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 2ah2_1_A DATA FIRST_RESID 1 DATA SEQUENCE LAPGSSRVEL FKRQSSKVPF EKDGKVTERV VHSFRLPALV NVDGVMVAIA DATA SEQUENCE DARYETSFDN SLIDTVAKYS VDDGETWETQ IAIKNSRASS VSRVVDPTVI DATA SEQUENCE VKGNKLYVLV GSYNSSRSYW TSHGDARDWD ILLAVGEVTK STAGGKITAS DATA SEQUENCE IKWGSPVSLK EFFPAEMEGM HTNQFLGGAG VAIVASNGNL VYPVQVTNKK DATA SEQUENCE KQVFSKIFYS EDEGKTWKFG KGRSAFGCSE PVALEWEGKL IINTRVDYRR DATA SEQUENCE RLVYESSDMG NTWLEAVGTL SRVWGPSPKS NQPGSQSSFT AVTIEGMRVM DATA SEQUENCE LFTHPLNFKG RWLRDRLNLW LTDNQRIYNV GQVSIGDENS AYSSVLYKDD DATA SEQUENCE KLYCLHEINS NEVYSLVFAR LVGELRIIKS VLQSWKNWDS HLSSIcTPAX DATA SEQUENCE XXXXXXXXGc GPAVTTVGLV GFLSHSATKT EWEDAYRCVN ASTANAERVP DATA SEQUENCE NGLKFAGVGG GALWPVSQQG QNQRYHFANH AFTLVASVTI HEVPKGASPL DATA SEQUENCE LGASLDSSGG KKLLGLSYDK RHQWQPIYGS TPVTPTGSWE MGKRYHVVLT DATA SEQUENCE MANKIGSVYI DGEPLEGSGQ TVVPDERTPD ISHFYVGGYK RSGMPTDSRV DATA SEQUENCE TVNNVLLYNR QLNAEEIRTL FLSQDLIGTE AHM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.863 176.870 -0.012 0.000 1.165 1 L CA 0.000 54.836 54.840 -0.006 0.000 0.813 1 L CB 0.000 42.069 42.059 0.017 0.000 0.961 2 A N 5.376 128.186 122.820 -0.017 0.000 2.386 2 A HA 0.696 -3.189 4.320 -13.675 0.000 0.246 2 A C -2.350 175.228 177.584 -0.009 0.000 1.089 2 A CA -0.723 51.305 52.037 -0.015 0.000 0.790 2 A CB -0.669 18.321 19.000 -0.017 0.000 1.042 2 A HN 0.555 nan 8.150 nan 0.000 0.497 3 P HA 0.276 nan 4.420 nan 0.000 0.267 3 P C 0.880 178.177 177.300 -0.006 0.000 1.205 3 P CA 1.493 64.591 63.100 -0.003 0.000 0.765 3 P CB 0.726 32.425 31.700 -0.001 0.000 0.828 4 G N 1.874 110.672 108.800 -0.004 0.000 2.234 4 G HA2 -0.211 -4.456 3.960 -13.675 0.000 0.235 4 G HA3 -0.211 -4.456 3.960 -13.675 0.000 0.235 4 G C 0.349 175.243 174.900 -0.010 0.000 0.997 4 G CA 0.027 45.123 45.100 -0.007 0.000 0.623 4 G HN 0.594 nan 8.290 nan 0.000 0.514 5 S N 0.121 115.813 115.700 -0.012 0.000 2.672 5 S HA 0.829 -2.906 4.470 -13.675 0.000 0.276 5 S C 0.293 174.891 174.600 -0.004 0.000 1.207 5 S CA 0.407 58.597 58.200 -0.018 0.000 1.002 5 S CB 1.774 64.960 63.200 -0.024 0.000 0.998 5 S HN 1.733 nan 8.310 nan 0.000 0.542 6 S N 0.537 116.235 115.700 -0.004 0.000 2.615 6 S HA 0.809 -2.926 4.470 -13.675 0.000 0.269 6 S C -1.163 173.445 174.600 0.014 0.000 1.161 6 S CA -1.254 56.954 58.200 0.013 0.000 0.817 6 S CB 1.803 65.019 63.200 0.027 0.000 1.131 6 S HN 0.983 nan 8.310 nan 0.000 0.467 7 R N -0.716 119.803 120.500 0.031 0.000 2.764 7 R HA 0.859 -3.006 4.340 -13.675 0.000 0.270 7 R C -1.409 174.933 176.300 0.070 0.000 1.014 7 R CA -0.978 55.147 56.100 0.041 0.000 0.904 7 R CB 1.273 31.580 30.300 0.011 0.000 1.236 7 R HN 1.183 nan 8.270 nan 0.000 0.466 8 V N -2.344 117.633 119.914 0.106 0.000 3.001 8 V HA 0.519 -3.566 4.120 -13.675 0.000 0.314 8 V C -0.436 175.683 176.094 0.042 0.000 1.099 8 V CA -0.967 61.383 62.300 0.083 0.000 0.989 8 V CB 1.942 33.837 31.823 0.120 0.000 1.040 8 V HN 0.961 nan 8.190 nan 0.000 0.434 9 E N 1.286 121.486 120.200 -0.001 0.000 1.861 9 E HA 0.216 -3.639 4.350 -13.675 0.000 0.263 9 E C 0.355 176.903 176.600 -0.087 0.000 1.137 9 E CA -0.406 55.974 56.400 -0.032 0.000 0.944 9 E CB 1.187 30.870 29.700 -0.029 0.000 1.092 9 E HN 0.757 nan 8.360 nan 0.000 0.420 10 L N 4.977 126.132 121.223 -0.112 0.000 2.023 10 L HA 0.079 -3.787 4.340 -13.675 0.000 0.205 10 L C 0.023 176.587 176.870 -0.510 0.000 1.073 10 L CA 1.666 56.306 54.840 -0.333 0.000 0.745 10 L CB 0.095 41.900 42.059 -0.423 0.000 0.900 10 L HN 0.354 nan 8.230 nan 0.000 0.435 11 F N 1.316 120.958 119.950 -0.514 0.000 2.308 11 F HA 0.349 -3.328 4.527 -13.673 0.000 0.370 11 F C 0.179 175.681 175.800 -0.496 0.000 1.100 11 F CA -0.783 56.700 58.000 -0.861 0.000 1.108 11 F CB 0.504 38.804 39.000 -1.168 0.000 1.293 11 F HN -0.167 nan 8.300 nan 0.000 0.478 12 K N 4.684 124.976 120.400 -0.179 0.000 2.268 12 K HA 0.293 -3.593 4.320 -13.675 0.000 0.276 12 K C 0.001 176.736 176.600 0.225 0.000 1.080 12 K CA -0.820 55.484 56.287 0.029 0.000 0.910 12 K CB 0.877 33.362 32.500 -0.026 0.000 1.163 12 K HN 0.602 nan 8.250 nan 0.000 0.465 13 R N 2.684 123.321 120.500 0.228 0.000 2.638 13 R HA -0.109 -3.974 4.340 -13.675 0.000 0.268 13 R C -0.415 175.905 176.300 0.034 0.000 1.006 13 R CA 0.221 56.409 56.100 0.147 0.000 1.088 13 R CB 0.013 30.319 30.300 0.010 0.000 0.950 13 R HN 0.728 nan 8.270 nan 0.000 0.419 14 Q N -0.268 119.515 119.800 -0.028 0.000 2.461 14 Q HA -0.291 -4.156 4.340 -13.675 0.000 0.264 14 Q C 0.160 176.165 176.000 0.009 0.000 1.085 14 Q CA 1.292 57.066 55.803 -0.048 0.000 1.006 14 Q CB -1.091 27.575 28.738 -0.120 0.000 1.437 14 Q HN 0.898 nan 8.270 nan 0.000 0.514 15 S N -2.206 113.532 115.700 0.065 0.000 3.916 15 S HA 0.127 -3.608 4.470 -13.675 0.000 0.231 15 S C 0.068 174.714 174.600 0.077 0.000 1.161 15 S CA 0.306 58.537 58.200 0.052 0.000 0.938 15 S CB 0.515 63.731 63.200 0.027 0.000 1.170 15 S HN 0.254 nan 8.310 nan 0.000 0.508 16 S N 2.721 118.497 115.700 0.127 0.000 2.549 16 S HA 0.345 -3.390 4.470 -13.675 0.000 0.286 16 S C -0.429 174.284 174.600 0.188 0.000 1.314 16 S CA 0.203 58.462 58.200 0.098 0.000 1.062 16 S CB 0.587 63.770 63.200 -0.028 0.000 0.865 16 S HN 0.378 nan 8.310 nan 0.000 0.498 17 K N 1.359 121.826 120.400 0.112 0.000 2.156 17 K HA 0.688 -3.197 4.320 -13.675 0.000 0.250 17 K C -0.492 176.198 176.600 0.149 0.000 0.955 17 K CA -0.834 