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 1ms3_1_B 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 AH 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 0.000 176.859 176.870 -0.019 0.000 1.165 1 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 1 L CB 0.000 42.063 42.059 0.007 0.000 0.961 2 A N 1.606 124.414 122.820 -0.021 0.000 2.286 2 A HA 0.809 5.128 4.320 -0.000 0.000 0.286 2 A C -2.535 175.043 177.584 -0.010 0.000 1.097 2 A CA -1.373 50.654 52.037 -0.017 0.000 0.821 2 A CB 0.019 19.008 19.000 -0.019 0.000 1.076 2 A HN 0.380 nan 8.150 nan 0.000 0.490 3 P HA 0.260 nan 4.420 nan 0.000 0.262 3 P C 0.989 178.286 177.300 -0.004 0.000 1.182 3 P CA 1.976 65.074 63.100 -0.002 0.000 0.761 3 P CB 0.638 32.339 31.700 0.001 0.000 0.795 4 G N 1.627 110.425 108.800 -0.002 0.000 2.254 4 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.225 4 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.225 4 G C 0.493 175.389 174.900 -0.007 0.000 1.003 4 G CA -0.042 45.056 45.100 -0.004 0.000 0.622 4 G HN 0.570 nan 8.290 nan 0.000 0.507 5 S N 0.235 115.929 115.700 -0.010 0.000 2.632 5 S HA 0.797 5.267 4.470 -0.000 0.000 0.267 5 S C 0.415 175.015 174.600 0.000 0.000 1.276 5 S CA 0.506 58.697 58.200 -0.014 0.000 0.998 5 S CB 1.624 64.812 63.200 -0.021 0.000 0.953 5 S HN 1.753 nan 8.310 nan 0.000 0.547 6 S N 0.364 116.066 115.700 0.002 0.000 2.643 6 S HA 0.828 5.298 4.470 -0.000 0.000 0.270 6 S C -1.181 173.433 174.600 0.023 0.000 1.166 6 S CA -1.241 56.971 58.200 0.020 0.000 0.815 6 S CB 1.825 65.046 63.200 0.034 0.000 1.139 6 S HN 0.990 nan 8.310 nan 0.000 0.472 7 R N -0.925 119.600 120.500 0.041 0.000 2.733 7 R HA 0.809 5.149 4.340 -0.000 0.000 0.272 7 R C -1.635 174.713 176.300 0.080 0.000 1.029 7 R CA -0.968 55.163 56.100 0.052 0.000 0.888 7 R CB 1.054 31.364 30.300 0.018 0.000 1.251 7 R HN 1.242 nan 8.270 nan 0.000 0.464 8 V N -2.307 117.680 119.914 0.121 0.000 2.914 8 V HA 0.533 4.652 4.120 -0.000 0.000 0.314 8 V C -0.403 175.719 176.094 0.047 0.000 1.084 8 V CA -0.972 61.384 62.300 0.094 0.000 0.963 8 V CB 1.876 33.780 31.823 0.135 0.000 1.025 8 V HN 0.946 nan 8.190 nan 0.000 0.432 9 E N 1.568 121.768 120.200 0.000 0.000 2.003 9 E HA 0.237 4.587 4.350 -0.000 0.000 0.279 9 E C 0.199 176.744 176.600 -0.092 0.000 1.132 9 E CA -0.457 55.923 56.400 -0.034 0.000 0.888 9 E CB 1.330 31.013 29.700 -0.029 0.000 1.056 9 E HN 0.769 nan 8.360 nan 0.000 0.399 10 L N 5.666 126.813 121.223 -0.127 0.000 2.145 10 L HA 0.196 4.536 4.340 -0.000 0.000 0.201 10 L C -0.123 176.412 176.870 -0.558 0.000 1.075 10 L CA 1.405 56.024 54.840 -0.369 0.000 0.773 10 L CB 0.202 41.978 42.059 -0.472 0.000 0.936 10 L HN 0.429 nan 8.230 nan 0.000 0.451 11 F N 1.599 121.242 119.950 -0.511 0.000 2.308 11 F HA 0.363 4.890 4.527 -0.000 0.000 0.370 11 F C 0.155 175.671 175.800 -0.473 0.000 1.100 11 F CA -0.744 56.742 58.000 -0.857 0.000 1.108 11 F CB 0.497 38.758 39.000 -1.231 0.000 1.293 11 F HN -0.191 nan 8.300 nan 0.000 0.478 12 K N 4.471 124.784 120.400 -0.146 0.000 2.262 12 K HA 0.296 4.616 4.320 -0.000 0.000 0.282 12 K C 0.072 176.815 176.600 0.238 0.000 1.066 12 K CA -0.813 55.502 56.287 0.047 0.000 0.901 12 K CB 0.924 33.419 32.500 -0.008 0.000 1.089 12 K HN 0.609 nan 8.250 nan 0.000 0.476 13 R N 2.850 123.491 120.500 0.236 0.000 2.583 13 R HA -0.112 4.228 4.340 -0.000 0.000 0.274 13 R C -0.424 175.906 176.300 0.050 0.000 0.998 13 R CA 0.215 56.417 56.100 0.171 0.000 1.081 13 R CB -0.032 30.296 30.300 0.047 0.000 0.940 13 R HN 0.728 nan 8.270 nan 0.000 0.413 14 Q N -0.251 119.544 119.800 -0.008 0.000 2.480 14 Q HA -0.295 4.045 4.340 -0.000 0.000 0.265 14 Q C 0.226 176.238 176.000 0.021 0.000 1.072 14 Q CA 1.284 57.065 55.803 -0.036 0.000 1.018 14 Q CB -1.188 27.485 28.738 -0.108 0.000 1.433 14 Q HN 0.899 nan 8.270 nan 0.000 0.513 15 S N -2.032 113.714 115.700 0.076 0.000 3.770 15 S HA 0.138 4.608 4.470 -0.000 0.000 0.238 15 S C 0.206 174.857 174.600 0.086 0.000 1.143 15 S CA 0.312 58.549 58.200 0.061 0.000 0.869 15 S CB 0.550 63.771 63.200 0.035 0.000 1.057 15 S HN 0.257 nan 8.310 nan 0.000 0.507 16 S N 2.679 118.459 115.700 0.134 0.000 2.549 16 S HA 0.323 4.793 4.470 -0.000 0.000 0.286 16 S C -0.448 174.274 174.600 0.203 0.000 1.314 16 S CA 0.257 58.524 58.200 0.112 0.000 1.062 16 S CB 0.478 63.686 63.200 0.013 0.000 0.865 16 S HN 0.390 nan 8.310 nan 0.000 0.498 17 K N 1.359 121.834 120.400 0.126 0.000 2.208 17 K HA 0.712 5.032 4.320 -0.000 0.000 0.247 17 K C -0.564 176.135 176.600 0.164 0.000 0.953 17 K CA -0.869 55.507 56.287 0.149 0.000 0.837 17 K CB 1.619 34.177 32.500 0.098 0.000 1.131 17 K HN 0.458 nan 8.250 nan 0.000 0.431 18 V N -1.716 118.328 119.914 0.217 0.000 3.040 18 V HA 0.567 4.686 4.120 -0.000 0.000 0.312 18 V C -2.770 173.469 176.094 0.241 0.000 1.115 18 V CA -2.739 59.695 62.300 0.223 0.000 0.998 18 V CB 1.871 33.859 31.823 0.275 0.000 1.042 18 V HN 0.617 nan 8.190 nan 0.000 0.433 19 P HA 0.230 nan 4.420 nan 0.000 0.273 19 P C -0.937 176.492 177.300 0.215 0.000 1.428 19 P CA 0.193 63.397 63.100 0.175 0.000 0.995 19 P CB -0.073 31.697 31.700 0.116 0.000 1.286 20 F N 3.506 123.504 119.950 0.080 0.000 2.421 20 F HA 0.259 4.786 4.527 -0.000 0.000 0.358 20 F C 0.487 176.276 175.800 -0.019 0.000 1.115 20 F CA -0.764 57.247 58.000 0.019 0.000 1.160 20 F CB 0.732 39.664 39.000 -0.114 0.000 1.123 20 F HN 0.230 nan 8.300 nan 0.000 0.508 21 E N 7.202 127.042 120.200 -0.600 0.000 2.156 21 E HA 0.332 4.682 4.350 -0.000 0.000 0.279 21 E C -1.374 174.773 176.600 -0.755 0.000 0.965 21 E CA -0.718 55.390 56.400 -0.488 0.000 0.789 21 E CB 0.950 30.501 29.700 -0.248 0.000 1.098 21 E HN 0.732 nan 8.360 nan 0.000 0.397 22 K N 4.016 124.118 120.400 -0.497 0.000 2.550 22 K HA 0.131 4.451 4.320 -0.000 0.000 0.252 22 K C -1.265 175.237 176.600 -0.163 0.000 0.943 22 K CA -0.498 55.569 56.287 -0.367 0.000 0.806 22 K CB 1.057 33.348 32.500 -0.348 0.000 1.289 22 K HN 0.558 nan 8.250 nan 0.000 0.435 23 D N 2.756 123.087 120.400 -0.115 0.000 2.751 23 D HA -0.197 4.442 4.640 -0.000 0.000 0.233 23 D C 0.630 176.894 176.300 -0.059 0.000 1.149 23 D CA 1.985 55.946 54.000 -0.066 0.000 0.682 23 D CB -1.200 39.576 40.800 -0.040 0.000 1.068 23 D HN 1.097 nan 8.370 nan 0.000 0.429 24 G N -0.244 108.511 108.800 -0.075 0.000 2.162 24 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.260 24 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.260 24 G C 0.260 175.130 174.900 -0.050 0.000 0.976 24 G CA 0.851 45.918 45.100 -0.056 0.000 0.655 24 G HN 0.671 nan 8.290 nan 0.000 0.533 25 K N 0.210 120.572 120.400 -0.063 0.000 2.244 25 K HA 0.663 4.983 4.320 -0.000 0.000 0.260 25 K C -0.325 176.242 176.600 -0.055 0.000 0.951 25 K CA -0.769 55.494 56.287 -0.040 0.000 0.826 25 K CB 1.883 34.371 32.500 -0.019 0.000 1.108 25 K HN 0.054 nan 8.250 nan 0.000 0.433 26 V N 3.550 123.452 119.914 -0.021 0.000 2.398 26 V HA 0.399 4.519 4.120 -0.000 0.000 0.286 26 V C -0.583 175.539 176.094 0.047 0.000 1.026 26 V CA -0.587 61.711 62.300 -0.003 0.000 0.868 26 V CB 1.645 33.473 31.823 0.007 0.000 0.982 26 V HN 0.898 nan 8.190 nan 0.000 0.443 27 T N 3.551 118.165 114.554 0.101 0.000 2.861 27 T HA 0.341 4.691 4.350 -0.000 0.000 0.287 27 T C -0.464 174.324 174.700 0.145 0.000 1.003 27 T CA -0.627 61.545 62.100 0.120 0.000 0.977 27 T CB 1.642 70.599 68.868 0.148 0.000 0.996 27 T HN 0.563 nan 8.240 nan 0.000 0.448 28 E N 2.818 123.082 120.200 0.106 0.000 2.081 28 E HA 0.105 4.454 4.350 -0.000 0.000 0.270 28 E C 0.037 176.704 176.600 0.111 0.000 1.180 28 E CA 0.034 56.501 56.400 0.111 0.000 0.926 28 E CB 0.537 30.283 29.700 0.076 0.000 1.035 28 E HN 0.375 nan 8.360 nan 0.000 0.418 29 R N 2.336 122.928 120.500 0.153 0.000 2.445 29 R HA 0.323 4.663 4.340 -0.000 0.000 0.308 29 R C -0.517 175.872 176.300 0.148 0.000 0.961 29 R CA -0.670 55.498 56.100 0.114 0.000 0.862 29 R CB 1.056 31.382 30.300 0.044 0.000 1.144 29 R HN 0.151 nan 8.270 nan 0.000 0.447 30 V N 4.621 124.592 119.914 0.096 0.000 2.740 30 V HA 0.104 4.224 4.120 -0.000 0.000 0.303 30 V C 0.041 176.194 176.094 0.099 0.000 1.054 30 V CA -0.156 62.203 62.300 0.098 0.000 1.106 30 V CB 1.401 33.259 31.823 0.059 0.000 0.957 30 V HN 0.488 nan 8.190 nan 0.000 0.486 31 V N 4.058 124.001 119.914 0.049 0.000 2.459 31 V HA 0.261 4.381 4.120 -0.000 0.000 0.295 31 V C 0.994 176.993 176.094 -0.159 0.000 1.029 31 V CA -0.423 61.777 62.300 -0.165 0.000 0.874 31 V CB 1.297 32.743 31.823 -0.627 0.000 0.985 31 V HN 0.983 nan 8.190 nan 0.000 0.438 32 H N 2.660 121.606 119.070 -0.206 0.000 2.299 32 H HA 0.054 4.609 4.556 -0.000 0.000 0.302 32 H C 0.427 175.674 175.328 -0.136 0.000 1.078 32 H CA 1.600 57.579 56.048 -0.115 0.000 1.323 32 H CB 0.669 30.386 29.762 -0.074 0.000 1.381 32 H HN 0.587 nan 8.280 nan 0.000 0.498 33 S N -0.819 114.845 115.700 -0.061 0.000 2.549 33 S HA 0.452 4.922 4.470 -0.000 0.000 0.280 33 S C -1.517 172.850 174.600 -0.388 0.000 1.109 33 S CA -0.630 57.553 58.200 -0.029 0.000 0.905 33 S CB 1.832 65.181 63.200 0.247 0.000 1.081 33 S HN 0.192 nan 8.310 nan 0.000 0.477 34 F N 1.921 121.880 119.950 0.015 0.000 2.482 34 F HA 0.665 5.192 4.527 -0.000 0.000 0.331 34 F C 0.765 176.480 175.800 -0.141 0.000 1.115 34 F CA -0.691 57.251 58.000 -0.096 0.000 0.955 34 F CB 1.350 40.292 39.000 -0.096 0.000 1.136 34 F HN 0.182 nan 8.300 nan 0.000 0.452 35 R N 1.631 122.099 120.500 -0.054 0.000 2.869 35 R HA 0.530 4.870 4.340 -0.000 0.000 0.263 35 R C -1.014 175.245 176.300 -0.067 0.000 1.066 35 R CA -0.975 55.050 56.100 -0.125 0.000 0.960 35 R CB 1.852 31.976 30.300 -0.295 0.000 1.221 35 R HN 0.650 nan 8.270 nan 0.000 0.474 36 L N 1.089 122.341 121.223 0.049 0.000 3.550 36 L HA -0.119 4.221 4.340 -0.000 0.000 0.523 36 L C -2.245 174.630 176.870 0.008 0.000 1.312 36 L CA 0.257 55.156 54.840 0.099 0.000 0.864 36 L CB -1.693 40.385 42.059 0.031 0.000 1.592 36 L HN 0.457 nan 8.230 nan 0.000 0.859 37 P HA 0.334 nan 4.420 nan 0.000 0.271 37 P C -0.299 177.018 177.300 0.029 0.000 1.216 37 P CA 0.054 63.129 63.100 -0.042 0.000 0.776 37 P CB 1.531 33.234 31.700 0.005 0.000 0.881 38 A N 3.703 126.547 122.820 0.040 0.000 2.414 38 A HA 0.556 4.876 4.320 -0.000 0.000 0.286 38 A C -1.460 176.213 177.584 0.149 0.000 1.073 38 A CA -0.607 51.493 52.037 0.105 0.000 0.727 38 A CB 0.859 19.926 19.000 0.113 0.000 1.215 38 A HN 0.493 nan 8.150 nan 0.000 0.430 39 L N 4.250 125.584 121.223 0.185 0.000 2.349 39 L HA 0.828 5.167 4.340 -0.000 0.000 0.278 39 L C -0.482 176.526 176.870 0.229 0.000 0.996 39 L CA -0.353 54.631 54.840 0.241 0.000 0.825 39 L CB 1.758 43.992 42.059 0.291 0.000 1.243 39 L HN 0.993 nan 8.230 nan 0.000 0.412 40 V N 1.794 121.843 119.914 0.225 0.000 3.160 40 V HA 0.736 4.856 4.120 -0.000 0.000 0.310 40 V C -1.152 175.037 176.094 0.158 0.000 1.181 40 V CA -0.816 61.596 62.300 0.187 0.000 1.047 40 V CB 2.083 34.011 31.823 0.175 0.000 1.068 40 V HN 0.826 nan 8.190 nan 0.000 0.441 41 N N 0.682 119.455 118.700 0.122 0.000 2.407 41 N HA 0.601 5.341 4.740 -0.000 0.000 0.277 41 N C -1.336 174.210 175.510 0.061 0.000 0.995 41 N CA -0.433 52.664 53.050 0.079 0.000 0.903 41 N CB 1.740 40.267 38.487 0.066 0.000 1.218 41 N HN 0.718 nan 8.380 nan 0.000 0.487 42 V N 3.614 123.550 119.914 0.037 0.000 2.304 42 V HA 0.255 4.375 4.120 -0.000 0.000 0.278 42 V C 0.167 176.254 176.094 -0.012 0.000 1.018 42 V CA -0.639 61.669 62.300 0.012 0.000 0.814 42 V CB 0.628 32.445 31.823 -0.009 0.000 1.021 42 V HN 0.889 nan 8.190 nan 0.000 0.440 43 D N 4.280 124.675 120.400 -0.009 0.000 2.751 43 D HA -0.192 4.448 4.640 -0.000 0.000 0.233 43 D C 1.282 177.567 176.300 -0.025 0.000 1.149 43 D CA 2.164 56.152 54.000 -0.020 0.000 0.682 43 D CB -1.071 39.710 40.800 -0.033 0.000 1.068 43 D HN 1.376 nan 8.370 nan 0.000 0.429 44 G N -2.564 106.224 108.800 -0.021 0.000 2.194 44 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 44 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 44 G C 0.294 175.168 174.900 -0.045 0.000 0.987 44 G CA 0.108 45.190 45.100 -0.031 0.000 0.635 44 G HN 0.918 nan 8.290 nan 0.000 0.520 45 V N 2.667 122.559 119.914 -0.036 0.000 2.370 45 V HA 0.574 4.694 4.120 -0.000 0.000 0.279 45 V C 0.894 176.980 176.094 -0.013 0.000 1.029 45 V CA -0.376 61.902 62.300 -0.036 0.000 0.870 45 V CB 1.517 33.324 31.823 -0.026 0.000 0.984 45 V HN 0.355 nan 8.190 nan 0.000 0.451 46 M N 4.777 124.337 119.600 -0.067 0.000 2.217 46 M HA 0.426 4.906 4.480 -0.000 0.000 0.354 46 M C -0.829 175.566 176.300 0.158 0.000 1.225 46 M CA -0.021 55.275 55.300 -0.006 0.000 1.137 46 M CB 1.329 33.825 32.600 -0.175 0.000 1.576 46 M HN 0.412 nan 8.290 nan 0.000 0.461 47 V N 2.566 122.642 119.914 0.270 0.000 2.638 47 V HA 0.705 4.825 4.120 -0.000 0.000 0.306 47 V C -0.533 175.796 176.094 0.392 0.000 1.052 47 V CA -0.914 61.612 62.300 0.377 0.000 0.885 47 V CB 1.789 33.787 31.823 0.292 0.000 0.999 47 V HN 0.921 nan 8.190 nan 0.000 0.424 48 A N 6.003 129.086 122.820 0.439 0.000 2.304 48 A HA 0.904 5.224 4.320 -0.000 0.000 0.314 48 A C -0.864 176.896 177.584 0.293 0.000 1.187 48 A CA -0.391 51.842 52.037 0.326 0.000 0.810 48 A CB 0.616 19.782 19.000 0.276 0.000 1.183 48 A HN 0.768 nan 8.150 nan 0.000 0.487 49 I N 1.662 122.324 120.570 0.154 0.000 2.530 49 I HA 0.759 4.929 4.170 -0.000 0.000 0.297 49 I C 0.357 176.432 176.117 -0.071 0.000 1.011 49 I CA -0.180 61.173 61.300 0.089 0.000 1.107 49 I CB 2.185 40.261 38.000 0.126 0.000 1.285 49 I HN 0.832 nan 8.210 nan 0.000 0.436 50 A N 3.739 126.493 122.820 -0.110 0.000 2.564 50 A HA 0.531 4.851 4.320 -0.000 0.000 0.291 50 A C -1.882 175.645 177.584 -0.094 0.000 1.102 50 A CA -0.723 51.206 52.037 -0.180 0.000 0.660 50 A CB 1.173 19.886 19.000 -0.479 0.000 1.283 50 A HN 0.530 nan 8.150 nan 0.000 0.430 51 D N 1.128 121.470 120.400 -0.096 0.000 2.350 51 D HA 0.513 5.153 4.640 -0.000 0.000 0.249 51 D C 0.118 176.346 176.300 -0.120 0.000 1.119 51 D CA 0.870 54.803 54.000 -0.113 0.000 0.886 51 D CB 1.476 42.191 40.800 -0.142 0.000 1.195 51 D HN 0.807 nan 8.370 nan 0.000 0.437 52 A N 3.960 126.650 122.820 -0.218 0.000 2.322 52 A HA 0.345 4.665 4.320 -0.000 0.000 0.327 52 A C 0.077 177.260 177.584 -0.669 0.000 1.394 52 A CA -0.719 51.010 52.037 -0.513 0.000 0.921 52 A CB 0.284 18.999 19.000 -0.475 0.000 1.153 52 A HN 0.398 nan 8.150 nan 0.000 0.523 53 R N 3.131 123.287 120.500 -0.572 0.000 2.287 53 R HA 0.211 4.551 4.340 -0.000 0.000 0.327 53 R C -0.370 175.738 176.300 -0.320 0.000 1.109 53 R CA -0.157 55.729 56.100 -0.356 0.000 1.013 53 R CB 0.223 30.380 30.300 -0.238 0.000 1.126 53 R HN 0.857 nan 8.270 nan 0.000 0.503 54 Y N 1.347 121.546 120.300 -0.168 0.000 2.165 54 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 54 Y C 1.614 177.448 175.900 -0.109 0.000 1.155 54 Y CA 1.583 59.582 58.100 -0.169 0.000 1.164 54 Y CB 0.294 38.623 38.460 -0.218 0.000 0.978 54 Y HN 0.536 nan 8.280 nan 0.000 0.513 55 E N -2.051 118.174 120.200 0.041 0.000 2.453 55 E HA 0.117 4.467 4.350 -0.000 0.000 0.211 55 E C 0.432 176.889 176.600 -0.239 0.000 0.897 55 E CA 0.507 56.891 56.400 -0.026 0.000 1.063 55 E CB 1.072 30.753 29.700 -0.031 0.000 1.080 55 E HN 0.115 nan 8.360 nan 0.000 0.512 56 T N -1.227 113.085 114.554 -0.403 0.000 2.749 56 T HA 0.102 4.451 4.350 -0.000 0.000 0.310 56 T C 0.003 174.443 174.700 -0.434 0.000 1.496 56 T CA -0.105 61.531 62.100 -0.773 0.000 1.006 56 T CB 1.266 69.955 68.868 -0.298 0.000 1.457 56 T HN -0.038 nan 8.240 nan 0.000 0.497 57 S N 1.328 116.872 115.700 -0.260 0.000 2.593 57 S HA 0.246 4.716 4.470 -0.000 0.000 0.217 57 S C 0.595 175.180 174.600 -0.024 0.000 0.966 57 S CA -0.393 57.794 58.200 -0.023 0.000 0.914 57 S CB -0.550 62.801 63.200 0.252 0.000 0.776 57 S HN 0.581 nan 8.310 nan 0.000 0.523 58 F N 4.061 123.923 119.950 -0.148 0.000 2.629 58 F HA 0.103 4.630 4.527 -0.000 0.000 0.377 58 F C 0.929 176.664 175.800 -0.108 0.000 1.101 58 F CA -0.695 57.233 58.000 -0.120 0.000 1.301 58 F CB 0.243 39.180 39.000 -0.105 0.000 1.062 58 F HN 0.008 nan 8.300 nan 0.000 0.583 59 D N 2.682 122.662 120.400 -0.699 0.000 2.182 59 D HA -0.193 4.447 4.640 -0.000 0.000 0.201 59 D C 0.318 176.306 176.300 -0.521 0.000 0.986 59 D CA 1.482 55.174 54.000 -0.513 0.000 0.847 59 D CB -0.109 40.500 40.800 -0.318 0.000 0.942 59 D HN 0.460 nan 8.370 nan 0.000 0.467 60 N N 0.900 119.074 118.700 -0.878 0.000 3.194 60 N HA 0.116 4.856 4.740 -0.000 0.000 0.271 60 N C -0.359 175.138 175.510 -0.022 0.000 1.308 60 N CA -0.033 52.794 53.050 -0.371 0.000 1.042 60 N CB 0.983 39.298 38.487 -0.285 0.000 1.310 60 N HN 0.053 nan 8.380 nan 0.000 0.502 61 S N -0.724 114.963 115.700 -0.022 0.000 2.840 61 S HA 0.486 4.956 4.470 -0.000 0.000 0.307 61 S C -0.600 174.025 174.600 0.040 0.000 1.180 61 S CA -0.905 57.336 58.200 0.068 0.000 0.846 61 S CB 1.356 64.606 63.200 0.084 0.000 1.233 61 S HN 0.143 nan 8.310 nan 0.000 0.548 62 L N 1.370 122.633 121.223 0.068 0.000 2.369 62 L HA 0.584 4.924 4.340 -0.000 0.000 0.279 62 L C -1.192 175.781 176.870 0.172 0.000 1.108 62 L CA 0.220 55.135 54.840 0.125 0.000 0.852 62 L CB -0.713 41.421 42.059 0.126 0.000 1.169 62 L HN 0.584 nan 8.230 nan 0.000 0.452 63 I N 4.223 124.874 120.570 0.135 0.000 2.569 63 I HA 0.386 4.555 4.170 -0.000 0.000 0.290 63 I C -0.975 175.197 176.117 0.091 0.000 1.088 63 I CA -0.779 60.546 61.300 0.041 0.000 1.047 63 I CB 2.013 39.979 38.000 -0.057 0.000 1.237 63 I HN 0.432 nan 8.210 nan 0.000 0.421 64 D N 2.896 123.330 120.400 0.058 0.000 2.299 64 D HA 0.413 5.053 4.640 -0.000 0.000 0.243 64 D C -0.553 175.716 176.300 -0.052 0.000 0.982 64 D CA -0.261 53.781 54.000 0.072 0.000 0.924 64 D CB 2.208 43.145 40.800 0.229 0.000 1.238 64 D HN 0.330 nan 8.370 nan 0.000 0.484 65 T N 0.505 115.013 114.554 -0.077 0.000 2.749 65 T HA 0.329 4.679 4.350 -0.000 0.000 0.295 65 T C 0.038 174.673 174.700 -0.108 0.000 0.936 65 T CA -0.392 61.639 62.100 -0.115 0.000 1.060 65 T CB 0.886 69.648 68.868 -0.177 0.000 0.904 65 T HN 0.078 nan 8.240 nan 0.000 0.500 66 V N 2.857 122.759 119.914 -0.019 0.000 2.617 66 V HA 0.866 4.985 4.120 -0.000 0.000 0.298 66 V C -0.430 175.727 176.094 0.104 0.000 1.048 66 V CA -0.647 61.701 62.300 0.080 0.000 0.964 66 V CB 1.255 33.244 31.823 0.275 0.000 1.004 66 V HN 1.049 nan 8.190 nan 0.000 0.466 67 A N 5.919 128.828 122.820 0.148 0.000 2.393 67 A HA 0.804 5.123 4.320 -0.000 0.000 0.306 67 A C -0.727 177.049 177.584 0.320 0.000 1.050 67 A CA -0.831 51.372 52.037 0.276 0.000 0.724 67 A CB 1.384 20.593 19.000 0.349 0.000 1.248 67 A HN 0.837 nan 8.150 nan 0.000 0.424 68 K N 0.886 121.490 120.400 0.340 0.000 2.259 68 K HA 0.656 4.976 4.320 -0.000 0.000 0.252 68 K C -1.606 175.314 176.600 0.533 0.000 0.936 68 K CA -0.497 55.915 56.287 0.207 0.000 0.810 68 K CB 2.115 34.440 32.500 -0.292 0.000 1.143 68 K HN 0.759 nan 8.250 nan 0.000 0.427 69 Y N -2.038 118.507 120.300 0.407 0.000 2.562 69 Y HA 0.689 5.239 4.550 -0.000 0.000 0.345 69 Y C -0.778 175.097 175.900 -0.042 0.000 1.045 69 Y CA -1.092 57.165 58.100 0.262 0.000 1.028 69 Y CB 2.003 40.551 38.460 0.146 0.000 1.297 69 Y HN 0.430 nan 8.280 nan 0.000 0.463 70 S N 1.006 116.544 115.700 -0.270 0.000 2.540 70 S HA 0.538 5.008 4.470 -0.000 0.000 0.275 70 S C -0.436 173.950 174.600 -0.357 0.000 1.123 70 S CA -0.173 57.634 58.200 -0.655 0.000 0.907 70 S CB 1.512 63.715 63.200 -1.662 0.000 1.081 70 S HN 1.439 nan 8.310 nan 0.000 0.476 71 V N 0.638 120.394 119.914 -0.263 0.000 3.483 71 V HA 0.450 4.570 4.120 -0.000 0.000 0.301 71 V C 0.135 176.122 176.094 -0.179 0.000 1.389 71 V CA 0.419 62.624 62.300 -0.160 0.000 1.101 71 V CB -0.164 31.613 31.823 -0.077 0.000 0.971 71 V HN 0.802 nan 8.190 nan 0.000 0.434 72 D N -1.204 119.038 120.400 -0.264 0.000 2.804 72 D HA 0.168 4.808 4.640 -0.000 0.000 0.308 72 D C 0.074 176.248 176.300 -0.210 0.000 1.371 72 D CA -0.370 53.512 54.000 -0.197 0.000 0.823 72 D CB -0.451 40.251 40.800 -0.163 0.000 1.126 72 D HN 0.214 nan 8.370 nan 0.000 0.467 73 D N 0.335 120.581 120.400 -0.255 0.000 2.772 73 D HA -0.149 4.491 4.640 -0.000 0.000 0.233 73 D C 1.252 177.405 176.300 -0.245 0.000 1.143 73 D CA 1.569 55.436 54.000 -0.221 0.000 0.700 73 D CB -1.368 39.423 40.800 -0.016 0.000 1.076 73 D HN 0.738 nan 8.370 nan 0.000 0.430 74 G N -0.702 107.726 108.800 -0.620 0.000 2.176 74 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.232 74 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.232 74 G C 0.920 175.672 174.900 -0.246 0.000 0.986 74 G CA 0.508 45.197 45.100 -0.685 0.000 0.643 74 G HN 0.350 nan 8.290 nan 0.000 0.522 75 E N 0.427 120.494 120.200 -0.222 0.000 2.047 75 E HA 0.043 4.392 4.350 -0.000 0.000 0.191 75 E C 1.688 178.227 176.600 -0.102 0.000 0.987 75 E CA 1.860 58.219 56.400 -0.069 0.000 0.799 75 E CB -0.185 29.479 29.700 -0.060 0.000 0.752 75 E HN 0.911 nan 8.360 nan 0.000 0.449 76 T N -2.580 111.794 114.554 -0.301 0.000 2.906 76 T HA 0.564 4.914 4.350 -0.000 0.000 0.295 76 T C -1.109 173.307 174.700 -0.473 0.000 1.061 76 T CA -0.930 61.045 62.100 -0.209 0.000 1.000 76 T CB 1.436 70.219 68.868 -0.142 0.000 1.103 76 T HN 0.020 nan 8.240 nan 0.000 0.486 77 W N 0.118 121.259 121.300 -0.264 0.000 3.032 77 W HA 0.612 5.272 4.660 -0.000 0.000 0.335 77 W C -0.275 176.009 176.519 -0.392 0.000 1.154 77 W CA -0.744 56.391 57.345 -0.350 0.000 1.204 77 W CB 1.615 30.840 29.460 -0.391 0.000 1.416 77 W HN 0.596 nan 8.180 nan 0.000 0.521 78 E N 0.925 120.901 120.200 -0.372 0.000 2.227 78 E HA 0.634 4.984 4.350 -0.000 0.000 0.268 78 E C -0.771 175.628 176.600 -0.335 0.000 0.990 78 E CA -0.527 55.594 56.400 -0.466 0.000 0.856 78 E CB 2.026 31.215 29.700 -0.851 0.000 1.159 78 E HN 0.233 nan 8.360 nan 0.000 0.401 79 T N 2.015 116.485 114.554 -0.139 0.000 2.861 79 T HA 0.447 4.797 4.350 -0.000 0.000 0.287 79 T C -0.429 174.330 174.700 0.098 0.000 1.003 79 T CA -0.869 61.215 62.100 -0.027 0.000 0.977 79 T CB 1.576 70.404 68.868 -0.067 0.000 0.996 79 T HN 0.431 nan 8.240 nan 0.000 0.448 80 Q N 1.488 121.389 119.800 0.169 0.000 