0.000 0.875 474 R HN 0.527 nan 8.270 nan 0.000 0.462 475 Y N -0.081 120.026 120.300 -0.320 0.000 2.708 475 Y HA 0.096 4.646 4.550 0.001 0.000 0.287 475 Y C 1.451 176.899 175.900 -0.753 0.000 1.145 475 Y CA -0.661 57.031 58.100 -0.681 0.000 1.249 475 Y CB 0.284 38.354 38.460 -0.650 0.000 1.152 475 Y HN 0.205 nan 8.280 nan 0.000 0.532 476 H N 0.812 119.684 119.070 -0.330 0.000 2.562 476 H HA -0.089 4.467 4.556 0.000 0.000 0.272 476 H C 1.123 176.377 175.328 -0.123 0.000 1.019 476 H CA 0.555 56.458 56.048 -0.242 0.000 1.160 476 H CB -0.166 29.499 29.762 -0.161 0.000 1.334 476 H HN 0.604 nan 8.280 nan 0.000 0.611 477 F N -1.390 118.561 119.950 0.001 0.000 2.473 477 F HA 0.304 4.831 4.527 0.001 0.000 0.294 477 F C 2.421 178.235 175.800 0.023 0.000 1.103 477 F CA 0.365 58.388 58.000 0.038 0.000 1.442 477 F CB -0.484 38.516 39.000 0.000 0.000 1.097 477 F HN 0.067 nan 8.300 nan 0.000 0.547 478 A N 1.342 123.917 122.820 -0.409 0.000 2.125 478 A HA -0.167 4.153 4.320 0.001 0.000 0.219 478 A C 1.804 179.337 177.584 -0.084 0.000 1.156 478 A CA 1.532 53.494 52.037 -0.125 0.000 0.671 478 A CB -0.956 17.737 19.000 -0.511 0.000 0.794 478 A HN 0.516 nan 8.150 nan 0.000 0.459 479 N N -0.676 117.822 118.700 -0.337 0.000 2.550 479 N HA -0.079 4.662 4.740 0.001 0.000 0.186 479 N C 0.940 176.157 175.510 -0.488 0.000 1.110 479 N CA 0.962 53.742 53.050 -0.450 0.000 0.912 479 N CB -0.195 37.866 38.487 -0.711 0.000 0.968 479 N HN 0.701 nan 8.380 nan 0.000 0.448 480 H N -0.689 118.370 119.070 -0.017 0.000 2.501 480 H HA 0.452 5.008 4.556 0.001 0.000 0.281 480 H C 0.350 175.727 175.328 0.081 0.000 0.988 480 H CA 0.345 56.414 56.048 0.035 0.000 1.232 480 H CB 1.086 30.869 29.762 0.036 0.000 1.455 480 H HN 0.049 nan 8.280 nan 0.000 0.501 481 A N 0.861 123.850 122.820 0.281 0.000 2.555 481 A HA 0.505 4.825 4.320 0.001 0.000 0.297 481 A C -1.598 176.206 177.584 0.367 0.000 1.060 481 A CA -0.614 51.544 52.037 0.201 0.000 0.710 481 A CB 1.093 20.158 19.000 0.108 0.000 1.282 481 A HN 0.240 nan 8.150 nan 0.000 0.399 482 F N -0.928 119.092 119.950 0.117 0.000 2.741 482 F HA 0.896 5.424 4.527 0.001 0.000 0.313 482 F C -0.741 175.091 175.800 0.055 0.000 1.153 482 F CA -0.703 57.377 58.000 0.133 0.000 0.931 482 F CB 1.470 40.588 39.000 0.197 0.000 1.335 482 F HN 0.403 nan 8.300 nan 0.000 0.460 483 T N 2.895 117.566 114.554 0.195 0.000 2.879 483 T HA 0.616 4.966 4.350 0.001 0.000 0.290 483 T C -1.838 173.003 174.700 0.235 0.000 0.993 483 T CA -0.369 61.768 62.100 0.062 0.000 0.975 483 T CB 1.535 70.380 68.868 -0.038 0.000 0.981 483 T HN 0.798 nan 8.240 nan 0.000 0.439 484 L N 4.755 126.092 121.223 0.190 0.000 2.356 484 L HA 0.859 5.199 4.340 0.001 0.000 0.277 484 L C -1.268 175.604 176.870 0.004 0.000 0.996 484 L CA -0.485 54.388 54.840 0.056 0.000 0.822 484 L CB 1.488 43.511 42.059 -0.061 0.000 1.256 484 L HN 0.480 nan 8.230 nan 0.000 0.413 485 V N 3.835 123.750 119.914 0.001 0.000 2.823 485 V HA 1.029 5.149 4.120 0.001 0.000 0.312 485 V C -0.302 175.764 176.094 -0.047 0.000 1.072 485 V CA -0.107 62.161 62.300 -0.053 0.000 0.937 485 V CB 1.473 33.310 31.823 0.024 0.000 1.013 485 V HN 1.046 nan 8.190 nan 0.000 0.430 486 A N 2.099 124.854 122.820 -0.110 0.000 2.608 486 A HA 0.807 5.127 4.320 0.001 0.000 0.292 486 A C -0.872 176.717 177.584 0.007 0.000 1.066 486 A CA -0.540 51.492 52.037 -0.008 0.000 0.676 486 A CB 1.798 20.806 19.000 0.013 0.000 1.277 486 A HN 0.641 nan 8.150 nan 0.000 0.413 487 S N 0.299 116.073 115.700 0.124 0.000 2.442 487 S HA 0.637 5.107 4.470 0.001 0.000 0.297 487 S C -0.160 174.531 174.600 0.150 0.000 1.131 487 S CA -0.242 58.061 58.200 0.172 0.000 1.092 487 S CB 1.007 64.331 63.200 0.207 0.000 0.998 487 S HN 1.784 nan 8.310 nan 0.000 0.478 488 V N 1.277 121.280 119.914 0.148 0.000 2.823 488 V HA 0.889 5.009 4.120 0.001 0.000 0.312 488 V C -0.578 175.585 176.094 0.115 0.000 1.072 488 V CA -0.516 61.851 62.300 0.112 0.000 0.937 488 V CB 1.979 33.842 31.823 0.067 0.000 1.013 488 V HN 0.665 nan 8.190 nan 0.000 0.430 489 T N 5.383 119.936 114.554 -0.002 0.000 2.881 489 T HA 0.615 4.966 4.350 0.001 0.000 0.291 489 T C -0.409 174.049 174.700 -0.404 0.000 0.990 489 T CA -0.085 61.958 62.100 -0.096 0.000 0.976 489 T CB 1.095 69.934 68.868 -0.049 0.000 0.970 489 T HN 0.690 nan 8.240 nan 0.000 0.438 490 I N 3.750 124.091 120.570 -0.382 0.000 2.325 490 I HA 0.248 4.418 4.170 0.001 0.000 0.291 490 I C 1.133 177.040 176.117 -0.349 0.000 1.019 490 I CA -0.628 60.346 61.300 -0.544 0.000 1.302 490 I CB 0.914 38.401 38.000 -0.854 0.000 1.401 490 I HN 0.753 nan 8.210 nan 0.000 0.485 491 H N 4.515 123.582 119.070 -0.005 0.000 2.582 491 H HA 0.295 4.851 4.556 0.001 0.000 0.269 491 H C -0.172 175.216 175.328 0.100 0.000 0.962 491 H CA 0.422 56.507 56.048 0.061 0.000 1.230 491 H CB 0.508 30.299 29.762 0.049 0.000 1.445 491 H HN 0.571 nan 8.280 nan 0.000 0.528 492 E N 0.732 121.047 120.200 0.190 0.000 2.331 492 E HA 0.340 4.691 4.350 0.001 0.000 0.275 492 E C -0.829 175.922 176.600 0.251 0.000 0.895 492 E CA -0.745 55.779 56.400 0.206 0.000 0.753 492 E CB 3.419 33.221 29.700 0.171 0.000 1.216 492 E HN -0.195 nan 8.360 nan 0.000 0.434 493 V N 3.406 123.486 119.914 0.276 0.000 2.572 493 V HA 0.136 4.256 4.120 0.001 0.000 0.291 493 V C -1.638 174.587 176.094 0.218 0.000 1.039 493 V CA -0.883 61.608 62.300 0.319 0.000 1.055 493 V CB -0.158 31.783 31.823 0.197 0.000 0.969 493 V HN 0.611 nan 8.190 nan 0.000 0.482 494 P HA 0.258 nan 4.420 nan 0.000 0.279 494 P C 0.324 177.644 177.300 0.033 0.000 1.276 