55.533 56.287 0.134 0.000 0.855 17 K CB 1.555 34.107 32.500 0.085 0.000 1.101 17 K HN 0.472 nan 8.250 nan 0.000 0.434 18 V N -1.487 118.547 119.914 0.201 0.000 3.040 18 V HA 0.555 -3.530 4.120 -13.675 0.000 0.312 18 V C -2.726 173.505 176.094 0.228 0.000 1.115 18 V CA -2.701 59.724 62.300 0.208 0.000 0.998 18 V CB 1.850 33.828 31.823 0.258 0.000 1.042 18 V HN 0.623 nan 8.190 nan 0.000 0.433 19 P HA 0.196 nan 4.420 nan 0.000 0.268 19 P C -0.786 176.636 177.300 0.203 0.000 1.541 19 P CA 0.179 63.377 63.100 0.163 0.000 1.093 19 P CB -0.220 31.544 31.700 0.107 0.000 1.551 20 F N 3.296 123.292 119.950 0.078 0.000 2.471 20 F HA 0.205 -3.474 4.527 -13.676 0.000 0.365 20 F C 0.531 176.319 175.800 -0.020 0.000 1.095 20 F CA -0.374 57.637 58.000 0.018 0.000 1.174 20 F CB 0.613 39.548 39.000 -0.108 0.000 1.105 20 F HN 0.211 nan 8.300 nan 0.000 0.535 21 E N 7.263 127.105 120.200 -0.596 0.000 2.156 21 E HA 0.300 -3.555 4.350 -13.675 0.000 0.279 21 E C -1.317 174.841 176.600 -0.737 0.000 0.965 21 E CA -0.740 55.371 56.400 -0.482 0.000 0.789 21 E CB 1.096 30.642 29.700 -0.258 0.000 1.098 21 E HN 0.730 nan 8.360 nan 0.000 0.397 22 K N 3.916 124.029 120.400 -0.479 0.000 2.550 22 K HA 0.133 -3.752 4.320 -13.675 0.000 0.252 22 K C -1.265 175.242 176.600 -0.155 0.000 0.943 22 K CA -0.479 55.602 56.287 -0.343 0.000 0.806 22 K CB 1.034 33.350 32.500 -0.307 0.000 1.289 22 K HN 0.481 nan 8.250 nan 0.000 0.435 23 D N 2.868 123.201 120.400 -0.111 0.000 2.751 23 D HA -0.192 -3.757 4.640 -13.675 0.000 0.233 23 D C 0.635 176.902 176.300 -0.056 0.000 1.149 23 D CA 1.965 55.927 54.000 -0.064 0.000 0.682 23 D CB -1.180 39.596 40.800 -0.040 0.000 1.068 23 D HN 1.093 nan 8.370 nan 0.000 0.429 24 G N -0.179 108.579 108.800 -0.070 0.000 2.189 24 G HA2 -0.385 -4.630 3.960 -13.675 0.000 0.267 24 G HA3 -0.385 -4.630 3.960 -13.675 0.000 0.267 24 G C 0.293 175.166 174.900 -0.045 0.000 0.975 24 G CA 0.957 46.026 45.100 -0.052 0.000 0.644 24 G HN 0.685 nan 8.290 nan 0.000 0.537 25 K N 0.166 120.534 120.400 -0.054 0.000 2.182 25 K HA 0.664 -3.221 4.320 -13.675 0.000 0.262 25 K C -0.317 176.255 176.600 -0.047 0.000 0.957 25 K CA -0.781 55.487 56.287 -0.031 0.000 0.842 25 K CB 1.805 34.297 32.500 -0.012 0.000 1.099 25 K HN 0.046 nan 8.250 nan 0.000 0.438 26 V N 3.161 123.065 119.914 -0.017 0.000 2.459 26 V HA 0.415 -3.670 4.120 -13.675 0.000 0.295 26 V C -0.604 175.519 176.094 0.048 0.000 1.029 26 V CA -0.613 61.687 62.300 0.001 0.000 0.874 26 V CB 1.750 33.578 31.823 0.008 0.000 0.985 26 V HN 0.913 nan 8.190 nan 0.000 0.438 27 T N 3.281 117.896 114.554 0.101 0.000 2.881 27 T HA 0.329 -3.526 4.350 -13.675 0.000 0.290 27 T C -0.588 174.196 174.700 0.141 0.000 1.000 27 T CA -0.637 61.532 62.100 0.115 0.000 0.978 27 T CB 1.647 70.599 68.868 0.140 0.000 0.997 27 T HN 0.595 nan 8.240 nan 0.000 0.443 28 E N 2.761 123.021 120.200 0.100 0.000 2.292 28 E HA 0.106 -3.750 4.350 -13.675 0.000 0.265 28 E C 0.034 176.693 176.600 0.098 0.000 1.093 28 E CA 0.136 56.597 56.400 0.102 0.000 0.922 28 E CB 0.725 30.466 29.700 0.069 0.000 1.001 28 E HN 0.380 nan 8.360 nan 0.000 0.444 29 R N 2.449 123.030 120.500 0.135 0.000 2.534 29 R HA 0.314 -3.551 4.340 -13.675 0.000 0.301 29 R C -0.743 175.635 176.300 0.129 0.000 0.961 29 R CA -0.684 55.470 56.100 0.091 0.000 0.871 29 R CB 1.167 31.481 30.300 0.022 0.000 1.170 29 R HN 0.186 nan 8.270 nan 0.000 0.446 30 V N 4.597 124.558 119.914 0.078 0.000 2.655 30 V HA 0.102 -3.983 4.120 -13.675 0.000 0.300 30 V C 0.075 176.216 176.094 0.078 0.000 1.044 30 V CA -0.152 62.197 62.300 0.081 0.000 1.095 30 V CB 1.349 33.197 31.823 0.043 0.000 0.952 30 V HN 0.479 nan 8.190 nan 0.000 0.485 31 V N 4.317 124.248 119.914 0.029 0.000 2.435 31 V HA 0.245 -3.840 4.120 -13.675 0.000 0.290 31 V C 1.054 177.036 176.094 -0.185 0.000 1.030 31 V CA -0.395 61.791 62.300 -0.189 0.000 0.881 31 V CB 1.253 32.703 31.823 -0.621 0.000 0.983 31 V HN 0.984 nan 8.190 nan 0.000 0.445 32 H N 2.738 121.658 119.070 -0.250 0.000 2.276 32 H HA 0.040 -3.610 4.556 -13.676 0.000 0.301 32 H C 0.418 175.625 175.328 -0.201 0.000 1.073 32 H CA 1.586 57.526 56.048 -0.179 0.000 1.311 32 H CB 0.656 30.322 29.762 -0.159 0.000 1.379 32 H HN 0.589 nan 8.280 nan 0.000 0.494 33 S N -0.734 114.882 115.700 -0.141 0.000 2.541 33 S HA 0.440 -3.295 4.470 -13.675 0.000 0.280 33 S C -1.479 172.847 174.600 -0.458 0.000 1.112 33 S CA -0.631 57.495 58.200 -0.124 0.000 0.925 33 S CB 1.828 65.106 63.200 0.131 0.000 1.067 33 S HN 0.199 nan 8.310 nan 0.000 0.479 34 F N 1.984 121.916 119.950 -0.031 0.000 2.467 34 F HA 0.628 -3.051 4.527 -13.677 0.000 0.336 34 F C 0.794 176.496 175.800 -0.164 0.000 1.123 34 F CA -0.633 57.292 58.000 -0.124 0.000 0.964 34 F CB 1.431 40.368 39.000 -0.106 0.000 1.136 34 F HN 0.240 nan 8.300 nan 0.000 0.447 35 R N 1.613 122.059 120.500 -0.090 0.000 2.885 35 R HA 0.581 -3.284 4.340 -13.675 0.000 0.260 35 R C -1.085 175.134 176.300 -0.135 0.000 1.107 35 R CA -1.137 54.852 56.100 -0.185 0.000 0.978 35 R CB 1.570 31.633 30.300 -0.395 0.000 1.227 35 R HN 0.557 nan 8.270 nan 0.000 0.473 36 L N 0.822 122.002 121.223 -0.072 0.000 3.472 36 L HA -0.098 -3.963 4.340 -13.675 0.000 0.485 36 L C -2.299 174.586 176.870 0.025 0.000 1.312 36 L CA 0.228 55.108 54.840 0.068 0.000 0.869 36 L CB -1.796 40.275 42.059 0.019 0.000 1.687 36 L HN 0.529 nan 8.230 nan 0.000 0.853 37 P HA 0.325 nan 4.420 