2.565 80 Q HA 0.629 4.969 4.340 -0.000 0.000 0.294 80 Q C -1.596 174.469 176.000 0.108 0.000 1.005 80 Q CA -1.195 54.715 55.803 0.179 0.000 0.771 80 Q CB 1.382 30.297 28.738 0.295 0.000 1.486 80 Q HN 0.347 nan 8.270 nan 0.000 0.422 81 I N 1.752 122.356 120.570 0.056 0.000 2.304 81 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 81 I C 0.765 176.723 176.117 -0.264 0.000 1.018 81 I CA -0.139 61.139 61.300 -0.036 0.000 1.260 81 I CB 0.823 38.845 38.000 0.037 0.000 1.390 81 I HN 1.010 nan 8.210 nan 0.000 0.475 82 A N 7.771 130.257 122.820 -0.557 0.000 1.898 82 A HA 0.200 4.520 4.320 -0.000 0.000 0.214 82 A C 0.909 178.029 177.584 -0.772 0.000 1.183 82 A CA 1.078 52.284 52.037 -1.385 0.000 0.622 82 A CB 0.141 18.063 19.000 -1.797 0.000 0.824 82 A HN 0.620 nan 8.150 nan 0.000 0.444 83 I N 0.129 120.450 120.570 -0.416 0.000 2.571 83 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 83 I C -0.890 175.156 176.117 -0.119 0.000 1.115 83 I CA -0.851 60.317 61.300 -0.220 0.000 1.045 83 I CB 2.306 40.187 38.000 -0.198 0.000 1.238 83 I HN 0.258 nan 8.210 nan 0.000 0.424 84 K N 5.194 125.548 120.400 -0.076 0.000 2.110 84 K HA 0.477 4.797 4.320 -0.000 0.000 0.263 84 K C -0.374 176.207 176.600 -0.031 0.000 0.975 84 K CA -0.810 55.458 56.287 -0.032 0.000 0.895 84 K CB 1.282 33.749 32.500 -0.055 0.000 1.060 84 K HN 0.658 nan 8.250 nan 0.000 0.448 85 N N 0.655 119.362 118.700 0.011 0.000 2.294 85 N HA -0.109 4.630 4.740 -0.000 0.000 0.248 85 N C 0.601 176.101 175.510 -0.018 0.000 1.300 85 N CA -0.104 52.947 53.050 0.001 0.000 0.925 85 N CB 0.740 39.255 38.487 0.047 0.000 1.188 85 N HN 0.788 nan 8.380 nan 0.000 0.512 86 S N -0.638 115.048 115.700 -0.023 0.000 2.474 86 S HA -0.093 4.377 4.470 -0.000 0.000 0.235 86 S C 0.569 175.158 174.600 -0.019 0.000 0.997 86 S CA 0.014 58.195 58.200 -0.032 0.000 0.949 86 S CB -0.358 62.821 63.200 -0.036 0.000 0.766 86 S HN 0.672 nan 8.310 nan 0.000 0.517 87 R N -0.440 120.063 120.500 0.005 0.000 3.770 87 R HA -0.173 4.167 4.340 -0.000 0.000 0.305 87 R C 0.995 177.304 176.300 0.014 0.000 1.184 87 R CA 0.830 56.938 56.100 0.015 0.000 0.823 87 R CB -2.645 27.642 30.300 -0.023 0.000 1.285 87 R HN 0.685 nan 8.270 nan 0.000 0.499 88 A N -0.028 122.802 122.820 0.017 0.000 2.021 88 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 88 A C 1.088 178.686 177.584 0.024 0.000 1.163 88 A CA 1.501 53.546 52.037 0.015 0.000 0.676 88 A CB 0.224 19.232 19.000 0.012 0.000 0.818 88 A HN 0.663 nan 8.150 nan 0.000 0.453 89 S N -2.558 113.163 115.700 0.035 0.000 2.752 89 S HA 0.363 4.832 4.470 -0.000 0.000 0.284 89 S C 0.693 175.319 174.600 0.043 0.000 1.189 89 S CA 0.433 58.654 58.200 0.036 0.000 0.835 89 S CB 0.600 63.823 63.200 0.039 0.000 1.192 89 S HN 0.761 nan 8.310 nan 0.000 0.506 90 S N -0.175 115.547 115.700 0.037 0.000 2.515 90 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 90 S C 1.368 175.997 174.600 0.049 0.000 0.987 90 S CA 0.788 59.008 58.200 0.034 0.000 0.936 90 S CB -0.854 62.357 63.200 0.018 0.000 0.766 90 S HN 1.690 nan 8.310 nan 0.000 0.528 91 V N -1.827 118.124 119.914 0.061 0.000 3.319 91 V HA 0.429 4.549 4.120 -0.000 0.000 0.317 91 V C 0.259 176.400 176.094 0.077 0.000 1.411 91 V CA -0.656 61.688 62.300 0.073 0.000 1.112 91 V CB -0.531 31.344 31.823 0.088 0.000 1.031 91 V HN 0.262 nan 8.190 nan 0.000 0.448 92 S N 3.129 118.876 115.700 0.079 0.000 2.560 92 S HA 0.562 5.031 4.470 -0.000 0.000 0.284 92 S C 0.173 174.825 174.600 0.087 0.000 1.327 92 S CA -0.102 58.148 58.200 0.084 0.000 1.055 92 S CB 0.219 63.457 63.200 0.064 0.000 0.868 92 S HN 0.936 nan 8.310 nan 0.000 0.506 93 R N -0.577 119.975 120.500 0.087 0.000 2.604 93 R HA 0.538 4.878 4.340 -0.000 0.000 0.261 93 R C -1.749 174.577 176.300 0.043 0.000 1.080 93 R CA -1.038 55.100 56.100 0.064 0.000 0.917 93 R CB 0.436 30.759 30.300 0.037 0.000 1.252 93 R HN 0.385 nan 8.270 nan 0.000 0.456 94 V N -0.109 119.802 119.914 -0.007 0.000 2.435 94 V HA 0.821 4.941 4.120 -0.000 0.000 0.290 94 V C 0.446 176.496 176.094 -0.073 0.000 1.030 94 V CA -0.701 61.562 62.300 -0.061 0.000 0.881 94 V CB 1.116 32.883 31.823 -0.093 0.000 0.983 94 V HN 0.695 nan 8.190 nan 0.000 0.445 95 V N -0.059 119.797 119.914 -0.096 0.000 3.040 95 V HA 0.720 4.840 4.120 -0.000 0.000 0.312 95 V C -0.229 175.768 176.094 -0.162 0.000 1.115 95 V CA -0.763 61.465 62.300 -0.121 0.000 0.998 95 V CB 1.623 33.370 31.823 -0.126 0.000 1.042 95 V HN 0.870 nan 8.190 nan 0.000 0.433 96 D N 0.837 121.151 120.400 -0.144 0.000 2.697 96 D HA -0.100 4.540 4.640 -0.000 0.000 0.235 96 D C -2.309 173.917 176.300 -0.124 0.000 1.167 96 D CA 1.156 55.076 54.000 -0.134 0.000 0.656 96 D CB -1.049 39.632 40.800 -0.199 0.000 1.025 96 D HN 0.786 nan 8.370 nan 0.000 0.419 97 P HA 0.042 nan 4.420 nan 0.000 0.267 97 P C -0.258 177.036 177.300 -0.010 0.000 1.205 97 P CA 0.330 63.388 63.100 -0.069 0.000 0.765 97 P CB 0.918 32.586 31.700 -0.054 0.000 0.828 98 T N 2.732 117.293 114.554 0.011 0.000 2.824 98 T HA 0.398 4.748 4.350 -0.000 0.000 0.282 98 T C -0.186 174.712 174.700 0.329 0.000 0.993 98 T CA -0.467 61.716 62.100 0.138 0.000 0.967 98 T CB 1.244 70.157 68.868 0.076 0.000 0.960 98 T HN 0.076 nan 8.240 nan 0.000 0.441 99 V N 4.441 124.561 119.914 0.343 0.000 2.495 99 V HA 0.584 4.704 4.120 -0.000 0.000 0.298 99 V C -0.384 175.898 176.094 0.312 0.000 1.031 99 V CA -0.830 61.680 62.300 0.351 0.000 0.871 99 V CB 1.659 33.639 31.823 0.261 0.000 0.988 99 V HN 0.800 nan 8.190 nan 0.000 0.432 100 I N 4.117 124.870 120.570 0.305 0.000 2.465 100 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 100 I C -0.619 175.648 176.117 0.250 0.000 1.014 100 I CA -0.898 60.503 61.300 0.167 0.000 1.093 100 I CB 2.265 40.243 38.000 -0.037 0.000 1.267 100 I HN 0.271 nan 8.210 nan 0.000 0.431 101 V N 6.286 126.303 119.914 0.173 0.000 2.407 101 V HA 0.377 4.497 4.120 -0.000 0.000 0.278 101 V C -0.071 176.109 176.094 0.143 0.000 1.037 101 V CA -0.459 61.939 62.300 0.162 0.000 0.900 101 V CB 1.419 33.310 31.823 0.113 0.000 0.983 101 V HN 0.632 nan 8.190 nan 0.000 0.459 102 K N 3.596 124.110 120.400 0.189 0.000 2.637 102 K HA 0.579 4.899 4.320 -0.000 0.000 0.248 102 K C 0.534 177.200 176.600 0.109 0.000 0.971 102 K CA 0.369 56.737 56.287 0.135 0.000 0.858 102 K CB 1.369 33.949 32.500 0.134 0.000 1.170 102 K HN 0.927 nan 8.250 nan 0.000 0.443 103 G N 3.649 112.480 108.800 0.051 0.000 2.591 103 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.298 103 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.298 103 G C 0.145 175.047 174.900 0.005 0.000 1.195 103 G CA 0.549 45.662 45.100 0.022 0.000 0.989 103 G HN 0.823 nan 8.290 nan 0.000 0.551 104 N N 1.306 119.992 118.700 -0.022 0.000 2.251 104 N HA 0.176 4.916 4.740 -0.000 0.000 0.217 104 N C 0.225 175.669 175.510 -0.109 0.000 1.124 104 N CA 0.460 53.471 53.050 -0.064 0.000 0.843 104 N CB 0.352 38.790 38.487 -0.081 0.000 1.024 104 N HN 0.719 nan 8.380 nan 0.000 0.501 105 K N 0.450 120.803 120.400 -0.077 0.000 2.156 105 K HA 0.481 4.801 4.320 -0.000 0.000 0.254 105 K C -0.725 175.800 176.600 -0.125 0.000 0.950 105 K CA -0.654 55.520 56.287 -0.188 0.000 0.849 105 K CB 2.150 34.491 32.500 -0.264 0.000 1.100 105 K HN 0.003 nan 8.250 nan 0.000 0.434 106 L N 3.381 124.460 121.223 -0.240 0.000 2.287 106 L HA 0.386 4.726 4.340 -0.000 0.000 0.287 106 L C -1.083 175.759 176.870 -0.048 0.000 1.022 106 L CA -0.745 54.076 54.840 -0.032 0.000 0.814 106 L CB 0.538 42.601 42.059 0.007 0.000 1.217 106 L HN 0.499 nan 8.230 nan 0.000 0.420 107 Y N 2.861 123.283 120.300 0.204 0.000 2.335 107 Y HA 0.508 5.058 4.550 -0.000 0.000 0.339 107 Y C -0.099 176.025 175.900 0.374 0.000 0.987 107 Y CA -0.732 57.543 58.100 0.291 0.000 1.140 107 Y CB 1.688 40.331 38.460 0.305 0.000 1.173 107 Y HN 0.170 nan 8.280 nan 0.000 0.486 108 V N 5.693 125.867 119.914 0.434 0.000 2.444 108 V HA 0.316 4.436 4.120 -0.000 0.000 0.294 108 V C -0.841 175.331 176.094 0.129 0.000 1.022 108 V CA -0.824 61.654 62.300 0.298 0.000 0.850 108 V CB 1.705 33.667 31.823 0.231 0.000 0.992 108 V HN 0.509 nan 8.190 nan 0.000 0.426 109 L N 7.665 128.865 121.223 -0.039 0.000 2.272 109 L HA 0.833 5.173 4.340 -0.000 0.000 0.289 109 L C -0.333 176.368 176.870 -0.283 0.000 1.032 109 L CA -0.002 54.656 54.840 -0.304 0.000 0.810 109 L CB 1.550 43.112 42.059 -0.829 0.000 1.205 109 L HN 0.598 nan 8.230 nan 0.000 0.422 110 V N 2.115 121.858 119.914 -0.286 0.000 2.876 110 V HA 0.946 5.066 4.120 -0.000 0.000 0.312 110 V C 0.353 176.222 176.094 -0.376 0.000 1.085 110 V CA -0.328 61.803 62.300 -0.282 0.000 0.945 110 V CB 1.105 32.806 31.823 -0.204 0.000 1.017 110 V HN 0.856 nan 8.190 nan 0.000 0.428 111 G N 1.043 109.626 108.800 -0.361 0.000 2.539 111 G HA2 0.508 4.468 3.960 -0.000 0.000 0.258 111 G HA3 0.508 4.468 3.960 -0.000 0.000 0.258 111 G C -0.294 174.387 174.900 -0.365 0.000 1.202 111 G CA 0.038 44.886 45.100 -0.419 0.000 0.851 111 G HN 1.314 nan 8.290 nan 0.000 0.556 112 S N -0.180 115.160 115.700 -0.600 0.000 2.614 112 S HA 0.654 5.123 4.470 -0.000 0.000 0.288 112 S C -1.574 172.685 174.600 -0.569 0.000 1.137 112 S CA -0.656 57.302 58.200 -0.404 0.000 0.992 112 S CB 0.602 63.575 63.200 -0.378 0.000 1.026 112 S HN 0.437 nan 8.310 nan 0.000 0.486 113 Y N 3.170 123.423 120.300 -0.077 0.000 2.499 113 Y HA 0.512 5.062 4.550 -0.000 0.000 0.347 113 Y C 1.174 177.073 175.900 -0.002 0.000 0.987 113 Y CA -0.887 57.215 58.100 0.004 0.000 1.044 113 Y CB 1.702 40.196 38.460 0.058 0.000 1.245 113 Y HN 0.587 nan 8.280 nan 0.000 0.461 114 N N -0.337 118.459 118.700 0.160 0.000 2.420 114 N HA 0.022 4.762 4.740 -0.000 0.000 0.185 114 N C 0.534 176.102 175.510 0.097 0.000 1.033 114 N CA 1.001 54.103 53.050 0.088 0.000 0.879 114 N CB 0.312 38.824 38.487 0.042 0.000 1.071 114 N HN 0.521 nan 8.380 nan 0.000 0.437 115 S N -0.989 114.777 115.700 0.110 0.000 2.684 115 S HA 0.116 4.586 4.470 -0.000 0.000 0.268 115 S C 0.413 175.059 174.600 0.077 0.000 1.075 115 S CA -0.463 57.784 58.200 0.079 0.000 1.184 115 S CB 0.987 64.218 63.200 0.051 0.000 1.129 115 S HN 0.159 nan 8.310 nan 0.000 0.630 116 S N 1.356 117.113 115.700 0.095 0.000 2.563 116 S HA 0.239 4.709 4.470 -0.000 0.000 0.284 116 S C 0.768 175.422 174.600 0.089 0.000 1.331 116 S CA 0.075 58.306 58.200 0.052 0.000 1.047 116 S CB 0.580 63.775 63.200 -0.007 0.000 0.859 116 S HN 0.304 nan 8.310 nan 0.000 0.514 117 R N 1.547 122.107 120.500 0.100 0.000 2.437 117 R HA 0.313 4.653 4.340 -0.000 0.000 0.257 117 R C -0.297 176.136 176.300 0.222 0.000 0.927 117 R CA -0.000 56.202 56.100 0.170 0.000 1.078 117 R CB 0.759 31.152 30.300 0.155 0.000 1.161 117 R HN 0.498 nan 8.270 nan 0.000 0.529 118 S N -0.292 115.530 115.700 0.203 0.000 2.565 118 S HA 0.229 4.699 4.470 -0.000 0.000 0.290 118 S C -0.938 173.810 174.600 0.247 0.000 1.150 118 S CA -0.725 57.620 58.200 0.242 0.000 1.058 118 S CB 1.099 64.433 63.200 0.223 0.000 1.032 118 S HN 0.123 nan 8.310 nan 0.000 0.510 119 Y N 4.087 124.382 120.300 -0.009 0.000 2.811 119 Y HA -0.085 4.465 4.550 -0.000 0.000 0.334 119 Y C 1.559 177.294 175.900 -0.275 0.000 1.247 119 Y CA -0.280 57.739 58.100 -0.134 0.000 1.526 119 Y CB 0.364 38.745 38.460 -0.130 0.000 1.284 119 Y HN 0.906 nan 8.280 nan 0.000 0.586 120 W N 3.773 124.441 121.300 -1.053 0.000 2.325 120 W HA -0.248 4.412 4.660 -0.000 0.000 0.299 120 W C 1.360 177.445 176.519 -0.723 0.000 1.215 120 W CA 2.123 58.730 57.345 -1.231 0.000 1.244 120 W CB -1.958 26.962 29.460 -0.899 0.000 1.140 120 W HN 0.603 nan 8.180 nan 0.000 0.523 121 T N -0.271 113.517 114.554 -1.277 0.000 3.051 121 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 121 T C 1.851 176.325 174.700 -0.378 0.000 1.127 121 T CA 1.500 63.015 62.100 -0.974 0.000 1.107 121 T CB -0.782 67.642 68.868 -0.739 0.000 0.898 121 T HN 0.300 nan 8.240 nan 0.000 0.517 122 S N -0.186 115.400 115.700 -0.190 0.000 2.575 122 S HA 0.104 4.573 4.470 -0.000 0.000 0.215 122 S C 0.412 175.084 174.600 0.121 0.000 0.966 122 S CA -0.807 57.395 58.200 0.003 0.000 0.911 122 S CB -0.833 62.421 63.200 0.090 0.000 0.780 122 S HN 0.734 nan 8.310 nan 0.000 0.514 123 H N 0.358 119.397 119.070 -0.052 0.000 2.764 123 H HA 0.327 4.883 4.556 -0.000 0.000 0.341 123 H C 1.413 176.734 175.328 -0.012 0.000 1.072 123 H CA -0.181 55.867 56.048 0.001 0.000 1.444 123 H CB 1.031 30.826 29.762 0.056 0.000 1.458 123 H HN 0.416 nan 8.280 nan 0.000 0.572 124 G N 2.538 111.408 108.800 0.117 0.000 2.939 124 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.210 124 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.210 124 G C 0.084 175.020 174.900 0.061 0.000 1.160 124 G CA 0.082 45.217 45.100 0.058 0.000 0.770 124 G HN 0.816 nan 8.290 nan 0.000 0.543 125 D N -2.203 118.252 120.400 0.091 0.000 2.752 125 D HA 0.485 5.125 4.640 -0.000 0.000 0.313 125 D C -0.241 176.147 176.300 0.146 0.000 1.225 125 D CA -0.493 53.561 54.000 0.090 0.000 0.976 125 D CB 1.426 42.264 40.800 0.063 0.000 1.443 125 D HN -0.048 nan 8.370 nan 0.000 0.515 126 A N -0.199 122.720 122.820 0.166 0.000 2.606 126 A HA 0.226 4.546 4.320 -0.000 0.000 0.290 126 A C 1.413 179.170 177.584 0.289 0.000 1.174 126 A CA -0.436 51.757 52.037 0.260 0.000 0.958 126 A CB -0.196 18.971 19.000 0.279 0.000 1.194 126 A HN 0.430 nan 8.150 nan 0.000 0.526 127 R N -0.308 120.302 120.500 0.183 0.000 2.189 127 R HA -0.093 4.247 4.340 -0.000 0.000 0.223 127 R C 0.752 177.131 176.300 0.131 0.000 1.092 127 R CA 1.423 57.604 56.100 0.135 0.000 0.989 127 R CB 0.048 30.395 30.300 0.079 0.000 0.876 127 R HN 0.467 nan 8.270 nan 0.000 0.457 128 D N -1.186 119.323 120.400 0.181 0.000 2.349 128 D HA -0.023 4.617 4.640 -0.000 0.000 0.214 128 D C -0.579 175.817 176.300 0.160 0.000 1.063 128 D CA -0.128 53.980 54.000 0.180 0.000 0.847 128 D CB 0.325 41.263 40.800 0.229 0.000 0.933 128 D HN 0.086 nan 8.370 nan 0.000 0.513 129 W N 0.722 121.962 121.300 -0.099 0.000 2.627 129 W HA 0.550 5.210 4.660 -0.000 0.000 0.339 129 W C -0.982 175.332 176.519 -0.343 0.000 1.058 129 W CA -0.631 56.463 57.345 -0.418 0.000 1.223 129 W CB 1.208 30.513 29.460 -0.258 0.000 1.389 129 W HN -0.302 nan 8.180 nan 0.000 0.541 130 D N 3.311 122.889 120.400 -1.370 0.000 2.596 130 D HA 0.412 5.052 4.640 -0.000 0.000 0.262 130 D C -1.968 173.261 176.300 -1.786 0.000 1.210 130 D CA -0.636 52.474 54.000 -1.482 0.000 0.873 130 D CB 2.238 42.600 40.800 -0.730 0.000 1.408 130 D HN 0.329 nan 8.370 nan 0.000 0.441 131 I N 1.702 121.455 120.570 -1.362 0.000 2.478 131 I HA 0.465 4.635 4.170 -0.000 0.000 0.287 131 I C -1.695 174.063 176.117 -0.597 0.000 1.042 131 I CA -0.405 60.287 61.300 -1.013 0.000 1.067 131 I CB 1.113 38.393 38.000 -1.200 0.000 1.233 131 I HN 0.326 nan 8.210 nan 0.000 0.431 132 L N 7.133 128.082 121.223 -0.457 0.000 2.354 132 L HA 0.623 4.963 4.340 -0.000 0.000 0.269 132 L C -1.267 175.488 176.870 -0.191 0.000 1.005 132 L CA -1.085 53.592 54.840 -0.272 0.000 0.819 132 L CB 2.012 43.930 42.059 -0.235 0.000 1.311 132 L HN 0.481 nan 8.230 nan 0.000 0.423 133 L N 2.400 123.581 121.223 -0.071 0.000 2.333 133 L HA 0.846 5.186 4.340 -0.000 0.000 0.280 133 L C -0.486 176.443 176.870 0.098 0.000 1.004 133 L CA -0.084 54.777 54.840 0.035 0.000 0.820 133 L CB 1.510 43.646 42.059 0.128 0.000 1.247 133 L HN 0.702 nan 8.230 nan 0.000 0.416 134 A N 4.717 127.618 122.820 0.135 0.000 2.350 134 A HA 0.836 5.156 4.320 -0.000 0.000 0.324 134 A C -1.367 176.364 177.584 0.245 0.000 1.118 134 A CA -0.577 51.570 52.037 0.183 0.000 0.783 134 A CB 1.662 20.768 19.000 0.177 0.000 1.236 134 A HN 0.484 nan 8.150 nan 0.000 0.457 135 V N 1.513 121.515 119.914 0.148 0.000 2.448 135 V HA 0.680 4.799 4.120 -0.000 0.000 0.295 135 V C 0.707 176.688 176.094 -0.188 0.000 1.025 135 V CA -0.167 62.076 62.300 -0.094 0.000 0.859 135 V CB 1.705 33.365 31.823 -0.271 0.000 0.988 135 V HN 1.155 nan 8.190 nan 0.000 0.431 136 G N 2.821 111.275 108.800 -0.577 0.000 2.372 136 G HA2 0.613 4.573 3.960 -0.000 0.000 0.323 136 G HA3 0.613 4.573 3.960 -0.000 0.000 0.323 136 G C -0.846 173.572 174.900 -0.803 0.000 1.152 136 G CA -0.347 43.956 45.100 -1.327 0.000 0.906 136 G HN 0.707 nan 8.290 nan 0.000 0.460 137 E N 1.932 121.754 120.200 -0.630 0.000 2.151 137 E HA 0.448 4.798 4.350 -0.000 0.000 0.275 137 E C -0.749 175.616 176.600 -0.391 0.000 0.936 137 E CA -0.591 55.565 56.400 -0.406 0.000 0.777 137 E CB 1.670 31.206 29.700 -0.273 0.000 1.108 137 E HN 0.202 nan 8.360 nan 0.000 0.401 138 V N 4.440 124.166 119.914 -0.314 0.000 2.383 138 V HA 0.327 4.447 4.120 -0.000 0.000 0.275 138 V C 0.109 176.086 176.094 -0.195 0.000 1.036 138 V CA -0.418 61.713 62.300 -0.281 0.000 0.889 138 V CB 1.178 32.862 31.823 -0.232 0.000 0.985 138 V HN 0.832 nan 8.190 nan 0.000 0.459 139 T N 2.403 116.847 114.554 -0.183 0.000 2.841 139 T HA 0.627 4.977 4.350 -0.000 0.000 0.283 139 T C -0.720 173.921 174.700 -0.099 0.000 1.000 139 T CA -1.007 61.020 62.100 -0.122 0.000 0.977 139 T CB 1.851 70.656 68.868 -0.105 0.000 0.979 139 T HN 0.491 nan 8.240 nan 0.000 0.446 140 K N 1.476 121.833 120.400 -0.072 0.000 2.156 140 K HA 0.716 5.036 4.320 -0.000 0.000 0.254 140 K C -0.614 175.963 176.600 -0.039 0.000 0.950 140 K CA -0.833 55.423 56.287 -0.051 0.000 0.849 140 K CB 1.998 34.470 32.500 -0.046 0.000 1.100 140 K HN 0.633 nan 8.250 nan 0.000 0.434 141 S N -0.024 115.660 115.700 -0.028 0.000 2.541 141 S HA 0.283 4.753 4.470 -0.000 0.000 0.280 141 S C 0.094 174.684 174.600 -0.018 0.000 1.112 141 S CA -0.615 57.572 58.200 -0.022 0.000 0.925 141 S CB 1.330 64.520 63.200 -0.017 0.000 1.067 141 S HN 0.711 nan 8.310 nan 0.000 0.479 142 T N 0.466 115.010 114.554 -0.017 0.000 3.085 142 T HA 0.436 4.786 4.350 -0.000 0.000 0.264 142 T C 0.589 175.281 174.700 -0.013 0.000 1.019 142 T CA 0.224 62.315 62.100 -0.016 0.000 0.910 142 T CB 0.069 68.927 68.868 -0.017 0.000 1.059 142 T HN 0.784 nan 8.240 nan 0.000 0.542 143 A N 0.949 123.762 122.820 -0.012 0.000 2.507 143 A HA 0.542 4.862 4.320 -0.000 0.000 0.281 143 A C 1.563 179.142 177.584 -0.008 0.000 1.154 143 A CA 0.387 52.418 52.037 -0.010 0.000 0.828 143 A CB -1.290 17.705 19.000 -0.009 0.000 1.069 143 A HN 1.380 nan 8.150 nan 0.000 0.522 144 G N 0.839 109.633 108.800 -0.009 0.000 2.559 144 G HA2 0.313 4.273 3.960 -0.000 0.000 0.202 144 G HA3 0.313 4.273 3.960 -0.000 0.000 0.202 144 G C 1.270 176.164 174.900 -0.010 0.000 0.992 144 G CA 0.705 45.800 45.100 -0.008 0.000 0.764 144 G HN 2.444 nan 8.290 nan 0.000 0.525 145 G N 0.153 108.947 108.800 -0.011 0.000 2.143 145 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.249 145 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.249 145 G C 0.110 175.002 174.900 -0.014 0.000 0.981 145 G CA 1.359 46.452 45.100 -0.011 0.000 0.665 145 G HN 1.747 nan 8.290 nan 0.000 0.528 146 K N -0.230 120.161 120.400 -0.015 0.000 2.542 146 K HA 0.622 4.942 4.320 -0.000 0.000 0.259 146 K C -0.412 176.176 176.600 -0.019 0.000 0.932 146 K CA -1.275 55.001 56.287 -0.019 0.000 0.820 146 K CB 1.749 34.237 32.500 -0.020 0.000 1.345 146 K HN 0.061 nan 8.250 nan 0.000 0.432 147 I N 2.937 123.493 120.570 -0.024 0.000 2.618 147 I HA 0.088 4.258 4.170 -0.000 0.000 0.284 147 I C 0.811 176.916 176.117 -0.020 0.000 1.146 147 I CA 0.376 61.662 61.300 -0.024 0.000 1.425 147 I CB 0.110 38.092 38.000 -0.031 0.000 1.383 147 I HN 0.836 nan 8.210 nan 0.000 0.562 148 T N 2.555 117.103 114.554 -0.010 0.000 2.907 148 T HA 0.934 5.284 4.350 -0.000 0.000 0.290 148 T C -0.517 174.194 174.700 0.017 0.000 1.066 148 T CA -0.870 61.236 62.100 0.010 0.000 1.012 148 T CB 2.500 71.377 68.868 0.015 0.000 1.184 148 T HN 0.807 nan 8.240 nan 0.000 0.522 149 A N 0.873 123.733 122.820 0.066 0.000 2.572 149 A HA 0.914 5.234 4.320 -0.000 0.000 0.295 149 A C -0.346 177.260 177.584 0.037 0.000 1.072 149 A CA -0.653 51.397 52.037 0.021 0.000 0.691 149 A CB 1.533 20.538 19.000 0.008 0.000 1.291 149 A HN 1.766 nan 8.150 nan 0.000 0.404 150 S N 0.087 115.709 115.700 -0.131 0.000 2.595 150 S HA 0.856 5.325 4.470 -0.000 0.000 0.281 150 S C -1.014 173.354 174.600 -0.388 0.000 1.117 150 S CA -0.611 57.476 58.200 -0.187 0.000 0.873 150 S CB 1.245 64.415 63.200 -0.049 0.000 1.108 150 S HN 0.759 nan 8.310 nan 0.000 0.477 151 I N 1.344 121.650 120.570 -0.440 0.000 2.447 151 I HA 0.479 4.649 4.170 -0.000 0.000 0.287 151 I C -0.695 175.203 176.117 -0.366 0.000 1.023 151 I CA -0.794 60.209 61.300 -0.494 0.000 1.083 151 I CB 2.078 39.724 38.000 -0.591 0.000 1.245 151 I HN 0.458 nan 8.210 nan 0.000 0.434 152 K N 6.227 126.382 120.400 -0.408 0.000 2.265 152 K HA 0.339 4.659 4.320 -0.000 0.000 0.267 152 K C -1.643 174.737 176.600 -0.367 0.000 0.994 152 K CA -0.484 55.657 56.287 -0.243 0.000 0.860 152 K CB 0.925 33.332 32.500 -0.155 0.000 1.099 152 K HN 0.425 nan 8.250 nan 0.000 0.448 153 W N 2.257 123.538 121.300 -0.033 0.000 2.361 153 W HA 0.417 5.077 4.660 -0.000 0.000 0.309 153 W C 1.082 177.585 176.519 -0.026 0.000 1.122 153 W CA -0.545 56.782 57.345 -0.029 0.000 1.208 153 W CB 1.392 30.847 29.460 -0.007 0.000 1.246 153 W HN 0.689 nan 8.180 nan 0.000 0.490 154 G N 1.464 110.368 108.800 0.174 0.000 2.537 154 G HA2 0.324 4.284 3.960 -0.000 0.000 0.273 154 G HA3 0.324 4.284 3.960 -0.000 0.000 0.273 154 G C -0.317 174.660 174.900 0.127 0.000 1.189 154 G CA -0.671 44.491 45.100 0.104 0.000 0.881 154 G HN 0.389 nan 8.290 nan 0.000 0.535 155 S N 1.318 117.064 115.700 0.077 0.000 2.562 155 S HA 0.282 4.752 4.470 -0.000 0.000 0.281 155 S C -1.914 172.718 174.600 0.053 0.000 1.333 155 S CA -0.489 57.743 58.200 0.054 0.000 1.052 155 S CB 0.926 64.144 63.200 0.031 0.000 0.884 155 S HN 0.401 nan 8.310 nan 0.000 0.506 156 P HA 0.247 nan 4.420 nan 0.000 0.271 156 P C -1.181 176.124 177.300 0.008 0.000 1.218 156 P CA -0.333 62.775 63.100 0.014 0.000 0.780 156 P CB 0.431 32.108 31.700 -0.038 0.000 0.901 157 V N 1.909 121.839 119.914 0.027 0.000 2.495 157 V HA 0.313 4.433 4.120 -0.000 0.000 0.298 157 V C 0.421 176.516 176.094 0.001 0.000 1.031 157 V CA -0.601 