494 P CA -0.766 62.371 63.100 0.062 0.000 0.801 494 P CB 1.249 32.881 31.700 -0.113 0.000 1.127 495 K N -0.450 119.953 120.400 0.005 0.000 2.228 495 K HA 0.148 4.468 4.320 0.001 0.000 0.202 495 K C 0.652 177.247 176.600 -0.009 0.000 1.051 495 K CA 0.923 57.214 56.287 0.007 0.000 0.960 495 K CB -0.268 32.236 32.500 0.006 0.000 0.743 495 K HN 0.658 nan 8.250 nan 0.000 0.458 496 G N -0.442 108.333 108.800 -0.041 0.000 2.608 496 G HA2 0.513 4.474 3.960 0.001 0.000 0.291 496 G HA3 0.513 4.474 3.960 0.001 0.000 0.291 496 G C -1.557 173.274 174.900 -0.115 0.000 1.425 496 G CA -0.592 44.479 45.100 -0.050 0.000 0.787 496 G HN 0.230 nan 8.290 nan 0.000 0.484 497 A N 0.006 122.764 122.820 -0.104 0.000 2.598 497 A HA 0.493 4.814 4.320 0.001 0.000 0.239 497 A C 0.664 178.088 177.584 -0.266 0.000 1.032 497 A CA 1.123 53.056 52.037 -0.174 0.000 0.760 497 A CB -0.261 18.692 19.000 -0.078 0.000 0.946 497 A HN 1.326 nan 8.150 nan 0.000 0.512 498 S N 3.587 118.974 115.700 -0.521 0.000 2.570 498 S HA 0.760 5.231 4.470 0.001 0.000 0.286 498 S C -2.850 171.488 174.600 -0.436 0.000 1.099 498 S CA -0.988 56.909 58.200 -0.506 0.000 0.913 498 S CB 2.152 64.996 63.200 -0.594 0.000 1.085 498 S HN 0.701 nan 8.310 nan 0.000 0.480 499 P HA 0.422 nan 4.420 nan 0.000 0.281 499 P C -0.246 177.090 177.300 0.060 0.000 1.249 499 P CA -0.481 62.520 63.100 -0.167 0.000 0.810 499 P CB 1.151 32.482 31.700 -0.616 0.000 1.008 500 L N 0.564 121.890 121.223 0.173 0.000 2.663 500 L HA 0.366 4.707 4.340 0.001 0.000 0.218 500 L C 0.188 177.103 176.870 0.075 0.000 1.043 500 L CA 0.267 55.185 54.840 0.130 0.000 0.876 500 L CB 0.417 42.540 42.059 0.107 0.000 1.263 500 L HN 0.247 nan 8.230 nan 0.000 0.486 501 L N -0.699 120.545 121.223 0.035 0.000 2.643 501 L HA 0.721 5.061 4.340 0.001 0.000 0.257 501 L C -1.004 175.602 176.870 -0.440 0.000 0.922 501 L CA 0.070 54.794 54.840 -0.193 0.000 0.909 501 L CB 1.900 43.894 42.059 -0.108 0.000 1.424 501 L HN 0.011 nan 8.230 nan 0.000 0.422 502 G N 2.185 110.430 108.800 -0.925 0.000 2.349 502 G HA2 0.695 4.655 3.960 0.001 0.000 0.294 502 G HA3 0.695 4.655 3.960 0.001 0.000 0.294 502 G C -2.057 172.583 174.900 -0.432 0.000 1.380 502 G CA -0.146 44.541 45.100 -0.688 0.000 0.811 502 G HN 0.958 nan 8.290 nan 0.000 0.519 503 A N 0.079 122.859 122.820 -0.066 0.000 2.258 503 A HA 0.791 5.112 4.320 0.001 0.000 0.316 503 A C 0.234 177.769 177.584 -0.082 0.000 1.279 503 A CA 0.083 52.052 52.037 -0.114 0.000 0.876 503 A CB 1.095 20.044 19.000 -0.086 0.000 1.170 503 A HN 1.571 nan 8.150 nan 0.000 0.520 504 S N 1.983 117.555 115.700 -0.213 0.000 2.541 504 S HA 0.522 4.992 4.470 0.001 0.000 0.283 504 S C 0.785 175.224 174.600 -0.268 0.000 1.196 504 S CA -0.646 57.432 58.200 -0.204 0.000 1.062 504 S CB 0.475 63.419 63.200 -0.427 0.000 1.009 504 S HN 0.590 nan 8.310 nan 0.000 0.502 505 L N 2.458 123.590 121.223 -0.150 0.000 2.477 505 L HA 0.257 4.597 4.340 0.001 0.000 0.220 505 L C 0.286 177.099 176.870 -0.095 0.000 1.106 505 L CA 0.065 54.829 54.840 -0.126 0.000 0.851 505 L CB -0.161 41.848 42.059 -0.082 0.000 0.994 505 L HN 0.673 nan 8.230 nan 0.000 0.462 506 D N -2.746 117.607 120.400 -0.078 0.000 2.687 506 D HA 0.103 4.743 4.640 0.001 0.000 0.264 506 D C 0.920 177.249 176.300 0.049 0.000 1.091 506 D CA -0.027 53.955 54.000 -0.030 0.000 1.123 506 D CB 0.759 41.534 40.800 -0.041 0.000 1.407 506 D HN -0.153 nan 8.370 nan 0.000 0.591 507 S N -0.866 114.867 115.700 0.055 0.000 2.428 507 S HA -0.130 4.341 4.470 0.001 0.000 0.230 507 S C 1.692 176.341 174.600 0.082 0.000 1.014 507 S CA 1.394 59.653 58.200 0.098 0.000 0.957 507 S CB -0.772 62.436 63.200 0.012 0.000 0.784 507 S HN 0.564 nan 8.310 nan 0.000 0.499 508 S N 0.345 116.038 115.700 -0.013 0.000 2.421 508 S HA 0.455 4.925 4.470 0.001 0.000 0.224 508 S C 1.734 176.184 174.600 -0.249 0.000 1.035 508 S CA 0.769 58.892 58.200 -0.128 0.000 0.953 508 S CB -0.551 62.540 63.200 -0.182 0.000 0.810 508 S HN 1.554 nan 8.310 nan 0.000 0.497 509 G N -0.017 108.662 108.800 -0.201 0.000 2.184 509 G HA2 -0.109 3.851 3.960 0.001 0.000 0.206 509 G HA3 -0.109 3.851 3.960 0.001 0.000 0.206 509 G C 0.888 175.561 174.900 -0.377 0.000 0.995 509 G CA 0.128 45.034 45.100 -0.323 0.000 0.651 509 G HN 0.947 nan 8.290 nan 0.000 0.511 510 G N -0.085 108.532 108.800 -0.305 0.000 2.421 510 G HA2 0.151 4.112 3.960 0.001 0.000 0.217 510 G HA3 0.151 4.112 3.960 0.001 0.000 0.217 510 G C 0.759 175.598 174.900 -0.103 0.000 1.143 510 G CA 1.168 46.140 45.100 -0.213 0.000 0.784 510 G HN 0.544 nan 8.290 nan 0.000 0.541 511 K N 1.074 121.424 120.400 -0.083 0.000 2.281 511 K HA 0.370 4.690 4.320 0.001 0.000 0.272 511 K C -0.689 175.895 176.600 -0.026 0.000 1.048 511 K CA -0.380 55.881 56.287 -0.044 0.000 0.898 511 K CB 0.479 32.952 32.500 -0.045 0.000 1.128 511 K HN 0.039 nan 8.250 nan 0.000 0.460 512 K N 3.792 124.199 120.400 0.012 0.000 2.207 512 K HA 0.182 4.503 4.320 0.001 0.000 0.255 512 K C 0.561 177.184 176.600 0.039 0.000 0.941 512 K CA -0.726 55.594 56.287 0.055 0.000 0.825 512 K CB 1.789 34.366 32.500 0.127 0.000 1.119 512 K HN 0.313 nan 8.250 nan 0.000 0.430 513 L N 2.457 123.701 121.223 0.035 0.000 2.102 513 L HA 0.254 4.595 4.340 0.001 0.000 0.202 513 L C -0.308 176.606 176.870 0.073 0.000 1.076 513 L CA 1.441 56.307 54.840 0.043 0.000 0.761 513 L CB 0.169 42.249 42.059 0.034 0.000 0.921 513 L HN 0.607 nan 8.230 nan 0.000 0.444 514 L N -0.799 120.478 121.223 0.089 0.000 2.545 514 L HA 0.750 5.091 4.340 0.001 0.000 0.258 514 L C -0.661 176.233 176.870 0.041 