nan 0.000 0.268 37 P C -0.288 177.042 177.300 0.050 0.000 1.205 37 P CA 0.157 63.244 63.100 -0.022 0.000 0.771 37 P CB 1.428 33.141 31.700 0.022 0.000 0.858 38 A N 3.729 126.580 122.820 0.052 0.000 2.414 38 A HA 0.557 -3.328 4.320 -13.675 0.000 0.286 38 A C -1.521 176.151 177.584 0.146 0.000 1.073 38 A CA -0.593 51.511 52.037 0.111 0.000 0.727 38 A CB 0.884 19.957 19.000 0.122 0.000 1.215 38 A HN 0.482 nan 8.150 nan 0.000 0.430 39 L N 4.174 125.504 121.223 0.178 0.000 2.343 39 L HA 0.814 -3.052 4.340 -13.675 0.000 0.278 39 L C -0.481 176.517 176.870 0.213 0.000 0.996 39 L CA -0.369 54.605 54.840 0.224 0.000 0.831 39 L CB 1.748 43.968 42.059 0.269 0.000 1.232 39 L HN 0.984 nan 8.230 nan 0.000 0.413 40 V N 1.814 121.852 119.914 0.207 0.000 3.160 40 V HA 0.732 -3.353 4.120 -13.675 0.000 0.310 40 V C -1.055 175.123 176.094 0.141 0.000 1.181 40 V CA -0.832 61.571 62.300 0.172 0.000 1.047 40 V CB 2.089 34.011 31.823 0.165 0.000 1.068 40 V HN 0.814 nan 8.190 nan 0.000 0.441 41 N N 0.878 119.644 118.700 0.110 0.000 2.417 41 N HA 0.566 -2.899 4.740 -13.675 0.000 0.274 41 N C -1.160 174.382 175.510 0.054 0.000 0.987 41 N CA -0.448 52.643 53.050 0.068 0.000 0.912 41 N CB 1.719 40.240 38.487 0.057 0.000 1.177 41 N HN 0.702 nan 8.380 nan 0.000 0.490 42 V N 3.673 123.605 119.914 0.030 0.000 2.257 42 V HA 0.233 -3.852 4.120 -13.675 0.000 0.269 42 V C 0.220 176.304 176.094 -0.018 0.000 1.040 42 V CA -0.593 61.710 62.300 0.005 0.000 0.813 42 V CB 0.264 32.075 31.823 -0.020 0.000 1.065 42 V HN 0.882 nan 8.190 nan 0.000 0.457 43 D N 3.987 124.381 120.400 -0.010 0.000 2.751 43 D HA -0.190 -3.755 4.640 -13.675 0.000 0.233 43 D C 1.252 177.536 176.300 -0.027 0.000 1.149 43 D CA 2.161 56.149 54.000 -0.019 0.000 0.682 43 D CB -1.090 39.692 40.800 -0.031 0.000 1.068 43 D HN 1.240 nan 8.370 nan 0.000 0.429 44 G N -2.708 106.078 108.800 -0.023 0.000 2.218 44 G HA2 -0.205 -4.450 3.960 -13.675 0.000 0.216 44 G HA3 -0.205 -4.450 3.960 -13.675 0.000 0.216 44 G C 0.227 175.100 174.900 -0.044 0.000 0.994 44 G CA -0.008 45.073 45.100 -0.032 0.000 0.637 44 G HN 0.850 nan 8.290 nan 0.000 0.505 45 V N 2.510 122.401 119.914 -0.040 0.000 2.370 45 V HA 0.626 -3.459 4.120 -13.675 0.000 0.279 45 V C 0.727 176.811 176.094 -0.016 0.000 1.029 45 V CA -0.319 61.958 62.300 -0.040 0.000 0.870 45 V CB 1.568 33.366 31.823 -0.041 0.000 0.984 45 V HN 0.456 nan 8.190 nan 0.000 0.451 46 M N 6.033 125.597 119.600 -0.060 0.000 2.200 46 M HA 0.469 -3.257 4.480 -13.675 0.000 0.355 46 M C -1.159 175.227 176.300 0.144 0.000 1.283 46 M CA 0.143 55.431 55.300 -0.019 0.000 1.124 46 M CB 0.829 33.310 32.600 -0.198 0.000 1.625 46 M HN 0.483 nan 8.290 nan 0.000 0.463 47 V N 4.660 124.722 119.914 0.247 0.000 2.588 47 V HA 0.736 -3.349 4.120 -13.675 0.000 0.304 47 V C -0.519 175.795 176.094 0.367 0.000 1.042 47 V CA -0.914 61.599 62.300 0.355 0.000 0.877 47 V CB 1.556 33.546 31.823 0.279 0.000 0.996 47 V HN 0.922 nan 8.190 nan 0.000 0.425 48 A N 5.490 128.555 122.820 0.409 0.000 2.273 48 A HA 0.869 -3.016 4.320 -13.675 0.000 0.315 48 A C -0.889 176.869 177.584 0.291 0.000 1.256 48 A CA -0.382 51.838 52.037 0.306 0.000 0.851 48 A CB 0.756 19.910 19.000 0.256 0.000 1.172 48 A HN 0.866 nan 8.150 nan 0.000 0.508 49 I N 1.974 122.643 120.570 0.166 0.000 2.562 49 I HA 0.840 -3.196 4.170 -13.675 0.000 0.301 49 I C 0.048 176.128 176.117 -0.062 0.000 1.003 49 I CA -0.132 61.226 61.300 0.096 0.000 1.127 49 I CB 1.886 39.962 38.000 0.127 0.000 1.304 49 I HN 0.880 nan 8.210 nan 0.000 0.446 50 A N 4.313 127.072 122.820 -0.101 0.000 2.586 50 A HA 0.494 -3.391 4.320 -13.675 0.000 0.290 50 A C -1.876 175.652 177.584 -0.093 0.000 1.086 50 A CA -0.725 51.207 52.037 -0.175 0.000 0.665 50 A CB 0.887 19.605 19.000 -0.470 0.000 1.279 50 A HN 0.558 nan 8.150 nan 0.000 0.423 51 D N 1.173 121.512 120.400 -0.103 0.000 2.350 51 D HA 0.500 -3.065 4.640 -13.675 0.000 0.249 51 D C 0.146 176.367 176.300 -0.132 0.000 1.119 51 D CA 0.874 54.803 54.000 -0.118 0.000 0.886 51 D CB 1.446 42.154 40.800 -0.154 0.000 1.195 51 D HN 0.803 nan 8.370 nan 0.000 0.437 52 A N 3.908 126.593 122.820 -0.225 0.000 2.412 52 A HA 0.315 -3.570 4.320 -13.675 0.000 0.334 52 A C 0.083 177.274 177.584 -0.655 0.000 1.419 52 A CA -0.728 50.997 52.037 -0.520 0.000 0.930 52 A CB 0.194 18.905 19.000 -0.482 0.000 1.149 52 A HN 0.389 nan 8.150 nan 0.000 0.515 53 R N 2.986 123.143 120.500 -0.572 0.000 2.296 53 R HA 0.213 -3.652 4.340 -13.675 0.000 0.327 53 R C -0.379 175.712 176.300 -0.347 0.000 1.137 53 R CA -0.127 55.749 56.100 -0.372 0.000 1.020 53 R CB 0.188 30.325 30.300 -0.272 0.000 1.110 53 R HN 0.840 nan 8.270 nan 0.000 0.499 54 Y N 1.371 121.552 120.300 -0.197 0.000 2.145 54 Y HA -0.246 -3.900 4.550 -13.674 0.000 0.286 54 Y C 1.724 177.526 175.900 -0.164 0.000 1.145 54 Y CA 1.579 59.560 58.100 -0.197 0.000 1.148 54 Y CB 0.314 38.643 38.460 -0.218 0.000 0.981 54 Y HN 0.533 nan 8.280 nan 0.000 0.507 55 E N -1.909 118.275 120.200 -0.026 0.000 2.372 55 E HA 0.099 -3.756 4.350 -13.675 0.000 0.201 55 E C 0.377 176.751 176.600 -0.375 0.000 0.938 55 E CA 0.588 56.917 56.400 -0.120 0.000 0.944 55 E CB 0.974 30.614 29.700 -0.099 0.000 0.937 55 E HN 0.100 nan 8.360 nan 0.000 0.495 56 T N -1.325 112.913 114.554 -0.528 0.000 2.827 56 T HA 0.067 -3.788 4.350 -13.675 0.000 0.328 56 T C 0.125 174.480 174.700 -0.576 0.000 1.598 56 T CA -0.117 61.431 