61.722 62.300 0.039 0.000 0.871 157 V CB 1.726 33.616 31.823 0.112 0.000 0.988 157 V HN 0.603 nan 8.190 nan 0.000 0.432 158 S N 4.343 120.021 115.700 -0.036 0.000 2.549 158 S HA 0.360 4.830 4.470 -0.000 0.000 0.279 158 S C 0.515 175.121 174.600 0.009 0.000 1.321 158 S CA -0.411 57.733 58.200 -0.095 0.000 1.054 158 S CB 0.271 63.386 63.200 -0.143 0.000 0.899 158 S HN 0.604 nan 8.310 nan 0.000 0.497 159 L N 4.943 126.180 121.223 0.023 0.000 2.700 159 L HA 0.279 4.619 4.340 -0.000 0.000 0.234 159 L C 2.130 179.174 176.870 0.289 0.000 1.156 159 L CA -0.116 54.905 54.840 0.302 0.000 0.946 159 L CB -0.266 42.004 42.059 0.353 0.000 1.216 159 L HN 0.726 nan 8.230 nan 0.000 0.493 160 K N 1.827 122.254 120.400 0.046 0.000 2.152 160 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 160 K C 1.852 178.576 176.600 0.207 0.000 1.048 160 K CA 1.783 58.145 56.287 0.124 0.000 0.933 160 K CB 0.176 32.634 32.500 -0.069 0.000 0.721 160 K HN 0.558 nan 8.250 nan 0.000 0.447 161 E N -0.527 119.646 120.200 -0.045 0.000 2.333 161 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 161 E C 0.869 177.375 176.600 -0.158 0.000 1.007 161 E CA 0.935 57.221 56.400 -0.190 0.000 0.845 161 E CB -0.281 29.157 29.700 -0.436 0.000 0.766 161 E HN 0.386 nan 8.360 nan 0.000 0.507 162 F N 0.105 120.307 119.950 0.420 0.000 2.693 162 F HA 0.227 4.754 4.527 -0.000 0.000 0.303 162 F C 0.312 176.533 175.800 0.701 0.000 1.097 162 F CA -0.663 57.645 58.000 0.513 0.000 1.330 162 F CB 0.347 39.698 39.000 0.585 0.000 1.067 162 F HN -0.035 nan 8.300 nan 0.000 0.565 163 F N 5.002 125.271 119.950 0.532 0.000 2.361 163 F HA 0.459 4.986 4.527 -0.000 0.000 0.364 163 F C -2.255 173.675 175.800 0.216 0.000 1.120 163 F CA -4.353 53.899 58.000 0.419 0.000 1.102 163 F CB 0.310 39.643 39.000 0.555 0.000 1.183 163 F HN -0.208 nan 8.300 nan 0.000 0.476 164 P HA 0.192 nan 4.420 nan 0.000 0.275 164 P C -0.094 176.983 177.300 -0.371 0.000 1.228 164 P CA -0.156 62.861 63.100 -0.139 0.000 0.786 164 P CB 1.311 32.947 31.700 -0.106 0.000 0.927 165 A N 2.565 125.268 122.820 -0.195 0.000 2.067 165 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 165 A C 0.816 178.287 177.584 -0.187 0.000 1.158 165 A CA 1.168 53.100 52.037 -0.173 0.000 0.661 165 A CB -0.389 18.596 19.000 -0.026 0.000 0.801 165 A HN 0.690 nan 8.150 nan 0.000 0.452 166 E N -1.562 118.512 120.200 -0.210 0.000 2.343 166 E HA 0.660 5.009 4.350 -0.000 0.000 0.270 166 E C -1.407 175.054 176.600 -0.233 0.000 0.895 166 E CA -0.490 55.756 56.400 -0.256 0.000 0.767 166 E CB 1.918 31.464 29.700 -0.256 0.000 1.248 166 E HN 0.271 nan 8.360 nan 0.000 0.440 167 M N 2.181 121.645 119.600 -0.227 0.000 2.263 167 M HA 0.206 4.686 4.480 -0.000 0.000 0.295 167 M C -0.284 175.911 176.300 -0.175 0.000 1.028 167 M CA -0.164 55.030 55.300 -0.177 0.000 0.921 167 M CB 1.938 34.446 32.600 -0.153 0.000 1.601 167 M HN 0.588 nan 8.290 nan 0.000 0.440 168 E N 1.032 121.151 120.200 -0.135 0.000 3.425 168 E HA -0.268 4.082 4.350 -0.000 0.000 0.407 168 E C 0.720 177.233 176.600 -0.144 0.000 1.572 168 E CA 1.640 57.964 56.400 -0.127 0.000 1.556 168 E CB -1.131 28.476 29.700 -0.155 0.000 1.586 168 E HN 0.937 nan 8.360 nan 0.000 0.451 169 G N 0.829 109.545 108.800 -0.139 0.000 4.084 169 G HA2 0.504 4.463 3.960 -0.000 0.000 0.293 169 G HA3 0.504 4.463 3.960 -0.000 0.000 0.293 169 G C -0.417 174.404 174.900 -0.132 0.000 1.303 169 G CA -0.019 45.008 45.100 -0.121 0.000 1.289 169 G HN 0.153 nan 8.290 nan 0.000 0.609 170 M N -0.224 119.250 119.600 -0.210 0.000 2.578 170 M HA 0.394 4.874 4.480 -0.000 0.000 0.276 170 M C -1.395 174.701 176.300 -0.341 0.000 1.245 170 M CA -0.927 54.267 55.300 -0.176 0.000 0.871 170 M CB 2.095 34.637 32.600 -0.098 0.000 1.722 170 M HN -0.045 nan 8.290 nan 0.000 0.473 171 H N 1.158 120.201 119.070 -0.045 0.000 2.488 171 H HA 0.403 4.959 4.556 -0.000 0.000 0.322 171 H C -0.347 174.950 175.328 -0.052 0.000 1.078 171 H CA -0.269 55.743 56.048 -0.061 0.000 1.260 171 H CB 1.557 31.290 29.762 -0.047 0.000 1.425 171 H HN 0.763 nan 8.280 nan 0.000 0.471 172 T N 0.023 114.541 114.554 -0.060 0.000 2.868 172 T HA 0.042 4.392 4.350 -0.000 0.000 0.292 172 T C 0.909 175.610 174.700 0.002 0.000 1.028 172 T CA -0.458 61.588 62.100 -0.090 0.000 1.059 172 T CB 1.733 70.251 68.868 -0.582 0.000 0.991 172 T HN 0.540 nan 8.240 nan 0.000 0.531 173 N N 0.673 119.442 118.700 0.116 0.000 2.905 173 N HA 0.189 4.929 4.740 -0.000 0.000 0.237 173 N C -0.142 175.368 175.510 -0.001 0.000 1.017 173 N CA 0.226 53.324 53.050 0.078 0.000 1.127 173 N CB 0.764 39.269 38.487 0.031 0.000 1.608 173 N HN 0.795 nan 8.380 nan 0.000 0.522 174 Q N -1.279 118.439 119.800 -0.137 0.000 2.553 174 Q HA 0.460 4.800 4.340 -0.000 0.000 0.293 174 Q C -1.625 174.122 176.000 -0.423 0.000 1.038 174 Q CA -0.969 54.263 55.803 -0.952 0.000 0.777 174 Q CB 2.854 31.042 28.738 -0.917 0.000 1.487 174 Q HN 0.286 nan 8.270 nan 0.000 0.426 175 F N -1.184 118.244 119.950 -0.869 0.000 2.645 175 F HA 0.835 5.362 4.527 0.000 0.000 0.310 175 F C -2.167 173.431 175.800 -0.336 0.000 1.102 175 F CA -1.007 56.747 58.000 -0.410 0.000 0.952 175 F CB 1.336 40.092 39.000 -0.408 0.000 1.326 175 F HN 0.389 nan 8.300 nan 0.000 0.456 176 L N 1.514 122.490 121.223 -0.411 0.000 2.469 176 L HA 0.722 5.062 4.340 -0.000 0.000 0.256 176 L C 0.358 177.069 176.870 -0.265 0.000 1.006 176 L CA -1.248 53.268 54.840 -0.539 0.000 0.832 176 L CB 2.160 43.757 42.059 -0.770 0.000 1.421 176 L HN 1.076 nan 8.230 nan 0.000 0.410 177 G N -0.360 108.264 108.800 -0.294 0.000 2.664 177 G HA2 0.299 4.259 3.960 -0.000 0.000 0.242 177 G HA3 0.299 4.259 3.960 -0.000 0.000 0.242 177 G C 0.889 175.760 174.900 -0.048 0.000 1.225 177 G CA 0.239 45.250 45.100 -0.148 0.000 0.849 177 G HN 0.881 nan 8.290 nan 0.000 0.581 178 G N -0.825 108.018 108.800 0.071 0.000 2.848 178 G HA2 0.520 4.480 3.960 -0.000 0.000 0.208 178 G HA3 0.520 4.480 3.960 -0.000 0.000 0.208 178 G C 0.873 175.799 174.900 0.042 0.000 1.152 178 G CA 1.222 46.376 45.100 0.091 0.000 0.789 178 G HN 2.138 nan 8.290 nan 0.000 0.531 179 A N -2.595 120.237 122.820 0.020 0.000 2.697 179 A HA 0.462 4.782 4.320 -0.000 0.000 0.677 179 A C 1.394 179.012 177.584 0.056 0.000 0.304 179 A CA 0.628 52.667 52.037 0.003 0.000 0.117 179 A CB -1.101 17.863 19.000 -0.059 0.000 3.916 179 A HN 2.423 nan 8.150 nan 0.000 0.544 180 G N -1.867 106.966 108.800 0.056 0.000 2.527 180 G HA2 0.234 4.194 3.960 -0.000 0.000 0.268 180 G HA3 0.234 4.194 3.960 -0.000 0.000 0.268 180 G C 0.279 175.267 174.900 0.146 0.000 1.175 180 G CA 0.616 45.770 45.100 0.091 0.000 0.962 180 G HN 2.366 nan 8.290 nan 0.000 0.560 181 V N 1.041 121.052 119.914 0.162 0.000 2.495 181 V HA 0.772 4.892 4.120 -0.000 0.000 0.298 181 V C 0.912 177.119 176.094 0.187 0.000 1.031 181 V CA 0.308 62.717 62.300 0.182 0.000 0.871 181 V CB 0.763 32.685 31.823 0.165 0.000 0.988 181 V HN 1.860 nan 8.190 nan 0.000 0.432 182 A N 5.481 128.414 122.820 0.190 0.000 2.869 182 A HA 1.016 5.335 4.320 -0.000 0.000 0.244 182 A C -0.337 177.284 177.584 0.061 0.000 1.374 182 A CA -0.599 51.524 52.037 0.143 0.000 0.913 182 A CB 1.107 20.203 19.000 0.160 0.000 1.589 182 A HN 1.074 nan 8.150 nan 0.000 0.485 183 I N -3.383 117.184 120.570 -0.006 0.000 3.095 183 I HA 0.706 4.875 4.170 -0.000 0.000 0.310 183 I C -1.303 174.770 176.117 -0.072 0.000 1.196 183 I CA -1.147 60.145 61.300 -0.014 0.000 0.985 183 I CB 1.960 39.967 38.000 0.011 0.000 1.250 183 I HN 0.262 nan 8.210 nan 0.000 0.446 184 V N 3.153 123.033 119.914 -0.056 0.000 2.407 184 V HA 0.651 4.771 4.120 -0.000 0.000 0.278 184 V C 0.903 176.961 176.094 -0.061 0.000 1.037 184 V CA -0.220 62.031 62.300 -0.083 0.000 0.900 184 V CB 1.020 32.803 31.823 -0.068 0.000 0.983 184 V HN 0.933 nan 8.190 nan 0.000 0.459 185 A N 3.722 126.496 122.820 -0.076 0.000 2.296 185 A HA 0.433 4.753 4.320 -0.000 0.000 0.264 185 A C 1.445 178.991 177.584 -0.063 0.000 1.097 185 A CA 0.285 52.282 52.037 -0.067 0.000 0.811 185 A CB 0.312 19.260 19.000 -0.087 0.000 1.072 185 A HN 1.144 nan 8.150 nan 0.000 0.495 186 S N 0.134 115.799 115.700 -0.058 0.000 2.547 186 S HA -0.133 4.336 4.470 -0.000 0.000 0.235 186 S C 0.895 175.460 174.600 -0.059 0.000 0.980 186 S CA 0.999 59.167 58.200 -0.054 0.000 0.941 186 S CB -0.512 62.656 63.200 -0.053 0.000 0.763 186 S HN 0.874 nan 8.310 nan 0.000 0.532 187 N N 0.971 119.630 118.700 -0.069 0.000 2.322 187 N HA 0.250 4.990 4.740 -0.000 0.000 0.194 187 N C 1.197 176.662 175.510 -0.075 0.000 1.126 187 N CA 0.564 53.572 53.050 -0.069 0.000 0.845 187 N CB -0.293 38.149 38.487 -0.075 0.000 0.976 187 N HN 0.517 nan 8.380 nan 0.000 0.475 188 G N -0.285 108.467 108.800 -0.080 0.000 2.217 188 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 188 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 188 G C -0.263 174.560 174.900 -0.129 0.000 0.990 188 G CA -0.101 44.944 45.100 -0.093 0.000 0.627 188 G HN 0.473 nan 8.290 nan 0.000 0.522 189 N N 0.809 119.433 118.700 -0.127 0.000 2.492 189 N HA 0.414 5.154 4.740 -0.000 0.000 0.260 189 N C 0.749 176.145 175.510 -0.189 0.000 1.215 189 N CA 0.035 52.992 53.050 -0.155 0.000 0.923 189 N CB 0.534 38.964 38.487 -0.094 0.000 1.092 189 N HN 0.393 nan 8.380 nan 0.000 0.448 190 L N 1.436 122.483 121.223 -0.294 0.000 2.367 190 L HA 0.262 4.602 4.340 -0.000 0.000 0.275 190 L C -0.194 176.585 176.870 -0.151 0.000 1.129 190 L CA -0.459 54.196 54.840 -0.308 0.000 0.839 190 L CB 0.507 42.292 42.059 -0.457 0.000 1.133 190 L HN 0.093 nan 8.230 nan 0.000 0.453 191 V N 4.348 124.187 119.914 -0.123 0.000 2.409 191 V HA 0.313 4.433 4.120 -0.000 0.000 0.290 191 V C -0.780 175.338 176.094 0.039 0.000 1.017 191 V CA -0.532 61.787 62.300 0.031 0.000 0.841 191 V CB 1.235 33.066 31.823 0.013 0.000 1.003 191 V HN 0.433 nan 8.190 nan 0.000 0.426 192 Y N 6.434 126.929 120.300 0.324 0.000 2.331 192 Y HA 0.459 5.009 4.550 -0.000 0.000 0.338 192 Y C -2.081 174.011 175.900 0.319 0.000 0.976 192 Y CA -2.684 55.599 58.100 0.306 0.000 1.137 192 Y CB 2.350 41.022 38.460 0.353 0.000 1.172 192 Y HN 0.439 nan 8.280 nan 0.000 0.478 193 P HA 0.117 nan 4.420 nan 0.000 0.281 193 P C -0.965 176.561 177.300 0.377 0.000 1.252 193 P CA -0.090 63.250 63.100 0.400 0.000 0.778 193 P CB 1.228 33.128 31.700 0.334 0.000 0.895 194 V N 1.178 121.316 119.914 0.373 0.000 3.001 194 V HA 0.641 4.761 4.120 -0.000 0.000 0.314 194 V C -0.462 175.779 176.094 0.244 0.000 1.099 194 V CA -1.149 61.322 62.300 0.286 0.000 0.989 194 V CB 1.821 33.836 31.823 0.319 0.000 1.040 194 V HN 0.563 nan 8.190 nan 0.000 0.434 195 Q N 1.634 121.544 119.800 0.184 0.000 2.293 195 Q HA 0.848 5.187 4.340 -0.000 0.000 0.261 195 Q C -1.350 174.751 176.000 0.168 0.000 0.960 195 Q CA -0.785 55.120 55.803 0.170 0.000 0.882 195 Q CB 2.172 31.069 28.738 0.264 0.000 1.275 195 Q HN 0.613 nan 8.270 nan 0.000 0.445 196 V N 1.769 121.592 119.914 -0.151 0.000 2.823 196 V HA 0.579 4.699 4.120 -0.000 0.000 0.312 196 V C -0.086 175.712 176.094 -0.493 0.000 1.072 196 V CA -0.668 61.450 62.300 -0.304 0.000 0.937 196 V CB 2.092 33.499 31.823 -0.693 0.000 1.013 196 V HN 1.033 nan 8.190 nan 0.000 0.430 197 T N 0.480 114.956 114.554 -0.130 0.000 2.940 197 T HA 0.691 5.041 4.350 -0.000 0.000 0.288 197 T C -0.461 174.313 174.700 0.122 0.000 1.033 197 T CA -0.853 61.196 62.100 -0.086 0.000 1.033 197 T CB 1.976 70.722 68.868 -0.203 0.000 1.079 197 T HN 0.778 nan 8.240 nan 0.000 0.496 198 N N 0.197 119.017 118.700 0.199 0.000 2.741 198 N HA 0.404 5.144 4.740 -0.000 0.000 0.310 198 N C 0.513 176.062 175.510 0.064 0.000 1.295 198 N CA -1.200 51.956 53.050 0.177 0.000 0.893 198 N CB 0.542 39.164 38.487 0.225 0.000 1.247 198 N HN 0.331 nan 8.380 nan 0.000 0.596 199 K N -0.083 120.353 120.400 0.060 0.000 2.439 199 K HA 0.051 4.371 4.320 -0.000 0.000 0.197 199 K C 0.438 177.034 176.600 -0.007 0.000 1.041 199 K CA 0.648 56.952 56.287 0.028 0.000 0.970 199 K CB -0.134 32.388 32.500 0.036 0.000 0.773 199 K HN 0.580 nan 8.250 nan 0.000 0.479 200 K N 0.574 120.956 120.400 -0.029 0.000 2.444 200 K HA 0.066 4.386 4.320 -0.000 0.000 0.193 200 K C -0.034 176.518 176.600 -0.080 0.000 1.024 200 K CA -0.002 56.243 56.287 -0.070 0.000 1.077 200 K CB 0.243 32.668 32.500 -0.125 0.000 0.833 200 K HN 0.022 nan 8.250 nan 0.000 0.517 201 K N 0.603 120.965 120.400 -0.064 0.000 3.281 201 K HA -0.212 4.108 4.320 -0.000 0.000 0.295 201 K C -0.678 175.862 176.600 -0.101 0.000 1.233 201 K CA 0.732 56.965 56.287 -0.090 0.000 0.866 201 K CB -1.608 30.845 32.500 -0.079 0.000 1.265 201 K HN 0.356 nan 8.250 nan 0.000 0.482 202 Q N 0.569 120.314 119.800 -0.092 0.000 2.306 202 Q HA 0.511 4.850 4.340 -0.000 0.000 0.241 202 Q C -0.156 175.911 176.000 0.112 0.000 0.948 202 Q CA -0.466 55.298 55.803 -0.065 0.000 0.886 202 Q CB 2.222 30.736 28.738 -0.373 0.000 1.227 202 Q HN 0.130 nan 8.270 nan 0.000 0.457 203 V N 3.081 123.106 119.914 0.185 0.000 2.667 203 V HA 0.800 4.920 4.120 -0.000 0.000 0.308 203 V C -1.459 174.875 176.094 0.399 0.000 1.048 203 V CA -0.441 61.939 62.300 0.133 0.000 0.928 203 V CB 0.995 32.825 31.823 0.011 0.000 1.004 203 V HN 0.720 nan 8.190 nan 0.000 0.444 204 F N 2.072 122.132 119.950 0.183 0.000 2.741 204 F HA 0.809 5.336 4.527 -0.000 0.000 0.313 204 F C -0.573 175.265 175.800 0.063 0.000 1.153 204 F CA -0.853 57.194 58.000 0.078 0.000 0.931 204 F CB 1.268 40.237 39.000 -0.051 0.000 1.335 204 F HN 0.312 nan 8.300 nan 0.000 0.460 205 S N 1.216 116.974 115.700 0.097 0.000 2.549 205 S HA 0.743 5.213 4.470 -0.000 0.000 0.297 205 S C -0.868 173.757 174.600 0.042 0.000 1.115 205 S CA -0.910 57.358 58.200 0.115 0.000 1.059 205 S CB 1.592 64.954 63.200 0.269 0.000 1.046 205 S HN 0.470 nan 8.310 nan 0.000 0.506 206 K N 1.007 121.611 120.400 0.340 0.000 2.495 206 K HA 0.508 4.827 4.320 -0.000 0.000 0.268 206 K C -1.301 175.747 176.600 0.746 0.000 1.008 206 K CA -0.782 55.820 56.287 0.525 0.000 0.882 206 K CB 1.312 34.146 32.500 0.557 0.000 1.443 206 K HN 0.363 nan 8.250 nan 0.000 0.447 207 I N 1.738 122.777 120.570 0.782 0.000 2.331 207 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 207 I C -0.379 176.076 176.117 0.563 0.000 0.998 207 I CA -0.558 61.084 61.300 0.571 0.000 1.267 207 I CB 0.284 38.523 38.000 0.398 0.000 1.386 207 I HN 0.474 nan 8.210 nan 0.000 0.476 208 F N 9.278 129.387 119.950 0.264 0.000 2.460 208 F HA 0.537 5.064 4.527 -0.000 0.000 0.341 208 F C -1.002 175.044 175.800 0.409 0.000 1.130 208 F CA -0.655 57.341 58.000 -0.006 0.000 0.962 208 F CB 0.915 39.794 39.000 -0.202 0.000 1.171 208 F HN 0.442 nan 8.300 nan 0.000 0.436 209 Y N 2.411 122.654 120.300 -0.094 0.000 2.609 209 Y HA 0.760 5.310 4.550 -0.000 0.000 0.342 209 Y C -1.391 174.147 175.900 -0.603 0.000 1.058 209 Y CA -1.722 56.284 58.100 -0.157 0.000 1.055 209 Y CB 1.451 39.838 38.460 -0.122 0.000 1.292 209 Y HN 0.373 nan 8.280 nan 0.000 0.476 210 S N 0.274 115.460 115.700 -0.855 0.000 2.557 210 S HA 0.394 4.864 4.470 -0.000 0.000 0.291 210 S C -0.575 173.659 174.600 -0.611 0.000 1.116 210 S CA -0.633 56.841 58.200 -1.211 0.000 0.992 210 S CB 1.329 63.225 63.200 -2.172 0.000 1.028 210 S HN 0.847 nan 8.310 nan 0.000 0.484 211 E N 1.712 121.636 120.200 -0.460 0.000 2.474 211 E HA 0.086 4.436 4.350 -0.000 0.000 0.195 211 E C -0.537 175.908 176.600 -0.258 0.000 1.039 211 E CA 0.142 56.391 56.400 -0.252 0.000 0.881 211 E CB 0.282 29.894 29.700 -0.146 0.000 0.970 211 E HN 0.711 nan 8.360 nan 0.000 0.486 212 D N -0.053 120.137 120.400 -0.351 0.000 2.895 212 D HA 0.019 4.659 4.640 -0.000 0.000 0.350 212 D C -0.436 175.720 176.300 -0.241 0.000 1.389 212 D CA -0.371 53.480 54.000 -0.249 0.000 0.812 212 D CB 0.024 40.699 40.800 -0.207 0.000 1.164 212 D HN -0.183 nan 8.370 nan 0.000 0.455 213 E N -0.194 119.836 120.200 -0.284 0.000 2.637 213 E HA -0.187 4.162 4.350 -0.000 0.000 0.265 213 E C 1.157 177.663 176.600 -0.157 0.000 1.073 213 E CA 1.076 57.352 56.400 -0.208 0.000 0.778 213 E CB -2.154 27.528 29.700 -0.031 0.000 1.362 213 E HN 0.917 nan 8.360 nan 0.000 0.413 214 G N -0.721 107.837 108.800 -0.404 0.000 2.176 214 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.232 214 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.232 214 G C 0.999 175.924 174.900 0.043 0.000 0.986 214 G CA 0.541 45.557 45.100 -0.139 0.000 0.643 214 G HN 0.183 nan 8.290 nan 0.000 0.522 215 K N 0.701 121.029 120.400 -0.120 0.000 2.025 215 K HA 0.094 4.414 4.320 -0.000 0.000 0.207 215 K C 1.653 178.225 176.600 -0.047 0.000 1.049 215 K CA 1.867 58.160 56.287 0.009 0.000 0.933 215 K CB -0.684 31.806 32.500 -0.015 0.000 0.714 215 K HN 0.918 nan 8.250 nan 0.000 0.438 216 T N -2.810 111.478 114.554 -0.443 0.000 2.916 216 T HA 0.609 4.959 4.350 -0.000 0.000 0.292 216 T C -1.090 172.808 174.700 -1.336 0.000 1.055 216 T CA -0.958 60.650 62.100 -0.820 0.000 1.009 216 T CB 1.597 70.233 68.868 -0.387 0.000 1.118 216 T HN 0.106 nan 8.240 nan 0.000 0.497 217 W N 0.393 120.763 121.300 -1.551 0.000 2.936 217 W HA 0.710 5.369 4.660 -0.000 0.000 0.338 217 W C -0.370 175.681 176.519 -0.780 0.000 1.121 217 W CA -0.805 55.840 57.345 -1.167 0.000 1.209 217 W CB 2.201 30.865 29.460 -1.326 0.000 1.420 217 W HN 0.683 nan 8.180 nan 0.000 0.516 218 K N 1.360 121.371 120.400 -0.648 0.000 2.435 218 K HA 0.645 4.964 4.320 -0.000 0.000 0.251 218 K C -1.509 174.918 176.600 -0.289 0.000 0.954 218 K CA -1.047 55.004 56.287 -0.394 0.000 0.820 218 K CB 2.212 34.309 32.500 -0.672 0.000 1.292 218 K HN 0.169 nan 8.250 nan 0.000 0.436 219 F N 0.572 120.628 119.950 0.176 0.000 2.421 219 F HA 0.342 4.869 4.527 -0.000 0.000 0.337 219 F C 1.192 177.230 175.800 0.396 0.000 1.105 219 F CA -0.277 57.935 58.000 0.353 0.000 1.049 219 F CB 1.559 40.742 39.000 0.305 0.000 1.139 219 F HN 0.603 nan 8.300 nan 0.000 0.479 220 G N 2.717 111.925 108.800 0.680 0.000 2.432 220 G HA2 0.079 4.038 3.960 -0.000 0.000 0.239 220 G HA3 0.079 4.038 3.960 -0.000 0.000 0.239 220 G C 0.688 175.848 174.900 0.433 0.000 1.291 220 G CA -0.495 44.928 45.100 0.538 0.000 0.863 220 G HN 0.757 nan 8.290 nan 0.000 0.560 221 K N 1.634 122.217 120.400 0.306 0.000 2.148 221 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 221 K C 1.771 178.441 176.600 0.117 0.000 1.050 221 K CA 0.777 57.179 56.287 0.192 0.000 0.942 221 K CB -0.026 32.555 32.500 0.135 0.000 0.724 221 K HN 0.503 nan 8.250 nan 0.000 0.446 222 G N 1.679 110.583 108.800 0.172 0.000 2.621 222 G HA2 0.313 4.273 3.960 -0.000 0.000 0.271 222 G HA3 0.313 4.273 3.960 -0.000 0.000 0.271 222 G C -0.269 174.348 174.900 -0.472 0.000 1.236 222 G CA -0.508 44.574 45.100 -0.029 0.000 0.958 222 G HN 0.312 nan 8.290 nan 0.000 0.512 223 R N -2.137 117.725 120.500 -1.063 0.000 2.747 223 R HA 0.613 4.952 4.340 -0.000 0.000 0.272 223 R C -0.129 175.164 176.300 -1.679 0.000 1.032 223 R CA -0.499 54.724 56.100 -1.461 0.000 0.896 223 R CB 0.637 30.531 30.300 -0.677 0.000 1.253 223 R HN 0.712 nan 8.270 nan 0.000 0.461 224 S N 0.589 115.375 115.700 -1.524 0.000 2.641 224 S HA 0.605 5.075 4.470 -0.000 0.000 0.261 224 S C 0.707 174.978 174.600 -0.547 0.000 1.257 224 S CA -0.380 57.211 58.200 -1.015 0.000 0.983 224 S CB 0.738 63.653 63.200 -0.476 0.000 0.990 224 S HN 0.856 nan 8.310 nan 0.000 0.572 225 A N 0.110 122.808 122.820 -0.204 0.000 2.429 225 A HA 0.449 4.769 4.320 -0.000 0.000 0.242 225 A C -0.003 177.491 177.584 -0.149 0.000 1.088 225 A CA -0.435 51.509 52.037 -0.155 0.000 0.784 225 A CB -0.655 18.406 19.000 0.102 0.000 1.038 225 A HN 0.675 nan 8.150 nan 0.000 0.501 226 F N -0.219 119.767 119.950 0.061 0.000 2.459 226 F HA 0.431 4.958 4.527 -0.000 0.000 0.346 226 F C 1.665 177.539 175.800 0.123 0.000 1.128 226 F CA 1.350 59.415 58.000 0.108 0.000 1.268 226 F CB 0.812 39.850 39.000 0.064 0.000 1.161 226 F HN 0.893 nan 8.300 nan 0.000 0.583 227 G N 0.653 109.663 108.800 0.350 0.000 2.176 227 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.232 227 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.232 227 G C -0.483 174.546 174.900 0.215 0.000 0.986 227 G CA -0.412 44.833 45.100 0.242 0.000 0.643 227 G HN 0.726 nan 8.290 nan 0.000 0.522 228 C N 2.743 122.180 119.300 0.229 0.000 2.265 228 C HA 0.793 5.253 4.460 -0.000 0.000 0.332 228 C C 1.029 176.147 174.990 0.214 0.000 1.248 228 C CA 0.094 59.247 59.018 0.225 0.000 1.727 228 C CB -0.013 27.879 27.740 0.254 0.000 2.348 228 C HN 0.875 nan 8.230 nan 0.000 0.519 229 S N 1.269 117.094 115.700 0.207 0.000 2.806 229 S HA 0.595 5.065 4.470 -0.000 0.000 0.315 229 S C -0.370 174.349 174.600 0.199 0.000 1.127 229 S CA -0.630 57.697 58.200 0.213 0.000 0.918 229 S CB 0.429 63.765 63.200 0.227 0.000 1.240 229 S HN 0.736 nan 8.310 nan 0.000 0.552 230 E N 1.281 121.593 120.200 0.187 0.000 2.103 230 E HA -0.134 4.216 4.350 -0.000 0.000 0.186 230 E C -2.240 174.451 176.600 0.151 0.000 1.392 230 E CA 0.367 56.843 56.400 0.128 0.000 0.691 230 E CB -1.434 28.297 29.700 0.051 0.000 1.068 230 E HN 0.499 nan 8.360 nan 0.000 0.328 231 P HA 0.112 nan 4.420 nan 0.000 0.275 231 P C -0.426 177.015 177.300 0.234 0.000 1.228 231 P CA -0.024 63.225 63.100 0.248 0.000 0.786 231 P CB 1.579 33.475 31.700 0.327 0.000 0.927 232 V N 1.813 121.876 119.914 0.250 0.000 2.709 232 V HA 0.775 4.895 4.120 -0.000 0.000 0.308 232 V C -1.030 175.293 176.094 0.382 0.000 1.062 232 V CA -0.736 61.737 62.300 0.289 0.000 0.901 232 V CB 1.683 33.674 31.823 0.281 0.000 1.003 232 V HN 0.846 nan 8.190 nan 0.000 0.425 233 A N 6.038 129.063 122.820 0.342 0.000 2.454 233 A HA 1.009 5.329 4.320 -0.000 0.000 0.302 233 A C -1.330 176.372 177.584 0.198 0.000 1.079 233 A CA -0.583 51.637 52.037 0.306 0.000 0.731 233 A CB 1.833 20.949 19.000 0.194 0.000 1.299 233 A HN 1.711 nan 8.150 nan 0.000 0.413 234 L N -1.713 119.578 121.223 0.112 0.000 2.403 234 L HA 0.860 5.200 4.340 -0.000 0.000 0.253 234 L C -0.482 176.418 176.870 0.049 0.000 1.045 234 L CA -0.675 54.165 54.840 0.001 0.000 0.845 234 L CB 1.556 43.490 42.059 -0.209 0.000 1.447 234 L HN 0.744 nan 8.230 