0.000 0.942 514 L CA 0.508 55.376 54.840 0.047 0.000 0.855 514 L CB 1.637 43.753 42.059 0.094 0.000 1.374 514 L HN 0.195 nan 8.230 nan 0.000 0.411 515 G N 2.526 111.298 108.800 -0.047 0.000 2.488 515 G HA2 0.575 4.535 3.960 0.001 0.000 0.301 515 G HA3 0.575 4.535 3.960 0.001 0.000 0.301 515 G C -2.681 172.179 174.900 -0.067 0.000 1.339 515 G CA -0.493 44.601 45.100 -0.010 0.000 0.803 515 G HN 0.863 nan 8.290 nan 0.000 0.482 516 L N 0.177 121.399 121.223 -0.002 0.000 2.470 516 L HA 0.848 5.188 4.340 0.001 0.000 0.268 516 L C -0.314 176.622 176.870 0.109 0.000 0.964 516 L CA -0.170 54.671 54.840 0.000 0.000 0.839 516 L CB 2.041 44.045 42.059 -0.091 0.000 1.276 516 L HN 0.659 nan 8.230 nan 0.000 0.403 517 S N 2.280 118.063 115.700 0.140 0.000 2.709 517 S HA 0.836 5.306 4.470 0.001 0.000 0.302 517 S C -1.653 173.098 174.600 0.252 0.000 1.127 517 S CA -0.354 57.930 58.200 0.139 0.000 0.905 517 S CB 1.738 64.952 63.200 0.024 0.000 1.151 517 S HN 0.580 nan 8.310 nan 0.000 0.510 518 Y N -0.302 119.996 120.300 -0.003 0.000 2.562 518 Y HA 0.796 5.346 4.550 0.000 0.000 0.345 518 Y C -1.083 174.824 175.900 0.011 0.000 1.045 518 Y CA -1.225 56.836 58.100 -0.066 0.000 1.028 518 Y CB 0.881 38.999 38.460 -0.570 0.000 1.297 518 Y HN 0.666 nan 8.280 nan 0.000 0.463 519 D N 0.227 120.765 120.400 0.229 0.000 2.585 519 D HA 0.248 4.889 4.640 0.001 0.000 0.254 519 D C 0.281 176.700 176.300 0.198 0.000 1.067 519 D CA -1.026 53.039 54.000 0.108 0.000 1.090 519 D CB 1.440 42.283 40.800 0.072 0.000 1.408 519 D HN 0.716 nan 8.370 nan 0.000 0.554 520 K N -0.534 119.910 120.400 0.074 0.000 2.362 520 K HA -0.028 4.292 4.320 0.001 0.000 0.200 520 K C 0.912 177.511 176.600 -0.001 0.000 1.046 520 K CA 0.666 56.982 56.287 0.048 0.000 0.952 520 K CB -0.087 32.431 32.500 0.031 0.000 0.753 520 K HN 0.228 nan 8.250 nan 0.000 0.466 521 R N 0.502 120.999 120.500 -0.004 0.000 2.480 521 R HA 0.140 4.480 4.340 0.001 0.000 0.277 521 R C -0.485 175.756 176.300 -0.098 0.000 1.008 521 R CA -0.144 55.944 56.100 -0.020 0.000 1.090 521 R CB -0.219 30.078 30.300 -0.006 0.000 1.234 521 R HN 0.333 nan 8.270 nan 0.000 0.549 522 H N -0.287 118.537 119.070 -0.409 0.000 2.899 522 H HA -0.179 4.378 4.556 0.001 0.000 0.282 522 H C -0.458 174.386 175.328 -0.807 0.000 1.198 522 H CA 0.889 56.239 56.048 -1.164 0.000 1.140 522 H CB -1.003 28.132 29.762 -1.045 0.000 1.317 522 H HN 0.458 nan 8.280 nan 0.000 0.375 523 Q N -0.697 119.029 119.800 -0.124 0.000 2.241 523 Q HA 0.300 4.641 4.340 0.001 0.000 0.262 523 Q C 0.097 176.237 176.000 0.234 0.000 1.014 523 Q CA -0.716 55.096 55.803 0.016 0.000 0.885 523 Q CB 1.430 30.207 28.738 0.064 0.000 1.311 523 Q HN 0.180 nan 8.270 nan 0.000 0.461 524 W N 0.845 122.322 121.300 0.295 0.000 2.313 524 W HA 0.246 4.907 4.660 0.000 0.000 0.328 524 W C 0.253 176.838 176.519 0.111 0.000 1.197 524 W CA -0.383 57.067 57.345 0.175 0.000 1.235 524 W CB 0.855 30.364 29.460 0.082 0.000 1.158 524 W HN 0.313 nan 8.180 nan 0.000 0.578 525 Q N 3.599 123.607 119.800 0.347 0.000 2.907 525 Q HA 0.201 4.541 4.340 0.001 0.000 0.262 525 Q C -2.292 173.770 176.000 0.104 0.000 0.997 525 Q CA -1.910 54.006 55.803 0.187 0.000 0.797 525 Q CB 1.177 29.990 28.738 0.126 0.000 1.228 525 Q HN -0.003 nan 8.270 nan 0.000 0.466 526 P HA 0.135 nan 4.420 nan 0.000 0.271 526 P C -0.470 176.692 177.300 -0.231 0.000 1.216 526 P CA 0.174 63.178 63.100 -0.159 0.000 0.776 526 P CB 1.003 32.596 31.700 -0.179 0.000 0.881 527 I N 3.657 124.014 120.570 -0.354 0.000 2.410 527 I HA 0.262 4.432 4.170 0.001 0.000 0.286 527 I C -0.466 175.459 176.117 -0.321 0.000 1.009 527 I CA -0.801 60.380 61.300 -0.199 0.000 1.111 527 I CB 1.015 38.995 38.000 -0.033 0.000 1.262 527 I HN 0.244 nan 8.210 nan 0.000 0.443 528 Y N 5.238 125.555 120.300 0.029 0.000 2.593 528 Y HA 0.534 5.084 4.550 0.001 0.000 0.331 528 Y C 1.237 177.148 175.900 0.018 0.000 0.986 528 Y CA -0.172 57.938 58.100 0.017 0.000 1.262 528 Y CB 1.046 39.505 38.460 -0.001 0.000 1.098 528 Y HN 0.886 nan 8.280 nan 0.000 0.506 529 G N 1.960 110.830 108.800 0.117 0.000 2.665 529 G HA2 -0.421 3.540 3.960 0.001 0.000 0.326 529 G HA3 -0.421 3.540 3.960 0.001 0.000 0.326 529 G C 1.242 176.180 174.900 0.063 0.000 1.231 529 G CA 1.036 46.182 45.100 0.077 0.000 0.992 529 G HN 0.928 nan 8.290 nan 0.000 0.549 530 S N -0.778 114.954 115.700 0.054 0.000 2.540 530 S HA 0.421 4.891 4.470 0.001 0.000 0.218 530 S C 0.911 175.540 174.600 0.049 0.000 0.977 530 S CA 1.158 59.382 58.200 0.040 0.000 0.918 530 S CB 0.240 63.454 63.200 0.022 0.000 0.806 530 S HN 0.928 nan 8.310 nan 0.000 0.496 531 T N 5.179 119.776 114.554 0.071 0.000 2.937 531 T HA 0.243 4.593 4.350 0.001 0.000 0.316 531 T C -2.508 172.238 174.700 0.076 0.000 1.079 531 T CA -0.292 61.850 62.100 0.071 0.000 1.131 531 T CB 0.128 69.053 68.868 0.094 0.000 1.000 531 T HN 0.244 nan 8.240 nan 0.000 0.549 532 P HA 0.220 nan 4.420 nan 0.000 0.271 532 P C -0.745 176.602 177.300 0.079 0.000 1.216 532 P CA -0.419 62.713 63.100 0.054 0.000 0.771 532 P CB 0.363 32.085 31.700 0.036 0.000 0.864 533 V N 3.806 123.768 119.914 0.079 0.000 2.530 533 V HA 0.159 4.279 4.120 0.001 0.000 0.282 533 V C 0.578 176.726 176.094 0.089 0.000 1.048 533 V CA 0.451 62.811 62.300 0.099 0.000 0.997 533 V CB 0.747 32.617 31.823 0.079 0.000 0.987 533 V HN 0.544 nan 8.190 nan 0.000 0.477 534 T N 7.398 122.019 114.554 0.111 0.000 2.842 534 T HA 0.379 4.729 4.350 0.001 0.000 0.308 534 T C -2.441 172.327 174.700 0.113 0.000 1.041 534 T CA -0.999 61.157 62.100 0.093 0.000 0.964 