62.100 -0.920 0.000 1.043 56 T CB 1.228 69.711 68.868 -0.641 0.000 1.447 56 T HN -0.023 nan 8.240 nan 0.000 0.491 57 S N 1.346 116.738 115.700 -0.514 0.000 2.562 57 S HA 0.270 -3.465 4.470 -13.675 0.000 0.221 57 S C 0.692 175.207 174.600 -0.142 0.000 0.975 57 S CA -0.351 57.721 58.200 -0.214 0.000 0.918 57 S CB -0.783 62.440 63.200 0.039 0.000 0.772 57 S HN 0.587 nan 8.310 nan 0.000 0.531 58 F N 2.897 122.764 119.950 -0.138 0.000 2.607 58 F HA 0.039 -3.640 4.527 -13.677 0.000 0.374 58 F C 1.647 177.376 175.800 -0.118 0.000 1.104 58 F CA -0.494 57.440 58.000 -0.109 0.000 1.296 58 F CB 0.403 39.331 39.000 -0.120 0.000 1.085 58 F HN 0.121 nan 8.300 nan 0.000 0.584 59 D N 2.240 122.724 120.400 0.139 0.000 2.221 59 D HA -0.183 -3.748 4.640 -13.675 0.000 0.204 59 D C 0.132 176.423 176.300 -0.015 0.000 0.982 59 D CA 1.399 55.431 54.000 0.052 0.000 0.857 59 D CB -0.117 40.791 40.800 0.180 0.000 0.934 59 D HN 0.574 nan 8.370 nan 0.000 0.475 60 N N 0.119 118.780 118.700 -0.065 0.000 3.114 60 N HA 0.121 -3.345 4.740 -13.675 0.000 0.289 60 N C -0.649 174.831 175.510 -0.049 0.000 1.519 60 N CA -0.397 52.589 53.050 -0.107 0.000 1.026 60 N CB 1.038 39.387 38.487 -0.230 0.000 1.306 60 N HN -0.029 nan 8.380 nan 0.000 0.495 61 S N -0.531 115.160 115.700 -0.016 0.000 2.776 61 S HA 0.451 -3.284 4.470 -13.675 0.000 0.292 61 S C -0.920 173.689 174.600 0.015 0.000 1.187 61 S CA -0.986 57.212 58.200 -0.003 0.000 0.834 61 S CB 0.980 64.170 63.200 -0.017 0.000 1.199 61 S HN 0.153 nan 8.310 nan 0.000 0.514 62 L N 1.315 122.558 121.223 0.034 0.000 2.433 62 L HA 0.592 -3.273 4.340 -13.675 0.000 0.275 62 L C -1.192 175.773 176.870 0.159 0.000 1.128 62 L CA 0.353 55.256 54.840 0.104 0.000 0.875 62 L CB -0.619 41.501 42.059 0.101 0.000 1.171 62 L HN 0.594 nan 8.230 nan 0.000 0.463 63 I N 4.301 124.957 120.570 0.145 0.000 2.607 63 I HA 0.368 -3.668 4.170 -13.675 0.000 0.290 63 I C -1.101 175.076 176.117 0.100 0.000 1.129 63 I CA -0.740 60.591 61.300 0.052 0.000 1.042 63 I CB 2.009 39.989 38.000 -0.032 0.000 1.242 63 I HN 0.433 nan 8.210 nan 0.000 0.421 64 D N 3.005 123.448 120.400 0.071 0.000 2.350 64 D HA 0.415 -3.150 4.640 -13.675 0.000 0.238 64 D C -0.556 175.715 176.300 -0.047 0.000 0.989 64 D CA -0.284 53.758 54.000 0.071 0.000 0.921 64 D CB 2.302 43.230 40.800 0.214 0.000 1.297 64 D HN 0.318 nan 8.370 nan 0.000 0.490 65 T N 0.570 115.079 114.554 -0.074 0.000 2.729 65 T HA 0.315 -3.540 4.350 -13.675 0.000 0.296 65 T C 0.054 174.691 174.700 -0.106 0.000 0.928 65 T CA -0.362 61.672 62.100 -0.110 0.000 1.045 65 T CB 0.858 69.625 68.868 -0.168 0.000 0.902 65 T HN 0.069 nan 8.240 nan 0.000 0.500 66 V N 2.960 122.863 119.914 -0.017 0.000 2.716 66 V HA 0.860 -3.225 4.120 -13.675 0.000 0.304 66 V C -0.363 175.796 176.094 0.108 0.000 1.053 66 V CA -0.627 61.721 62.300 0.080 0.000 0.984 66 V CB 1.269 33.251 31.823 0.265 0.000 1.021 66 V HN 1.040 nan 8.190 nan 0.000 0.467 67 A N 5.909 128.820 122.820 0.152 0.000 2.371 67 A HA 0.817 -3.068 4.320 -13.675 0.000 0.311 67 A C -0.738 177.014 177.584 0.281 0.000 1.068 67 A CA -0.838 51.363 52.037 0.274 0.000 0.744 67 A CB 1.380 20.597 19.000 0.362 0.000 1.239 67 A HN 0.836 nan 8.150 nan 0.000 0.435 68 K N 0.851 121.422 120.400 0.285 0.000 2.316 68 K HA 0.638 -3.247 4.320 -13.675 0.000 0.251 68 K C -1.661 175.233 176.600 0.489 0.000 0.934 68 K CA -0.497 55.883 56.287 0.155 0.000 0.802 68 K CB 2.162 34.456 32.500 -0.344 0.000 1.171 68 K HN 0.755 nan 8.250 nan 0.000 0.426 69 Y N -2.011 118.528 120.300 0.399 0.000 2.524 69 Y HA 0.667 -2.989 4.550 -13.676 0.000 0.347 69 Y C -0.786 175.101 175.900 -0.022 0.000 1.005 69 Y CA -1.051 57.203 58.100 0.257 0.000 1.025 69 Y CB 2.050 40.593 38.460 0.139 0.000 1.275 69 Y HN 0.416 nan 8.280 nan 0.000 0.460 70 S N 1.483 117.038 115.700 -0.242 0.000 2.547 70 S HA 0.496 -3.239 4.470 -13.675 0.000 0.281 70 S C -0.119 174.293 174.600 -0.314 0.000 1.118 70 S CA -0.234 57.601 58.200 -0.607 0.000 0.947 70 S CB 1.467 63.762 63.200 -1.510 0.000 1.053 70 S HN 1.351 nan 8.310 nan 0.000 0.482 71 V N 0.887 120.668 119.914 -0.222 0.000 3.647 71 V HA 0.396 -3.689 4.120 -13.675 0.000 0.279 71 V C 0.263 176.257 176.094 -0.166 0.000 1.314 71 V CA 0.587 62.800 62.300 -0.145 0.000 1.125 71 V CB -0.389 31.392 31.823 -0.071 0.000 0.907 71 V HN 0.810 nan 8.190 nan 0.000 0.434 72 D N -1.109 119.145 120.400 -0.243 0.000 2.788 72 D HA 0.155 -3.410 4.640 -13.675 0.000 0.289 72 D C 0.047 176.232 176.300 -0.192 0.000 1.340 72 D CA -0.421 53.469 54.000 -0.183 0.000 0.831 72 D CB -0.577 40.130 40.800 -0.155 0.000 1.103 72 D HN 0.252 nan 8.370 nan 0.000 0.476 73 D N 0.553 120.813 120.400 -0.233 0.000 2.708 73 D HA -0.150 -3.715 4.640 -13.675 0.000 0.236 73 D C 1.217 177.401 176.300 -0.194 0.000 1.146 73 D CA 1.541 55.426 54.000 -0.193 0.000 0.662 73 D CB -1.374 39.435 40.800 0.015 0.000 1.059 73 D HN 0.759 nan 8.370 nan 0.000 0.428 74 G N -0.380 108.083 108.800 -0.562 0.000 2.141 74 G HA2 -0.349 -4.594 3.960 -13.675 0.000 0.231 74 G HA3 -0.349 -4.594 3.960 -13.675 0.000 0.231 74 G C 0.747 175.506 174.900 -0.235 0.000 0.984 74 G CA 0.668 45.350 45.100 -0.697 0.000 0.660 74 G HN 0.419 nan 8.290 nan 0.000 0.525 75 E N 0.334 120.398 120.200 -0.226 0.000 2.076 75 E HA 0.186 -3.669 4.350 -13.675 0.000 0.190 75 E C 1.694 178.226 176.600 -0.114 0.000 0.979 75 E CA 1.882 58.237 56.400 -0.075 0.000 0.807 75 E