nan 0.000 0.411 235 E N 0.725 120.961 120.200 0.059 0.000 2.166 235 E HA 0.347 4.696 4.350 -0.000 0.000 0.275 235 E C -2.000 174.708 176.600 0.179 0.000 0.941 235 E CA -0.690 55.759 56.400 0.081 0.000 0.784 235 E CB 1.366 31.080 29.700 0.023 0.000 1.115 235 E HN 0.684 nan 8.360 nan 0.000 0.399 236 W N 5.508 126.787 121.300 -0.035 0.000 2.830 236 W HA 0.202 4.862 4.660 -0.000 0.000 0.335 236 W C -0.940 175.569 176.519 -0.017 0.000 1.043 236 W CA -0.564 56.768 57.345 -0.022 0.000 1.239 236 W CB 1.073 30.527 29.460 -0.010 0.000 1.378 236 W HN 0.804 nan 8.180 nan 0.000 0.456 237 E N 3.403 123.351 120.200 -0.418 0.000 2.238 237 E HA -0.229 4.120 4.350 -0.000 0.000 0.219 237 E C 1.040 177.579 176.600 -0.101 0.000 1.275 237 E CA 1.173 57.397 56.400 -0.294 0.000 0.714 237 E CB -1.281 28.238 29.700 -0.301 0.000 1.154 237 E HN 0.977 nan 8.360 nan 0.000 0.363 238 G N -0.174 108.577 108.800 -0.080 0.000 2.184 238 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.264 238 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.264 238 G C 0.139 175.025 174.900 -0.024 0.000 0.975 238 G CA 0.922 45.992 45.100 -0.050 0.000 0.642 238 G HN 0.315 nan 8.290 nan 0.000 0.536 239 K N -0.477 119.932 120.400 0.016 0.000 2.340 239 K HA 0.709 5.029 4.320 -0.000 0.000 0.244 239 K C 0.033 176.651 176.600 0.030 0.000 0.973 239 K CA -1.035 55.263 56.287 0.017 0.000 0.828 239 K CB 1.957 34.486 32.500 0.049 0.000 1.226 239 K HN 0.088 nan 8.250 nan 0.000 0.437 240 L N 2.886 124.094 121.223 -0.024 0.000 2.331 240 L HA 0.380 4.720 4.340 -0.000 0.000 0.278 240 L C -0.161 176.714 176.870 0.010 0.000 1.106 240 L CA -0.422 54.405 54.840 -0.021 0.000 0.824 240 L CB 0.359 42.354 42.059 -0.106 0.000 1.142 240 L HN 0.386 nan 8.230 nan 0.000 0.443 241 I N 4.778 125.408 120.570 0.099 0.000 2.355 241 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 241 I C -0.473 175.799 176.117 0.258 0.000 0.999 241 I CA -0.376 61.030 61.300 0.177 0.000 1.163 241 I CB 1.627 39.786 38.000 0.265 0.000 1.316 241 I HN 0.442 nan 8.210 nan 0.000 0.454 242 I N 6.419 127.089 120.570 0.167 0.000 2.354 242 I HA 0.279 4.449 4.170 -0.000 0.000 0.286 242 I C -0.055 176.204 176.117 0.237 0.000 1.007 242 I CA -0.299 61.116 61.300 0.192 0.000 1.167 242 I CB 1.071 39.073 38.000 0.004 0.000 1.320 242 I HN 0.476 nan 8.210 nan 0.000 0.458 243 N N 5.170 123.969 118.700 0.165 0.000 2.424 243 N HA 0.386 5.126 4.740 -0.000 0.000 0.271 243 N C -0.774 174.799 175.510 0.105 0.000 0.985 243 N CA -0.226 52.797 53.050 -0.045 0.000 0.921 243 N CB 1.463 39.583 38.487 -0.611 0.000 1.149 243 N HN 0.691 nan 8.380 nan 0.000 0.492 244 T N 0.243 114.889 114.554 0.153 0.000 2.912 244 T HA 0.462 4.812 4.350 -0.000 0.000 0.288 244 T C 0.132 174.936 174.700 0.175 0.000 1.030 244 T CA -0.987 61.242 62.100 0.214 0.000 1.020 244 T CB 1.814 70.870 68.868 0.313 0.000 1.056 244 T HN 0.490 nan 8.240 nan 0.000 0.480 245 R N 1.506 122.114 120.500 0.181 0.000 2.308 245 R HA 0.568 4.908 4.340 -0.000 0.000 0.305 245 R C -1.417 174.977 176.300 0.158 0.000 1.053 245 R CA -0.551 55.652 56.100 0.173 0.000 0.957 245 R CB 0.510 30.902 30.300 0.154 0.000 1.022 245 R HN 0.578 nan 8.270 nan 0.000 0.461 246 V N 4.742 124.732 119.914 0.127 0.000 2.409 246 V HA 0.145 4.265 4.120 -0.000 0.000 0.290 246 V C -0.750 175.380 176.094 0.060 0.000 1.017 246 V CA -1.048 61.321 62.300 0.114 0.000 0.841 246 V CB 1.464 33.352 31.823 0.108 0.000 1.003 246 V HN 0.821 nan 8.190 nan 0.000 0.426 247 D N 3.715 124.137 120.400 0.036 0.000 2.455 247 D HA 0.200 4.840 4.640 -0.000 0.000 0.241 247 D C 0.509 176.759 176.300 -0.084 0.000 1.138 247 D CA 0.692 54.579 54.000 -0.188 0.000 0.877 247 D CB 0.295 40.955 40.800 -0.234 0.000 1.187 247 D HN 0.687 nan 8.370 nan 0.000 0.451 248 Y N -0.682 119.623 120.300 0.008 0.000 4.798 248 Y HA -0.324 4.225 4.550 -0.000 0.000 0.237 248 Y C 0.843 176.749 175.900 0.009 0.000 1.017 248 Y CA 0.685 58.782 58.100 -0.005 0.000 2.010 248 Y CB -0.987 37.468 38.460 -0.009 0.000 1.582 248 Y HN 0.330 nan 8.280 nan 0.000 0.621 249 R N -0.234 120.320 120.500 0.090 0.000 2.795 249 R HA 0.573 4.913 4.340 -0.000 0.000 0.268 249 R C -0.224 176.085 176.300 0.015 0.000 1.041 249 R CA -1.276 54.862 56.100 0.062 0.000 0.927 249 R CB 1.035 31.380 30.300 0.075 0.000 1.235 249 R HN 0.088 nan 8.270 nan 0.000 0.463 250 R N 1.234 121.724 120.500 -0.018 0.000 2.594 250 R HA 0.259 4.599 4.340 -0.000 0.000 0.272 250 R C 0.185 176.447 176.300 -0.062 0.000 1.074 250 R CA -0.375 55.684 56.100 -0.069 0.000 1.105 250 R CB 0.581 30.800 30.300 -0.135 0.000 1.008 250 R HN 0.211 nan 8.270 nan 0.000 0.472 251 R N 2.050 122.510 120.500 -0.067 0.000 2.489 251 R HA 0.083 4.422 4.340 -0.000 0.000 0.287 251 R C -0.180 176.068 176.300 -0.087 0.000 1.053 251 R CA 0.067 56.149 56.100 -0.030 0.000 1.036 251 R CB 0.328 30.627 30.300 -0.002 0.000 0.966 251 R HN 0.333 nan 8.270 nan 0.000 0.432 252 L N 3.495 124.693 121.223 -0.042 0.000 2.289 252 L HA 0.408 4.748 4.340 -0.000 0.000 0.285 252 L C -0.390 176.383 176.870 -0.162 0.000 1.049 252 L CA -0.798 53.955 54.840 -0.146 0.000 0.804 252 L CB 1.594 43.609 42.059 -0.072 0.000 1.195 252 L HN 0.293 nan 8.230 nan 0.000 0.428 253 V N 3.128 122.840 119.914 -0.337 0.000 2.604 253 V HA 0.486 4.606 4.120 -0.000 0.000 0.305 253 V C -0.921 174.969 176.094 -0.340 0.000 1.043 253 V CA -0.680 61.493 62.300 -0.211 0.000 0.888 253 V CB 1.742 33.462 31.823 -0.173 0.000 0.995 253 V HN 0.441 nan 8.190 nan 0.000 0.429 254 Y N 1.268 121.608 120.300 0.065 0.000 2.602 254 Y HA 0.645 5.195 4.550 -0.000 0.000 0.342 254 Y C 0.198 176.078 175.900 -0.033 0.000 1.029 254 Y CA -0.966 57.170 58.100 0.061 0.000 1.080 254 Y CB 1.942 40.529 38.460 0.213 0.000 1.284 254 Y HN 0.543 nan 8.280 nan 0.000 0.485 255 E N 0.515 120.790 120.200 0.124 0.000 2.238 255 E HA 0.584 4.934 4.350 -0.000 0.000 0.267 255 E C -1.379 175.179 176.600 -0.069 0.000 0.887 255 E CA -0.894 55.517 56.400 0.017 0.000 0.769 255 E CB 2.382 32.107 29.700 0.042 0.000 1.187 255 E HN 0.383 nan 8.360 nan 0.000 0.416 256 S N 0.845 116.453 115.700 -0.153 0.000 2.619 256 S HA 0.255 4.725 4.470 -0.000 0.000 0.280 256 S C -0.233 174.299 174.600 -0.113 0.000 1.150 256 S CA -0.545 57.542 58.200 -0.188 0.000 0.978 256 S CB 1.344 64.287 63.200 -0.428 0.000 1.041 256 S HN 0.371 nan 8.310 nan 0.000 0.485 257 S N 2.457 118.119 115.700 -0.063 0.000 2.556 257 S HA 0.110 4.580 4.470 -0.000 0.000 0.216 257 S C 0.017 174.579 174.600 -0.063 0.000 0.970 257 S CA -0.044 58.126 58.200 -0.049 0.000 0.912 257 S CB -0.063 63.124 63.200 -0.021 0.000 0.790 257 S HN 0.857 nan 8.310 nan 0.000 0.504 258 D N -0.417 119.940 120.400 -0.072 0.000 2.895 258 D HA 0.324 4.964 4.640 -0.000 0.000 0.350 258 D C 0.276 176.504 176.300 -0.119 0.000 1.389 258 D CA -0.597 53.361 54.000 -0.070 0.000 0.812 258 D CB -0.163 40.627 40.800 -0.016 0.000 1.164 258 D HN -0.087 nan 8.370 nan 0.000 0.455 259 M N 0.849 120.331 119.600 -0.197 0.000 2.653 259 M HA -0.109 4.371 4.480 -0.000 0.000 0.203 259 M C 1.047 177.245 176.300 -0.169 0.000 0.502 259 M CA 0.910 56.007 55.300 -0.338 0.000 0.601 259 M CB -1.610 30.603 32.600 -0.645 0.000 2.228 259 M HN 0.991 nan 8.290 nan 0.000 0.711 260 G N -1.188 107.572 108.800 -0.067 0.000 2.176 260 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.253 260 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.253 260 G C 0.683 175.821 174.900 0.397 0.000 0.979 260 G CA 0.444 45.654 45.100 0.182 0.000 0.641 260 G HN 0.566 nan 8.290 nan 0.000 0.530 261 N N 0.292 119.118 118.700 0.209 0.000 2.244 261 N HA 0.056 4.796 4.740 -0.000 0.000 0.183 261 N C 0.697 176.355 175.510 0.246 0.000 1.016 261 N CA 1.697 54.877 53.050 0.217 0.000 0.866 261 N CB 0.040 38.606 38.487 0.131 0.000 0.980 261 N HN 0.518 nan 8.380 nan 0.000 0.430 262 T N 0.083 114.783 114.554 0.243 0.000 2.881 262 T HA 0.352 4.702 4.350 -0.000 0.000 0.290 262 T C -1.227 173.671 174.700 0.329 0.000 1.000 262 T CA -0.549 61.706 62.100 0.258 0.000 0.978 262 T CB 1.326 70.274 68.868 0.134 0.000 0.997 262 T HN 0.019 nan 8.240 nan 0.000 0.443 263 W N 2.952 124.262 121.300 0.018 0.000 2.532 263 W HA 0.711 5.371 4.660 -0.000 0.000 0.321 263 W C -0.860 175.735 176.519 0.125 0.000 1.037 263 W CA -1.015 56.353 57.345 0.039 0.000 1.220 263 W CB 1.087 30.469 29.460 -0.129 0.000 1.361 263 W HN 0.373 nan 8.180 nan 0.000 0.468 264 L N 3.185 124.618 121.223 0.351 0.000 2.333 264 L HA 0.435 4.775 4.340 -0.000 0.000 0.280 264 L C 0.236 177.288 176.870 0.303 0.000 1.004 264 L CA -0.879 54.129 54.840 0.280 0.000 0.820 264 L CB 1.363 43.507 42.059 0.141 0.000 1.247 264 L HN 0.460 nan 8.230 nan 0.000 0.416 265 E N 3.461 123.795 120.200 0.224 0.000 2.414 265 E HA 0.238 4.588 4.350 -0.000 0.000 0.263 265 E C -0.285 176.238 176.600 -0.127 0.000 1.000 265 E CA 0.022 56.351 56.400 -0.119 0.000 0.914 265 E CB 1.045 30.620 29.700 -0.209 0.000 0.948 265 E HN 0.799 nan 8.360 nan 0.000 0.444 266 A N 5.123 127.833 122.820 -0.183 0.000 3.077 266 A HA 0.104 4.424 4.320 -0.000 0.000 0.255 266 A C 1.190 178.666 177.584 -0.180 0.000 1.728 266 A CA -0.055 51.901 52.037 -0.135 0.000 1.383 266 A CB -0.854 18.083 19.000 -0.104 0.000 1.097 266 A HN 0.587 nan 8.150 nan 0.000 0.634 267 V N -1.558 118.211 119.914 -0.241 0.000 2.759 267 V HA -0.034 4.086 4.120 -0.000 0.000 0.256 267 V C 1.672 177.656 176.094 -0.184 0.000 1.080 267 V CA 2.086 64.155 62.300 -0.384 0.000 1.101 267 V CB -0.824 30.407 31.823 -0.986 0.000 0.698 267 V HN 0.520 nan 8.190 nan 0.000 0.477 268 G N -0.095 108.648 108.800 -0.095 0.000 3.042 268 G HA2 0.256 4.216 3.960 -0.000 0.000 0.212 268 G HA3 0.256 4.216 3.960 -0.000 0.000 0.212 268 G C 1.029 175.923 174.900 -0.011 0.000 1.166 268 G CA 1.030 46.139 45.100 0.014 0.000 0.767 268 G HN 0.703 nan 8.290 nan 0.000 0.546 269 T N -2.516 112.016 114.554 -0.037 0.000 3.451 269 T HA 0.203 4.553 4.350 -0.000 0.000 0.201 269 T C 1.755 176.381 174.700 -0.124 0.000 0.965 269 T CA -0.117 61.933 62.100 -0.084 0.000 1.088 269 T CB 0.051 68.846 68.868 -0.121 0.000 1.251 269 T HN -0.029 nan 8.240 nan 0.000 0.325 270 L N 1.115 122.224 121.223 -0.191 0.000 2.672 270 L HA 0.436 4.776 4.340 -0.000 0.000 0.236 270 L C 1.198 177.832 176.870 -0.393 0.000 1.092 270 L CA -0.198 54.434 54.840 -0.346 0.000 0.887 270 L CB 0.417 42.343 42.059 -0.223 0.000 1.168 270 L HN 0.290 nan 8.230 nan 0.000 0.502 271 S N 0.808 116.335 115.700 -0.288 0.000 2.549 271 S HA 0.138 4.608 4.470 -0.000 0.000 0.286 271 S C 0.975 175.329 174.600 -0.411 0.000 1.314 271 S CA 0.011 58.017 58.200 -0.323 0.000 1.062 271 S CB 0.081 63.092 63.200 -0.315 0.000 0.865 271 S HN 0.423 nan 8.310 nan 0.000 0.498 272 R N 1.465 121.705 120.500 -0.433 0.000 3.994 272 R HA -0.165 4.175 4.340 -0.000 0.000 0.403 272 R C 0.981 176.918 176.300 -0.606 0.000 1.126 272 R CA 0.893 56.661 56.100 -0.553 0.000 1.143 272 R CB -2.708 27.066 30.300 -0.878 0.000 1.695 272 R HN 0.500 nan 8.270 nan 0.000 0.555 273 V N -0.273 119.254 119.914 -0.646 0.000 2.358 273 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 273 V C 1.252 176.879 176.094 -0.778 0.000 1.047 273 V CA 1.675 63.481 62.300 -0.823 0.000 1.035 273 V CB -0.171 30.829 31.823 -1.372 0.000 0.658 273 V HN 0.255 nan 8.190 nan 0.000 0.452 274 W N 0.410 121.434 121.300 -0.461 0.000 2.391 274 W HA 0.635 5.295 4.660 -0.000 0.000 0.311 274 W C 0.361 176.679 176.519 -0.334 0.000 1.087 274 W CA -0.680 56.398 57.345 -0.446 0.000 1.209 274 W CB 0.900 30.044 29.460 -0.527 0.000 1.273 274 W HN 0.126 nan 8.180 nan 0.000 0.482 275 G N 3.919 112.691 108.800 -0.047 0.000 2.371 275 G HA2 0.391 4.351 3.960 -0.000 0.000 0.326 275 G HA3 0.391 4.351 3.960 -0.000 0.000 0.326 275 G C -1.583 173.273 174.900 -0.074 0.000 1.127 275 G CA -1.214 43.853 45.100 -0.056 0.000 0.885 275 G HN 0.151 nan 8.290 nan 0.000 0.477 276 P HA 0.014 nan 4.420 nan 0.000 0.233 276 P C 0.372 177.747 177.300 0.124 0.000 1.167 276 P CA 0.603 63.729 63.100 0.043 0.000 0.770 276 P CB 0.390 32.124 31.700 0.056 0.000 0.837 277 S N -3.533 112.226 115.700 0.099 0.000 2.611 277 S HA 0.409 4.879 4.470 -0.000 0.000 0.268 277 S C -2.724 171.954 174.600 0.130 0.000 1.156 277 S CA -1.256 57.029 58.200 0.141 0.000 0.817 277 S CB 1.353 64.607 63.200 0.090 0.000 1.122 277 S HN -0.351 nan 8.310 nan 0.000 0.466 278 P HA -0.076 nan 4.420 nan 0.000 0.217 278 P C 0.563 177.880 177.300 0.029 0.000 1.151 278 P CA 1.546 64.684 63.100 0.065 0.000 0.849 278 P CB 0.020 31.691 31.700 -0.049 0.000 0.787 279 K N -1.641 118.775 120.400 0.026 0.000 2.397 279 K HA 0.224 4.544 4.320 -0.000 0.000 0.202 279 K C 0.190 176.805 176.600 0.026 0.000 1.022 279 K CA 0.063 56.359 56.287 0.016 0.000 1.141 279 K CB 0.076 32.581 32.500 0.009 0.000 0.857 279 K HN -0.120 nan 8.250 nan 0.000 0.514 280 S N 2.616 118.335 115.700 0.033 0.000 3.549 280 S HA -0.137 4.333 4.470 -0.000 0.000 0.366 280 S C 0.020 174.652 174.600 0.052 0.000 1.012 280 S CA 1.207 59.425 58.200 0.029 0.000 1.141 280 S CB -1.301 61.904 63.200 0.008 0.000 0.910 280 S HN 0.684 nan 8.310 nan 0.000 0.471 281 N N -0.668 118.073 118.700 0.068 0.000 2.466 281 N HA 0.176 4.916 4.740 -0.000 0.000 0.272 281 N C -0.463 175.171 175.510 0.206 0.000 1.455 281 N CA -0.504 52.630 53.050 0.139 0.000 0.875 281 N CB 0.457 38.998 38.487 0.090 0.000 1.372 281 N HN 0.259 nan 8.380 nan 0.000 0.492 282 Q N -0.041 119.781 119.800 0.037 0.000 2.528 282 Q HA 0.593 4.933 4.340 -0.000 0.000 0.289 282 Q C -2.844 172.823 176.000 -0.555 0.000 1.091 282 Q CA -1.749 53.963 55.803 -0.152 0.000 0.797 282 Q CB 1.608 30.281 28.738 -0.108 0.000 1.466 282 Q HN 0.050 nan 8.270 nan 0.000 0.436 283 P HA 0.039 nan 4.420 nan 0.000 0.267 283 P C -0.104 177.009 177.300 -0.311 0.000 1.200 283 P CA 0.411 63.027 63.100 -0.806 0.000 0.772 283 P CB 0.457 31.491 31.700 -1.109 0.000 0.855 284 G N 0.684 109.406 108.800 -0.130 0.000 2.531 284 G HA2 0.508 4.468 3.960 -0.000 0.000 0.253 284 G HA3 0.508 4.468 3.960 -0.000 0.000 0.253 284 G C -0.618 174.368 174.900 0.144 0.000 1.439 284 G CA -0.235 44.930 45.100 0.108 0.000 1.056 284 G HN 0.555 nan 8.290 nan 0.000 0.555 285 S N -2.172 113.606 115.700 0.129 0.000 2.596 285 S HA 0.385 4.855 4.470 -0.000 0.000 0.270 285 S C -0.923 173.557 174.600 -0.200 0.000 1.155 285 S CA -0.546 57.630 58.200 -0.041 0.000 0.827 285 S CB 1.759 64.733 63.200 -0.378 0.000 1.130 285 S HN 0.720 nan 8.310 nan 0.000 0.467 286 Q N 1.562 121.020 119.800 -0.570 0.000 2.394 286 Q HA 0.460 4.800 4.340 -0.000 0.000 0.248 286 Q C -1.095 174.709 176.000 -0.326 0.000 0.992 286 Q CA 0.464 55.945 55.803 -0.536 0.000 0.888 286 Q CB 0.960 29.086 28.738 -1.020 0.000 1.257 286 Q HN 0.629 nan 8.270 nan 0.000 0.462 287 S N 1.514 117.107 115.700 -0.179 0.000 2.541 287 S HA 0.287 4.757 4.470 -0.000 0.000 0.280 287 S C -1.146 173.401 174.600 -0.087 0.000 1.112 287 S CA -0.589 57.480 58.200 -0.219 0.000 0.925 287 S CB 1.823 64.908 63.200 -0.191 0.000 1.067 287 S HN 0.629 nan 8.310 nan 0.000 0.479 288 S N 1.893 117.525 115.700 -0.113 0.000 2.523 288 S HA 0.692 5.162 4.470 -0.000 0.000 0.275 288 S C -1.297 173.424 174.600 0.201 0.000 1.281 288 S CA -0.230 58.002 58.200 0.053 0.000 1.050 288 S CB -0.009 63.218 63.200 0.045 0.000 0.937 288 S HN 0.501 nan 8.310 nan 0.000 0.492 289 F N 4.613 124.623 119.950 0.100 0.000 2.831 289 F HA 0.480 5.007 4.527 -0.000 0.000 0.346 289 F C -0.402 175.494 175.800 0.161 0.000 1.224 289 F CA -0.399 57.711 58.000 0.182 0.000 1.048 289 F CB 1.340 40.487 39.000 0.245 0.000 1.339 289 F HN 0.662 nan 8.300 nan 0.000 0.514 290 T N 2.051 116.574 114.554 -0.052 0.000 2.896 290 T HA 0.911 5.260 4.350 -0.000 0.000 0.297 290 T C -0.920 173.725 174.700 -0.091 0.000 1.108 290 T CA -0.895 61.166 62.100 -0.064 0.000 1.004 290 T CB 1.806 70.720 68.868 0.077 0.000 1.159 290 T HN 0.855 nan 8.240 nan 0.000 0.499 291 A N 1.507 124.320 122.820 -0.013 0.000 2.288 291 A HA 0.848 5.168 4.320 -0.000 0.000 0.320 291 A C 0.103 177.770 177.584 0.138 0.000 1.217 291 A CA -0.667 51.436 52.037 0.110 0.000 0.840 291 A CB 0.454 19.571 19.000 0.195 0.000 1.179 291 A HN 1.788 nan 8.150 nan 0.000 0.504 292 V N -0.511 119.499 119.914 0.160 0.000 3.160 292 V HA 0.868 4.987 4.120 -0.000 0.000 0.310 292 V C -0.359 175.821 176.094 0.144 0.000 1.181 292 V CA -0.645 61.751 62.300 0.161 0.000 1.047 292 V CB 1.603 33.511 31.823 0.142 0.000 1.068 292 V HN 0.667 nan 8.190 nan 0.000 0.441 293 T N 3.002 117.658 114.554 0.171 0.000 2.786 293 T HA 0.720 5.070 4.350 -0.000 0.000 0.283 293 T C -0.476 174.318 174.700 0.157 0.000 0.992 293 T CA 0.018 62.201 62.100 0.139 0.000 0.954 293 T CB 0.606 69.548 68.868 0.122 0.000 0.934 293 T HN 0.621 nan 8.240 nan 0.000 0.440 294 I N 2.691 123.294 120.570 0.056 0.000 2.418 294 I HA 0.289 4.459 4.170 -0.000 0.000 0.287 294 I C 0.387 176.533 176.117 0.048 0.000 1.008 294 I CA -0.681 60.627 61.300 0.014 0.000 1.104 294 I CB 1.433 39.319 38.000 -0.189 0.000 1.264 294 I HN 0.735 nan 8.210 nan 0.000 0.438 295 E N 4.754 125.004 120.200 0.084 0.000 2.269 295 E HA -0.292 4.058 4.350 -0.000 0.000 0.223 295 E C 1.069 177.699 176.600 0.051 0.000 1.244 295 E CA 0.639 57.072 56.400 0.056 0.000 0.713 295 E CB -1.162 28.552 29.700 0.025 0.000 1.178 295 E HN 1.224 nan 8.360 nan 0.000 0.370 296 G N -0.128 108.711 108.800 0.064 0.000 2.199 296 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.254 296 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.254 296 G C 0.185 175.122 174.900 0.062 0.000 0.982 296 G CA 0.473 45.605 45.100 0.054 0.000 0.632 296 G HN 0.388 nan 8.290 nan 0.000 0.529 297 M N 0.696 120.343 119.600 0.078 0.000 2.205 297 M HA 0.699 5.179 4.480 -0.000 0.000 0.344 297 M C 0.247 176.624 176.300 0.129 0.000 1.085 297 M CA -1.099 54.267 55.300 0.110 0.000 1.001 297 M CB 1.019 33.705 32.600 0.145 0.000 1.626 297 M HN 0.122 nan 8.290 nan 0.000 0.442 298 R N 3.725 124.302 120.500 0.127 0.000 2.347 298 R HA 0.562 4.902 4.340 -0.000 0.000 0.304 298 R C -1.269 175.283 176.300 0.419 0.000 1.072 298 R CA -0.127 56.068 56.100 0.158 0.000 0.980 298 R CB 0.422 30.675 30.300 -0.078 0.000 0.986 298 R HN 0.555 nan 8.270 nan 0.000 0.448 299 V N 0.816 120.999 119.914 0.450 0.000 3.202 299 V HA 0.636 4.756 4.120 -0.000 0.000 0.306 299 V C -0.677 175.610 176.094 0.321 0.000 1.283 299 V CA -1.228 61.340 62.300 0.446 0.000 1.065 299 V CB 2.333 34.331 31.823 0.292 0.000 1.079 299 V HN 0.676 nan 8.190 nan 0.000 0.448 300 M N 1.808 121.502 119.600 0.156 0.000 2.528 300 M HA 0.688 5.168 4.480 -0.000 0.000 0.321 300 M C -1.318 175.101 176.300 0.198 0.000 1.153 300 M CA -0.453 54.891 55.300 0.073 0.000 0.951 300 M CB 2.237 34.773 32.600 -0.107 0.000 1.705 300 M HN 0.548 nan 8.290 nan 0.000 0.451 301 L N 2.357 123.694 121.223 0.189 0.000 2.341 301 L HA 0.679 5.018 4.340 -0.000 0.000 0.278 301 L C -1.381 175.726 176.870 0.395 0.000 1.005 301 L CA -0.573 54.427 54.840 0.265 0.000 0.818 301 L CB 1.744 43.899 42.059 0.159 0.000 1.259 301 L HN 0.584 nan 8.230 nan 0.000 0.418 302 F N 2.109 122.204 119.950 0.241 0.000 2.569 302 F HA 0.653 5.180 4.527 -0.000 0.000 0.312 302 F C -0.351 175.505 175.800 0.093 0.000 1.109 302 F CA -0.326 57.751 58.000 0.128 0.000 0.919 302 F CB 2.043 40.909 39.000 -0.224 0.000 1.211 302 F HN 0.467 nan 8.300 nan 0.000 0.446 303 T N 1.898 115.944 114.554 -0.848 0.000 2.887 303 T HA 0.643 4.993 4.350 -0.000 0.000 0.288 303 T C -1.466 172.677 174.700 -0.929 0.000 1.021 303 T CA -0.660 61.063 62.100 -0.629 0.000 1.000 303 T CB 1.777 70.475 68.868 -0.284 0.000 1.034 303 T HN 0.918 nan 8.240 nan 0.000 0.467 304 H N 1.002 119.766 119.070 -0.510 0.000 3.112 304 H HA 0.451 5.007 4.556 -0.000 0.000 0.347 304 H C -3.061 172.226 175.328 -0.068 0.000 1.188 304 H CA -1.345 54.520 56.048 -0.304 0.000 1.240 304 H CB 2.252 31.870 29.762 -0.240 0.000 1.920 304 H HN 0.525 nan 8.280 nan 0.000 0.535 305 P HA 0.049 nan 4.420 nan 0.000 0.274 305 P C 0.403 177.856 177.300 0.255 0.000 1.231 305 P CA -0.187 62.948 63.100 0.057 0.000 0.790 305 P CB 1.596 33.281 31.700 -0.025 0.000 0.951 306 L N 0.665 121.939 121.223 0.086 0.000 2.341 306 L HA -0.011 4.329 4.340 -0.000 0.000 0.214 306 L C 0.837 177.802 176.870 0.159 0.000 1.115 306 L CA 0.570 55.480 54.840 0.118 0.000 0.820 306 L CB -0.833 41.165 42.059 -0.101 0.000 0.944 306 L HN 0.484 nan 8.230 nan 0.000 0.452 307 N N -0.095 118.642 118.700 0.063 0.000 2.714 307 N HA -0.261 4.479 4.740 -0.000 0.000 0.253 307 N C 0.555 176.220 175.510 0.257 0.000 1.024 307 N CA 0.362 53.483 53.050 0.118 0.000 0.726 307 N CB -1.426 37.135 38.487 0.122 0.000 0.908 307 N HN 0.325 nan 8.380 nan 0.000 0.542 308 F N -0.130 119.849 119.950 0.048 0.000 2.216 308 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 308 F C 2.020 177.836 175.800 0.027 0.000 1.085 308 F CA 0.779 58.801 58.000 0.037 0.000 1.326 308 F CB 0.036 39.056 39.000 0.034 0.000 1.027 308 F HN 0.242 nan 8.300 nan 0.000 0.497 309 K N 0.391 120.922 120.400 0.218 0.000 2.217 309 K HA 0.123 4.443 4.320 -0.000 0.000 0.202 309 K C 1.018 177.672 176.600 0.091 0.000 1.051 309 K CA 0.534 56.899 56.287 0.130 0.000 0.952 309 K CB -0.293 32.264 32.500 0.094 0.000 0.736 309 K HN 0.350 nan 8.250 nan 0.000 0.453 310 G N 0.908 109.756 108.800 0.079 0.000 2.757 310 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.638 310 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.638 310 G C -0.499 174.390 174.900 -0.019 0.000 1.344 310 G CA -0.319 44.795 45.100 0.023 0.000 0.855 310 G HN 0.299 nan 8.290 nan 0.000 0.537 311 R N -2.124 118.300 120.500 -0.127 0.000 3.815 311 R HA -0.235 4.105 4.340 -0.000 0.000 0.470 311 R C 1.108 177.203 176.300 -0.342 0.000 0.241 311 R CA 2.270 58.189 56.100 -0.301 0.000 1.481 311 R CB -1.289 29.026 30.300 0.025 0.000 0.988 311 R HN 0.796 nan 8.270 nan 0.000 0.570 312 W N 1.264 122.592 121.300 0.046 0.000 3.316 312 W HA 0.209 4.869 4.660 -0.000 0.000 0.327 312 W C 1.608 178.149 176.519 0.037 0.000 1.232 312 W CA -0.057 57.311 57.345 0.039 0.000 1.805 312 W CB -0.176 29.305 29.460 0.035 0.000 1.090 312 W HN 0.343 nan 8.180 nan 0.000 0.654 313 L N 0.774 122.112 121.223 0.192 0.000 2.012 313 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 313 L C 1.203 178.119 176.870 0.077 0.000 1.073 313 L CA 1.388 56.298 54.840 0.116 0.000 0.748 313 L CB -0.691 41.417 42.059 0.081 0.000 0.891 313 L HN -0.065 nan 8.230 nan 0.000 0.431 314 R N 1.109 121.649 120.500 0.067 0.000 3.267 314 R HA -0.137 4.203 4.340 -0.000 0.000 0.254 314 R C -0.399 175.903 176.300 0.004 0.000 0.993 314 R CA 0.569 56.697 56.100 0.046 0.000 0.670 314 R CB -1.903 28.438 30.300 0.069 0.000 1.125 314 R HN 0.627 nan 8.270 nan 0.000 0.434 315 D N 0.699 121.088 120.400 -0.018 0.000 2.371 315 D HA 0.127 4.767 4.640 -0.000 0.000 0.242 315 D C 0.025 176.239 176.300 -0.143 0.000 1.218 315 D CA -0.474 53.484 54.000 -0.070 0.000 0.945 315 D CB 0.442 41.199 40.800 -0.073 0.000 1.137 315 D HN 0.240 nan 8.370 nan 0.000 0.464 316 R N -1.085 119.309 120.500 -0.176 0.000 3.076 316 R HA -0.199 4.141 4.340 -0.000 0.000 0.261 316 R C -0.609 175.587 176.300 -0.173 0.000 0.930 316 R CA -0.215 55.746 56.100 -0.231 0.000 0.649 316 R CB -1.861 28.175 30.300 -0.439 0.000 1.350 316 R HN 0.427 nan 8.270 nan 0.000 0.453 317 L N 1.527 122.642 121.223 -0.179 0.000 2.477 317 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 317 L C 0.260 177.029 176.870 -0.168 0.000 1.157 317 L CA 0.616 55.343 54.840 -0.187 0.000 0.889 317 L CB 0.573 42.426 42.059 -0.342 0.000 1.158 317 L HN 0.316 nan 8.230 nan 0.000 0.473 318 N N 3.259 121.906 118.700 -0.089 0.000 2.319 318 N HA 0.604 5.344 4.740 -0.000 0.000 0.305 318 N C -1.578 173.849 175.510 -0.137 0.000 1.103 318 N CA -0.698 52.276 53.050 -0.127 0.000 0.815 318 N CB 1.389 39.858 38.487 -0.031 0.000 1.288 318 N HN 0.588 nan 8.380 nan 0.000 0.493 319 L N 2.804 123.871 121.223 -0.259 0.000 2.307 319 L HA 0.687 5.027 4.340 -0.000 0.000 0.284 319 L C -1.738 174.971 176.870 -0.268 0.000 1.023 319 L CA -0.387 54.365 54.840 -0.146 0.000 0.810 319 L CB 0.504 42.513 42.059 -0.084 0.000 1.231 319 L HN 0.585 nan 8.230 nan 0.000 0.423 320 W N 5.316 126.718 121.300 0.171 0.000 2.761 320 W HA 0.655 5.315 4.660 -0.000 0.000 0.340 320 W C -1.175 175.551 176.519 0.345 0.000 1.072 320 W CA -0.636 56.904 57.345 0.325 0.000 1.215 320 W CB 1.714 31.495 29.460 0.535 0.000 1.420 320 W HN 0.412 nan 8.180 nan 0.000 0.519 321 L N 2.541 124.150 121.223 0.642 0.000 2.362 321 L HA 0.862 5.202 4.340 -0.000 0.000 0.275 321 L C -0.538 176.721 176.870 0.648 0.000 0.998 321 L CA -0.057 55.089 54.840 0.510 0.000 0.820 321 L CB 1.937 44.205 42.059 0.348 0.000 1.270 321 L HN 0.375 nan 8.230 nan 0.000 0.415 322 T N 1.647 116.522 114.554 0.535 0.000 2.956 322 T HA 0.409 4.759 4.350 -0.000 0.000 0.312 322 T C -0.722 174.170 174.700 0.320 0.000 1.151 322 T CA -0.290 62.099 62.100 0.481 0.000 1.024 322 T CB 1.066 70.142 68.868 0.347 0.000 1.140 322 T HN 0.755 nan 8.240 nan 0.000 0.473 323 D N 3.208 123.771 120.400 0.272 0.000 2.427 323 D HA 0.156 4.796 4.640 -0.000 0.000 0.224 323 D C 0.791 177.088 176.300 -0.005 0.000 1.157 323 D CA -0.285 53.852 54.000 0.228 0.000 0.828 323 D CB -0.663 40.324 40.800 0.312 0.000 0.974 323 D HN 0.815 nan 8.370 nan 0.000 0.498 324 N N -0.273 118.297 118.700 -0.217 0.000 2.878 324 N HA -0.261 4.479 4.740 -0.000 0.000 0.247 324 N C 0.286 175.696 175.510 -0.166 0.000 1.021 324 N CA 1.091 53.973 53.050 -0.280 0.000 0.873 324 N CB -0.334 37.893 38.487 -0.433 0.000 1.128 324 N HN 0.436 nan 8.380 nan 0.000 0.571 325 Q N -0.627 119.063 119.800 -0.183 0.000 2.245 325 Q HA 0.225 4.565 4.340 -0.000 0.000 0.172 325 Q C -0.133 175.710 176.000 -0.263 0.000 0.604 325 Q CA -0.246 55.395 55.803 -0.270 0.000 0.812 325 Q CB 0.364 28.910 28.738 -0.321 0.000 1.149 325 Q HN 0.127 nan 8.270 nan 0.000 0.467 326 R N 0.957 121.227 120.500 -0.382 0.000 2.500 326 R HA 0.517 4.857 4.340 -0.000 0.000 0.275 326 R C -0.570 175.767 176.300 0.061 0.000 1.051 326 R CA 0.194 56.131 56.100 -0.272 0.000 1.088 326 R CB 0.869 30.712 30.300 -0.761 0.000 1.063 326 R HN 0.161 nan 8.270 nan 0.000 0.511 327 I N 2.220 122.972 120.570 0.304 0.000 2.503 327 I HA 0.208 4.378 4.170 -0.000 0.000 0.282 327 I C -1.381 175.136 176.117 0.667 0.000 1.059 327 I CA -0.794 60.783 61.300 0.463 0.000 1.081 327 I CB 1.269 39.397 38.000 0.212 0.000 1.210 327 I HN 0.539 nan 8.210 nan 0.000 0.450 328 Y N 6.491 127.194 120.300 0.671 0.000 2.341 328 Y HA 0.427 4.977 4.550 -0.000 0.000 0.337 328 Y C 0.038 176.171 175.900 0.388 0.000 1.014 328 Y CA -0.690 57.724 58.100 0.522 0.000 1.111 328 Y CB 1.270 39.999 38.460 0.449 0.000 1.194 328 Y HN 0.546 nan 8.280 nan 0.000 0.462 329 N N 4.913 123.272 118.700 -0.569 0.000 2.415 329 N HA 0.089 4.829 4.740 -0.000 0.000 0.250 329 N C 0.276 175.255 175.510 -0.886 0.000 1.127 329 N CA 0.150 52.594 53.050 -1.010 0.000 0.945 329 N CB 0.957 38.842 38.487 -1.003 0.000 1.196 329 N HN 0.613 nan 8.380 nan 0.000 0.499 330 V N 2.612 122.278 119.914 -0.414 0.000 2.358 330 V HA 0.173 4.293 4.120 -0.000 0.000 0.246 330 V C 1.505 177.487 176.094 -0.187 0.000 1.047 330 V CA 1.711 63.969 62.300 -0.070 0.000 1.035 330 V CB -1.422 30.425 31.823 0.039 0.000 0.658 330 V HN 0.928 nan 8.190 nan 0.000 0.452 331 G N -1.095 107.512 108.800 -0.323 0.000 2.302 331 G HA2 0.020 3.980 3.960 -0.000 0.000 0.276 331 G HA3 0.020 3.980 3.960 -0.000 0.000 0.276 331 G C -1.014 173.751 174.900 -0.225 0.000 1.316 331 G CA -0.269 44.675 45.100 -0.260 0.000 0.988 331 G HN 0.212 nan 8.290 nan 0.000 0.479 332 Q N -0.209 119.495 119.800 -0.159 0.000 2.294 332 Q HA 0.536 4.876 4.340 -0.000 0.000 0.257 332 Q C 0.897 176.824 176.000 -0.121 0.000 0.955 332 Q CA -0.419 55.296 55.803 -0.146 0.000 0.936 332 Q CB 1.438 30.102 28.738 -0.122 0.000 1.188 332 Q HN 0.436 nan 8.270 nan 0.000 0.420 333 V N 2.660 122.487 119.914 -0.146 0.000 2.446 333 V HA -0.099 4.021 4.120 -0.000 0.000 0.244 333 V C 1.088 177.123 176.094 -0.099 0.000 1.039 333 V CA 1.392 63.620 62.300 -0.121 0.000 1.045 333 V CB -0.079 31.651 31.823 -0.155 0.000 0.681 333 V HN 0.880 nan 8.190 nan 0.000 0.459 334 S N 0.235 115.820 115.700 -0.193 0.000 2.633 334 S HA 0.429 4.899 4.470 -0.000 0.000 0.257 334 S C -0.309 174.278 174.600 -0.023 0.000 1.265 334 S CA -0.259 57.888 58.200 -0.089 0.000 0.980 334 S CB 0.670 63.782 63.200 -0.147 0.000 1.017 334 S HN 0.222 nan 8.310 nan 0.000 0.577 335 I N 0.971 121.548 120.570 0.013 0.000 2.436 335 I HA 0.558 4.728 4.170 -0.000 0.000 0.289 335 I C 1.090 177.202 176.117 -0.008 0.000 1.010 335 I CA -0.193 61.110 61.300 0.005 0.000 1.098 335 I CB 1.025 39.041 38.000 0.026 0.000 1.266 335 I HN 1.136 nan 8.210 nan 0.000 0.434 336 G N 5.619 114.409 108.800 -0.016 0.000 2.582 336 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.288 336 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.288 336 G C 0.330 175.213 174.900 -0.029 0.000 1.247 336 G CA 0.610 45.702 45.100 -0.013 0.000 0.972 336 G HN 0.886 nan 8.290 nan 0.000 0.557 337 D N 1.680 122.072 120.400 -0.013 0.000 2.395 337 D HA 0.132 4.772 4.640 -0.000 0.000 0.226 337 D C 0.972 177.259 176.300 -0.020 0.000 1.146 337 D CA 0.693 54.682 54.000 -0.019 0.000 0.830 337 D CB -0.603 40.208 40.800 0.017 0.000 0.958 337 D HN 0.964 nan 8.370 nan 0.000 0.501 338 E N 0.506 120.695 120.200 -0.019 0.000 2.415 338 E HA -0.013 4.337 4.350 -0.000 0.000 0.262 338 E C -0.332 176.254 176.600 -0.023 0.000 1.038 338 E CA -0.387 56.005 56.400 -0.014 0.000 0.921 338 E CB 0.372 30.075 29.700 0.004 0.000 0.950 338 E HN -0.079 nan 8.360 nan 0.000 0.438 339 N N 1.670 120.352 118.700 -0.029 0.000 2.497 339 N HA 0.060 4.800 4.740 -0.000 0.000 0.268 339 N C -0.910 174.593 175.510 -0.012 0.000 1.171 339 N CA 0.038 53.069 53.050 -0.031 0.000 0.948 339 N CB 1.161 39.613 38.487 -0.059 0.000 1.069 339 N HN 0.581 nan 8.380 nan 0.000 0.460 340 S N -0.738 114.962 115.700 0.001 0.000 2.479 340 S HA 0.522 4.992 4.470 -0.000 0.000 0.169 340 S C 0.341 174.950 174.600 0.015 0.000 1.181 340 S CA -0.754 57.472 58.200 0.044 0.000 1.169 340 S CB 0.506 63.709 63.200 0.005 0.000 1.384 340 S HN 0.523 nan 8.310 nan 0.000 0.412 341 A N 2.024 124.866 122.820 0.037 0.000 1.843 341 A HA 0.446 4.766 4.320 -0.000 0.000 0.213 341 A C 0.195 177.923 177.584 0.240 0.000 1.239 341 A CA 0.804 52.874 52.037 0.055 0.000 0.606 341 A CB -0.422 18.524 19.000 -0.089 0.000 0.903 341 A HN 0.689 nan 8.150 nan 0.000 0.455 342 Y N 0.350 120.663 120.300 0.021 0.000 2.335 342 Y HA 0.564 5.114 4.550 -0.000 0.000 0.323 342 Y C 0.758 176.673 175.900 0.024 0.000 1.224 342 Y CA -1.255 56.838 58.100 -0.011 0.000 1.241 342 Y CB 0.867 39.325 38.460 -0.002 0.000 1.235 342 Y HN 0.466 nan 8.280 nan 0.000 0.492 343 S N -0.337 115.459 115.700 0.159 0.000 2.643 343 S HA 0.769 5.239 4.470 -0.000 0.000 0.270 343 S C -1.087 173.569 174.600 0.094 0.000 1.166 343 S CA -0.941 57.337 58.200 0.129 0.000 0.815 343 S CB 2.165 65.394 63.200 0.049 0.000 1.139 343 S HN 0.536 nan 8.310 nan 0.000 0.472 344 S N 0.225 115.999 115.700 0.123 0.000 2.649 344 S HA 0.589 5.059 4.470 -0.000 0.000 0.274 344 S C -1.648 173.046 174.600 0.158 0.000 1.176 344 S CA -0.488 57.790 58.200 0.130 0.000 0.988 344 S CB 1.114 64.400 63.200 0.144 0.000 1.071 344 S HN 0.878 nan 8.310 nan 0.000 0.478 345 V N 5.346 125.350 119.914 0.150 0.000 2.435 345 V HA 0.673 4.793 4.120 -0.000 0.000 0.290 345 V C -0.453 175.771 176.094 0.218 0.000 1.030 345 V CA -0.680 61.722 62.300 0.171 0.000 0.881 345 V CB 1.397 33.297 31.823 0.128 0.000 0.983 345 V HN 0.770 nan 8.190 nan 0.000 0.445 346 L N 5.486 126.881 121.223 0.286 0.000 2.385 346 L HA 0.609 4.949 4.340 -0.000 0.000 0.273 346 L C -1.429 175.699 176.870 0.431 0.000 0.990 346 L CA -0.452 54.588 54.840 0.333 0.000 0.821 346 L CB 1.719 43.981 42.059 0.339 0.000 1.279 346 L HN 0.625 nan 8.230 nan 0.000 0.412 347 Y N 5.146 125.574 120.300 0.214 0.000 2.334 347 Y HA 0.596 5.146 4.550 -0.000 0.000 0.336 347 Y C -0.947 175.070 175.900 0.195 0.000 0.960 347 Y CA -0.686 57.523 58.100 0.182 0.000 1.164 347 Y CB 0.867 39.397 38.460 0.117 0.000 1.155 347 Y HN 0.714 nan 8.280 nan 0.000 0.478 348 K N 5.447 125.822 120.400 -0.043 0.000 2.541 348 K HA 0.288 4.608 4.320 -0.000 0.000 0.250 348 K C -1.095 175.422 176.600 -0.139 0.000 0.950 348 K CA -0.449 55.804 56.287 -0.056 0.000 0.805 348 K CB 0.932 33.503 32.500 0.118 0.000 1.166 348 K HN 0.731 nan 8.250 nan 0.000 0.430 349 D N 3.894 124.165 120.400 -0.214 0.000 2.689 349 D HA -0.199 4.441 4.640 -0.000 0.000 0.237 349 D C -0.377 175.810 176.300 -0.189 0.000 1.148 349 D CA 1.818 55.727 54.000 -0.151 0.000 0.656 349 D CB -0.797 39.978 40.800 -0.041 0.000 1.050 349 D HN 1.002 nan 8.370 nan 0.000 0.426 350 D N -0.849 119.287 120.400 -0.440 0.000 2.837 350 D HA -0.223 4.417 4.640 -0.000 0.000 0.230 350 D C -0.610 175.662 176.300 -0.046 0.000 1.152 350 D CA 1.336 55.188 54.000 -0.245 0.000 0.736 350 D CB -0.340 40.453 40.800 -0.011 0.000 1.084 350 D HN 0.530 nan 8.370 nan 0.000 0.429 351 K N -0.371 119.963 120.400 -0.111 0.000 2.375 351 K HA 0.600 4.920 4.320 -0.000 0.000 0.249 351 K C -0.858 175.655 176.600 -0.144 0.000 0.942 351 K CA -1.173 55.045 56.287 -0.115 0.000 0.806 351 K CB 2.184 34.591 32.500 -0.154 0.000 1.227 351 K HN 0.003 nan 8.250 nan 0.000 0.430 352 L N 2.722 123.773 121.223 -0.285 0.000 2.329 352 L HA 0.506 4.846 4.340 -0.000 0.000 0.279 352 L C -1.649 174.912 176.870 -0.516 0.000 1.014 352 L CA -0.237 54.515 54.840 -0.147 0.000 0.814 352 L CB 0.763 42.816 42.059 -0.009 0.000 1.257 352 L HN 0.512 nan 8.230 nan 0.000 0.424 353 Y N 2.828 123.166 120.300 0.062 0.000 2.553 353 Y HA 0.632 5.182 4.550 -0.000 0.000 0.347 353 Y C -0.525 175.363 175.900 -0.020 0.000 1.019 353 Y CA -0.642 57.415 58.100 -0.072 0.000 1.032 353 Y CB 2.109 40.539 38.460 -0.050 0.000 1.284 353 Y HN 0.655 nan 8.280 nan 0.000 0.466 354 C N 3.466 122.809 119.300 0.071 0.000 2.551 354 C HA 0.697 5.157 4.460 -0.000 0.000 0.332 354 C C -1.555 173.520 174.990 0.141 0.000 1.139 354 C CA -0.749 58.350 59.018 0.136 0.000 1.328 354 C CB -0.036 27.788 27.740 0.139 0.000 1.903 354 C HN 0.793 nan 8.230 nan 0.000 0.459 355 L N 7.268 128.621 121.223 0.216 0.000 2.265 355 L HA 0.755 5.095 4.340 -0.000 0.000 0.289 355 L C -0.173 176.806 176.870 0.182 0.000 1.033 355 L CA 0.725 55.689 54.840 0.207 0.000 0.814 355 L CB 0.430 42.634 42.059 0.243 0.000 1.203 355 L HN 0.953 nan 8.230 nan 0.000 0.423 356 H N 1.330 120.445 119.070 0.074 0.000 3.008 356 H HA 0.607 5.162 4.556 -0.000 0.000 0.354 356 H C -1.231 174.129 175.328 0.052 0.000 1.252 356 H CA -1.009 55.072 56.048 0.055 0.000 1.117 356 H CB 0.813 30.598 29.762 0.039 0.000 1.857 356 H HN 0.544 nan 8.280 nan 0.000 0.547 357 E N 1.177 121.529 120.200 0.252 0.000 2.366 357 E HA 0.339 4.689 4.350 -0.000 0.000 0.266 357 E C -0.151 176.579 176.600 0.217 0.000 1.051 357 E CA -0.474 56.037 56.400 0.184 0.000 0.884 357 E CB 1.321 31.133 29.700 0.187 0.000 1.006 357 E HN 0.547 nan 8.360 nan 0.000 0.417 358 I N -0.283 120.348 120.570 0.101 0.000 2.608 358 I HA 0.485 4.655 4.170 -0.000 0.000 0.295 358 I C -0.874 175.201 176.117 -0.069 0.000 1.049 358 I CA -0.868 60.458 61.300 0.043 0.000 1.063 358 I CB 2.001 40.012 38.000 0.020 0.000 1.248 358 I HN 0.379 nan 8.210 nan 0.000 0.424 359 N N 3.827 122.418 118.700 -0.182 0.000 2.410 359 N HA 0.427 5.166 4.740 -0.000 0.000 0.287 359 N C -1.675 173.660 175.510 -0.291 0.000 1.044 359 N CA -0.284 52.486 53.050 -0.466 0.000 0.881 359 N CB 1.947 39.941 38.487 -0.821 0.000 1.405 359 N HN 0.715 nan 8.380 nan 0.000 0.490 360 S N 2.532 118.081 115.700 -0.251 0.000 2.605 360 S HA 0.337 4.806 4.470 -0.000 0.000 0.308 360 S C -0.183 174.336 174.600 -0.134 0.000 1.113 360 S CA -0.615 57.497 58.200 -0.147 0.000 1.049 360 S CB 0.997 64.143 63.200 -0.090 0.000 1.001 360 S HN 0.768 nan 8.310 nan 0.000 0.480 361 N N 2.760 121.404 118.700 -0.093 0.000 2.735 361 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 361 N C -0.537 174.955 175.510 -0.030 0.000 1.083 361 N CA 1.050 54.073 53.050 -0.045 0.000 0.703 361 N CB -0.837 37.636 38.487 -0.024 0.000 1.005 361 N HN 0.784 nan 8.380 nan 0.000 0.550 362 E N -3.329 116.811 120.200 -0.100 0.000 2.637 362 E HA -0.196 4.154 4.350 -0.000 0.000 0.265 362 E C -0.585 176.086 176.600 0.119 0.000 1.073 362 E CA 0.873 57.264 56.400 -0.015 0.000 0.778 362 E CB -1.861 27.918 29.700 0.133 0.000 1.362 362 E HN 0.409 nan 8.360 nan 0.000 0.413 363 V N 0.932 120.799 119.914 -0.079 0.000 2.444 363 V HA 0.463 4.583 4.120 -0.000 0.000 0.294 363 V C -0.295 175.742 176.094 -0.096 0.000 1.022 363 V CA -0.707 61.601 62.300 0.013 0.000 0.850 363 V CB 1.135 32.878 31.823 -0.133 0.000 0.992 363 V HN 0.074 nan 8.190 nan 0.000 0.426 364 Y N 1.747 122.058 120.300 0.018 0.000 2.364 364 Y HA 0.670 5.219 4.550 -0.000 0.000 0.340 364 Y C 0.639 176.590 175.900 0.086 0.000 0.975 364 Y CA -0.318 57.800 58.100 0.030 0.000 1.089 364 Y CB 2.317 40.785 38.460 0.013 0.000 1.192 364 Y HN 0.599 nan 8.280 nan 0.000 0.454 365 S N 2.993 118.812 115.700 0.198 0.000 2.664 365 S HA 0.702 5.172 4.470 -0.000 0.000 0.304 365 S C -0.965 173.708 174.600 0.122 0.000 1.099 365 S CA -0.871 57.441 58.200 0.187 0.000 1.003 365 S CB 1.036 64.286 63.200 0.084 0.000 1.092 365 S HN 0.453 nan 8.310 nan 0.000 0.525 366 L N 2.333 123.598 121.223 0.071 0.000 2.305 366 L HA 0.590 4.930 4.340 -0.000 0.000 0.284 366 L C -0.280 176.580 176.870 -0.017 0.000 1.013 366 L CA -0.960 53.872 54.840 -0.013 0.000 0.819 366 L CB 1.360 43.339 42.059 -0.133 0.000 1.227 366 L HN 0.441 nan 8.230 nan 0.000 0.417 367 V N 0.044 119.872 119.914 -0.143 0.000 2.716 367 V HA 0.509 4.629 4.120 -0.000 0.000 0.304 367 V C -0.773 175.304 176.094 -0.028 0.000 1.053 367 V CA -0.605 61.617 62.300 -0.131 0.000 0.984 367 V CB 1.756 33.422 31.823 -0.262 0.000 1.021 367 V HN 0.557 nan 8.190 nan 0.000 0.467 368 F N 3.782 123.687 119.950 -0.075 0.000 2.375 368 F HA 0.833 5.360 4.527 -0.000 0.000 0.361 368 F C 0.216 176.076 175.800 0.101 0.000 1.117 368 F CA -0.610 57.411 58.000 0.034 0.000 1.037 368 F CB 0.547 39.570 39.000 0.039 0.000 1.192 368 F HN 0.955 nan 8.300 nan 0.000 0.452 369 A N 6.586 129.217 122.820 -0.314 0.000 2.324 369 A HA 0.716 5.036 4.320 -0.000 0.000 0.330 369 A C -0.521 176.887 177.584 -0.293 0.000 1.165 369 A CA -0.903 51.015 52.037 -0.197 0.000 0.813 369 A CB 0.835 19.820 19.000 -0.025 0.000 1.197 369 A HN 0.818 nan 8.150 nan 0.000 0.484 370 R N 2.303 122.706 120.500 -0.163 0.000 2.204 370 R HA 0.301 4.641 4.340 -0.000 0.000 0.341 370 R C -0.900 175.312 176.300 -0.147 0.000 1.035 370 R CA -0.225 55.777 56.100 -0.165 0.000 0.887 370 R CB 0.648 30.922 30.300 -0.043 0.000 1.114 370 R HN 0.643 nan 8.270 nan 0.000 0.473 371 L N 4.427 125.533 121.223 -0.194 0.000 2.480 371 L HA 0.086 4.426 4.340 -0.000 0.000 0.243 371 L C 1.357 178.158 176.870 -0.114 0.000 1.315 371 L CA -0.233 54.536 54.840 -0.118 0.000 1.231 371 L CB 0.249 42.255 42.059 -0.088 0.000 1.444 371 L HN 0.533 nan 8.230 nan 0.000 0.409 372 V N 1.082 120.940 119.914 -0.094 0.000 2.270 372 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 372 V C 2.471 178.538 176.094 -0.046 0.000 1.043 372 V CA 2.220 64.478 62.300 -0.070 0.000 1.014 372 V CB -0.596 31.198 31.823 -0.047 0.000 0.645 372 V HN 0.807 nan 8.190 nan 0.000 0.447 373 G N -0.394 108.385 108.800 -0.035 0.000 2.418 373 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.217 373 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.217 373 G C 1.434 176.318 174.900 -0.026 0.000 1.158 373 G CA 0.956 46.042 45.100 -0.025 0.000 0.771 373 G HN 0.534 nan 8.290 nan 0.000 0.545 374 E N -0.175 120.006 120.200 -0.032 0.000 2.077 374 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 374 E C 2.294 178.872 176.600 -0.037 0.000 0.989 374 E CA 0.544 56.928 56.400 -0.028 0.000 0.800 374 E CB -0.348 29.332 29.700 -0.033 0.000 0.746 374 E HN 0.338 nan 8.360 nan 0.000 0.452 375 L N 0.929 122.124 121.223 -0.047 0.000 2.093 375 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 375 L C 2.247 179.084 176.870 -0.054 0.000 1.085 375 L CA 1.700 56.509 54.840 -0.052 0.000 0.755 375 L CB -0.292 41.751 42.059 -0.026 0.000 0.904 375 L HN -0.007 nan 8.230 nan 0.000 0.435 376 R N -0.305 120.169 120.500 -0.043 0.000 2.073 376 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 376 R C 2.319 178.580 176.300 -0.064 0.000 1.134 376 R CA 2.179 58.252 56.100 -0.045 0.000 0.952 376 R CB -0.435 29.847 30.300 -0.031 0.000 0.850 376 R HN 0.452 nan 8.270 nan 0.000 0.433 377 I N 0.664 121.203 120.570 -0.052 0.000 2.179 377 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 377 I C 2.356 178.378 176.117 -0.158 0.000 1.088 377 I CA 1.305 62.567 61.300 -0.064 0.000 1.357 377 I CB -0.207 37.804 38.000 0.018 0.000 1.051 377 I HN 0.231 nan 8.210 nan 0.000 0.409 378 I N 0.650 121.138 120.570 -0.136 0.000 2.163 378 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 378 I C 2.500 178.462 176.117 -0.259 0.000 1.085 378 I CA 1.619 62.793 61.300 -0.211 0.000 1.347 378 I CB -0.370 37.544 38.000 -0.145 0.000 1.044 378 I HN 0.169 nan 8.210 nan 0.000 0.408 379 K N -0.014 120.281 120.400 -0.174 0.000 2.097 379 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 379 K C 2.347 178.839 176.600 -0.180 0.000 1.049 379 K CA 1.609 57.805 56.287 -0.153 0.000 0.933 379 K CB -0.265 32.182 32.500 -0.087 0.000 0.717 379 K HN 0.194 nan 8.250 nan 0.000 0.442 380 S N 0.673 116.265 115.700 -0.180 0.000 2.356 380 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 380 S C 2.034 176.475 174.600 -0.265 0.000 1.032 380 S CA 1.230 59.324 58.200 -0.176 0.000 1.005 380 S CB -0.175 62.944 63.200 -0.134 0.000 0.867 380 S HN 0.081 nan 8.310 nan 0.000 0.449 381 V N 2.206 121.863 119.914 -0.428 0.000 2.343 381 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 381 V C 2.421 178.023 176.094 -0.820 0.000 1.051 381 V CA 1.799 63.691 62.300 -0.679 0.000 1.036 381 V CB -0.721 30.456 31.823 -1.076 0.000 0.654 381 V HN 0.481 nan 8.190 nan 0.000 0.451 382 L N -0.417 120.399 121.223 -0.679 0.000 2.131 382 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 382 L C 2.631 179.410 176.870 -0.153 0.000 1.092 382 L CA 1.509 56.081 54.840 -0.447 0.000 0.759 382 L CB -0.568 41.340 42.059 -0.253 0.000 0.903 382 L HN 0.363 nan 8.230 nan 0.000 0.435 383 Q N 0.148 119.851 119.800 -0.161 0.000 2.084 383 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 383 Q C 2.314 178.261 176.000 -0.089 0.000 0.978 383 Q CA 2.156 57.900 55.803 -0.099 0.000 0.844 383 Q CB -0.160 28.510 28.738 -0.114 0.000 0.898 383 Q HN 0.339 nan 8.270 nan 0.000 0.426 384 S N -0.426 115.216 115.700 -0.097 0.000 2.359 384 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 384 S C 1.331 176.073 174.600 0.236 0.000 1.035 384 S CA 1.231 59.423 58.200 -0.013 0.000 1.018 384 S CB -0.503 62.761 63.200 0.107 0.000 0.876 384 S HN 0.498 nan 8.310 nan 0.000 0.448 385 W N 1.913 123.301 121.300 0.147 0.000 2.355 385 W HA 0.029 4.689 4.660 0.000 0.000 0.309 385 W C 2.402 179.068 176.519 0.246 0.000 1.206 385 W CA 0.440 57.984 57.345 0.332 0.000 1.284 385 W CB -1.163 28.491 29.460 0.324 0.000 1.145 385 W HN 0.291 nan 8.180 nan 0.000 0.502 386 K N 0.177 120.787 120.400 0.350 0.000 2.057 386 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 386 K C 1.756 178.420 176.600 0.106 0.000 1.049 386 K CA 1.682 58.090 56.287 0.203 0.000 0.931 386 K CB -0.250 32.316 32.500 0.109 0.000 0.714 386 K HN -0.035 nan 8.250 nan 0.000 0.440 387 N N 0.219 118.900 118.700 -0.031 0.000 2.080 387 N HA -0.156 4.584 4.740 -0.000 0.000 0.189 387 N C 1.538 176.939 175.510 -0.183 0.000 1.036 387 N CA 1.509 54.416 53.050 -0.238 0.000 0.846 387 N CB -0.529 37.637 38.487 -0.536 0.000 1.015 387 N HN 0.351 nan 8.380 nan 0.000 0.423 388 W N 1.596 122.938 121.300 0.071 0.000 2.381 388 W HA -0.082 4.578 4.660 -0.000 0.000 0.301 388 W C 1.848 178.514 176.519 0.244 0.000 1.205 388 W CA 0.177 57.586 57.345 0.107 