534 T CB 1.344 70.260 68.868 0.080 0.000 0.972 534 T HN 0.458 nan 8.240 nan 0.000 0.460 535 P HA 0.339 nan 4.420 nan 0.000 0.267 535 P C -0.126 177.249 177.300 0.126 0.000 1.200 535 P CA 0.024 63.198 63.100 0.123 0.000 0.772 535 P CB 0.614 32.371 31.700 0.095 0.000 0.855 536 T N 0.120 114.775 114.554 0.169 0.000 2.749 536 T HA 0.563 4.913 4.350 0.001 0.000 0.310 536 T C -0.087 174.743 174.700 0.217 0.000 1.496 536 T CA 0.460 62.656 62.100 0.161 0.000 1.006 536 T CB 0.584 69.543 68.868 0.152 0.000 1.457 536 T HN 0.726 nan 8.240 nan 0.000 0.497 537 G N 1.726 110.635 108.800 0.181 0.000 2.598 537 G HA2 0.024 3.984 3.960 0.001 0.000 0.269 537 G HA3 0.024 3.984 3.960 0.001 0.000 0.269 537 G C -0.089 174.881 174.900 0.117 0.000 1.289 537 G CA 0.305 45.534 45.100 0.215 0.000 0.926 537 G HN 1.479 nan 8.290 nan 0.000 0.567 538 S N -0.424 115.330 115.700 0.090 0.000 2.533 538 S HA 0.686 5.156 4.470 0.001 0.000 0.271 538 S C -0.966 173.532 174.600 -0.169 0.000 1.143 538 S CA 0.233 58.368 58.200 -0.109 0.000 0.891 538 S CB 0.849 64.026 63.200 -0.038 0.000 1.105 538 S HN 1.447 nan 8.310 nan 0.000 0.468 539 W N 2.549 123.599 121.300 -0.417 0.000 2.882 539 W HA 0.762 5.423 4.660 0.001 0.000 0.345 539 W C -1.054 175.505 176.519 0.067 0.000 1.125 539 W CA -0.806 56.306 57.345 -0.390 0.000 1.167 539 W CB 0.614 29.349 29.460 -1.209 0.000 1.431 539 W HN 0.473 nan 8.180 nan 0.000 0.543 540 E N 2.812 123.345 120.200 0.554 0.000 2.238 540 E HA 0.276 4.627 4.350 0.001 0.000 0.267 540 E C -0.316 176.635 176.600 0.585 0.000 0.887 540 E CA -1.305 55.334 56.400 0.397 0.000 0.769 540 E CB 3.158 32.995 29.700 0.229 0.000 1.187 540 E HN 0.543 nan 8.360 nan 0.000 0.416 541 M N 0.928 120.828 119.600 0.501 0.000 2.252 541 M HA 0.093 4.573 4.480 0.001 0.000 0.329 541 M C 1.035 177.493 176.300 0.264 0.000 1.101 541 M CA 1.986 57.540 55.300 0.423 0.000 1.117 541 M CB 0.064 32.875 32.600 0.351 0.000 1.563 541 M HN 0.862 nan 8.290 nan 0.000 0.445 542 G N 3.081 112.002 108.800 0.201 0.000 2.270 542 G HA2 -0.346 3.614 3.960 0.001 0.000 0.268 542 G HA3 -0.346 3.614 3.960 0.001 0.000 0.268 542 G C 0.165 175.129 174.900 0.107 0.000 0.982 542 G CA 1.004 46.198 45.100 0.158 0.000 0.628 542 G HN 0.791 nan 8.290 nan 0.000 0.544 543 K N 0.753 121.217 120.400 0.107 0.000 2.249 543 K HA 0.459 4.780 4.320 0.001 0.000 0.280 543 K C 0.622 177.153 176.600 -0.117 0.000 1.033 543 K CA -0.805 55.456 56.287 -0.044 0.000 0.946 543 K CB 0.397 32.801 32.500 -0.159 0.000 1.005 543 K HN 0.251 nan 8.250 nan 0.000 0.469 544 R N 4.158 124.585 120.500 -0.122 0.000 2.216 544 R HA 0.122 4.462 4.340 0.001 0.000 0.332 544 R C -1.310 174.936 176.300 -0.090 0.000 1.056 544 R CA -0.219 55.865 56.100 -0.026 0.000 0.901 544 R CB 0.300 30.623 30.300 0.037 0.000 1.039 544 R HN 0.553 nan 8.270 nan 0.000 0.456 545 Y N 2.342 122.758 120.300 0.194 0.000 2.387 545 Y HA 0.209 4.759 4.550 0.000 0.000 0.336 545 Y C 0.362 176.390 175.900 0.213 0.000 1.067 545 Y CA -0.620 57.618 58.100 0.231 0.000 1.114 545 Y CB 1.397 40.011 38.460 0.257 0.000 1.208 545 Y HN 0.486 nan 8.280 nan 0.000 0.458 546 H N 3.130 122.381 119.070 0.301 0.000 2.604 546 H HA 0.474 5.030 4.556 0.001 0.000 0.306 546 H C -1.373 174.011 175.328 0.092 0.000 1.075 546 H CA -0.333 55.846 56.048 0.219 0.000 1.357 546 H CB 0.733 30.710 29.762 0.357 0.000 1.426 546 H HN 0.446 nan 8.280 nan 0.000 0.470 547 V N 6.429 126.157 119.914 -0.310 0.000 2.495 547 V HA 0.275 4.395 4.120 0.001 0.000 0.298 547 V C -0.275 175.620 176.094 -0.332 0.000 1.031 547 V CA -0.741 61.389 62.300 -0.284 0.000 0.871 547 V CB 1.764 33.456 31.823 -0.218 0.000 0.988 547 V HN 0.492 nan 8.190 nan 0.000 0.432 548 V N 6.009 125.812 119.914 -0.186 0.000 2.577 548 V HA 0.507 4.628 4.120 0.001 0.000 0.303 548 V C -0.546 175.546 176.094 -0.004 0.000 1.042 548 V CA -0.488 61.742 62.300 -0.117 0.000 0.872 548 V CB 1.921 33.658 31.823 -0.143 0.000 0.998 548 V HN 0.669 nan 8.190 nan 0.000 0.423 549 L N 4.735 125.949 121.223 -0.016 0.000 2.313 549 L HA 0.772 5.113 4.340 0.001 0.000 0.283 549 L C 0.231 177.042 176.870 -0.098 0.000 1.013 549 L CA -0.341 54.496 54.840 -0.005 0.000 0.816 549 L CB 1.987 44.079 42.059 0.056 0.000 1.236 549 L HN 0.787 nan 8.230 nan 0.000 0.419 550 T N 0.817 115.295 114.554 -0.126 0.000 2.863 550 T HA 0.717 5.068 4.350 0.001 0.000 0.285 550 T C -0.507 173.975 174.700 -0.364 0.000 1.009 550 T CA -0.743 61.190 62.100 -0.278 0.000 0.989 550 T CB 2.424 71.232 68.868 -0.100 0.000 1.004 550 T HN 0.455 nan 8.240 nan 0.000 0.455 551 M N 2.433 121.687 119.600 -0.576 0.000 2.271 551 M HA 0.692 5.172 4.480 0.001 0.000 0.285 551 M C -1.866 174.296 176.300 -0.230 0.000 1.059 551 M CA -0.388 54.679 55.300 -0.388 0.000 0.940 551 M CB 1.483 33.786 32.600 -0.495 0.000 1.636 551 M HN 1.216 nan 8.290 nan 0.000 0.460 552 A N 4.078 126.836 122.820 -0.102 0.000 2.594 552 A HA 0.581 4.901 4.320 0.001 0.000 0.296 552 A C -0.057 177.518 177.584 -0.016 0.000 1.061 552 A CA -0.322 51.691 52.037 -0.039 0.000 0.689 552 A CB 1.002 19.978 19.000 -0.041 0.000 1.280 552 A HN 0.942 nan 8.150 nan 0.000 0.406 553 N N 0.599 119.304 118.700 0.010 0.000 2.721 553 N HA -0.201 4.539 4.740 0.001 0.000 0.249 553 N C 0.254 175.768 175.510 0.006 0.000 1.072 553 N CA 1.725 54.783 53.050 0.013 0.000 0.710 553 N CB -1.344 37.146 38.487 0.005 0.000 0.993 553 N HN 0.878 nan 8.380 nan 0.000 0.547 554 K N -2.602 117.802 120.400 0.006 0.000 3.274 554 K HA -0.220 4.100 4.320 0.001 0.000 0.300 554 K C -0.348 176.253 176.600 0.002 0.000 1.230 554 K CA 