CB 0.129 29.797 29.700 -0.053 0.000 0.761 75 E HN 0.875 nan 8.360 nan 0.000 0.454 76 T N -2.832 111.542 114.554 -0.299 0.000 2.906 76 T HA 0.613 -3.242 4.350 -13.675 0.000 0.295 76 T C -1.220 173.198 174.700 -0.471 0.000 1.061 76 T CA -0.949 61.021 62.100 -0.217 0.000 1.000 76 T CB 1.054 69.839 68.868 -0.140 0.000 1.103 76 T HN 0.079 nan 8.240 nan 0.000 0.486 77 W N 0.280 121.432 121.300 -0.246 0.000 3.032 77 W HA 0.623 -2.923 4.660 -13.677 0.000 0.335 77 W C -0.252 176.043 176.519 -0.373 0.000 1.154 77 W CA -0.733 56.413 57.345 -0.332 0.000 1.204 77 W CB 1.616 30.850 29.460 -0.376 0.000 1.416 77 W HN 0.591 nan 8.180 nan 0.000 0.521 78 E N 0.962 120.957 120.200 -0.341 0.000 2.227 78 E HA 0.654 -3.201 4.350 -13.675 0.000 0.268 78 E C -0.750 175.644 176.600 -0.344 0.000 0.990 78 E CA -0.536 55.600 56.400 -0.439 0.000 0.856 78 E CB 2.007 31.221 29.700 -0.809 0.000 1.159 78 E HN 0.237 nan 8.360 nan 0.000 0.401 79 T N 1.873 116.330 114.554 -0.161 0.000 2.886 79 T HA 0.446 -3.409 4.350 -13.675 0.000 0.292 79 T C -0.433 174.308 174.700 0.068 0.000 1.012 79 T CA -0.870 61.199 62.100 -0.051 0.000 0.982 79 T CB 1.645 70.461 68.868 -0.087 0.000 1.018 79 T HN 0.445 nan 8.240 nan 0.000 0.451 80 Q N 1.588 121.473 119.800 0.140 0.000 2.626 80 Q HA 0.621 -3.244 4.340 -13.675 0.000 0.300 80 Q C -1.635 174.425 176.000 0.100 0.000 0.988 80 Q CA -1.165 54.734 55.803 0.159 0.000 0.761 80 Q CB 1.362 30.264 28.738 0.272 0.000 1.494 80 Q HN 0.363 nan 8.270 nan 0.000 0.439 81 I N 1.717 122.318 120.570 0.051 0.000 2.315 81 I HA 0.281 -3.754 4.170 -13.675 0.000 0.291 81 I C 0.705 176.674 176.117 -0.247 0.000 1.006 81 I CA -0.167 61.109 61.300 -0.040 0.000 1.265 81 I CB 0.869 38.885 38.000 0.026 0.000 1.387 81 I HN 0.998 nan 8.210 nan 0.000 0.475 82 A N 7.728 130.228 122.820 -0.533 0.000 1.935 82 A HA 0.253 -3.632 4.320 -13.675 0.000 0.214 82 A C 0.879 177.992 177.584 -0.785 0.000 1.178 82 A CA 0.989 52.208 52.037 -1.363 0.000 0.640 82 A CB 0.184 18.087 19.000 -1.829 0.000 0.825 82 A HN 0.621 nan 8.150 nan 0.000 0.447 83 I N 0.214 120.531 120.570 -0.421 0.000 2.548 83 I HA 0.232 -3.803 4.170 -13.675 0.000 0.287 83 I C -0.779 175.265 176.117 -0.122 0.000 1.103 83 I CA -0.807 60.357 61.300 -0.226 0.000 1.049 83 I CB 2.193 40.073 38.000 -0.200 0.000 1.232 83 I HN 0.256 nan 8.210 nan 0.000 0.429 84 K N 6.055 126.406 120.400 -0.081 0.000 2.130 84 K HA 0.458 -3.427 4.320 -13.675 0.000 0.268 84 K C -0.339 176.239 176.600 -0.037 0.000 0.983 84 K CA -0.715 55.547 56.287 -0.042 0.000 0.893 84 K CB 1.425 33.885 32.500 -0.066 0.000 1.066 84 K HN 0.706 nan 8.250 nan 0.000 0.450 85 N N 1.112 119.811 118.700 -0.001 0.000 2.294 85 N HA -0.110 -3.575 4.740 -13.675 0.000 0.248 85 N C 0.596 176.093 175.510 -0.021 0.000 1.300 85 N CA -0.092 52.955 53.050 -0.005 0.000 0.925 85 N CB 0.788 39.299 38.487 0.040 0.000 1.188 85 N HN 0.791 nan 8.380 nan 0.000 0.512 86 S N -0.594 115.092 115.700 -0.023 0.000 2.474 86 S HA -0.085 -3.820 4.470 -13.675 0.000 0.235 86 S C 0.660 175.247 174.600 -0.021 0.000 0.997 86 S CA 0.032 58.213 58.200 -0.031 0.000 0.949 86 S CB -0.358 62.823 63.200 -0.031 0.000 0.766 86 S HN 0.697 nan 8.310 nan 0.000 0.517 87 R N -0.520 119.977 120.500 -0.004 0.000 3.878 87 R HA -0.186 -4.051 4.340 -13.675 0.000 0.330 87 R C 1.146 177.449 176.300 0.005 0.000 1.186 87 R CA 0.859 56.961 56.100 0.002 0.000 0.885 87 R CB -2.613 27.669 30.300 -0.031 0.000 1.377 87 R HN 0.676 nan 8.270 nan 0.000 0.523 88 A N 0.308 123.133 122.820 0.008 0.000 1.968 88 A HA 0.025 -3.860 4.320 -13.675 0.000 0.217 88 A C 1.153 178.744 177.584 0.012 0.000 1.169 88 A CA 1.654 53.695 52.037 0.007 0.000 0.638 88 A CB 0.106 19.111 19.000 0.008 0.000 0.812 88 A HN 0.666 nan 8.150 nan 0.000 0.446 89 S N -2.748 112.964 115.700 0.020 0.000 2.752 89 S HA 0.378 -3.357 4.470 -13.675 0.000 0.284 89 S C 0.749 175.362 174.600 0.021 0.000 1.189 89 S CA 0.420 58.631 58.200 0.017 0.000 0.835 89 S CB 0.696 63.905 63.200 0.016 0.000 1.192 89 S HN 0.793 nan 8.310 nan 0.000 0.506 90 S N -0.192 115.515 115.700 0.011 0.000 2.507 90 S HA -0.036 -3.771 4.470 -13.675 0.000 0.235 90 S C 1.310 175.917 174.600 0.011 0.000 0.988 90 S CA 0.873 59.076 58.200 0.005 0.000 0.944 90 S CB -0.933 62.262 63.200 -0.009 0.000 0.762 90 S HN 1.721 nan 8.310 nan 0.000 0.526 91 V N -2.070 117.856 119.914 0.020 0.000 3.159 91 V HA 0.450 -3.635 4.120 -13.675 0.000 0.333 91 V C 0.153 176.278 176.094 0.052 0.000 1.424 91 V CA -0.686 61.629 62.300 0.026 0.000 1.125 91 V CB -0.402 31.426 31.823 0.007 0.000 1.075 91 V HN 0.253 nan 8.190 nan 0.000 0.482 92 S N 3.023 118.759 115.700 0.060 0.000 2.568 92 S HA 0.593 -3.143 4.470 -13.675 0.000 0.282 92 S C 0.170 174.822 174.600 0.087 0.000 1.338 92 S CA -0.143 58.102 58.200 0.075 0.000 1.045 92 S CB 0.325 63.557 63.200 0.054 0.000 0.873 92 S HN 0.945 nan 8.310 nan 0.000 0.516 93 R N -0.829 119.729 120.500 0.096 0.000 2.604 93 R HA 0.567 -3.298 4.340 -13.675 0.000 0.261 93 R C -1.714 174.624 176.300 0.062 0.000 1.080 93 R CA -1.041 55.111 56.100 0.087 0.000 0.917 93 R CB 0.529 30.885 30.300 0.094 0.000 1.252 93 R HN 0.404 nan 8.270 nan 0.000 0.456 94 V N -0.117 119.806 119.914 0.015 0.000 2.435 94 V HA 0.830 -3.255 4.120 -13.675 0.000 0.290 94 V C 0.322 176.396 176.094 -0.033 0.000 1.030 94 V CA -0.719 61.557 62.300 -0.039 0.000 0.881 94 V CB 1.225 33.002 31.823 -0.077 0.000 0.983 94 