0.000 1.285 388 W CB -0.157 29.212 29.460 -0.152 0.000 1.133 388 W HN 0.010 nan 8.180 nan 0.000 0.521 389 D N -0.425 120.261 120.400 0.475 0.000 2.117 389 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 389 D C 2.202 178.636 176.300 0.224 0.000 0.987 389 D CA 1.766 55.976 54.000 0.350 0.000 0.829 389 D CB -0.794 40.181 40.800 0.292 0.000 0.961 389 D HN 0.004 nan 8.370 nan 0.000 0.460 390 S N -0.564 115.243 115.700 0.178 0.000 2.368 390 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 390 S C 1.976 176.649 174.600 0.122 0.000 1.029 390 S CA 1.625 59.890 58.200 0.108 0.000 0.988 390 S CB -0.272 62.961 63.200 0.055 0.000 0.838 390 S HN 0.413 nan 8.310 nan 0.000 0.462 391 H N 1.233 120.350 119.070 0.079 0.000 2.289 391 H HA -0.022 4.534 4.556 -0.000 0.000 0.296 391 H C 1.899 177.323 175.328 0.161 0.000 1.091 391 H CA 2.360 58.475 56.048 0.112 0.000 1.274 391 H CB -0.627 29.259 29.762 0.206 0.000 1.364 391 H HN 0.401 nan 8.280 nan 0.000 0.490 392 L N -0.625 120.607 121.223 0.015 0.000 2.093 392 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 392 L C 2.724 179.561 176.870 -0.056 0.000 1.085 392 L CA 1.271 56.048 54.840 -0.105 0.000 0.755 392 L CB -0.494 41.591 42.059 0.043 0.000 0.904 392 L HN 0.272 nan 8.230 nan 0.000 0.435 393 S N -0.857 114.853 115.700 0.016 0.000 2.419 393 S HA -0.117 4.353 4.470 -0.000 0.000 0.233 393 S C 2.028 176.626 174.600 -0.003 0.000 1.016 393 S CA 1.273 59.482 58.200 0.016 0.000 0.974 393 S CB -0.013 63.213 63.200 0.042 0.000 0.786 393 S HN 0.352 nan 8.310 nan 0.000 0.492 394 S N 0.569 116.262 115.700 -0.011 0.000 2.548 394 S HA 0.305 4.775 4.470 -0.000 0.000 0.215 394 S C 0.556 175.143 174.600 -0.021 0.000 0.976 394 S CA -0.184 58.013 58.200 -0.006 0.000 0.908 394 S CB -0.003 63.204 63.200 0.011 0.000 0.781 394 S HN 0.384 nan 8.310 nan 0.000 0.519 395 I N 1.864 122.402 120.570 -0.054 0.000 2.752 395 I HA -0.056 4.114 4.170 -0.000 0.000 0.289 395 I C 0.608 176.706 176.117 -0.031 0.000 1.197 395 I CA -0.182 61.087 61.300 -0.052 0.000 1.432 395 I CB 0.232 38.180 38.000 -0.088 0.000 1.359 395 I HN 0.185 nan 8.210 nan 0.000 0.571 396 c N 7.873 126.461 118.600 -0.019 0.000 2.383 396 c HA 0.288 4.857 4.570 -0.000 0.000 0.350 396 c C 1.091 175.165 174.090 -0.026 0.000 1.173 396 c CA -0.579 55.739 56.329 -0.018 0.000 1.645 396 c CB -1.370 41.134 42.510 -0.010 0.000 2.221 396 c HN 0.862 nan 8.230 nan 0.000 0.528 397 T N 5.183 119.717 114.554 -0.033 0.000 2.904 397 T HA 0.432 4.782 4.350 -0.000 0.000 0.290 397 T C -2.598 172.075 174.700 -0.044 0.000 1.018 397 T CA -1.394 60.679 62.100 -0.044 0.000 1.075 397 T CB 0.815 69.653 68.868 -0.049 0.000 0.986 397 T HN 0.536 nan 8.240 nan 0.000 0.523 398 P HA 0.288 nan 4.420 nan 0.000 0.265 398 P C -0.157 177.118 177.300 -0.042 0.000 1.193 398 P CA -0.109 62.958 63.100 -0.054 0.000 0.765 398 P CB 0.123 31.775 31.700 -0.080 0.000 0.823 410 c N 0.204 118.797 118.600 -0.012 0.000 2.634 410 c HA 0.876 5.446 4.570 -0.000 0.000 0.313 410 c C 1.156 175.235 174.090 -0.018 0.000 1.198 410 c CA 0.193 56.513 56.329 -0.016 0.000 1.605 410 c CB 0.959 43.460 42.510 -0.015 0.000 2.196 410 c HN 1.155 nan 8.230 nan 0.000 0.486 411 G N 1.763 110.549 108.800 -0.023 0.000 2.535 411 G HA2 0.535 4.495 3.960 -0.000 0.000 0.282 411 G HA3 0.535 4.495 3.960 -0.000 0.000 0.282 411 G C -2.698 172.187 174.900 -0.024 0.000 1.350 411 G CA -0.520 44.566 45.100 -0.024 0.000 1.039 411 G HN 0.556 nan 8.290 nan 0.000 0.509 412 P HA 0.304 nan 4.420 nan 0.000 0.268 412 P C -0.063 177.219 177.300 -0.029 0.000 1.208 412 P CA 0.009 63.093 63.100 -0.027 0.000 0.777 412 P CB 0.527 32.208 31.700 -0.031 0.000 0.875 413 A N 2.431 125.236 122.820 -0.025 0.000 2.386 413 A HA 0.253 4.573 4.320 -0.000 0.000 0.248 413 A C 0.017 177.586 177.584 -0.026 0.000 1.082 413 A CA -0.445 51.578 52.037 -0.023 0.000 0.789 413 A CB -0.027 18.964 19.000 -0.014 0.000 1.025 413 A HN 0.392 nan 8.150 nan 0.000 0.490 414 V N 1.760 121.659 119.914 -0.025 0.000 2.599 414 V HA 0.121 4.241 4.120 -0.000 0.000 0.300 414 V C 1.257 177.353 176.094 0.004 0.000 1.034 414 V CA 0.550 62.839 62.300 -0.018 0.000 1.115 414 V CB 0.978 32.787 31.823 -0.023 0.000 0.934 414 V HN 0.972 nan 8.190 nan 0.000 0.485 415 T N 3.330 117.890 114.554 0.009 0.000 2.869 415 T HA 0.257 4.607 4.350 -0.000 0.000 0.295 415 T C 0.937 175.723 174.700 0.144 0.000 0.987 415 T CA 0.177 62.298 62.100 0.035 0.000 1.109 415 T CB 0.761 69.606 68.868 -0.039 0.000 0.932 415 T HN 1.023 nan 8.240 nan 0.000 0.518 416 T N 1.409 116.023 114.554 0.100 0.000 3.044 416 T HA 0.260 4.610 4.350 -0.000 0.000 0.260 416 T C 0.375 175.099 174.700 0.040 0.000 1.019 416 T CA -0.292 61.854 62.100 0.076 0.000 0.921 416 T CB 0.053 68.960 68.868 0.065 0.000 1.053 416 T HN 0.363 nan 8.240 nan 0.000 0.533 417 V N 2.450 122.404 119.914 0.066 0.000 2.439 417 V HA 0.535 4.655 4.120 -0.000 0.000 0.271 417 V C 1.609 177.730 176.094 0.044 0.000 1.040 417 V CA 0.847 63.161 62.300 0.023 0.000 1.002 417 V CB -0.194 31.632 31.823 0.005 0.000 1.000 417 V HN 0.825 nan 8.190 nan 0.000 0.477 418 G N 4.483 113.250 108.800 -0.054 0.000 2.159 418 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.256 418 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.256 418 G C -0.072 174.694 174.900 -0.223 0.000 0.977 418 G CA 0.145 45.174 45.100 -0.119 0.000 0.652 418 G HN 0.800 nan 8.290 nan 0.000 0.531 419 L N 2.050 123.063 121.223 -0.350 0.000 2.385 419 L HA 0.593 4.933 4.340 -0.000 0.000 0.281 419 L C 1.523 177.937 176.870 -0.760 0.000 1.106 419 L CA 0.699 55.043 54.840 -0.826 0.000 0.856 419 L CB 1.250 42.858 42.059 -0.752 0.000 1.186 419 L HN 0.690 nan 8.230 nan 0.000 0.453 420 V N 2.489 122.007 119.914 -0.660 0.000 3.263 420 V HA 0.646 4.766 4.120 -0.000 0.000 0.248 420 V C 0.721 176.625 176.094 -0.316 0.000 1.145 420 V CA 0.760 62.749 62.300 -0.517 0.000 1.107 420 V CB -0.141 31.462 31.823 -0.366 0.000 0.797 420 V HN 0.784 nan 8.190 nan 0.000 0.467 421 G N -0.681 108.009 108.800 -0.184 0.000 2.659 421 G HA2 0.647 4.607 3.960 -0.000 0.000 0.296 421 G HA3 0.647 4.607 3.960 -0.000 0.000 0.296 421 G C -1.931 173.275 174.900 0.511 0.000 1.369 421 G CA -0.654 44.642 45.100 0.326 0.000 0.937 421 G HN 0.370 nan 8.290 nan 0.000 0.485 422 F N 1.774 121.931 119.950 0.345 0.000 2.689 422 F HA 0.521 5.048 4.527 -0.000 0.000 0.332 422 F C -1.429 174.229 175.800 -0.237 0.000 1.209 422 F CA -1.127 56.896 58.000 0.038 0.000 1.028 422 F CB 1.291 40.336 39.000 0.076 0.000 1.291 422 F HN 0.293 nan 8.300 nan 0.000 0.500 423 L N 6.206 127.121 121.223 -0.514 0.000 2.287 423 L HA 0.551 4.891 4.340 -0.000 0.000 0.287 423 L C -0.033 176.356 176.870 -0.802 0.000 1.022 423 L CA -0.196 53.998 54.840 -1.078 0.000 0.814 423 L CB 1.559 42.341 42.059 -2.128 0.000 1.217 423 L HN 0.685 nan 8.230 nan 0.000 0.420 424 S N 0.271 115.647 115.700 -0.540 0.000 4.174 424 S HA 0.127 4.597 4.470 -0.000 0.000 0.210 424 S C 1.011 175.685 174.600 0.122 0.000 1.163 424 S CA -0.010 58.046 58.200 -0.240 0.000 1.560 424 S CB 0.122 62.845 63.200 -0.794 0.000 1.473 424 S HN 0.798 nan 8.310 nan 0.000 0.742 425 H N 1.386 120.396 119.070 -0.100 0.000 2.389 425 H HA 0.360 4.916 4.556 -0.000 0.000 0.299 425 H C 0.878 176.202 175.328 -0.007 0.000 1.081 425 H CA 1.711 57.743 56.048 -0.027 0.000 1.345 425 H CB -0.273 29.462 29.762 -0.045 0.000 1.393 425 H HN 0.251 nan 8.280 nan 0.000 0.520 426 S N -0.095 115.635 115.700 0.051 0.000 2.531 426 S HA 0.543 5.013 4.470 -0.000 0.000 0.279 426 S C -0.673 173.956 174.600 0.049 0.000 1.305 426 S CA 0.021 58.238 58.200 0.029 0.000 1.058 426 S CB -0.003 63.228 63.200 0.052 0.000 0.899 426 S HN 0.595 nan 8.310 nan 0.000 0.493 427 A N 3.558 126.359 122.820 -0.031 0.000 2.604 427 A HA 0.729 5.049 4.320 -0.000 0.000 0.295 427 A C -0.102 177.450 177.584 -0.054 0.000 1.067 427 A CA -0.576 51.438 52.037 -0.038 0.000 0.683 427 A CB 1.137 20.002 19.000 -0.226 0.000 1.281 427 A HN 0.885 nan 8.150 nan 0.000 0.407 428 T N -1.484 113.055 114.554 -0.025 0.000 2.870 428 T HA 0.522 4.872 4.350 -0.000 0.000 0.277 428 T C 1.007 175.681 174.700 -0.042 0.000 1.000 428 T CA -0.002 62.084 62.100 -0.022 0.000 0.982 428 T CB 1.044 69.920 68.868 0.013 0.000 1.249 428 T HN 0.625 nan 8.240 nan 0.000 0.589 429 K N 0.450 120.831 120.400 -0.030 0.000 2.152 429 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 429 K C 1.807 178.394 176.600 -0.022 0.000 1.048 429 K CA 2.313 58.578 56.287 -0.037 0.000 0.933 429 K CB -0.815 31.671 32.500 -0.023 0.000 0.721 429 K HN 0.851 nan 8.250 nan 0.000 0.447 430 T N -3.210 111.347 114.554 0.005 0.000 3.091 430 T HA 0.321 4.671 4.350 -0.000 0.000 0.277 430 T C -0.170 174.565 174.700 0.058 0.000 0.996 430 T CA -0.694 61.424 62.100 0.029 0.000 0.897 430 T CB 0.210 69.098 68.868 0.033 0.000 1.109 430 T HN 0.054 nan 8.240 nan 0.000 0.534 431 E N 0.092 120.327 120.200 0.058 0.000 2.340 431 E HA 0.376 4.726 4.350 -0.000 0.000 0.273 431 E C -1.915 174.774 176.600 0.148 0.000 0.891 431 E CA -0.913 55.554 56.400 0.112 0.000 0.757 431 E CB 1.875 31.641 29.700 0.109 0.000 1.231 431 E HN 0.202 nan 8.360 nan 0.000 0.439 432 W N 2.926 124.203 121.300 -0.038 0.000 2.376 432 W HA 0.277 4.937 4.660 -0.000 0.000 0.312 432 W C -0.555 175.901 176.519 -0.106 0.000 1.060 432 W CA -0.928 56.359 57.345 -0.097 0.000 1.221 432 W CB 0.790 30.173 29.460 -0.129 0.000 1.281 432 W HN 0.503 nan 8.180 nan 0.000 0.456 433 E N 3.153 123.490 120.200 0.228 0.000 2.259 433 E HA -0.002 4.348 4.350 -0.000 0.000 0.281 433 E C -0.546 176.032 176.600 -0.036 0.000 1.027 433 E CA -0.448 56.004 56.400 0.088 0.000 0.838 433 E CB 1.146 30.901 29.700 0.092 0.000 1.066 433 E HN 0.191 nan 8.360 nan 0.000 0.401 434 D N 2.088 122.521 120.400 0.054 0.000 2.417 434 D HA 0.041 4.681 4.640 -0.000 0.000 0.250 434 D C 0.639 176.980 176.300 0.067 0.000 1.166 434 D CA 0.068 54.138 54.000 0.116 0.000 0.881 434 D CB 1.291 42.315 40.800 0.373 0.000 1.164 434 D HN 0.495 nan 8.370 nan 0.000 0.467 435 A N 3.923 126.665 122.820 -0.130 0.000 1.972 435 A HA -0.198 4.121 4.320 -0.000 0.000 0.219 435 A C 1.512 179.034 177.584 -0.103 0.000 1.169 435 A CA 1.095 52.906 52.037 -0.376 0.000 0.635 435 A CB -0.701 17.664 19.000 -1.059 0.000 0.810 435 A HN 0.747 nan 8.150 nan 0.000 0.446 436 Y N -1.199 119.267 120.300 0.276 0.000 2.529 436 Y HA 0.152 4.702 4.550 -0.000 0.000 0.290 436 Y C 0.962 177.223 175.900 0.601 0.000 1.177 436 Y CA 0.591 58.975 58.100 0.473 0.000 1.305 436 Y CB -0.035 38.554 38.460 0.216 0.000 1.047 436 Y HN 0.345 nan 8.280 nan 0.000 0.522 437 R N -2.722 118.088 120.500 0.518 0.000 3.875 437 R HA -0.260 4.080 4.340 -0.000 0.000 0.321 437 R C 0.554 177.229 176.300 0.624 0.000 1.196 437 R CA 0.742 57.130 56.100 0.480 0.000 0.868 437 R CB -2.626 27.897 30.300 0.372 0.000 1.333 437 R HN 0.434 nan 8.270 nan 0.000 0.522 438 C N -1.192 118.468 119.300 0.600 0.000 2.464 438 C HA 0.255 4.715 4.460 -0.000 0.000 0.348 438 C C 0.803 175.990 174.990 0.330 0.000 1.367 438 C CA 0.250 59.592 59.018 0.540 0.000 2.012 438 C CB 0.792 28.856 27.740 0.541 0.000 2.434 438 C HN 0.253 nan 8.230 nan 0.000 0.536 439 V N 3.040 123.173 119.914 0.365 0.000 2.509 439 V HA 0.348 4.468 4.120 -0.000 0.000 0.289 439 V C -1.283 175.110 176.094 0.499 0.000 1.026 439 V CA -0.504 61.974 62.300 0.298 0.000 0.872 439 V CB 1.184 33.012 31.823 0.008 0.000 1.017 439 V HN 0.340 nan 8.190 nan 0.000 0.436 440 N N 2.413 121.310 118.700 0.329 0.000 2.445 440 N HA 0.704 5.444 4.740 -0.000 0.000 0.264 440 N C 0.114 175.780 175.510 0.261 0.000 1.227 440 N CA -0.175 53.026 53.050 0.251 0.000 0.963 440 N CB 1.691 40.286 38.487 0.180 0.000 1.188 440 N HN 0.839 nan 8.380 nan 0.000 0.491 441 A N 0.055 122.920 122.820 0.074 0.000 2.306 441 A HA 0.519 4.839 4.320 -0.000 0.000 0.314 441 A C 0.209 177.904 177.584 0.185 0.000 1.164 441 A CA -0.650 51.460 52.037 0.123 0.000 0.822 441 A CB 0.159 19.111 19.000 -0.080 0.000 1.130 441 A HN 0.655 nan 8.150 nan 0.000 0.496 442 S N 1.150 116.956 115.700 0.178 0.000 2.601 442 S HA 0.696 5.166 4.470 -0.000 0.000 0.271 442 S C 0.234 174.931 174.600 0.161 0.000 1.305 442 S CA 0.204 58.490 58.200 0.142 0.000 1.022 442 S CB 1.011 64.272 63.200 0.101 0.000 0.940 442 S HN 1.462 nan 8.310 nan 0.000 0.525 443 T N -2.383 112.256 114.554 0.142 0.000 2.883 443 T HA 0.847 5.197 4.350 -0.000 0.000 0.296 443 T C -0.769 174.006 174.700 0.126 0.000 1.117 443 T CA -0.744 61.461 62.100 0.175 0.000 1.006 443 T CB 1.467 70.455 68.868 0.199 0.000 1.191 443 T HN 1.456 nan 8.240 nan 0.000 0.508 444 A N 1.303 124.218 122.820 0.159 0.000 2.520 444 A HA 0.745 5.065 4.320 -0.000 0.000 0.298 444 A C -0.252 177.430 177.584 0.163 0.000 1.051 444 A CA -0.975 51.130 52.037 0.115 0.000 0.690 444 A CB 0.696 19.743 19.000 0.079 0.000 1.281 444 A HN 1.035 nan 8.150 nan 0.000 0.402 445 N N -1.204 117.552 118.700 0.094 0.000 2.727 445 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 445 N C -0.157 175.396 175.510 0.071 0.000 1.048 445 N CA 1.353 54.452 53.050 0.081 0.000 0.714 445 N CB -1.319 37.231 38.487 0.106 0.000 0.959 445 N HN 1.480 nan 8.380 nan 0.000 0.544 446 A N -0.054 122.750 122.820 -0.027 0.000 2.330 446 A HA 0.606 4.926 4.320 -0.000 0.000 0.327 446 A C 0.143 177.546 177.584 -0.302 0.000 1.155 446 A CA -0.629 51.238 52.037 -0.282 0.000 0.803 446 A CB 1.350 20.125 19.000 -0.375 0.000 1.208 446 A HN 0.255 nan 8.150 nan 0.000 0.477 447 E N 2.448 122.419 120.200 -0.381 0.000 2.171 447 E HA 0.373 4.723 4.350 -0.000 0.000 0.271 447 E C -0.546 175.828 176.600 -0.377 0.000 0.916 447 E CA -0.704 55.518 56.400 -0.297 0.000 0.774 447 E CB 0.851 30.416 29.700 -0.226 0.000 1.128 447 E HN 0.655 nan 8.360 nan 0.000 0.403 448 R N 2.187 122.495 120.500 -0.320 0.000 2.442 448 R HA 0.224 4.564 4.340 -0.000 0.000 0.291 448 R C 0.014 176.148 176.300 -0.276 0.000 1.069 448 R CA -0.157 55.732 56.100 -0.352 0.000 1.022 448 R CB 0.806 30.918 30.300 -0.312 0.000 0.976 448 R HN 0.427 nan 8.270 nan 0.000 0.443 449 V N 0.443 120.189 119.914 -0.280 0.000 3.160 449 V HA 0.562 4.682 4.120 -0.000 0.000 0.310 449 V C -2.670 173.373 176.094 -0.085 0.000 1.181 449 V CA -3.210 58.999 62.300 -0.151 0.000 1.047 449 V CB 2.033 33.783 31.823 -0.122 0.000 1.068 449 V HN 0.520 nan 8.190 nan 0.000 0.441 450 P HA 0.234 nan 4.420 nan 0.000 0.263 450 P C -0.094 177.337 177.300 0.218 0.000 1.195 450 P CA 0.743 63.982 63.100 0.230 0.000 0.762 450 P CB -0.115 31.662 31.700 0.128 0.000 0.799 451 N N 1.234 120.189 118.700 0.425 0.000 2.741 451 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 451 N C 0.594 176.222 175.510 0.195 0.000 1.112 451 N CA 1.728 54.929 53.050 0.253 0.000 0.750 451 N CB -1.473 37.129 38.487 0.192 0.000 1.119 451 N HN 0.710 nan 8.380 nan 0.000 0.561 452 G N -1.258 107.574 108.800 0.053 0.000 2.441 452 G HA2 0.503 4.463 3.960 -0.000 0.000 0.225 452 G HA3 0.503 4.463 3.960 -0.000 0.000 0.225 452 G C -1.855 172.747 174.900 -0.497 0.000 1.200 452 G CA -0.568 44.526 45.100 -0.009 0.000 0.947 452 G HN 0.102 nan 8.290 nan 0.000 0.484 453 L N 0.279 121.070 121.223 -0.720 0.000 2.409 453 L HA 0.645 4.985 4.340 -0.000 0.000 0.262 453 L C -0.559 175.795 176.870 -0.861 0.000 0.992 453 L CA -0.856 53.373 54.840 -1.017 0.000 0.817 453 L CB 2.692 43.729 42.059 -1.702 0.000 1.350 453 L HN 0.614 nan 8.230 nan 0.000 0.411 454 K N 2.027 121.979 120.400 -0.746 0.000 2.274 454 K HA 0.640 4.960 4.320 -0.000 0.000 0.262 454 K C -1.634 174.657 176.600 -0.515 0.000 0.961 454 K CA -0.332 55.703 56.287 -0.420 0.000 0.833 454 K CB 1.027 33.398 32.500 -0.216 0.000 1.102 454 K HN 0.299 nan 8.250 nan 0.000 0.436 455 F N 2.015 121.953 119.950 -0.021 0.000 2.507 455 F HA 0.748 5.275 4.527 -0.000 0.000 0.327 455 F C 0.130 175.943 175.800 0.023 0.000 1.068 455 F CA -0.738 57.251 58.000 -0.018 0.000 0.965 455 F CB 2.342 41.338 39.000 -0.007 0.000 1.192 455 F HN 0.593 nan 8.300 nan 0.000 0.476 456 A N 1.040 123.988 122.820 0.214 0.000 2.604 456 A HA 0.802 5.122 4.320 -0.000 0.000 0.295 456 A C -0.448 177.201 177.584 0.108 0.000 1.067 456 A CA -0.272 51.847 52.037 0.137 0.000 0.683 456 A CB 1.280 20.327 19.000 0.079 0.000 1.281 456 A HN 1.812 nan 8.150 nan 0.000 0.407 457 G N -0.746 108.105 108.800 0.085 0.000 2.692 457 G HA2 0.314 4.273 3.960 -0.000 0.000 0.686 457 G HA3 0.314 4.273 3.960 -0.000 0.000 0.686 457 G C -0.408 174.527 174.900 0.058 0.000 1.243 457 G CA -0.500 44.638 45.100 0.063 0.000 0.782 457 G HN 1.810 nan 8.290 nan 0.000 0.625 458 V N 2.070 122.012 119.914 0.046 0.000 2.617 458 V HA 0.395 4.515 4.120 -0.000 0.000 0.304 458 V C 2.020 178.142 176.094 0.046 0.000 1.040 458 V CA 2.335 64.662 62.300 0.045 0.000 1.149 458 V CB 0.636 32.480 31.823 0.035 0.000 0.914 458 V HN 2.841 nan 8.190 nan 0.000 0.487 459 G N 3.584 112.416 108.800 0.053 0.000 2.199 459 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.254 459 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.254 459 G C 0.559 175.491 174.900 0.054 0.000 0.982 459 G CA -0.039 45.092 45.100 0.050 0.000 0.632 459 G HN 1.373 nan 8.290 nan 0.000 0.529 460 G N -0.391 108.444 108.800 0.058 0.000 2.539 460 G HA2 0.790 4.750 3.960 -0.000 0.000 0.258 460 G HA3 0.790 4.750 3.960 -0.000 0.000 0.258 460 G C 0.623 175.499 174.900 -0.039 0.000 1.202 460 G CA 1.006 46.153 45.100 0.078 0.000 0.851 460 G HN 1.885 nan 8.290 nan 0.000 0.556 461 G N -1.368 107.337 108.800 -0.159 0.000 2.347 461 G HA2 0.552 4.512 3.960 -0.000 0.000 0.341 461 G HA3 0.552 4.512 3.960 -0.000 0.000 0.341 461 G C -0.747 173.911 174.900 -0.403 0.000 1.287 461 G CA -0.017 44.667 45.100 -0.693 0.000 0.984 461 G HN 1.923 nan 8.290 nan 0.000 0.526 462 A N -0.920 121.712 122.820 -0.314 0.000 2.413 462 A HA 0.920 5.240 4.320 -0.000 0.000 0.307 462 A C -0.848 176.841 177.584 0.175 0.000 1.087 462 A CA -0.387 51.708 52.037 0.097 0.000 0.750 462 A CB 1.913 21.145 19.000 0.388 0.000 1.296 462 A HN 1.997 nan 8.150 nan 0.000 0.423 463 L N 1.377 122.726 121.223 0.210 0.000 2.376 463 L HA 0.614 4.954 4.340 -0.000 0.000 0.275 463 L C -1.835 175.247 176.870 0.354 0.000 0.987 463 L CA -0.444 54.547 54.840 0.252 0.000 0.828 463 L CB 1.207 43.303 42.059 0.063 0.000 1.249 463 L HN 0.798 nan 8.230 nan 0.000 0.409 464 W N 8.878 130.332 121.300 0.257 0.000 2.282 464 W HA 0.460 5.120 4.660 -0.000 0.000 0.322 464 W C -2.351 174.318 176.519 0.249 0.000 1.011 464 W CA -2.848 54.660 57.345 0.271 0.000 1.392 464 W CB 0.983 30.656 29.460 0.356 0.000 1.215 464 W HN 0.302 nan 8.180 nan 0.000 0.394 465 P HA 0.035 nan 4.420 nan 0.000 0.271 465 P C 0.074 177.354 177.300 -0.033 0.000 1.216 465 P CA 0.381 63.555 63.100 0.123 0.000 0.771 465 P CB 2.292 34.031 31.700 0.064 0.000 0.864 466 V N 2.762 122.609 119.914 -0.111 0.000 3.945 466 V HA -0.046 4.074 4.120 -0.000 0.000 0.196 466 V C 2.502 178.488 176.094 -0.179 0.000 1.110 466 V CA 1.475 63.636 62.300 -0.232 0.000 1.411 466 V CB -1.169 30.373 31.823 -0.468 0.000 1.707 466 V HN 0.613 nan 8.190 nan 0.000 0.477 467 S N -0.236 115.368 115.700 -0.160 0.000 2.447 467 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 467 S C 1.649 176.213 174.600 -0.061 0.000 1.006 467 S CA 1.030 59.171 58.200 -0.098 0.000 0.957 467 S CB -0.394 62.757 63.200 -0.083 0.000 0.773 467 S HN 0.528 nan 8.310 nan 0.000 0.507 468 Q N 1.233 121.007 119.800 -0.043 0.000 2.500 468 Q HA 0.036 4.376 4.340 -0.000 0.000 0.213 468 Q C 1.908 177.893 176.000 -0.025 0.000 0.974 468 Q CA 0.764 56.554 55.803 -0.021 0.000 0.918 468 Q CB -0.541 28.194 28.738 -0.005 0.000 0.980 468 Q HN 0.767 nan 8.270 nan 0.000 0.505 469 Q N -0.465 119.303 119.800 -0.053 0.000 2.291 469 Q HA -0.040 4.300 4.340 -0.000 0.000 0.206 469 Q C 0.943 176.937 176.000 -0.009 0.000 0.976 469 Q CA 0.735 56.511 55.803 -0.046 0.000 0.875 469 Q CB 0.090 28.759 28.738 -0.115 0.000 0.927 469 Q HN 0.482 nan 8.270 nan 0.000 0.450 470 G N 0.630 109.419 108.800 -0.018 0.000 2.669 470 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.250 470 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.250 470 G C 0.403 175.308 174.900 0.007 0.000 1.247 470 G CA 0.273 45.372 45.100 -0.000 0.000 0.958 470 G HN 0.336 nan 8.290 nan 0.000 0.559 471 Q N 0.710 120.541 119.800 0.050 0.000 2.084 471 Q HA -0.034 4.306 4.340 -0.000 0.000 0.202 471 Q C 0.781 176.797 176.000 0.027 0.000 0.978 471 Q CA 1.825 57.667 55.803 0.066 0.000 0.844 471 Q CB -0.185 28.646 28.738 0.155 0.000 0.898 471 Q HN 0.621 nan 8.270 nan 0.000 0.426 472 N N 0.736 119.461 118.700 0.042 0.000 2.417 472 N HA 0.222 4.962 4.740 -0.000 0.000 0.274 472 N C -1.665 173.744 175.510 -0.169 0.000 0.987 472 N CA -0.250 52.742 53.050 -0.096 0.000 0.912 472 N CB 1.659 40.155 38.487 0.016 0.000 1.177 472 N HN 0.072 nan 8.380 nan 0.000 0.490 473 Q N 1.720 121.345 119.800 -0.292 0.000 2.523 473 Q HA 0.258 4.597 4.340 -0.000 0.000 0.251 473 Q C 0.305 176.129 176.000 -0.293 0.000 1.033 473 Q CA -0.319 55.344 55.803 -0.234 0.000 0.746 473 Q CB 1.201 29.859 28.738 -0.133 0.000 1.189 473 Q HN 0.472 nan 8.270 nan 0.000 0.508 474 R N 0.479 120.799 120.500 -0.301 0.000 2.189 474 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 474 R C 0.606 176.925 176.300 0.032 0.000 1.092 474 R CA 1.128 57.099 56.100 -0.215 0.000 0.989 474 R CB 0.299 30.500 30.300 -0.165 0.000 0.876 474 R HN 0.576 nan 8.270 nan 0.000 0.457 475 Y N -0.710 119.392 120.300 -0.330 0.000 2.658 475 Y HA 0.072 4.622 4.550 -0.000 0.000 0.276 475 Y C 1.807 177.188 175.900 -0.864 0.000 1.167 475 Y CA -0.655 56.989 58.100 -0.761 0.000 1.230 475 Y CB 0.212 38.279 38.460 -0.655 0.000 1.144 475 Y HN 0.206 nan 8.280 nan 0.000 0.529 476 H N 1.151 120.000 119.070 -0.368 0.000 2.457 476 H HA -0.214 4.342 4.556 -0.000 0.000 0.297 476 H C 1.783 177.005 175.328 -0.177 0.000 1.092 476 H CA 1.991 57.880 56.048 -0.265 0.000 1.309 476 H CB -0.127 29.519 29.762 -0.194 0.000 1.382 476 H HN 0.614 nan 8.280 nan 0.000 0.535 477 F N 0.017 120.011 119.950 0.073 0.000 2.236 477 F HA -0.089 4.438 4.527 -0.000 0.000 0.302 477 F C 2.547 178.410 175.800 0.104 0.000 1.073 477 F CA 0.844 58.903 58.000 0.098 0.000 1.336 477 F CB -0.814 38.199 39.000 0.022 0.000 1.040 477 F HN 0.092 nan 8.300 nan 0.000 0.507 478 A N 1.208 123.741 122.820 -0.478 0.000 2.070 478 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 478 A C 1.932 179.547 177.584 0.051 0.000 1.159 478 A CA 1.567 53.548 52.037 -0.093 0.000 0.656 478 A CB -0.891 17.820 19.000 -0.483 0.000 0.800 478 A HN 0.541 nan 8.150 nan 0.000 0.453 479 N N -0.648 117.928 118.700 -0.207 0.000 2.520 479 N HA -0.090 4.650 4.740 -0.000 0.000 0.185 479 N C 1.064 176.345 175.510 -0.382 0.000 1.068 479 N CA 1.018 53.875 53.050 -0.321 0.000 0.911 479 N CB -0.241 37.905 38.487 -0.567 0.000 0.961 479 N HN 0.689 nan 8.380 nan 0.000 0.446 480 H N -0.680 118.419 119.070 0.050 0.000 2.426 480 H HA 0.468 5.024 4.556 -0.000 0.000 0.286 480 H C 0.394 175.774 175.328 0.087 0.000 0.990 480 H CA 0.477 56.565 56.048 0.068 0.000 1.237 480 H CB 1.016 30.824 29.762 0.076 0.000 1.466 480 H HN 0.064 nan 8.280 nan 0.000 0.525 481 A N 0.650 123.638 122.820 0.280 0.000 2.594 481 A HA 0.499 4.819 4.320 -0.000 0.000 0.296 481 A C -1.768 176.029 177.584 0.354 0.000 1.061 481 A CA -0.592 51.547 52.037 0.171 0.000 0.689 481 A CB 1.126 20.183 19.000 0.095 0.000 1.280 481 A HN 0.233 nan 8.150 nan 0.000 0.406 482 F N -1.417 118.616 119.950 0.137 0.000 2.741 482 F HA 0.851 5.378 4.527 0.000 0.000 0.311 482 F C -0.826 175.007 175.800 0.055 0.000 1.149 482 F CA -0.637 57.455 58.000 0.152 0.000 0.930 482 F CB 1.238 40.374 39.000 0.227 0.000 1.312 482 F HN 0.457 nan 8.300 nan 0.000 0.450 483 T N 3.032 117.744 114.554 0.264 0.000 2.881 483 T HA 0.643 4.993 4.350 -0.000 0.000 0.290 483 T C -1.823 173.034 174.700 0.261 0.000 1.000 483 T CA -0.404 61.783 62.100 0.146 0.000 0.978 483 T CB 1.602 70.468 68.868 -0.005 0.000 0.997 483 T HN 0.782 nan 8.240 nan 0.000 0.443 484 L N 4.670 126.015 121.223 0.203 0.000 2.333 484 L HA 0.823 5.163 4.340 -0.000 0.000 0.280 484 L C -1.257 175.615 176.870 0.003 0.000 1.004 484 L CA -0.518 54.333 54.840 0.018 0.000 0.820 484 L CB 1.484 43.467 42.059 -0.127 0.000 1.247 484 L HN 0.479 nan 8.230 nan 0.000 0.416 485 V N 4.009 123.922 119.914 -0.002 0.000 2.656 485 V HA 1.007 5.127 4.120 -0.000 0.000 0.307 485 V C -0.331 175.728 176.094 -0.057 0.000 1.051 485 V CA -0.200 62.064 62.300 -0.060 0.000 0.893 485 V CB 1.377 33.208 31.823 0.013 0.000 0.999 485 V HN 1.014 nan 8.190 nan 0.000 0.426 486 A N 2.614 125.358 122.820 -0.127 0.000 2.612 486 A HA 0.839 5.159 4.320 -0.000 0.000 0.293 486 A C -0.757 176.825 177.584 -0.004 0.000 1.075 486 A CA -0.552 51.476 52.037 -0.016 0.000 0.680 486 A CB 1.935 20.945 19.000 0.018 0.000 1.279 486 A HN 0.647 nan 8.150 nan 0.000 0.411 487 S N 0.138 115.912 115.700 0.123 0.000 2.462 487 S HA 0.681 5.151 4.470 -0.000 0.000 0.294 487 S C -0.092 174.600 174.600 0.153 0.000 1.144 487 S CA -0.225 58.078 58.200 0.172 0.000 1.088 487 S CB 1.129 64.458 63.200 0.214 0.000 1.009 487 S HN 1.783 nan 8.310 nan 0.000 0.484 488 V N 0.786 120.791 119.914 0.153 0.000 2.962 488 V HA 0.910 5.030 4.120 -0.000 0.000 0.313 488 V C -0.651 175.505 176.094 0.102 0.000 1.099 488 V CA -0.573 61.797 62.300 0.117 0.000 0.971 488 V CB 2.023 33.896 31.823 0.084 0.000 1.028 488 V HN 0.686 nan 8.190 nan 0.000 0.430 489 T N 4.044 118.582 114.554 -0.028 0.000 2.928 489 T HA 0.651 5.001 4.350 -0.000 0.000 0.296 489 T C -0.615 173.818 174.700 -0.444 0.000 1.000 489 T CA -0.122 61.891 62.100 -0.144 0.000 0.989 489 T CB 1.324 70.106 68.868 -0.144 0.000 1.005 489 T HN 0.706 nan 8.240 nan 0.000 0.442 490 I N 3.210 123.525 120.570 -0.424 0.000 2.353 490 I HA 0.297 4.467 4.170 -0.000 0.000 0.293 490 I C 0.976 176.862 176.117 -0.384 0.000 0.992 490 I CA -0.600 60.346 61.300 -0.588 0.000 1.268 490 I CB 1.032 38.461 38.000 -0.951 0.000 1.387 490 I HN 0.750 nan 8.210 nan 0.000 0.478 491 H N 4.081 123.138 119.070 -0.023 0.000 2.648 491 H HA 0.276 4.831 4.556 -0.000 0.000 0.265 491 H C -0.079 175.301 175.328 0.087 0.000 0.961 491 H CA 0.202 56.278 56.048 0.048 0.000 1.185 491 H CB 0.712 30.496 29.762 0.036 0.000 1.449 491 H HN 0.605 nan 8.280 nan 0.000 0.523 492 E N 0.382 120.694 120.200 0.188 0.000 2.352 492 E HA 0.317 4.667 4.350 -0.000 0.000 0.280 492 E C -1.335 175.407 176.600 0.236 0.000 0.930 492 E CA -0.563 55.955 56.400 0.197 0.000 0.765 492 E CB 2.221 32.022 29.700 0.168 0.000 1.219 492 E HN -0.200 nan 8.360 nan 0.000 0.434 493 V N 5.339 125.389 119.914 0.225 0.000 2.521 493 V HA 0.268 4.388 4.120 -0.000 0.000 0.286 493 V C -1.717 174.477 176.094 0.167 0.000 1.034 493 V CA -0.788 61.645 62.300 0.222 0.000 1.045 493 V CB 0.445 32.312 31.823 0.072 0.000 0.974 493 V HN 0.650 nan 8.190 nan 0.000 0.480 494 P HA 0.347 nan 4.420 nan 0.000 0.278 494 P C 0.008 177.321 177.300 0.021 0.000 1.266 494 P CA -0.729 62.404 63.100 0.054 0.000 0.807 494 P CB 1.406 33.050 31.700 -0.094 0.000 1.094 495 K N -0.568 119.835 120.400 0.004 0.000 2.366 495 K HA 0.244 4.564 4.320 -0.000 0.000 0.198 495 K C 1.118 177.710 176.600 -0.012 0.000 1.044 495 K CA 0.678 56.968 56.287 0.004 0.000 0.973 495 K CB -0.036 32.468 32.500 0.007 0.000 0.767 495 K HN 0.686 nan 8.250 nan 0.000 0.475 496 G N -0.387 108.389 108.800 -0.040 0.000 2.559 496 G HA2 0.498 4.458 3.960 -0.000 0.000 0.291 496 G HA3 0.498 4.458 3.960 -0.000 0.000 0.291 496 G C -1.630 173.205 174.900 -0.108 0.000 1.424 496 G CA -0.648 44.423 45.100 -0.048 0.000 0.786 496 G HN 0.062 nan 8.290 nan 0.000 0.485 497 A N 0.094 122.859 122.820 -0.091 0.000 2.566 497 A HA 0.521 4.841 4.320 -0.000 0.000 0.245 497 A C 0.606 178.057 177.584 -0.222 0.000 1.056 497 A CA 0.929 52.881 52.037 -0.142 0.000 0.757 497 A CB -0.253 18.715 19.000 -0.053 0.000 0.979 497 A HN 1.210 nan 8.150 nan 0.000 0.508 498 S N 4.102 119.521 115.700 -0.469 0.000 2.526 498 S HA 0.720 5.190 4.470 -0.000 0.000 0.293 498 S C -2.799 171.546 174.600 -0.426 0.000 1.092 498 S CA -0.985 56.917 58.200 -0.497 0.000 0.980 498 S CB 2.114 64.897 63.200 -0.695 0.000 1.048 498 S HN 0.699 nan 8.310 nan 0.000 0.483 499 P HA 0.344 nan 4.420 nan 0.000 0.278 499 P C -0.196 177.154 177.300 0.082 0.000 1.238 499 P CA -0.440 62.553 63.100 -0.179 0.000 0.794 499 P CB 1.267 32.529 31.700 -0.729 0.000 0.955 500 L N 1.072 122.417 121.223 0.204 0.000 2.663 500 L HA 0.345 4.685 4.340 -0.000 0.000 0.218 500 L C 0.231 177.154 176.870 0.090 0.000 1.043 500 L CA 0.262 55.200 54.840 0.162 0.000 0.876 500 L CB 0.459 42.608 42.059 0.150 0.000 1.263 500 L HN 0.267 nan 8.230 nan 0.000 0.486 501 L N -0.726 120.526 121.223 0.047 0.000 2.591 501 L HA 0.740 5.080 4.340 -0.000 0.000 0.257 501 L C -0.960 175.659 176.870 -0.418 0.000 0.935 501 L CA 0.075 54.816 54.840 -0.165 0.000 0.873 501 L CB 1.983 43.986 42.059 -0.094 0.000 1.397 501 L HN 0.028 nan 8.230 nan 0.000 0.414 502 G N 2.100 110.363 108.800 -0.896 0.000 2.349 502 G HA2 0.691 4.651 3.960 -0.000 0.000 0.294 502 G HA3 0.691 4.651 3.960 -0.000 0.000 0.294 502 G C -2.117 172.485 174.900 -0.498 0.000 1.380 502 G CA -0.144 44.538 45.100 -0.696 0.000 0.811 502 G HN 0.956 nan 8.290 nan 0.000 0.519 503 A N -0.065 122.696 122.820 -0.097 0.000 2.287 503 A HA 0.810 5.130 4.320 -0.000 0.000 0.317 503 A C 0.115 177.655 177.584 -0.074 0.000 1.220 503 A CA 0.019 51.975 52.037 -0.133 0.000 0.835 503 A CB 1.341 20.291 19.000 -0.084 0.000 1.180 503 A HN 1.583 nan 8.150 nan 0.000 0.500 504 S N 2.047 117.614 115.700 -0.221 0.000 2.489 504 S HA 0.500 4.970 4.470 -0.000 0.000 0.291 504 S C 0.878 175.325 174.600 -0.255 0.000 1.151 504 S CA -0.665 57.414 58.200 -0.202 0.000 1.082 504 S CB 0.430 63.342 63.200 -0.481 0.000 1.019 504 S HN 0.593 nan 8.310 nan 0.000 0.492 505 L N 2.637 123.778 121.223 -0.137 0.000 2.270 505 L HA 0.182 4.522 4.340 -0.000 0.000 0.210 505 L C 0.948 177.765 176.870 -0.088 0.000 1.104 505 L CA 0.370 55.140 54.840 -0.118 0.000 0.804 505 L CB -0.141 41.872 42.059 -0.076 0.000 0.937 505 L HN 0.694 nan 8.230 nan 0.000 0.450 506 D N -1.883 118.477 120.400 -0.067 0.000 2.506 506 D HA 0.066 4.706 4.640 -0.000 0.000 0.254 506 D C 0.913 177.249 176.300 0.060 0.000 1.089 506 D CA 0.145 54.130 54.000 -0.024 0.000 1.050 506 D CB 1.243 42.020 40.800 -0.038 0.000 1.221 506 D HN -0.090 nan 8.370 nan 0.000 0.589 507 S N -0.628 115.107 115.700 0.058 0.000 2.453 507 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 507 S C 1.805 176.462 174.600 0.096 0.000 1.005 507 S CA 1.270 59.531 58.200 0.102 0.000 0.949 507 S CB -0.694 62.511 63.200 0.008 0.000 0.774 507 S HN 0.569 nan 8.310 nan 0.000 0.510 508 S N 0.687 116.388 115.700 0.002 0.000 2.425 508 S HA 0.414 4.884 4.470 -0.000 0.000 0.225 508 S C 1.830 176.305 174.600 -0.207 0.000 1.024 508 S CA 0.804 58.938 58.200 -0.110 0.000 0.951 508 S CB -0.702 62.392 63.200 -0.177 0.000 0.796 508 S HN 1.459 nan 8.310 nan 0.000 0.498 509 G N 0.158 108.867 108.800 -0.151 0.000 2.213 509 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.226 509 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.226 509 G C 0.993 175.646 174.900 -0.412 0.000 0.992 509 G CA 0.116 45.022 45.100 -0.323 0.000 0.632 509 G HN 0.988 nan 8.290 nan 0.000 0.511 510 G N 0.076 108.657 108.800 -0.365 0.000 2.443 510 G HA2 0.124 4.084 3.960 -0.000 0.000 0.219 510 G HA3 0.124 4.084 3.960 -0.000 0.000 0.219 510 G C 0.782 175.606 174.900 -0.127 0.000 1.131 510 G CA 1.300 46.246 45.100 -0.257 0.000 0.775 510 G HN 0.590 nan 8.290 nan 0.000 0.547 511 K N 1.080 121.421 120.400 -0.098 0.000 2.347 511 K HA 0.330 4.650 4.320 -0.000 0.000 0.262 511 K C -0.495 176.085 176.600 -0.033 0.000 1.052 511 K CA -0.408 55.847 56.287 -0.053 0.000 0.946 511 K CB 0.350 32.820 32.500 -0.050 0.000 1.220 511 K HN 0.041 nan 8.250 nan 0.000 0.450 512 K N 3.278 123.681 120.400 0.005 0.000 2.098 512 K HA 0.175 4.495 4.320 -0.000 0.000 0.258 512 K C 0.650 177.271 176.600 0.036 0.000 0.973 512 K CA -0.658 55.659 56.287 0.051 0.000 0.898 512 K CB 1.534 34.102 32.500 0.113 0.000 1.057 512 K HN 0.322 nan 8.250 nan 0.000 0.447 513 L N 2.087 123.334 121.223 0.041 0.000 2.200 513 L HA 0.278 4.617 4.340 -0.000 0.000 0.200 513 L C -0.463 176.459 176.870 0.087 0.000 1.072 513 L CA 1.235 56.107 54.840 0.054 0.000 0.787 513 L CB 0.302 42.393 42.059 0.053 0.000 0.957 513 L HN 0.540 nan 8.230 nan 0.000 0.459 514 L N -0.229 121.058 121.223 0.106 0.000 2.588 514 L HA 0.756 5.096 4.340 -0.000 0.000 0.263 514 L C -0.714 176.186 176.870 0.050 0.000 0.935 514 L CA 0.390 55.268 54.840 0.064 0.000 0.891 514 L CB 1.383 43.529 42.059 0.146 0.000 1.318 514 L HN 0.149 nan 8.230 nan 0.000 0.409 515 G N 3.017 111.794 108.800 -0.038 0.000 2.682 515 G HA2 0.624 4.583 3.960 -0.000 0.000 0.290 515 G HA3 0.624 4.583 3.960 -0.000 0.000 0.290 515 G C -2.556 172.316 174.900 -0.047 0.000 1.425 515 G CA -0.692 44.416 45.100 0.015 0.000 0.807 515 G HN 0.736 nan 8.290 nan 0.000 0.482 516 L N 0.506 121.736 121.223 0.011 0.000 2.381 516 L HA 0.837 5.177 4.340 -0.000 0.000 0.274 516 L C -0.188 176.766 176.870 0.140 0.000 0.988 516 L CA -0.240 54.611 54.840 0.019 0.000 0.824 516 L CB 1.853 43.868 42.059 -0.074 0.000 1.263 516 L HN 0.531 nan 8.230 nan 0.000 0.410 517 S N 2.739 118.544 115.700 0.175 0.000 2.715 517 S HA 0.803 5.273 4.470 -0.000 0.000 0.307 517 S C -1.500 173.283 174.600 0.305 0.000 1.119 517 S CA -0.346 57.960 58.200 0.176 0.000 0.937 517 S CB 1.636 64.868 63.200 0.054 0.000 1.150 517 S HN 0.577 nan 8.310 nan 0.000 0.521 518 Y N -0.391 119.935 120.300 0.043 0.000 2.553 518 Y HA 0.814 5.363 4.550 -0.000 0.000 0.347 518 Y C -0.975 174.975 175.900 0.084 0.000 1.019 518 Y CA -1.235 56.863 58.100 -0.005 0.000 1.032 518 Y CB 0.901 39.032 38.460 -0.548 0.000 1.284 518 Y HN 0.664 nan 8.280 nan 0.000 0.466 519 D N -0.093 120.466 120.400 0.266 0.000 2.585 519 D HA 0.241 4.881 4.640 -0.000 0.000 0.254 519 D C 0.148 176.545 176.300 0.161 0.000 1.067 519 D CA -1.085 52.977 54.000 0.103 0.000 1.090 519 D CB 1.385 42.224 40.800 0.065 0.000 1.408 519 D HN 0.715 nan 8.370 nan 0.000 0.554 520 K N -0.783 119.642 120.400 0.042 0.000 2.442 520 K HA 0.022 4.342 4.320 -0.000 0.000 0.198 520 K C 0.841 177.423 176.600 -0.029 0.000 1.042 520 K CA 0.595 56.887 56.287 0.007 0.000 0.958 520 K CB -0.017 32.488 32.500 0.009 0.000 0.766 520 K HN 0.195 nan 8.250 nan 0.000 0.474 521 R N 0.613 121.100 120.500 -0.023 0.000 2.515 521 R HA 0.095 4.435 4.340 -0.000 0.000 0.294 521 R C -0.699 175.534 176.300 -0.112 0.000 1.021 521 R CA -0.218 55.868 56.100 -0.023 0.000 1.081 521 R CB -0.270 30.021 30.300 -0.015 0.000 1.263 521 R HN 0.364 nan 8.270 nan 0.000 0.557 522 H N -0.248 118.530 119.070 -0.487 0.000 2.776 522 H HA -0.205 4.351 4.556 -0.000 0.000 0.300 522 H C -0.418 174.253 175.328 -1.095 0.000 1.161 522 H CA 0.902 56.135 56.048 -1.358 0.000 1.147 522 H CB -1.251 27.791 29.762 -1.200 0.000 1.366 522 H HN 0.364 nan 8.280 nan 0.000 0.397 523 Q N -0.903 118.757 119.800 -0.233 0.000 2.297 523 Q HA 0.337 4.677 4.340 -0.000 0.000 0.268 523 Q C -0.170 175.977 176.000 0.245 0.000 1.045 523 Q CA -0.955 54.821 55.803 -0.047 0.000 0.861 523 Q CB 1.548 30.304 28.738 0.031 0.000 1.344 523 Q HN 0.341 nan 8.270 nan 0.000 0.452 524 W N 1.125 122.627 121.300 0.337 0.000 2.261 524 W HA 0.238 4.897 4.660 -0.000 0.000 0.323 524 W C 0.159 176.759 176.519 0.134 0.000 1.243 524 W CA -0.311 57.164 57.345 0.217 0.000 1.210 524 W CB 0.819 30.346 29.460 0.113 0.000 1.149 524 W HN 0.284 nan 8.180 nan 0.000 0.562 525 Q N 4.284 124.307 119.800 0.371 0.000 2.558 525 Q HA 0.217 4.557 4.340 -0.000 0.000 0.252 525 Q C -2.302 173.768 176.000 0.117 0.000 1.015 525 Q CA -1.932 53.991 55.803 0.201 0.000 0.720 525 Q CB 1.635 30.454 28.738 0.135 0.000 1.215 525 Q HN 0.029 nan 8.270 nan 0.000 0.500 526 P HA 0.247 nan 4.420 nan 0.000 0.279 526 P C -0.553 176.555 177.300 -0.319 0.000 1.239 526 P CA -0.093 62.900 63.100 -0.178 0.000 0.789 526 P CB 1.259 32.849 31.700 -0.183 0.000 0.933 527 I N 3.515 123.813 120.570 -0.453 0.000 2.418 527 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 527 I C -0.533 175.312 176.117 -0.453 0.000 1.008 527 I CA -0.866 60.259 61.300 -0.292 0.000 1.104 527 I CB 1.329 39.292 38.000 -0.062 0.000 1.264 527 I HN 0.252 nan 8.210 nan 0.000 0.438 528 Y N 4.911 125.233 120.300 0.038 0.000 2.478 528 Y HA 0.564 5.114 4.550 0.000 0.000 0.329 528 Y C 1.147 177.060 175.900 0.022 0.000 0.967 528 Y CA -0.311 57.804 58.100 0.023 0.000 1.255 528 Y CB 1.177 39.639 38.460 0.004 0.000 1.103 528 Y HN 0.886 nan 8.280 nan 0.000 0.497 529 G N 1.854 110.725 108.800 0.119 0.000 2.634 529 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.309 529 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.309 529 G C 1.067 176.004 174.900 0.061 0.000 1.265 529 G CA 0.739 45.885 45.100 0.076 0.000 0.998 529 G HN 0.959 nan 8.290 nan 0.000 0.551 530 S N -0.740 114.990 115.700 0.049 0.000 2.577 530 S HA 0.412 4.882 4.470 -0.000 0.000 0.219 530 S C 0.813 175.441 174.600 0.047 0.000 0.962 530 S CA 1.068 59.290 58.200 0.036 0.000 0.921 530 S CB 0.202 63.413 63.200 0.019 0.000 0.789 530 S HN 0.892 nan 8.310 nan 0.000 0.497 531 T N 5.300 119.898 114.554 0.073 0.000 2.902 531 T HA 0.257 4.607 4.350 -0.000 0.000 0.301 531 T C -2.440 172.309 174.700 0.082 0.000 1.012 531 T CA -0.547 61.600 62.100 0.078 0.000 1.151 531 T CB 0.229 69.164 68.868 0.110 0.000 0.946 531 T HN 0.215 nan 8.240 nan 0.000 0.542 532 P HA 0.084 nan 4.420 nan 0.000 0.264 532 P C -0.631 176.718 177.300 0.081 0.000 1.183 532 P CA -0.220 62.914 63.100 0.056 0.000 0.763 532 P CB 0.303 32.027 31.700 0.041 0.000 0.807 533 V N 3.946 123.905 119.914 0.075 0.000 2.530 533 V HA 0.173 4.293 4.120 -0.000 0.000 0.282 533 V C 0.604 176.752 176.094 0.090 0.000 1.048 533 V CA 0.347 62.702 62.300 0.092 0.000 0.997 533 V CB 0.917 32.782 31.823 0.070 0.000 0.987 533 V HN 0.525 nan 8.190 nan 0.000 0.477 534 T N 7.465 122.088 114.554 0.116 0.000 2.788 534 T HA 0.401 4.751 4.350 -0.000 0.000 0.296 534 T C -2.489 172.282 174.700 0.118 0.000 1.009 534 T CA -1.031 61.129 62.100 0.100 0.000 0.949 534 T CB 1.490 70.414 68.868 0.093 0.000 0.946 534 T HN 0.454 nan 8.240 nan 0.000 0.453 535 P HA 0.404 nan 4.420 nan 0.000 0.269 535 P C -0.251 177.129 177.300 0.133 0.000 1.215 535 P CA -0.146 63.030 63.100 0.128 0.000 0.780 535 P CB 0.653 32.410 31.700 0.096 0.000 0.898 536 T N 0.007 114.670 114.554 0.182 0.000 2.830 536 T HA 0.567 4.917 4.350 -0.000 0.000 0.322 536 T C -0.276 174.572 174.700 0.247 0.000 1.501 536 T CA 0.510 62.715 62.100 0.175 0.000 1.036 536 T CB 0.566 69.531 68.868 0.162 0.000 1.379 536 T HN 0.771 nan 8.240 nan 0.000 0.493 537 G N 1.894 110.810 108.800 0.194 0.000 2.645 537 G HA2 0.113 4.073 3.960 -0.000 0.000 0.246 537 G HA3 0.113 4.073 3.960 -0.000 0.000 0.246 537 G C -0.166 174.787 174.900 0.087 0.000 1.322 537 G CA 0.267 45.504 45.100 0.228 0.000 0.898 537 G HN 1.704 nan 8.290 nan 0.000 0.573 538 S N -0.310 115.423 115.700 0.054 0.000 2.536 538 S HA 0.756 5.226 4.470 -0.000 0.000 0.271 538 S C -0.956 173.548 174.600 -0.160 0.000 1.134 538 S CA 0.360 58.470 58.200 -0.151 0.000 0.897 538 S CB 0.963 64.120 63.200 -0.072 0.000 1.094 538 S HN 1.769 nan 8.310 nan 0.000 0.473 539 W N 2.334 123.416 121.300 -0.364 0.000 3.033 539 W HA 0.707 5.367 4.660 -0.000 0.000 0.336 539 W C -1.338 175.199 176.519 0.030 0.000 1.173 539 W CA -0.824 56.319 57.345 -0.337 0.000 1.185 539 W CB 0.452 29.238 29.460 -1.123 0.000 1.425 539 W HN 0.615 nan 8.180 nan 0.000 0.536 540 E N 2.268 122.817 120.200 0.582 0.000 2.195 540 E HA 0.371 4.721 4.350 -0.000 0.000 0.271 540 E C -0.417 176.539 176.600 0.594 0.000 0.923 540 E CA -1.228 55.426 56.400 0.423 0.000 0.790 540 E CB 3.056 32.914 29.700 0.264 0.000 1.155 540 E HN 0.329 nan 8.360 nan 0.000 0.402 541 M N 1.372 121.264 119.600 0.488 0.000 2.248 541 M HA 0.116 4.595 4.480 -0.000 0.000 0.345 541 M C 0.953 177.405 176.300 0.252 0.000 1.243 541 M CA 1.478 57.024 55.300 0.411 0.000 1.090 541 M CB 0.124 32.936 32.600 0.353 0.000 1.683 541 M HN 0.916 nan 8.290 nan 0.000 0.450 542 G N 3.026 111.933 108.800 0.179 0.000 2.184 542 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.264 542 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.264 542 G C 0.055 175.008 174.900 0.089 0.000 0.975 542 G CA 0.670 45.854 45.100 0.141 0.000 0.642 542 G HN 0.680 nan 8.290 nan 0.000 0.536 543 K N 0.640 121.095 120.400 0.092 0.000 2.172 543 K HA 0.504 4.823 4.320 -0.000 0.000 0.276 543 K C 0.641 177.111 176.600 -0.216 0.000 1.013 543 K CA -0.986 55.261 56.287 -0.066 0.000 0.913 543 K CB 0.534 32.970 32.500 -0.108 0.000 1.055 543 K HN 0.153 nan 8.250 nan 0.000 0.461 544 R N 4.044 124.410 120.500 -0.224 0.000 2.340 544 R HA 0.142 4.482 4.340 -0.000 0.000 0.300 544 R C -1.434 174.686 176.300 -0.299 0.000 1.069 544 R CA 0.066 56.080 56.100 -0.142 0.000 0.984 544 R CB 0.334 30.627 30.300 -0.011 0.000 1.003 544 R HN 0.600 nan 8.270 nan 0.000 0.459 545 Y N 1.570 121.988 120.300 0.197 0.000 2.485 545 Y HA 0.233 4.783 4.550 -0.000 0.000 0.345 545 Y C -0.151 175.875 175.900 0.210 0.000 0.998 545 Y CA -0.914 57.326 58.100 0.233 0.000 1.059 545 Y CB 1.656 40.273 38.460 0.260 0.000 1.234 545 Y HN 0.659 nan 8.280 nan 0.000 0.461 546 H N 1.585 120.833 119.070 0.297 0.000 2.517 546 H HA 0.658 5.214 4.556 -0.000 0.000 0.317 546 H C -1.445 173.938 175.328 0.092 0.000 1.080 546 H CA -0.478 55.700 56.048 0.217 0.000 1.301 546 H CB 0.767 30.747 29.762 0.364 0.000 1.425 546 H HN 0.421 nan 8.280 nan 0.000 0.471 547 V N 6.432 126.168 119.914 -0.297 0.000 2.495 547 V HA 0.376 4.496 4.120 -0.000 0.000 0.298 547 V C -0.661 175.246 176.094 -0.311 0.000 1.031 547 V CA -0.809 61.333 62.300 -0.264 0.000 0.871 547 V CB 1.709 33.404 31.823 -0.214 0.000 0.988 547 V HN 0.600 nan 8.190 nan 0.000 0.432 548 V N 6.133 125.960 119.914 -0.145 0.000 2.531 548 V HA 0.517 4.636 4.120 -0.000 0.000 0.301 548 V C -0.509 175.619 176.094 0.057 0.000 1.034 548 V CA -0.472 61.788 62.300 -0.067 0.000 0.865 548 V CB 1.901 33.673 31.823 -0.084 0.000 0.995 548 V HN 0.651 nan 8.190 nan 0.000 0.424 549 L N 4.979 126.223 121.223 0.035 0.000 2.313 549 L HA 0.762 5.102 4.340 -0.000 0.000 0.283 549 L C 0.197 177.066 176.870 -0.001 0.000 1.013 549 L CA -0.308 54.567 54.840 0.057 0.000 0.816 549 L CB 2.120 44.248 42.059 0.114 0.000 1.236 549 L HN 0.789 nan 8.230 nan 0.000 0.419 550 T N 0.633 115.149 114.554 -0.063 0.000 2.908 550 T HA 0.718 5.068 4.350 -0.000 0.000 0.290 550 T C -0.535 173.914 174.700 -0.418 0.000 1.034 550 T CA -0.779 61.167 62.100 -0.255 0.000 1.010 550 T CB 2.563 71.377 68.868 -0.090 0.000 1.068 550 T HN 0.437 nan 8.240 nan 0.000 0.481 551 M N 2.211 121.397 119.600 -0.691 0.000 2.224 551 M HA 0.695 5.175 4.480 -0.000 0.000 0.281 551 M C -1.906 174.214 176.300 -0.301 0.000 1.025 551 M CA -0.410 54.591 55.300 -0.498 0.000 0.954 551 M CB 1.331 33.526 32.600 -0.673 0.000 1.639 551 M HN 1.230 nan 8.290 nan 0.000 0.461 552 A N 4.083 126.815 122.820 -0.146 0.000 2.604 552 A HA 0.663 4.983 4.320 -0.000 0.000 0.295 552 A C -0.242 177.319 177.584 -0.039 0.000 1.067 552 A CA -0.369 51.627 52.037 -0.068 0.000 0.683 552 A CB 0.907 19.872 19.000 -0.058 0.000 1.281 552 A HN 0.990 nan 8.150 nan 0.000 0.407 553 N N 0.701 119.396 118.700 -0.008 0.000 2.725 553 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 553 N C 0.161 175.665 175.510 -0.011 0.000 1.103 553 N CA 1.097 54.145 53.050 -0.002 0.000 0.707 553 N CB -1.298 37.184 38.487 -0.010 0.000 1.043 553 N HN 0.833 nan 8.380 nan 0.000 0.553 554 K N -2.609 117.782 120.400 -0.015 0.000 3.407 554 K HA -0.215 4.105 4.320 -0.000 0.000 0.312 554 K C -0.496 176.093 176.600 -0.019 0.000 1.302 554 K CA 1.301 57.578 56.287 -0.018 0.000 0.931 554 K CB -1.272 31.221 32.500 -0.012 0.000 1.257 554 K HN 0.535 nan 8.250 nan 0.000 0.454 555 I N 0.543 121.094 120.570 -0.031 0.000 2.441 555 I HA 0.370 4.540 4.170 -0.000 0.000 0.295 555 I C 0.699 176.795 176.117 -0.035 