1.422 57.711 56.287 0.003 0.000 0.884 554 K CB -1.622 30.881 32.500 0.006 0.000 1.242 554 K HN 0.537 nan 8.250 nan 0.000 0.467 555 I N 0.504 121.070 120.570 -0.007 0.000 2.433 555 I HA 0.356 4.527 4.170 0.001 0.000 0.292 555 I C 0.696 176.811 176.117 -0.003 0.000 1.001 555 I CA -0.675 60.622 61.300 -0.004 0.000 1.119 555 I CB 1.980 39.971 38.000 -0.016 0.000 1.289 555 I HN 0.116 nan 8.210 nan 0.000 0.438 556 G N 3.329 112.158 108.800 0.049 0.000 2.400 556 G HA2 0.725 4.685 3.960 0.001 0.000 0.333 556 G HA3 0.725 4.685 3.960 0.001 0.000 0.333 556 G C -1.094 173.894 174.900 0.147 0.000 1.143 556 G CA -0.305 44.838 45.100 0.071 0.000 0.914 556 G HN 0.511 nan 8.290 nan 0.000 0.480 557 S N -1.078 114.672 115.700 0.083 0.000 2.569 557 S HA 0.683 5.153 4.470 0.001 0.000 0.280 557 S C -0.975 173.625 174.600 0.002 0.000 1.111 557 S CA -0.513 57.720 58.200 0.054 0.000 0.887 557 S CB 2.226 65.409 63.200 -0.028 0.000 1.095 557 S HN 0.549 nan 8.310 nan 0.000 0.476 558 V N 2.842 122.689 119.914 -0.111 0.000 2.525 558 V HA 0.503 4.624 4.120 0.001 0.000 0.299 558 V C -1.734 174.227 176.094 -0.221 0.000 1.034 558 V CA -0.568 61.659 62.300 -0.121 0.000 0.863 558 V CB 1.155 32.867 31.823 -0.183 0.000 0.999 558 V HN 0.853 nan 8.190 nan 0.000 0.423 559 Y N 4.613 124.825 120.300 -0.147 0.000 2.446 559 Y HA 0.697 5.248 4.550 0.000 0.000 0.338 559 Y C -0.005 175.764 175.900 -0.218 0.000 1.055 559 Y CA -1.334 56.677 58.100 -0.148 0.000 1.101 559 Y CB 1.785 40.183 38.460 -0.104 0.000 1.221 559 Y HN 0.307 nan 8.280 nan 0.000 0.460 560 I N 2.621 123.151 120.570 -0.067 0.000 2.478 560 I HA 0.183 4.354 4.170 0.001 0.000 0.287 560 I C -0.694 175.392 176.117 -0.052 0.000 1.042 560 I CA -0.929 60.292 61.300 -0.132 0.000 1.067 560 I CB 1.490 39.306 38.000 -0.307 0.000 1.233 560 I HN 0.728 nan 8.210 nan 0.000 0.431 561 D N 5.285 125.661 120.400 -0.041 0.000 2.708 561 D HA -0.178 4.462 4.640 0.001 0.000 0.236 561 D C 1.274 177.022 176.300 -0.921 0.000 1.146 561 D CA 1.688 55.383 54.000 -0.508 0.000 0.662 561 D CB -0.907 39.740 40.800 -0.254 0.000 1.059 561 D HN 1.151 nan 8.370 nan 0.000 0.428 562 G N -1.100 107.452 108.800 -0.413 0.000 2.179 562 G HA2 -0.318 3.643 3.960 0.001 0.000 0.260 562 G HA3 -0.318 3.643 3.960 0.001 0.000 0.260 562 G C -0.065 174.830 174.900 -0.008 0.000 0.977 562 G CA 0.482 45.431 45.100 -0.251 0.000 0.641 562 G HN 0.386 nan 8.290 nan 0.000 0.533 563 E N 0.821 121.032 120.200 0.018 0.000 2.199 563 E HA 0.455 4.806 4.350 0.001 0.000 0.265 563 E C -2.688 173.916 176.600 0.007 0.000 0.882 563 E CA -2.341 54.096 56.400 0.062 0.000 0.759 563 E CB 1.860 31.551 29.700 -0.014 0.000 1.148 563 E HN 0.061 nan 8.360 nan 0.000 0.412 564 P HA -0.011 nan 4.420 nan 0.000 0.261 564 P C 0.215 177.376 177.300 -0.232 0.000 1.183 564 P CA 0.264 63.087 63.100 -0.461 0.000 0.761 564 P CB 0.371 31.843 31.700 -0.379 0.000 0.785 565 L N 2.294 123.387 121.223 -0.216 0.000 2.483 565 L HA 0.018 4.359 4.340 0.001 0.000 0.275 565 L C 1.360 178.201 176.870 -0.050 0.000 1.220 565 L CA 0.115 54.906 54.840 -0.083 0.000 0.833 565 L CB 0.057 42.090 42.059 -0.044 0.000 1.102 565 L HN 0.427 nan 8.230 nan 0.000 0.490 566 E N 1.181 121.380 120.200 -0.001 0.000 2.417 566 E HA 0.115 4.465 4.350 0.001 0.000 0.261 566 E C 0.829 177.421 176.600 -0.014 0.000 1.000 566 E CA 0.853 57.247 56.400 -0.010 0.000 0.919 566 E CB 0.315 30.025 29.700 0.015 0.000 0.955 566 E HN 0.777 nan 8.360 nan 0.000 0.455 567 G N 3.054 111.812 108.800 -0.071 0.000 2.157 567 G HA2 -0.299 3.662 3.960 0.001 0.000 0.239 567 G HA3 -0.299 3.662 3.960 0.001 0.000 0.239 567 G C 0.241 174.966 174.900 -0.292 0.000 0.982 567 G CA 0.354 45.366 45.100 -0.147 0.000 0.650 567 G HN 0.684 nan 8.290 nan 0.000 0.527 568 S N -0.510 115.086 115.700 -0.173 0.000 2.614 568 S HA 0.580 5.050 4.470 0.001 0.000 0.265 568 S C 1.486 175.962 174.600 -0.208 0.000 1.303 568 S CA 1.352 59.462 58.200 -0.149 0.000 1.000 568 S CB 1.281 64.404 63.200 -0.128 0.000 0.935 568 S HN 2.268 nan 8.310 nan 0.000 0.551 569 G N 1.618 110.328 108.800 -0.149 0.000 2.140 569 G HA2 -0.143 3.818 3.960 0.001 0.000 0.211 569 G HA3 -0.143 3.818 3.960 0.001 0.000 0.211 569 G C -0.289 174.523 174.900 -0.147 0.000 1.013 569 G CA 0.192 45.221 45.100 -0.119 0.000 0.705 569 G HN 0.870 nan 8.290 nan 0.000 0.508 570 Q N -0.174 119.499 119.800 -0.212 0.000 2.195 570 Q HA 0.649 4.990 4.340 0.001 0.000 0.250 570 Q C -0.084 175.876 176.000 -0.067 0.000 0.988 570 Q CA -0.682 55.005 55.803 -0.193 0.000 0.911 570 Q CB 1.083 29.603 28.738 -0.364 0.000 1.258 570 Q HN 0.116 nan 8.270 nan 0.000 0.475 571 T N 1.151 115.677 114.554 -0.047 0.000 2.834 571 T HA 0.147 4.498 4.350 0.001 0.000 0.298 571 T C 0.828 175.544 174.700 0.026 0.000 0.966 571 T CA -0.154 61.941 62.100 -0.008 0.000 1.141 571 T CB 0.421 69.281 68.868 -0.013 0.000 0.905 571 T HN 0.548 nan 8.240 nan 0.000 0.535 572 V N 1.751 121.690 119.914 0.041 0.000 3.556 572 V HA 0.450 4.570 4.120 0.001 0.000 0.287 572 V C 0.135 176.248 176.094 0.031 0.000 1.422 572 V CA -0.170 62.166 62.300 0.060 0.000 1.038 572 V CB 0.282 32.159 31.823 0.090 0.000 0.850 572 V HN 0.490 nan 8.190 nan 0.000 0.437 573 V N 2.717 122.641 119.914 0.016 0.000 2.483 573 V HA 0.524 4.644 4.120 0.001 0.000 0.297 573 V C -2.660 173.434 176.094 0.001 0.000 1.027 573 V CA -1.788 60.513 62.300 0.002 0.000 0.855 573 V CB 1.956 33.774 31.823 -0.009 0.000 0.995 573 V HN 0.216 nan 8.190 nan 0.000 0.424 574 P HA 0.139 nan 4.420 nan 0.000 0.264 574 P C 0.075 177.375 177.300 0.001 0.000 1.193 574 P