V HN 0.698 nan 8.190 nan 0.000 0.445 95 V N 0.030 119.918 119.914 -0.043 0.000 2.876 95 V HA 0.746 -3.339 4.120 -13.675 0.000 0.312 95 V C -0.400 175.645 176.094 -0.080 0.000 1.085 95 V CA -0.666 61.612 62.300 -0.037 0.000 0.945 95 V CB 1.443 33.283 31.823 0.028 0.000 1.017 95 V HN 0.922 nan 8.190 nan 0.000 0.428 96 D N 1.376 121.738 120.400 -0.064 0.000 2.705 96 D HA -0.098 -3.663 4.640 -13.675 0.000 0.240 96 D C -2.400 173.867 176.300 -0.055 0.000 1.137 96 D CA 1.183 55.153 54.000 -0.050 0.000 0.677 96 D CB -1.073 39.676 40.800 -0.085 0.000 1.049 96 D HN 0.785 nan 8.370 nan 0.000 0.427 97 P HA 0.050 nan 4.420 nan 0.000 0.263 97 P C -0.262 177.056 177.300 0.031 0.000 1.195 97 P CA 0.346 63.432 63.100 -0.025 0.000 0.762 97 P CB 0.883 32.570 31.700 -0.021 0.000 0.799 98 T N 2.853 117.435 114.554 0.048 0.000 2.812 98 T HA 0.387 -3.468 4.350 -13.675 0.000 0.282 98 T C -0.120 174.784 174.700 0.341 0.000 0.990 98 T CA -0.466 61.732 62.100 0.163 0.000 0.960 98 T CB 1.134 70.066 68.868 0.107 0.000 0.948 98 T HN 0.068 nan 8.240 nan 0.000 0.438 99 V N 4.694 124.814 119.914 0.343 0.000 2.459 99 V HA 0.580 -3.505 4.120 -13.675 0.000 0.295 99 V C -0.281 175.997 176.094 0.307 0.000 1.029 99 V CA -0.837 61.670 62.300 0.345 0.000 0.874 99 V CB 1.564 33.543 31.823 0.260 0.000 0.985 99 V HN 0.797 nan 8.190 nan 0.000 0.438 100 I N 4.059 124.812 120.570 0.305 0.000 2.509 100 I HA 0.510 -3.525 4.170 -13.675 0.000 0.293 100 I C -0.665 175.610 176.117 0.263 0.000 1.020 100 I CA -0.937 60.470 61.300 0.178 0.000 1.088 100 I CB 2.286 40.280 38.000 -0.010 0.000 1.267 100 I HN 0.265 nan 8.210 nan 0.000 0.430 101 V N 5.862 125.884 119.914 0.181 0.000 2.394 101 V HA 0.423 -3.662 4.120 -13.675 0.000 0.282 101 V C -0.154 176.030 176.094 0.149 0.000 1.031 101 V CA -0.561 61.841 62.300 0.169 0.000 0.881 101 V CB 1.539 33.430 31.823 0.114 0.000 0.982 101 V HN 0.634 nan 8.190 nan 0.000 0.451 102 K N 3.251 123.767 120.400 0.194 0.000 2.541 102 K HA 0.587 -3.298 4.320 -13.675 0.000 0.250 102 K C 0.658 177.320 176.600 0.104 0.000 0.950 102 K CA 0.351 56.721 56.287 0.138 0.000 0.805 102 K CB 1.532 34.119 32.500 0.144 0.000 1.166 102 K HN 0.905 nan 8.250 nan 0.000 0.430 103 G N 3.718 112.547 108.800 0.049 0.000 2.629 103 G HA2 -0.415 -4.660 3.960 -13.675 0.000 0.313 103 G HA3 -0.415 -4.660 3.960 -13.675 0.000 0.313 103 G C 0.216 175.116 174.900 -0.000 0.000 1.217 103 G CA 0.691 45.802 45.100 0.019 0.000 0.994 103 G HN 0.826 nan 8.290 nan 0.000 0.549 104 N N 1.354 120.038 118.700 -0.026 0.000 2.279 104 N HA 0.152 -3.313 4.740 -13.675 0.000 0.226 104 N C -0.019 175.420 175.510 -0.119 0.000 1.126 104 N CA 0.332 53.341 53.050 -0.069 0.000 0.846 104 N CB 0.383 38.821 38.487 -0.081 0.000 1.050 104 N HN 0.613 nan 8.380 nan 0.000 0.502 105 K N 0.912 121.254 120.400 -0.096 0.000 2.259 105 K HA 0.406 -3.479 4.320 -13.675 0.000 0.252 105 K C -0.671 175.829 176.600 -0.167 0.000 0.936 105 K CA -0.705 55.453 56.287 -0.216 0.000 0.810 105 K CB 2.526 34.861 32.500 -0.275 0.000 1.143 105 K HN 0.036 nan 8.250 nan 0.000 0.427 106 L N 3.154 124.213 121.223 -0.273 0.000 2.272 106 L HA 0.369 -3.496 4.340 -13.675 0.000 0.289 106 L C -0.823 175.950 176.870 -0.161 0.000 1.032 106 L CA -0.765 54.024 54.840 -0.085 0.000 0.810 106 L CB 0.355 42.398 42.059 -0.027 0.000 1.205 106 L HN 0.434 nan 8.230 nan 0.000 0.422 107 Y N 2.875 123.292 120.300 0.195 0.000 2.342 107 Y HA 0.514 -3.142 4.550 -13.676 0.000 0.338 107 Y C -0.136 175.983 175.900 0.364 0.000 0.965 107 Y CA -0.773 57.497 58.100 0.283 0.000 1.159 107 Y CB 1.608 40.247 38.460 0.299 0.000 1.157 107 Y HN 0.172 nan 8.280 nan 0.000 0.486 108 V N 5.717 125.892 119.914 0.434 0.000 2.444 108 V HA 0.326 -3.759 4.120 -13.675 0.000 0.294 108 V C -0.812 175.374 176.094 0.153 0.000 1.022 108 V CA -0.809 61.676 62.300 0.309 0.000 0.850 108 V CB 1.707 33.683 31.823 0.254 0.000 0.992 108 V HN 0.522 nan 8.190 nan 0.000 0.426 109 L N 7.751 128.977 121.223 0.006 0.000 2.287 109 L HA 0.823 -3.042 4.340 -13.675 0.000 0.287 109 L C -0.363 176.365 176.870 -0.236 0.000 1.022 109 L CA -0.027 54.658 54.840 -0.257 0.000 0.814 109 L CB 1.544 43.137 42.059 -0.776 0.000 1.217 109 L HN 0.587 nan 8.230 nan 0.000 0.420 110 V N 2.184 121.952 119.914 -0.243 0.000 2.789 110 V HA 0.925 -3.160 4.120 -13.675 0.000 0.311 110 V C 0.431 176.331 176.094 -0.323 0.000 1.073 110 V CA -0.353 61.809 62.300 -0.231 0.000 0.921 110 V CB 1.075 32.798 31.823 -0.167 0.000 1.009 110 V HN 0.843 nan 8.190 nan 0.000 0.426 111 G N 1.214 109.833 108.800 -0.301 0.000 2.569 111 G HA2 0.478 -3.767 3.960 -13.675 0.000 0.249 111 G HA3 0.478 -3.767 3.960 -13.675 0.000 0.249 111 G C -0.220 174.462 174.900 -0.365 0.000 1.216 111 G CA 0.122 44.997 45.100 -0.375 0.000 0.845 111 G HN 1.290 nan 8.290 nan 0.000 0.568 112 S N -0.192 115.151 115.700 -0.595 0.000 2.614 112 S HA 0.652 -3.083 4.470 -13.675 0.000 0.288 112 S C -1.543 172.691 174.600 -0.609 0.000 1.137 112 S CA -0.665 57.277 58.200 -0.430 0.000 0.992 112 S CB 0.653 63.635 63.200 -0.364 0.000 1.026 112 S HN 0.438 nan 8.310 nan 0.000 0.486 113 Y N 3.384 123.668 120.300 -0.025 0.000 2.425 113 Y HA 0.480 -3.175 4.550 -13.676 0.000 0.344 113 Y C 1.158 177.072 175.900 0.023 0.000 0.969 113 Y CA -0.882 57.247 58.100 0.047 0.000 1.052 113 Y CB 1.771 40.294 38.460 0.105 0.000 1.215 113 Y HN 0.592 nan 8.280 nan 0.000 0.451 114 N N 0.236 119.037 