0.000 0.994 555 I CA -0.699 60.581 61.300 -0.033 0.000 1.144 555 I CB 1.971 39.944 38.000 -0.045 0.000 1.314 555 I HN 0.085 nan 8.210 nan 0.000 0.445 556 G N 3.371 112.182 108.800 0.018 0.000 2.416 556 G HA2 0.656 4.616 3.960 -0.000 0.000 0.324 556 G HA3 0.656 4.616 3.960 -0.000 0.000 0.324 556 G C -1.034 173.937 174.900 0.119 0.000 1.194 556 G CA -0.287 44.850 45.100 0.062 0.000 0.922 556 G HN 0.520 nan 8.290 nan 0.000 0.467 557 S N -0.328 115.403 115.700 0.053 0.000 2.542 557 S HA 0.704 5.173 4.470 -0.000 0.000 0.293 557 S C -0.627 173.962 174.600 -0.018 0.000 1.089 557 S CA -0.587 57.613 58.200 -0.000 0.000 0.961 557 S CB 2.180 65.324 63.200 -0.094 0.000 1.062 557 S HN 0.537 nan 8.310 nan 0.000 0.483 558 V N 2.936 122.770 119.914 -0.133 0.000 2.483 558 V HA 0.466 4.586 4.120 -0.000 0.000 0.297 558 V C -1.700 174.215 176.094 -0.298 0.000 1.027 558 V CA -0.644 61.575 62.300 -0.134 0.000 0.855 558 V CB 0.895 32.643 31.823 -0.124 0.000 0.995 558 V HN 0.852 nan 8.190 nan 0.000 0.424 559 Y N 4.582 124.801 120.300 -0.136 0.000 2.377 559 Y HA 0.670 5.220 4.550 -0.000 0.000 0.339 559 Y C -0.016 175.758 175.900 -0.210 0.000 1.011 559 Y CA -1.129 56.885 58.100 -0.143 0.000 1.093 559 Y CB 1.767 40.167 38.460 -0.099 0.000 1.201 559 Y HN 0.340 nan 8.280 nan 0.000 0.455 560 I N 3.293 123.813 120.570 -0.084 0.000 2.436 560 I HA 0.191 4.361 4.170 -0.000 0.000 0.289 560 I C -0.414 175.671 176.117 -0.054 0.000 1.010 560 I CA -0.905 60.303 61.300 -0.152 0.000 1.098 560 I CB 1.562 39.352 38.000 -0.350 0.000 1.266 560 I HN 0.738 nan 8.210 nan 0.000 0.434 561 D N 5.242 125.639 120.400 -0.005 0.000 2.708 561 D HA -0.192 4.448 4.640 -0.000 0.000 0.236 561 D C 1.257 176.953 176.300 -1.005 0.000 1.146 561 D CA 1.594 55.352 54.000 -0.404 0.000 0.662 561 D CB -0.946 39.769 40.800 -0.142 0.000 1.059 561 D HN 1.141 nan 8.370 nan 0.000 0.428 562 G N -1.168 107.352 108.800 -0.466 0.000 2.179 562 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.260 562 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.260 562 G C -0.035 174.829 174.900 -0.060 0.000 0.977 562 G CA 0.505 45.404 45.100 -0.336 0.000 0.641 562 G HN 0.402 nan 8.290 nan 0.000 0.533 563 E N 0.853 121.051 120.200 -0.002 0.000 2.222 563 E HA 0.448 4.798 4.350 -0.000 0.000 0.267 563 E C -2.657 173.957 176.600 0.023 0.000 0.884 563 E CA -2.086 54.355 56.400 0.068 0.000 0.764 563 E CB 2.418 32.108 29.700 -0.017 0.000 1.169 563 E HN 0.156 nan 8.360 nan 0.000 0.413 564 P HA 0.097 nan 4.420 nan 0.000 0.271 564 P C 0.235 177.414 177.300 -0.202 0.000 1.216 564 P CA -0.077 62.771 63.100 -0.419 0.000 0.771 564 P CB 0.696 32.127 31.700 -0.449 0.000 0.864 565 L N 1.736 122.846 121.223 -0.189 0.000 2.483 565 L HA 0.045 4.385 4.340 -0.000 0.000 0.275 565 L C 1.435 178.276 176.870 -0.047 0.000 1.220 565 L CA 0.070 54.867 54.840 -0.071 0.000 0.833 565 L CB -0.110 41.929 42.059 -0.033 0.000 1.102 565 L HN 0.466 nan 8.230 nan 0.000 0.490 566 E N 1.135 121.335 120.200 0.001 0.000 2.452 566 E HA 0.099 4.449 4.350 -0.000 0.000 0.261 566 E C 0.944 177.537 176.600 -0.011 0.000 0.987 566 E CA 0.817 57.214 56.400 -0.006 0.000 0.926 566 E CB 0.349 30.061 29.700 0.020 0.000 0.934 566 E HN 0.763 nan 8.360 nan 0.000 0.452 567 G N 2.955 111.722 108.800 -0.054 0.000 2.159 567 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.256 567 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.256 567 G C 0.389 175.176 174.900 -0.187 0.000 0.977 567 G CA 0.391 45.435 45.100 -0.093 0.000 0.652 567 G HN 0.606 nan 8.290 nan 0.000 0.531 568 S N -0.565 115.046 115.700 -0.148 0.000 2.617 568 S HA 0.538 5.008 4.470 -0.000 0.000 0.259 568 S C 1.450 175.888 174.600 -0.271 0.000 1.301 568 S CA 1.451 59.535 58.200 -0.194 0.000 0.984 568 S CB 0.563 63.688 63.200 -0.125 0.000 0.954 568 S HN 2.199 nan 8.310 nan 0.000 0.572 569 G N 1.681 110.332 108.800 -0.249 0.000 2.370 569 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.268 569 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.268 569 G C -0.469 174.279 174.900 -0.254 0.000 1.122 569 G CA -0.342 44.643 45.100 -0.192 0.000 0.963 569 G HN 0.505 nan 8.290 nan 0.000 0.500 570 Q N -0.228 119.349 119.800 -0.373 0.000 2.248 570 Q HA 0.601 4.941 4.340 -0.000 0.000 0.263 570 Q C 0.447 176.369 176.000 -0.129 0.000 1.007 570 Q CA -0.437 55.161 55.803 -0.343 0.000 0.877 570 Q CB 1.349 29.687 28.738 -0.666 0.000 1.315 570 Q HN 0.239 nan 8.270 nan 0.000 0.454 571 T N 1.137 115.643 114.554 -0.081 0.000 2.870 571 T HA 0.190 4.540 4.350 -0.000 0.000 0.300 571 T C 1.112 175.827 174.700 0.024 0.000 0.989 571 T CA -0.063 62.022 62.100 -0.025 0.000 1.139 571 T CB 0.243 69.095 68.868 -0.027 0.000 0.920 571 T HN 0.484 nan 8.240 nan 0.000 0.537 572 V N 1.588 121.526 119.914 0.040 0.000 3.477 572 V HA 0.416 4.536 4.120 -0.000 0.000 0.297 572 V C 0.136 176.250 176.094 0.033 0.000 1.433 572 V CA -0.205 62.135 62.300 0.068 0.000 1.052 572 V CB 0.222 32.106 31.823 0.101 0.000 0.895 572 V HN 0.496 nan 8.190 nan 0.000 0.438 573 V N 2.244 122.164 119.914 0.011 0.000 2.407 573 V HA 0.484 4.604 4.120 -0.000 0.000 0.291 573 V C -2.650 173.441 176.094 -0.005 0.000 1.018 573 V CA -1.878 60.419 62.300 -0.005 0.000 0.842 573 V CB 1.600 33.410 31.823 -0.022 0.000 0.996 573 V HN 0.181 nan 8.190 nan 0.000 0.426 574 P HA 0.059 nan 4.420 nan 0.000 0.250 574 P C -0.304 176.993 177.300 -0.006 0.000 1.198 574 P CA -0.163 62.934 63.100 -0.004 0.000 1.118 574 P CB -0.313 31.384 31.700 -0.004 0.000 1.208 575 D N 2.427 122.825 120.400 -0.005 0.000 2.985 575 D HA 0.034 4.674 4.640 -0.000 0.000 0.253 575 D C 1.385 177.685 176.300 0.001 0.000 1.282 575 D CA 1.083 55.081 54.000 -0.002 0.000 1.560 575 D CB -0.402 40.397 40.800 -0.001 0.000 1.171 575 D HN 0.530 nan 8.370 nan 0.000 0.537 576 E N -0.463 119.737 120.200 -0.001 0.000 3.423 576 E HA 0.504 4.854 4.350 -0.000 0.000 0.222 576 E C 1.088 177.689 176.600 0.003 0.000 1.236 576 E CA 0.151 56.553 56.400 0.003 0.000 1.137 576 E CB -0.229 29.472 29.700 0.001 0.000 3.049 576 E HN 0.426 nan 8.360 nan 0.000 0.608 577 R N 0.777 121.275 120.500 -0.004 0.000 2.615 577 R HA 0.610 4.950 4.340 -0.000 0.000 0.270 577 R C 0.560 176.844 176.300 -0.027 0.000 1.081 577 R CA 0.423 56.519 56.100 -0.007 0.000 1.154 577 R CB -0.374 29.920 30.300 -0.010 0.000 1.063 577 R HN 0.480 nan 8.270 nan 0.000 0.519 578 T N 3.611 118.146 114.554 -0.032 0.000 2.897 578 T HA 0.400 4.750 4.350 -0.000 0.000 0.294 578 T C -1.982 172.650 174.700 -0.114 0.000 1.004 578 T CA -0.617 61.425 62.100 -0.097 0.000 1.106 578 T CB 1.261 70.084 68.868 -0.075 0.000 0.949 578 T HN 0.604 nan 8.240 nan 0.000 0.520 579 P HA 0.210 nan 4.420 nan 0.000 0.270 579 P C -0.599 176.592 177.300 -0.181 0.000 1.223 579 P CA -0.176 62.836 63.100 -0.147 0.000 0.785 579 P CB 0.400 32.005 31.700 -0.158 0.000 0.923 580 D N 1.235 121.543 120.400 -0.153 0.000 2.443 580 D HA 0.240 4.880 4.640 -0.000 0.000 0.281 580 D C -0.373 175.816 176.300 -0.186 0.000 1.210 580 D CA -0.360 53.542 54.000 -0.163 0.000 0.875 580 D CB -0.553 40.193 40.800 -0.089 0.000 1.125 580 D HN 0.152 nan 8.370 nan 0.000 0.503 581 I N 1.590 122.001 120.570 -0.266 0.000 2.741 581 I HA -0.083 4.087 4.170 -0.000 0.000 0.288 581 I C 1.798 177.741 176.117 -0.290 0.000 1.192 581 I CA 0.224 61.330 61.300 -0.323 0.000 1.426 581 I CB 1.119 38.828 38.000 -0.485 0.000 1.367 581 I HN 0.237 nan 8.210 nan 0.000 0.563 582 S N 6.130 121.694 115.700 -0.227 0.000 2.362 582 S HA -0.057 4.413 4.470 -0.000 0.000 0.221 582 S C 0.349 174.933 174.600 -0.026 0.000 1.032 582 S CA 0.839 58.999 58.200 -0.067 0.000 0.973 582 S CB 0.027 63.284 63.200 0.095 0.000 0.849 582 S HN 0.826 nan 8.310 nan 0.000 0.465 583 H N -2.680 116.232 119.070 -0.264 0.000 2.935 583 H HA 0.305 4.861 4.556 -0.000 0.000 0.297 583 H C -1.783 173.325 175.328 -0.367 0.000 1.423 583 H CA -0.984 54.909 56.048 -0.257 0.000 1.161 583 H CB -0.326 29.433 29.762 -0.004 0.000 1.841 583 H HN 0.201 nan 8.280 nan 0.000 0.506 584 F N 1.526 121.540 119.950 0.107 0.000 2.404 584 F HA 0.365 4.892 4.527 -0.000 0.000 0.339 584 F C -0.021 175.931 175.800 0.254 0.000 1.105 584 F CA -0.859 57.137 58.000 -0.006 0.000 1.087 584 F CB 1.046 40.054 39.000 0.013 0.000 1.143 584 F HN 0.433 nan 8.300 nan 0.000 0.491 585 Y N -0.031 120.488 120.300 0.364 0.000 2.446 585 Y HA 0.839 5.389 4.550 -0.000 0.000 0.338 585 Y C -1.272 174.734 175.900 0.177 0.000 1.055 585 Y CA -1.675 56.613 58.100 0.313 0.000 1.101 585 Y CB 0.996 39.641 38.460 0.309 0.000 1.221 585 Y HN 0.282 nan 8.280 nan 0.000 0.460 586 V N 2.174 122.200 119.914 0.187 0.000 2.668 586 V HA 0.609 4.729 4.120 -0.000 0.000 0.304 586 V C 0.494 176.504 176.094 -0.139 0.000 1.071 586 V CA -0.524 61.819 62.300 0.072 0.000 0.894 586 V CB 1.109 33.034 31.823 0.169 0.000 1.008 586 V HN 1.326 nan 8.190 nan 0.000 0.425 587 G N 2.892 111.629 108.800 -0.104 0.000 2.153 587 G HA2 0.237 4.197 3.960 -0.000 0.000 0.252 587 G HA3 0.237 4.197 3.960 -0.000 0.000 0.252 587 G C 0.731 175.407 174.900 -0.373 0.000 0.994 587 G CA 0.395 45.322 45.100 -0.289 0.000 0.698 587 G HN 2.363 nan 8.290 nan 0.000 0.521 588 G N -2.593 106.079 108.800 -0.213 0.000 2.359 588 G HA2 0.318 4.278 3.960 -0.000 0.000 0.303 588 G HA3 0.318 4.278 3.960 -0.000 0.000 0.303 588 G C -0.026 174.744 174.900 -0.216 0.000 1.293 588 G CA 0.092 45.041 45.100 -0.251 0.000 0.964 588 G HN 0.534 nan 8.290 nan 0.000 0.531 589 Y N 0.409 120.677 120.300 -0.053 0.000 2.500 589 Y HA 0.297 4.846 4.550 -0.000 0.000 0.270 589 Y C 1.995 177.887 175.900 -0.013 0.000 1.134 589 Y CA 0.642 58.702 58.100 -0.067 0.000 1.293 589 Y CB 0.370 38.750 38.460 -0.133 0.000 1.063 589 Y HN 0.562 nan 8.280 nan 0.000 0.534 590 K N 1.377 121.831 120.400 0.091 0.000 3.077 590 K HA -0.219 4.101 4.320 -0.000 0.000 0.264 590 K C -1.298 175.335 176.600 0.055 0.000 1.008 590 K CA 0.319 56.638 56.287 0.054 0.000 0.740 590 K CB -0.549 31.977 32.500 0.044 0.000 1.273 590 K HN 0.134 nan 8.250 nan 0.000 0.477 591 R N 0.066 120.615 120.500 0.083 0.000 2.500 591 R HA 0.117 4.457 4.340 -0.000 0.000 0.299 591 R C 0.974 177.295 176.300 0.035 0.000 1.038 591 R CA 0.115 56.236 56.100 0.035 0.000 0.903 591 R CB 1.547 31.845 30.300 -0.003 0.000 1.177 591 R HN 0.248 nan 8.270 nan 0.000 0.455 592 S N 0.339 116.050 115.700 0.017 0.000 2.515 592 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 592 S C 1.582 176.185 174.600 0.005 0.000 0.987 592 S CA 0.865 59.076 58.200 0.018 0.000 0.936 592 S CB 0.169 63.377 63.200 0.013 0.000 0.766 592 S HN 0.685 nan 8.310 nan 0.000 0.528 593 G N 0.981 109.774 108.800 -0.013 0.000 2.650 593 G HA2 0.191 4.150 3.960 -0.000 0.000 0.214 593 G HA3 0.191 4.150 3.960 -0.000 0.000 0.214 593 G C 0.484 175.359 174.900 -0.041 0.000 1.136 593 G CA 0.022 45.104 45.100 -0.030 0.000 0.789 593 G HN 0.366 nan 8.290 nan 0.000 0.536 594 M N 0.853 120.435 119.600 -0.030 0.000 2.264 594 M HA 0.254 4.734 4.480 -0.000 0.000 0.352 594 M C -1.726 174.596 176.300 0.037 0.000 1.173 594 M CA -2.561 52.723 55.300 -0.026 0.000 1.075 594 M CB 1.779 34.364 32.600 -0.025 0.000 1.621 594 M HN -0.145 nan 8.290 nan 0.000 0.457 595 P HA 0.020 nan 4.420 nan 0.000 0.249 595 P C 0.171 177.497 177.300 0.043 0.000 1.229 595 P CA 0.388 63.506 63.100 0.029 0.000 0.788 595 P CB -0.336 31.371 31.700 0.012 0.000 1.072 596 T N -1.785 112.816 114.554 0.079 0.000 2.868 596 T HA 0.299 4.649 4.350 -0.000 0.000 0.292 596 T C -0.227 174.490 174.700 0.027 0.000 1.028 596 T CA -0.494 61.631 62.100 0.042 0.000 1.059 596 T CB 1.065 69.956 68.868 0.037 0.000 0.991 596 T HN -0.160 nan 8.240 nan 0.000 0.531 597 D N 0.947 121.352 120.400 0.008 0.000 2.389 597 D HA 0.258 4.898 4.640 -0.000 0.000 0.256 597 D C -0.900 175.430 176.300 0.050 0.000 1.239 597 D CA -0.509 53.511 54.000 0.034 0.000 0.925 597 D CB 0.837 41.663 40.800 0.043 0.000 1.145 597 D HN 0.468 nan 8.370 nan 0.000 0.542 598 S N 3.553 119.289 115.700 0.059 0.000 2.430 598 S HA 0.378 4.848 4.470 -0.000 0.000 0.289 598 S C 0.355 175.063 174.600 0.181 0.000 1.143 598 S CA -0.671 57.617 58.200 0.147 0.000 1.067 598 S CB 0.897 64.154 63.200 0.096 0.000 0.964 598 S HN 0.254 nan 8.310 nan 0.000 0.485 599 R N 2.775 123.399 120.500 0.206 0.000 2.346 599 R HA 0.458 4.798 4.340 -0.000 0.000 0.309 599 R C -0.565 175.849 176.300 0.190 0.000 1.119 599 R CA -0.360 55.865 56.100 0.209 0.000 1.112 599 R CB 0.398 30.813 30.300 0.191 0.000 1.132 599 R HN 0.511 nan 8.270 nan 0.000 0.538 600 V N -1.680 118.370 119.914 0.226 0.000 3.178 600 V HA 0.574 4.694 4.120 -0.000 0.000 0.302 600 V C -0.447 175.765 176.094 0.198 0.000 1.262 600 V CA -0.813 61.508 62.300 0.035 0.000 1.030 600 V CB 2.393 34.194 31.823 -0.036 0.000 1.074 600 V HN 0.342 nan 8.190 nan 0.000 0.438 601 T N 2.202 116.798 114.554 0.071 0.000 2.797 601 T HA 0.755 5.105 4.350 -0.000 0.000 0.279 601 T C -0.655 174.131 174.700 0.143 0.000 0.991 601 T CA -0.374 61.818 62.100 0.153 0.000 0.979 601 T CB 1.518 70.529 68.868 0.238 0.000 0.943 601 T HN 0.831 nan 8.240 nan 0.000 0.444 602 V N 4.976 125.013 119.914 0.204 0.000 2.588 602 V HA 0.558 4.678 4.120 -0.000 0.000 0.304 602 V C -0.478 175.821 176.094 0.341 0.000 1.042 602 V CA -1.051 61.432 62.300 0.304 0.000 0.877 602 V CB 1.972 34.091 31.823 0.495 0.000 0.996 602 V HN 0.810 nan 8.190 nan 0.000 0.425 603 N N 2.846 121.722 118.700 0.294 0.000 2.265 603 N HA 0.414 5.153 4.740 -0.000 0.000 0.300 603 N C -0.486 175.189 175.510 0.276 0.000 1.148 603 N CA -0.761 52.471 53.050 0.303 0.000 0.772 603 N CB 1.758 40.372 38.487 0.212 0.000 1.434 603 N HN 0.809 nan 8.380 nan 0.000 0.481 604 N N -0.727 118.134 118.700 0.267 0.000 2.671 604 N HA -0.158 4.582 4.740 -0.000 0.000 0.261 604 N C -1.097 174.559 175.510 0.242 0.000 1.053 604 N CA -0.019 53.224 53.050 0.321 0.000 0.732 604 N CB -0.770 37.941 38.487 0.374 0.000 0.887 604 N HN 0.211 nan 8.380 nan 0.000 0.546 605 V N 1.876 121.810 119.914 0.033 0.000 2.408 605 V HA 0.299 4.419 4.120 -0.000 0.000 0.267 605 V C 0.672 176.833 176.094 0.111 0.000 1.047 605 V CA -0.131 62.135 62.300 -0.057 0.000 0.937 605 V CB 0.932 32.507 31.823 -0.415 0.000 0.999 605 V HN 0.237 nan 8.190 nan 0.000 0.472 606 L N 5.834 127.124 121.223 0.111 0.000 2.334 606 L HA 0.646 4.986 4.340 -0.000 0.000 0.276 606 L C -0.633 176.245 176.870 0.013 0.000 1.014 606 L CA -0.658 54.208 54.840 0.042 0.000 0.815 606 L CB 1.847 43.881 42.059 -0.042 0.000 1.268 606 L HN 0.481 nan 8.230 nan 0.000 0.428 607 L N 3.238 124.377 121.223 -0.141 0.000 2.376 607 L HA 0.540 4.880 4.340 -0.000 0.000 0.275 607 L C -1.429 175.203 176.870 -0.396 0.000 0.987 607 L CA -0.013 54.656 54.840 -0.285 0.000 0.828 607 L CB 1.106 42.771 42.059 -0.658 0.000 1.249 607 L HN 0.281 nan 8.230 nan 0.000 0.409 608 Y N 2.571 122.766 120.300 -0.175 0.000 2.487 608 Y HA 0.381 4.931 4.550 0.000 0.000 0.337 608 Y C 0.876 176.625 175.900 -0.252 0.000 1.076 608 Y CA -0.600 57.363 58.100 -0.229 0.000 1.115 608 Y CB 1.408 39.767 38.460 -0.168 0.000 1.235 608 Y HN 0.714 nan 8.280 nan 0.000 0.468 609 N N 1.518 119.985 118.700 -0.387 0.000 2.346 609 N HA 0.104 4.844 4.740 -0.000 0.000 0.225 609 N C -0.645 174.737 175.510 -0.213 0.000 1.144 609 N CA -0.334 52.274 53.050 -0.736 0.000 0.837 609 N CB -0.068 37.557 38.487 -1.437 0.000 1.069 609 N HN 0.752 nan 8.380 nan 0.000 0.487 610 R N -2.403 118.064 120.500 -0.055 0.000 2.733 610 R HA 0.292 4.632 4.340 -0.000 0.000 0.272 610 R C -1.351 174.912 176.300 -0.061 0.000 1.029 610 R CA -0.979 55.094 56.100 -0.044 0.000 0.888 610 R CB 0.701 30.956 30.300 -0.075 0.000 1.251 610 R HN 0.054 nan 8.270 nan 0.000 0.464 611 Q N 2.127 121.875 119.800 -0.087 0.000 2.314 611 Q HA 0.263 4.603 4.340 -0.000 0.000 0.257 611 Q C -0.639 175.268 176.000 -0.155 0.000 0.975 611 Q CA -0.505 55.224 55.803 -0.124 0.000 0.933 611 Q CB 0.815 29.493 28.738 -0.101 0.000 1.195 611 Q HN 0.499 nan 8.270 nan 0.000 0.426 612 L N 3.708 124.794 121.223 -0.229 0.000 2.483 612 L HA 0.016 4.356 4.340 -0.000 0.000 0.276 612 L C 0.702 177.446 176.870 -0.211 0.000 1.213 612 L CA -0.245 54.421 54.840 -0.289 0.000 0.843 612 L CB 0.021 41.830 42.059 -0.415 0.000 1.107 612 L HN 0.804 nan 8.230 nan 0.000 0.487 613 N N 1.558 120.148 118.700 -0.182 0.000 2.379 613 N HA 0.242 4.982 4.740 -0.000 0.000 0.260 613 N C 0.583 176.003 175.510 -0.151 0.000 1.254 613 N CA -0.014 52.956 53.050 -0.133 0.000 0.958 613 N CB 0.624 39.053 38.487 -0.097 0.000 1.208 613 N HN 0.584 nan 8.380 nan 0.000 0.532 614 A N -0.425 122.331 122.820 -0.106 0.000 1.908 614 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 614 A C 1.997 179.521 177.584 -0.099 0.000 1.181 614 A CA 1.941 53.917 52.037 -0.103 0.000 0.627 614 A CB -1.221 17.753 19.000 -0.043 0.000 0.818 614 A HN 0.918 nan 8.150 nan 0.000 0.445 615 E N -0.175 119.977 120.200 -0.079 0.000 2.077 615 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 615 E C 1.880 178.429 176.600 -0.085 0.000 0.989 615 E CA 1.396 57.757 56.400 -0.065 0.000 0.800 615 E CB -0.162 29.506 29.700 -0.053 0.000 0.746 615 E HN 0.751 nan 8.360 nan 0.000 0.452 616 E N 0.314 120.442 120.200 -0.121 0.000 2.077 616 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 616 E C 2.192 178.702 176.600 -0.150 0.000 0.989 616 E CA 1.244 57.555 56.400 -0.149 0.000 0.800 616 E CB -0.076 29.493 29.700 -0.217 0.000 0.746 616 E HN 0.387 nan 8.360 nan 0.000 0.452 617 I N 0.644 121.104 120.570 -0.184 0.000 2.179 617 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 617 I C 2.638 178.718 176.117 -0.062 0.000 1.088 617 I CA 0.985 62.178 61.300 -0.179 0.000 1.357 617 I CB -0.127 37.642 38.000 -0.385 0.000 1.051 617 I HN -0.003 nan 8.210 nan 0.000 0.409 618 R N 0.819 121.288 120.500 -0.053 0.000 2.091 618 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 618 R C 2.190 178.513 176.300 0.039 0.000 1.136 618 R CA 2.278 58.403 56.100 0.042 0.000 0.959 618 R CB -0.755 29.561 30.300 0.027 0.000 0.856 618 R HN 0.218 nan 8.270 nan 0.000 0.437 619 T N 1.038 115.578 114.554 -0.022 0.000 2.746 619 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 619 T C 1.695 176.357 174.700 -0.064 0.000 1.039 619 T CA 1.509 63.581 62.100 -0.046 0.000 1.142 619 T CB -0.167 68.671 68.868 -0.051 0.000 0.866 619 T HN 0.155 nan 8.240 nan 0.000 0.444 620 L N 0.049 121.248 121.223 -0.040 0.000 2.083 620 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 620 L C 2.304 179.041 176.870 -0.221 0.000 1.083 620 L CA 1.306 56.135 54.840 -0.020 0.000 0.752 620 L CB -0.577 41.557 42.059 0.125 0.000 0.899 620 L HN 0.233 nan 8.230 nan 0.000 0.433 621 F N 0.968 120.605 119.950 -0.521 0.000 2.075 621 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 621 F C 2.149 177.716 175.800 -0.388 0.000 1.113 621 F CA 1.514 59.000 58.000 -0.857 0.000 1.218 621 F CB -0.442 38.280 39.000 -0.463 0.000 0.984 621 F HN -0.137 nan 8.300 nan 0.000 0.472 622 L N 0.236 121.135 121.223 -0.540 0.000 2.191 622 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 622 L C 2.110 178.774 176.870 -0.343 0.000 1.103 622 L CA 1.440 55.960 54.840 -0.534 0.000 0.769 622 L CB -0.847 41.059 42.059 -0.254 0.000 0.908 622 L HN 0.410 nan 8.230 nan 0.000 0.438 623 S N -2.401 113.157 115.700 -0.237 0.000 2.568 623 S HA 0.060 4.530 4.470 -0.000 0.000 0.232 623 S C 1.406 175.956 174.600 -0.083 0.000 0.975 623 S CA -0.515 57.606 58.200 -0.132 0.000 0.949 623 S CB 0.318 63.468 63.200 -0.082 0.000 0.829 623 S HN 0.350 nan 8.310 nan 0.000 0.479 624 Q N 1.235 120.962 119.800 -0.122 0.000 2.173 624 Q HA -0.217 4.122 4.340 -0.000 0.000 0.208 624 Q C 0.720 176.746 176.000 0.042 0.000 0.989 624 Q CA 2.067 57.870 55.803 0.001 0.000 0.872 624 Q CB -0.354 28.381 28.738 -0.005 0.000 0.909 624 Q HN 0.604 nan 8.270 nan 0.000 0.420 625 D N -0.714 119.683 120.400 -0.005 0.000 2.340 625 D HA 0.049 4.689 4.640 -0.000 0.000 0.220 625 D C 1.021 177.350 176.300 0.048 0.000 1.039 625 D CA 0.415 54.429 54.000 0.023 0.000 0.866 625 D CB 0.355 41.149 40.800 -0.010 0.000 0.913 625 D HN 0.165 nan 8.370 nan 0.000 0.523 626 L N -0.042 121.211 121.223 0.049 0.000 2.672 626 L HA 0.238 4.578 4.340 -0.000 0.000 0.236 626 L C 1.762 178.712 176.870 0.133 0.000 1.092 626 L CA 0.162 55.042 54.840 0.067 0.000 0.887 626 L CB 0.109 42.176 42.059 0.014 0.000 1.168 626 L HN 0.089 nan 8.230 nan 0.000 0.502 627 I N -2.270 118.398 120.570 0.164 0.000 3.728 627 I HA 0.280 4.450 4.170 -0.000 0.000 0.307 627 I C 1.256 177.701 176.117 0.546 0.000 1.276 627 I CA -0.190 61.273 61.300 0.271 0.000 1.285 627 I CB -0.562 37.532 38.000 0.158 0.000 1.038 627 I HN 0.011 nan 8.210 nan 0.000 0.445 628 G N 1.587 110.619 108.800 0.388 0.000 2.559 628 G HA2 0.183 4.143 3.960 -0.000 0.000 0.235 628 G HA3 0.183 4.143 3.960 -0.000 0.000 0.235 628 G C 0.916 175.973 174.900 0.260 0.000 1.266 628 G CA 0.423 45.709 45.100 0.309 0.000 0.847 628 G HN 0.445 nan 8.290 nan 0.000 0.583 629 T N -2.097 112.484 114.554 0.045 0.000 3.107 629 T HA 0.056 4.405 4.350 -0.000 0.000 0.249 629 T C 1.656 176.350 174.700 -0.011 0.000 1.096 629 T CA 0.891 62.996 62.100 0.008 0.000 1.012 629 T CB -0.044 68.602 68.868 -0.371 0.000 0.977 629 T HN 0.770 nan 8.240 nan 0.000 0.527 630 E N 1.914 122.016 120.200 -0.164 0.000 2.171 630 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 630 E C 2.141 178.474 176.600 -0.444 0.000 0.997 630 E CA 1.241 57.290 56.400 -0.584 0.000 0.810 630 E CB -0.592 28.750 29.700 -0.596 0.000 0.738 630 E HN 0.606 nan 8.360 nan 0.000 0.467 631 A N 0.516 123.098 122.820 -0.397 0.000 2.167 631 A HA 0.042 4.361 4.320 -0.000 0.000 0.214 631 A C 0.205 177.498 177.584 -0.485 0.000 1.151 631 A CA 0.554 52.309 52.037 -0.470 0.000 0.735 631 A CB -0.435 18.237 19.000 -0.547 0.000 0.802 631 A HN 0.364 nan 8.150 nan 0.000 0.467 632 H N 0.000 119.074 119.070 0.007 0.000 2.539 632 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 632 H CA 0.000 56.074 56.048 0.044 0.000 1.023 632 H CB 0.000 29.804 29.762 0.070 0.000 1.292 632 H HN 0.000 nan 8.280 nan 0.000 0.496