CA 0.041 63.141 63.100 -0.000 0.000 0.763 574 P CB 0.647 32.347 31.700 -0.001 0.000 0.810 575 D N 2.109 122.511 120.400 0.003 0.000 2.311 575 D HA -0.142 4.498 4.640 0.001 0.000 0.212 575 D C 2.060 178.367 176.300 0.011 0.000 0.972 575 D CA 1.708 55.712 54.000 0.008 0.000 0.887 575 D CB -0.252 40.553 40.800 0.008 0.000 0.915 575 D HN 0.567 nan 8.370 nan 0.000 0.497 576 E N 0.937 121.141 120.200 0.007 0.000 2.007 576 E HA -0.049 4.301 4.350 0.001 0.000 0.194 576 E C 1.712 178.319 176.600 0.011 0.000 0.999 576 E CA 1.663 58.069 56.400 0.010 0.000 0.811 576 E CB -0.979 28.725 29.700 0.006 0.000 0.762 576 E HN 0.462 nan 8.360 nan 0.000 0.450 577 R N -0.269 120.232 120.500 0.002 0.000 2.583 577 R HA 0.582 4.922 4.340 0.001 0.000 0.268 577 R C 0.320 176.610 176.300 -0.015 0.000 1.101 577 R CA 0.353 56.451 56.100 -0.004 0.000 1.180 577 R CB 0.066 30.359 30.300 -0.012 0.000 1.128 577 R HN 0.374 nan 8.270 nan 0.000 0.568 578 T N 2.533 117.070 114.554 -0.028 0.000 2.824 578 T HA 0.537 4.888 4.350 0.001 0.000 0.282 578 T C -2.308 172.332 174.700 -0.101 0.000 0.993 578 T CA -0.955 61.100 62.100 -0.075 0.000 0.967 578 T CB 1.668 70.512 68.868 -0.041 0.000 0.960 578 T HN 0.648 nan 8.240 nan 0.000 0.441 579 P HA 0.345 nan 4.420 nan 0.000 0.272 579 P C -0.716 176.482 177.300 -0.169 0.000 1.230 579 P CA -0.315 62.698 63.100 -0.145 0.000 0.788 579 P CB 0.478 32.084 31.700 -0.156 0.000 0.949 580 D N 1.185 121.502 120.400 -0.139 0.000 2.443 580 D HA 0.250 4.890 4.640 0.001 0.000 0.281 580 D C -0.383 175.818 176.300 -0.164 0.000 1.210 580 D CA -0.380 53.540 54.000 -0.133 0.000 0.875 580 D CB -0.438 40.318 40.800 -0.073 0.000 1.125 580 D HN 0.179 nan 8.370 nan 0.000 0.503 581 I N 1.620 122.044 120.570 -0.243 0.000 2.668 581 I HA -0.072 4.098 4.170 0.001 0.000 0.285 581 I C 1.811 177.761 176.117 -0.278 0.000 1.168 581 I CA 0.175 61.287 61.300 -0.312 0.000 1.424 581 I CB 1.183 38.894 38.000 -0.482 0.000 1.377 581 I HN 0.213 nan 8.210 nan 0.000 0.560 582 S N 6.130 121.688 115.700 -0.237 0.000 2.335 582 S HA -0.064 4.406 4.470 0.001 0.000 0.217 582 S C 0.415 174.998 174.600 -0.027 0.000 1.032 582 S CA 0.880 59.030 58.200 -0.083 0.000 0.985 582 S CB 0.042 63.279 63.200 0.061 0.000 0.896 582 S HN 0.813 nan 8.310 nan 0.000 0.445 583 H N -2.816 116.125 119.070 -0.215 0.000 2.932 583 H HA 0.360 4.916 4.556 0.001 0.000 0.307 583 H C -1.684 173.466 175.328 -0.297 0.000 1.391 583 H CA -1.005 54.926 56.048 -0.194 0.000 1.130 583 H CB -0.168 29.607 29.762 0.022 0.000 1.836 583 H HN 0.240 nan 8.280 nan 0.000 0.522 584 F N 1.145 121.173 119.950 0.130 0.000 2.399 584 F HA 0.377 4.904 4.527 0.000 0.000 0.334 584 F C -0.120 175.842 175.800 0.270 0.000 1.097 584 F CA -0.873 57.148 58.000 0.036 0.000 1.076 584 F CB 1.195 40.226 39.000 0.052 0.000 1.162 584 F HN 0.449 nan 8.300 nan 0.000 0.495 585 Y N -0.203 120.324 120.300 0.378 0.000 2.468 585 Y HA 0.848 5.398 4.550 0.000 0.000 0.342 585 Y C -1.406 174.603 175.900 0.180 0.000 1.021 585 Y CA -1.736 56.549 58.100 0.309 0.000 1.079 585 Y CB 1.064 39.713 38.460 0.314 0.000 1.226 585 Y HN 0.282 nan 8.280 nan 0.000 0.460 586 V N 2.130 122.163 119.914 0.199 0.000 2.668 586 V HA 0.614 4.734 4.120 0.001 0.000 0.304 586 V C 0.495 176.514 176.094 -0.125 0.000 1.071 586 V CA -0.552 61.790 62.300 0.071 0.000 0.894 586 V CB 1.082 32.991 31.823 0.143 0.000 1.008 586 V HN 1.374 nan 8.190 nan 0.000 0.425 587 G N 2.738 111.467 108.800 -0.117 0.000 2.153 587 G HA2 0.227 4.187 3.960 0.001 0.000 0.252 587 G HA3 0.227 4.187 3.960 0.001 0.000 0.252 587 G C 0.761 175.431 174.900 -0.384 0.000 0.994 587 G CA 0.441 45.347 45.100 -0.324 0.000 0.698 587 G HN 2.374 nan 8.290 nan 0.000 0.521 588 G N -2.457 106.213 108.800 -0.217 0.000 2.357 588 G HA2 0.349 4.309 3.960 0.001 0.000 0.289 588 G HA3 0.349 4.309 3.960 0.001 0.000 0.289 588 G C -0.021 174.772 174.900 -0.178 0.000 1.302 588 G CA 0.113 45.065 45.100 -0.247 0.000 0.936 588 G HN 0.515 nan 8.290 nan 0.000 0.513 589 Y N 0.245 120.503 120.300 -0.069 0.000 2.497 589 Y HA 0.328 4.878 4.550 0.000 0.000 0.265 589 Y C 1.958 177.847 175.900 -0.018 0.000 1.111 589 Y CA 0.428 58.480 58.100 -0.079 0.000 1.288 589 Y CB 0.459 38.831 38.460 -0.148 0.000 1.082 589 Y HN 0.416 nan 8.280 nan 0.000 0.536 590 K N 1.319 121.779 120.400 0.100 0.000 3.071 590 K HA -0.192 4.129 4.320 0.001 0.000 0.265 590 K C -1.259 175.376 176.600 0.058 0.000 1.060 590 K CA 0.458 56.784 56.287 0.064 0.000 0.767 590 K CB -0.740 31.795 32.500 0.059 0.000 1.241 590 K HN 0.220 nan 8.250 nan 0.000 0.486 591 R N 0.026 120.574 120.500 0.081 0.000 2.483 591 R HA 0.151 4.491 4.340 0.001 0.000 0.303 591 R C 1.281 177.602 176.300 0.035 0.000 0.987 591 R CA 0.206 56.326 56.100 0.033 0.000 0.881 591 R CB 1.579 31.871 30.300 -0.013 0.000 1.177 591 R HN 0.209 nan 8.270 nan 0.000 0.451 592 S N 1.151 116.862 115.700 0.018 0.000 2.423 592 S HA -0.092 4.378 4.470 0.001 0.000 0.231 592 S C 1.692 176.296 174.600 0.006 0.000 1.014 592 S CA 1.242 59.452 58.200 0.017 0.000 0.965 592 S CB 0.002 63.209 63.200 0.012 0.000 0.785 592 S HN 0.720 nan 8.310 nan 0.000 0.495 593 G N 1.244 110.038 108.800 -0.010 0.000 2.509 593 G HA2 0.128 4.089 3.960 0.001 0.000 0.218 593 G HA3 0.128 4.089 3.960 0.001 0.000 0.218 593 G C 0.586 175.468 174.900 -0.031 0.000 1.124 593 G CA 0.195 45.280 45.100 -0.024 0.000 0.776 593 G HN 0.404 nan 8.290 nan 0.000 0.547 594 M N 0.792 120.379 119.600 -0.021 0.000 2.188 594 M HA 0.245 4.725 4.480 0.001 0.000 0.357 594 M C -1.795 174.534 176.300 0.048 0.000 1.204 594 M CA -2.640 52.656 55.300 -0.006 0.000 1.095 594 M CB 1.496 34.099 32.600 0.004 0.000 1.604 594 M HN -0.139 nan 8.290 nan 0.000 0.464 595 P HA 0.022 nan 4.420 nan 0.000 0.245 595 P C 0.235 177.556 177.300 0.036 0.000 1.212 595 P CA 0.395 63.513 63.100 0.030 0.000 0.774 595 P CB -0.345 31.363 31.700 0.014 0.000 0.999 596 T N -2.168 112.423 114.554 0.061 0.000 2.899 596 T HA 0.273 4.623 4.350 0.001 0.000 0.295 596 T C -0.198 174.505 174.700 0.004 0.000 1.033 596 T CA -0.467 61.641 62.100 0.013 0.000 1.084 596 T CB 0.936 69.790 68.868 -0.024 0.000 0.979 596 T HN -0.159 nan 8.240 nan 0.000 0.532 597 D N 1.119 121.511 120.400 -0.013 0.000 2.375 597 D HA 0.255 4.895 4.640 0.001 0.000 0.259 597 D C -0.854 175.462 176.300 0.027 0.000 1.235 597 D CA -0.469 53.541 54.000 0.015 0.000 0.924 597 D CB 0.896 41.714 40.800 0.030 0.000 1.143 597 D HN 0.489 nan 8.370 nan 0.000 0.529 598 S N 3.366 119.083 115.700 0.028 0.000 2.439 598 S HA 0.355 4.826 4.470 0.001 0.000 0.282 598 S C 0.307 174.992 174.600 0.141 0.000 1.170 598 S CA -0.639 57.622 58.200 0.101 0.000 1.054 598 S CB 0.891 64.120 63.200 0.047 0.000 0.956 598 S HN 0.216 nan 8.310 nan 0.000 0.490 599 R N 3.048 123.651 120.500 0.172 0.000 2.346 599 R HA 0.406 4.746 4.340 0.001 0.000 0.309 599 R C -0.499 175.896 176.300 0.159 0.000 1.119 599 R CA -0.272 55.941 56.100 0.189 0.000 1.112 599 R CB 0.312 30.725 30.300 0.188 0.000 1.132 599 R HN 0.525 nan 8.270 nan 0.000 0.538 600 V N -1.583 118.442 119.914 0.186 0.000 3.087 600 V HA 0.583 4.703 4.120 0.001 0.000 0.306 600 V C -0.336 175.871 176.094 0.187 0.000 1.187 600 V CA -0.781 61.530 62.300 0.018 0.000 0.999 600 V CB 2.459 34.253 31.823 -0.048 0.000 1.049 600 V HN 0.353 nan 8.190 nan 0.000 0.431 601 T N 2.668 117.267 114.554 0.075 0.000 2.771 601 T HA 0.711 5.062 4.350 0.001 0.000 0.281 601 T C -0.498 174.291 174.700 0.147 0.000 0.982 601 T CA -0.310 61.888 62.100 0.163 0.000 0.978 601 T CB 1.348 70.356 68.868 0.233 0.000 0.930 601 T HN 0.829 nan 8.240 nan 0.000 0.447 602 V N 5.411 125.448 119.914 0.206 0.000 2.448 602 V HA 0.525 4.645 4.120 0.001 0.000 0.295 602 V C -0.265 176.019 176.094 0.315 0.000 1.025 602 V CA -1.063 61.412 62.300 0.292 0.000 0.859 602 V CB 1.665 33.769 31.823 0.468 0.000 0.988 602 V HN 0.800 nan 8.190 nan 0.000 0.431 603 N N 3.122 121.988 118.700 0.277 0.000 2.272 603 N HA 0.405 5.145 4.740 0.001 0.000 0.305 603 N C -0.446 175.221 175.510 0.263 0.000 1.103 603 N CA -0.750 52.470 53.050 0.282 0.000 0.791 603 N CB 1.741 40.347 38.487 0.199 0.000 1.356 603 N HN 0.804 nan 8.380 nan 0.000 0.486 604 N N -0.625 118.226 118.700 0.251 0.000 2.641 604 N HA -0.160 4.581 4.740 0.001 0.000 0.267 604 N C -1.094 174.555 175.510 0.232 0.000 1.087 604 N CA -0.018 53.198 53.050 0.277 0.000 0.731 604 N CB -0.727 37.963 38.487 0.340 0.000 0.886 604 N HN 0.213 nan 8.380 nan 0.000 0.547 605 V N 1.904 121.843 119.914 0.043 0.000 2.432 605 V HA 0.362 4.482 4.120 0.001 0.000 0.271 605 V C 0.631 176.790 176.094 0.108 0.000 1.046 605 V CA -0.192 62.079 62.300 -0.049 0.000 0.945 605 V CB 0.957 32.547 31.823 -0.388 0.000 0.992 605 V HN 0.225 nan 8.190 nan 0.000 0.471 606 L N 5.814 127.108 121.223 0.117 0.000 2.346 606 L HA 0.677 5.017 4.340 0.001 0.000 0.274 606 L C -0.670 176.226 176.870 0.044 0.000 1.007 606 L CA -0.659 54.226 54.840 0.076 0.000 0.818 606 L CB 1.892 43.938 42.059 -0.021 0.000 1.284 606 L HN 0.484 nan 8.230 nan 0.000 0.424 607 L N 2.772 123.953 121.223 -0.069 0.000 2.349 607 L HA 0.564 4.904 4.340 0.001 0.000 0.278 607 L C -1.420 175.272 176.870 -0.296 0.000 0.996 607 L CA 0.019 54.748 54.840 -0.185 0.000 0.825 607 L CB 1.002 42.781 42.059 -0.468 0.000 1.243 607 L HN 0.292 nan 8.230 nan 0.000 0.412 608 Y N 2.735 122.963 120.300 -0.120 0.000 2.446 608 Y HA 0.368 4.919 4.550 0.001 0.000 0.338 608 Y C 0.895 176.687 175.900 -0.181 0.000 1.055 608 Y CA -0.652 57.342 58.100 -0.177 0.000 1.101 608 Y CB 1.328 39.703 38.460 -0.141 0.000 1.221 608 Y HN 0.720 nan 8.280 nan 0.000 0.460 609 N N 1.955 120.480 118.700 -0.292 0.000 2.346 609 N HA 0.083 4.824 4.740 0.001 0.000 0.225 609 N C -0.548 174.855 175.510 -0.178 0.000 1.144 609 N CA -0.287 52.411 53.050 -0.587 0.000 0.837 609 N CB -0.043 37.669 38.487 -1.292 0.000 1.069 609 N HN 0.775 nan 8.380 nan 0.000 0.487 610 R N -2.402 118.077 120.500 -0.036 0.000 2.766 610 R HA 0.314 4.654 4.340 0.001 0.000 0.270 610 R C -1.273 174.995 176.300 -0.053 0.000 1.035 610 R CA -0.975 55.105 56.100 -0.034 0.000 0.911 610 R CB 0.634 30.895 30.300 -0.064 0.000 1.243 610 R HN 0.043 nan 8.270 nan 0.000 0.460 611 Q N 1.754 121.505 119.800 -0.081 0.000 2.307 611 Q HA 0.275 4.616 4.340 0.001 0.000 0.259 611 Q C -0.630 175.275 176.000 -0.157 0.000 0.998 611 Q CA -0.454 55.276 55.803 -0.122 0.000 0.923 611 Q CB 0.771 29.451 28.738 -0.098 0.000 1.196 611 Q HN 0.467 nan 8.270 nan 0.000 0.416 612 L N 3.594 124.679 121.223 -0.229 0.000 2.483 612 L HA 0.066 4.407 4.340 0.001 0.000 0.275 612 L C 0.688 177.431 176.870 -0.212 0.000 1.220 612 L CA -0.399 54.272 54.840 -0.281 0.000 0.833 612 L CB 0.020 41.838 42.059 -0.401 0.000 1.102 612 L HN 0.802 nan 8.230 nan 0.000 0.490 613 N N 1.461 120.052 118.700 -0.182 0.000 2.405 613 N HA 0.275 5.016 4.740 0.001 0.000 0.269 613 N C 0.541 175.959 175.510 -0.154 0.000 1.249 613 N CA -0.051 52.918 53.050 -0.135 0.000 0.974 613 N CB 0.678 39.108 38.487 -0.095 0.000 1.204 613 N HN 0.582 nan 8.380 nan 0.000 0.565 614 A N -0.317 122.439 122.820 -0.107 0.000 1.883 614 A HA -0.239 4.081 4.320 0.001 0.000 0.217 614 A C 1.993 179.523 177.584 -0.090 0.000 1.186 614 A CA 1.950 53.928 52.037 -0.097 0.000 0.624 614 A CB -1.276 17.703 19.000 -0.035 0.000 0.822 614 A HN 0.913 nan 8.150 nan 0.000 0.444 615 E N -0.172 119.986 120.200 -0.071 0.000 2.058 615 E HA -0.246 4.105 4.350 0.001 0.000 0.194 615 E C 1.923 178.477 176.600 -0.077 0.000 0.997 615 E CA 1.509 57.874 56.400 -0.059 0.000 0.801 615 E CB -0.179 29.492 29.700 -0.049 0.000 0.746 615 E HN 0.750 nan 8.360 nan 0.000 0.450 616 E N 0.228 120.361 120.200 -0.111 0.000 2.077 616 E HA -0.192 4.158 4.350 0.001 0.000 0.193 616 E C 2.221 178.734 176.600 -0.145 0.000 0.989 616 E CA 1.228 57.543 56.400 -0.142 0.000 0.800 616 E CB -0.105 29.473 29.700 -0.204 0.000 0.746 616 E HN 0.397 nan 8.360 nan 0.000 0.452 617 I N 0.685 121.151 120.570 -0.173 0.000 2.252 617 I HA -0.255 3.915 4.170 0.001 0.000 0.245 617 I C 2.676 178.762 176.117 -0.052 0.000 1.102 617 I CA 1.000 62.200 61.300 -0.168 0.000 1.385 617 I CB -0.090 37.696 38.000 -0.357 0.000 1.064 617 I HN 0.004 nan 8.210 nan 0.000 0.414 618 R N 0.478 120.955 120.500 -0.039 0.000 2.115 618 R HA -0.122 4.219 4.340 0.001 0.000 0.230 618 R C 2.067 178.398 176.300 0.051 0.000 1.111 618 R CA 1.837 57.970 56.100 0.056 0.000 0.976 618 R CB -0.379 29.947 30.300 0.044 0.000 0.870 618 R HN 0.164 nan 8.270 nan 0.000 0.445 619 T N 1.244 115.787 114.554 -0.019 0.000 2.737 619 T HA -0.062 4.288 4.350 0.001 0.000 0.265 619 T C 1.721 176.372 174.700 -0.081 0.000 1.038 619 T CA 1.456 63.525 62.100 -0.051 0.000 1.144 619 T CB -0.142 68.693 68.868 -0.054 0.000 0.866 619 T HN 0.145 nan 8.240 nan 0.000 0.434 620 L N 0.174 121.359 121.223 -0.063 0.000 2.012 620 L HA -0.068 4.272 4.340 0.001 0.000 0.210 620 L C 2.327 179.013 176.870 -0.307 0.000 1.073 620 L CA 1.439 56.242 54.840 -0.062 0.000 0.748 620 L CB -0.626 41.489 42.059 0.093 0.000 0.891 620 L HN 0.221 nan 8.230 nan 0.000 0.431 621 F N 0.926 120.502 119.950 -0.623 0.000 2.091 621 F HA -0.249 4.278 4.527 0.000 0.000 0.299 621 F C 2.112 177.687 175.800 -0.376 0.000 1.103 621 F CA 1.638 59.126 58.000 -0.853 0.000 1.228 621 F CB -0.376 38.372 39.000 -0.420 0.000 0.984 621 F HN -0.106 nan 8.300 nan 0.000 0.477 622 L N 0.028 120.924 121.223 -0.544 0.000 2.291 622 L HA -0.090 4.250 4.340 0.001 0.000 0.214 622 L C 1.861 178.525 176.870 -0.344 0.000 1.120 622 L CA 1.220 55.731 54.840 -0.548 0.000 0.799 622 L CB -0.705 41.189 42.059 -0.276 0.000 0.925 622 L HN 0.339 nan 8.230 nan 0.000 0.446 623 S N -2.468 113.086 115.700 -0.244 0.000 2.575 623 S HA 0.095 4.565 4.470 0.001 0.000 0.237 623 S C 1.310 175.853 174.600 -0.095 0.000 0.975 623 S CA -0.533 57.581 58.200 -0.142 0.000 0.960 623 S CB 0.481 63.622 63.200 -0.099 0.000 0.822 623 S HN 0.303 nan 8.310 nan 0.000 0.472 624 Q N 1.608 121.331 119.800 -0.129 0.000 2.118 624 Q HA -0.202 4.138 4.340 0.001 0.000 0.211 624 Q C 0.574 176.597 176.000 0.037 0.000 0.998 624 Q CA 1.974 57.770 55.803 -0.012 0.000 0.872 624 Q CB -0.241 28.493 28.738 -0.007 0.000 0.925 624 Q HN 0.568 nan 8.270 nan 0.000 0.414 625 D N -0.578 119.823 120.400 0.001 0.000 2.336 625 D HA 0.032 4.672 4.640 0.001 0.000 0.229 625 D C 0.955 177.285 176.300 0.050 0.000 1.061 625 D CA 0.515 54.535 54.000 0.032 0.000 0.875 625 D CB 0.247 41.050 40.800 0.006 0.000 0.904 625 D HN 0.274 nan 8.370 nan 0.000 0.525 626 L N 0.001 121.250 121.223 0.044 0.000 2.858 626 L HA 0.278 4.619 4.340 0.001 0.000 0.251 626 L C 1.804 178.730 176.870 0.094 0.000 1.149 626 L CA 0.097 54.973 54.840 0.060 0.000 0.955 626 L CB 0.141 42.203 42.059 0.005 0.000 1.289 626 L HN -0.020 nan 8.230 nan 0.000 0.542 627 I N -2.487 118.159 120.570 0.127 0.000 3.860 627 I HA 0.334 4.504 4.170 0.001 0.000 0.319 627 I C 1.249 177.619 176.117 0.421 0.000 1.279 627 I CA -0.242 61.166 61.300 0.180 0.000 1.220 627 I CB -0.372 37.693 38.000 0.109 0.000 1.027 627 I HN 0.008 nan 8.210 nan 0.000 0.428 628 G N 1.527 110.538 108.800 0.353 0.000 2.554 628 G HA2 0.217 4.178 3.960 0.001 0.000 0.238 628 G HA3 0.217 4.178 3.960 0.001 0.000 0.238 628 G C 0.994 176.090 174.900 0.326 0.000 1.259 628 G CA 0.428 45.714 45.100 0.309 0.000 0.843 628 G HN 0.421 nan 8.290 nan 0.000 0.582 629 T N -1.811 112.798 114.554 0.092 0.000 3.081 629 T HA 0.034 4.385 4.350 0.001 0.000 0.255 629 T C 1.644 176.418 174.700 0.122 0.000 1.113 629 T CA 1.040 63.154 62.100 0.023 0.000 1.082 629 T CB 0.018 68.635 68.868 -0.419 0.000 0.939 629 T HN 0.652 nan 8.240 nan 0.000 0.506 630 E N 1.876 122.066 120.200 -0.017 0.000 2.086 630 E HA -0.205 4.145 4.350 0.001 0.000 0.200 630 E C 2.087 178.570 176.600 -0.195 0.000 1.012 630 E CA 1.444 57.638 56.400 -0.344 0.000 0.812 630 E CB -0.442 28.901 29.700 -0.596 0.000 0.743 630 E HN 0.680 nan 8.360 nan 0.000 0.453 631 A N -0.472 122.266 122.820 -0.137 0.000 2.235 631 A HA -0.032 4.289 4.320 0.001 0.000 0.208 631 A C 0.341 177.603 177.584 -0.538 0.000 1.172 631 A CA 0.539 52.373 52.037 -0.337 0.000 0.786 631 A CB -0.312 18.437 19.000 -0.419 0.000 0.804 631 A HN 0.338 nan 8.150 nan 0.000 0.479 632 H N -1.816 117.281 119.070 0.045 0.000 2.575 632 H HA 0.433 4.990 4.556 0.001 0.000 0.256 632 H C 0.134 175.466 175.328 0.006 0.000 1.162 632 H CA -0.247 55.816 56.048 0.025 0.000 0.969 632 H CB 0.107 29.867 29.762 -0.003 0.000 1.796 632 H HN 0.347 nan 8.280 nan 0.000 0.607 633 M N 0.000 119.660 119.600 0.101 0.000 2.572 633 M HA 0.000 4.480 4.480 0.001 0.000 0.227 633 M CA 0.000 55.352 55.300 0.087 0.000 0.988 633 M CB 0.000 32.693 32.600 0.155 0.000 1.302 633 M HN 0.000 nan 8.290 nan 0.000 0.411