118.700 0.169 0.000 2.349 114 N HA -0.064 -3.529 4.740 -13.675 0.000 0.180 114 N C 1.055 176.618 175.510 0.088 0.000 1.024 114 N CA 1.465 54.568 53.050 0.088 0.000 0.869 114 N CB 0.193 38.710 38.487 0.050 0.000 1.022 114 N HN 0.609 nan 8.380 nan 0.000 0.433 115 S N -2.001 113.758 115.700 0.099 0.000 2.820 115 S HA 0.191 -3.544 4.470 -13.675 0.000 0.265 115 S C 0.304 174.923 174.600 0.031 0.000 1.043 115 S CA -0.533 57.698 58.200 0.053 0.000 1.245 115 S CB -0.014 63.202 63.200 0.027 0.000 1.187 115 S HN 0.054 nan 8.310 nan 0.000 0.673 116 S N 1.183 116.919 115.700 0.059 0.000 2.572 116 S HA 0.417 -3.318 4.470 -13.675 0.000 0.279 116 S C 0.700 175.270 174.600 -0.051 0.000 1.341 116 S CA -0.320 57.868 58.200 -0.020 0.000 1.043 116 S CB 0.712 63.899 63.200 -0.022 0.000 0.887 116 S HN 0.533 nan 8.310 nan 0.000 0.516 117 R N 1.648 122.090 120.500 -0.097 0.000 2.472 117 R HA 0.286 -3.579 4.340 -13.675 0.000 0.279 117 R C -0.309 175.859 176.300 -0.221 0.000 0.953 117 R CA -0.086 55.927 56.100 -0.145 0.000 1.088 117 R CB 0.736 30.957 30.300 -0.131 0.000 1.197 117 R HN 0.428 nan 8.270 nan 0.000 0.536 118 S N -0.163 115.455 115.700 -0.137 0.000 2.549 118 S HA 0.343 -3.392 4.470 -13.675 0.000 0.297 118 S C -0.651 173.951 174.600 0.003 0.000 1.115 118 S CA -0.674 57.462 58.200 -0.107 0.000 1.059 118 S CB 0.887 64.093 63.200 0.011 0.000 1.046 118 S HN 0.102 nan 8.310 nan 0.000 0.506 119 Y N 2.922 123.234 120.300 0.020 0.000 2.597 119 Y HA -0.056 -3.710 4.550 -13.672 0.000 0.336 119 Y C 1.706 177.546 175.900 -0.100 0.000 1.216 119 Y CA -0.237 57.851 58.100 -0.020 0.000 1.463 119 Y CB 0.394 38.832 38.460 -0.037 0.000 1.303 119 Y HN 0.887 nan 8.280 nan 0.000 0.576 120 W N 1.515 122.676 121.300 -0.231 0.000 2.342 120 W HA -0.220 -3.767 4.660 -13.679 0.000 0.297 120 W C 1.432 177.714 176.519 -0.395 0.000 1.213 120 W CA 1.981 58.980 57.345 -0.578 0.000 1.251 120 W CB -1.596 27.663 29.460 -0.334 0.000 1.136 120 W HN 0.607 nan 8.180 nan 0.000 0.526 121 T N -0.555 113.454 114.554 -0.908 0.000 3.118 121 T HA -0.055 -3.910 4.350 -13.675 0.000 0.260 121 T C 1.918 176.425 174.700 -0.322 0.000 1.139 121 T CA 1.333 62.951 62.100 -0.804 0.000 1.085 121 T CB -0.696 67.668 68.868 -0.839 0.000 0.934 121 T HN 0.266 nan 8.240 nan 0.000 0.518 122 S N 0.123 115.742 115.700 -0.135 0.000 2.527 122 S HA 0.033 -3.702 4.470 -13.675 0.000 0.222 122 S C 0.399 175.075 174.600 0.127 0.000 0.985 122 S CA -0.465 57.747 58.200 0.019 0.000 0.921 122 S CB -0.707 62.544 63.200 0.086 0.000 0.772 122 S HN 0.597 nan 8.310 nan 0.000 0.529 123 H N 1.404 120.451 119.070 -0.039 0.000 2.803 123 H HA 0.468 -3.180 4.556 -13.674 0.000 0.330 123 H C 1.522 176.842 175.328 -0.013 0.000 1.057 123 H CA -0.024 56.027 56.048 0.004 0.000 1.458 123 H CB 0.725 30.528 29.762 0.068 0.000 1.470 123 H HN 0.295 nan 8.280 nan 0.000 0.560 124 G N 1.999 110.864 108.800 0.108 0.000 2.572 124 G HA2 -0.024 -4.269 3.960 -13.675 0.000 0.216 124 G HA3 -0.024 -4.269 3.960 -13.675 0.000 0.216 124 G C -0.180 174.757 174.900 0.061 0.000 1.133 124 G CA 0.641 45.773 45.100 0.053 0.000 0.791 124 G HN 0.746 nan 8.290 nan 0.000 0.538 125 D N -2.914 117.548 120.400 0.103 0.000 2.759 125 D HA 0.507 -3.059 4.640 -13.675 0.000 0.321 125 D C 0.164 176.570 176.300 0.177 0.000 1.267 125 D CA -0.178 53.885 54.000 0.106 0.000 0.933 125 D CB 0.766 41.611 40.800 0.075 0.000 1.431 125 D HN -0.047 nan 8.370 nan 0.000 0.504 126 A N -0.447 122.486 122.820 0.188 0.000 2.462 126 A HA 0.165 -3.720 4.320 -13.675 0.000 0.261 126 A C 1.625 179.400 177.584 0.318 0.000 1.323 126 A CA 0.083 52.294 52.037 0.290 0.000 0.913 126 A CB -0.809 18.386 19.000 0.325 0.000 1.028 126 A HN 0.521 nan 8.150 nan 0.000 0.511 127 R N -0.421 120.210 120.500 0.218 0.000 2.127 127 R HA -0.160 -4.025 4.340 -13.675 0.000 0.238 127 R C 0.801 177.207 176.300 0.177 0.000 1.134 127 R CA 1.963 58.160 56.100 0.161 0.000 0.975 127 R CB -0.326 30.029 30.300 0.093 0.000 0.865 127 R HN 0.266 nan 8.270 nan 0.000 0.447 128 D N -0.845 119.708 120.400 0.255 0.000 2.369 128 D HA 0.042 -3.523 4.640 -13.675 0.000 0.211 128 D C -0.794 175.663 176.300 0.263 0.000 1.077 128 D CA -0.196 53.964 54.000 0.267 0.000 0.842 128 D CB 0.218 41.212 40.800 0.324 0.000 0.947 128 D HN 0.349 nan 8.370 nan 0.000 0.509 129 W N 0.803 122.108 121.300 0.008 0.000 2.606 129 W HA 0.538 -3.008 4.660 -13.676 0.000 0.332 129 W C -0.938 175.433 176.519 -0.246 0.000 1.052 129 W CA -0.632 56.550 57.345 -0.272 0.000 1.223 129 W CB 1.160 30.551 29.460 -0.115 0.000 1.383 129 W HN -0.305 nan 8.180 nan 0.000 0.524 130 D N 3.502 123.177 120.400 -1.209 0.000 2.610 130 D HA 0.432 -3.133 4.640 -13.675 0.000 0.271 130 D C -1.933 173.323 176.300 -1.740 0.000 1.174 130 D CA -0.675 52.475 54.000 -1.417 0.000 0.949 130 D CB 2.248 42.640 40.800 -0.679 0.000 1.430 130 D HN 0.330 nan 8.370 nan 0.000 0.467 131 I N 1.653 121.429 120.570 -1.322 0.000 2.478 131 I HA 0.446 -3.589 4.170 -13.675 0.000 0.287 131 I C -1.648 174.130 176.117 -0.565 0.000 1.042 131 I CA -0.377 60.341 61.300 -0.970 0.000 1.067 131 I CB 1.068 38.368 38.000 -1.167 0.000 1.233 131 I HN 0.314 nan 8.210 nan 0.000 0.431 132 L N 7.105 128.073 121.223 -0.425 0.000 2.354 132 L HA 0.626 -3.239 4.340 -13.675 0.000 0.269 132 L C -1.282 175.486 176.870 -0.169 0.000 1.005 132 L CA -1.082 53.608 54.840 -0.249 0.000 0.819 132 L CB 2.059 43.989 42.059 -0.214 0.000 1.311 132 L HN 0.456 nan 8.230 nan 0.000 0.423 133 L N 2.321 123.513 121.223 -0.051 0.000 2.325 133 L HA 0.832 -3.033 4.340 -13.675 0.000 0.281 133 L C -0.455 176.485 176.870 0.117 0.000 1.004 133 L CA -0.064 54.810 54.840 0.057 0.000 0.823 133 L CB 1.511 43.663 42.059 0.154 0.000 1.236 133 L HN 0.706 nan 8.230 nan 0.000 0.415 134 A N 4.643 127.555 122.820 0.154 0.000 2.350 134 A HA 0.851 -3.034 4.320 -13.675 0.000 0.324 134 A C -1.367 176.377 177.584 0.267 0.000 1.118 134 A CA -0.574 51.587 52.037 0.206 0.000 0.783 134 A CB 1.671 20.792 19.000 0.201 0.000 1.236 134 A HN 0.466 nan 8.150 nan 0.000 0.457 135 V N 1.463 121.482 119.914 0.176 0.000 2.448 135 V HA 0.681 -3.404 4.120 -13.675 0.000 0.295 135 V C 0.684 176.661 176.094 -0.195 0.000 1.025 135 V CA -0.180 62.073 62.300 -0.079 0.000 0.859 135 V CB 1.688 33.376 31.823 -0.224 0.000 0.988 135 V HN 1.170 nan 8.190 nan 0.000 0.431 136 G N 2.781 111.199 108.800 -0.638 0.000 2.379 136 G HA2 0.641 -3.604 3.960 -13.675 0.000 0.327 136 G HA3 0.641 -3.604 3.960 -13.675 0.000 0.327 136 G C -0.932 173.501 174.900 -0.780 0.000 1.145 136 G CA -0.357 43.958 45.100 -1.310 0.000 0.905 136 G HN 0.707 nan 8.290 nan 0.000 0.466 137 E N 1.688 121.517 120.200 -0.618 0.000 2.176 137 E HA 0.464 -3.391 4.350 -13.675 0.000 0.267 137 E C -0.922 175.451 176.600 -0.379 0.000 0.893 137 E CA -0.617 55.545 56.400 -0.396 0.000 0.761 137 E CB 1.858 31.396 29.700 -0.270 0.000 1.133 137 E HN 0.208 nan 8.360 nan 0.000 0.409 138 V N 4.200 123.929 119.914 -0.308 0.000 2.383 138 V HA 0.313 -3.772 4.120 -13.675 0.000 0.275 138 V C -0.080 175.897 176.094 -0.196 0.000 1.036 138 V CA -0.361 61.772 62.300 -0.279 0.000 0.889 138 V CB 1.526 33.206 31.823 -0.239 0.000 0.985 138 V HN 0.736 nan 8.190 nan 0.000 0.459 139 T N 5.767 120.211 114.554 -0.184 0.000 2.807 139 T HA 0.462 -3.394 4.350 -13.675 0.000 0.279 139 T C -0.298 174.340 174.700 -0.102 0.000 0.993 139 T CA -0.723 61.303 62.100 -0.123 0.000 0.970 139 T CB 1.274 70.078 68.868 -0.107 0.000 0.950 139 T HN 0.559 nan 8.240 nan 0.000 0.441 140 K N 1.579 121.934 120.400 -0.075 0.000 2.118 140 K HA 0.781 -3.104 4.320 -13.675 0.000 0.254 140 K C 0.033 176.610 176.600 -0.040 0.000 0.961 140 K CA -0.645 55.609 56.287 -0.054 0.000 0.876 140 K CB 1.807 34.279 32.500 -0.048 0.000 1.077 140 K HN 0.576 nan 8.250 nan 0.000 0.440 141 S N -0.400 115.283 115.700 -0.028 0.000 2.873 141 S HA 0.413 -3.322 4.470 -13.675 0.000 0.303 141 S C -1.240 173.350 174.600 -0.017 0.000 1.222 141 S CA -0.358 57.829 58.200 -0.021 0.000 0.923 141 S CB 1.331 64.520 63.200 -0.018 0.000 1.286 141 S HN 0.666 nan 8.310 nan 0.000 0.571 142 T N -0.427 114.119 114.554 -0.014 0.000 3.967 142 T HA 0.659 -3.196 4.350 -13.675 0.000 0.262 142 T C 0.071 174.765 174.700 -0.010 0.000 0.966 142 T CA 0.223 62.315 62.100 -0.012 0.000 1.169 142 T CB -0.195 68.665 68.868 -0.014 0.000 1.038 142 T HN 1.171 nan 8.240 nan 0.000 0.541 143 A N 0.489 123.305 122.820 -0.007 0.000 2.580 143 A HA 0.500 -3.385 4.320 -13.675 0.000 0.244 143 A C 1.757 179.337 177.584 -0.007 0.000 1.045 143 A CA 0.747 52.782 52.037 -0.005 0.000 0.761 143 A CB -1.105 17.894 19.000 -0.001 0.000 0.962 143 A HN 2.147 nan 8.150 nan 0.000 0.512 144 G N 1.385 110.181 108.800 -0.006 0.000 2.198 144 G HA2 0.140 -4.105 3.960 -13.675 0.000 0.260 144 G HA3 0.140 -4.105 3.960 -13.675 0.000 0.260 144 G C 1.650 176.545 174.900 -0.009 0.000 1.025 144 G CA 1.047 46.143 45.100 -0.007 0.000 0.769 144 G HN 2.882 nan 8.290 nan 0.000 0.507 145 G N -1.079 107.716 108.800 -0.009 0.000 2.162 145 G HA2 -0.197 -4.442 3.960 -13.675 0.000 0.260 145 G HA3 -0.197 -4.442 3.960 -13.675 0.000 0.260 145 G C 0.329 175.221 174.900 -0.013 0.000 0.976 145 G CA 1.553 46.647 45.100 -0.010 0.000 0.655 145 G HN 1.836 nan 8.290 nan 0.000 0.533 146 K N 0.062 120.454 120.400 -0.014 0.000 2.259 146 K HA 0.766 -3.119 4.320 -13.675 0.000 0.249 146 K C 0.040 176.630 176.600 -0.018 0.000 0.942 146 K CA -1.403 54.874 56.287 -0.017 0.000 0.816 146 K CB 2.133 34.622 32.500 -0.019 0.000 1.155 146 K HN -0.045 nan 8.250 nan 0.000 0.428 147 I N 3.020 123.577 120.570 -0.022 0.000 2.618 147 I HA 0.002 -4.034 4.170 -13.675 0.000 0.284 147 I C 0.723 176.830 176.117 -0.018 0.000 1.146 147 I CA 0.557 61.844 61.300 -0.022 0.000 1.425 147 I CB 0.149 38.132 38.000 -0.028 0.000 1.383 147 I HN 0.902 nan 8.210 nan 0.000 0.562 148 T N 2.777 117.326 114.554 -0.008 0.000 2.887 148 T HA 0.917 -2.938 4.350 -13.675 0.000 0.292 148 T C -0.587 174.124 174.700 0.018 0.000 1.087 148 T CA -0.845 61.262 62.100 0.012 0.000 1.009 148 T CB 2.440 71.319 68.868 0.018 0.000 1.203 148 T HN 0.749 nan 8.240 nan 0.000 0.518 149 A N 0.866 123.727 122.820 0.069 0.000 2.515 149 A HA 0.945 -2.940 4.320 -13.675 0.000 0.296 149 A C -0.245 177.353 177.584 0.023 0.000 1.094 149 A CA -0.640 51.407 52.037 0.016 0.000 0.718 149 A CB 1.567 20.554 19.000 -0.023 0.000 1.307 149 A HN 1.781 nan 8.150 nan 0.000 0.408 150 S N -0.151 115.464 115.700 -0.140 0.000 2.595 150 S HA 0.839 -2.896 4.470 -13.675 0.000 0.281 150 S C -1.019 173.354 174.600 -0.379 0.000 1.117 150 S CA -0.589 57.494 58.200 -0.196 0.000 0.873 150 S CB 1.222 64.391 63.200 -0.052 0.000 1.108 150 S HN 0.705 nan 8.310 nan 0.000 0.477 151 I N 1.331 121.662 120.570 -0.399 0.000 2.439 151 I HA 0.472 -3.563 4.170 -13.675 0.000 0.285 151 I C -0.876 175.060 176.117 -0.301 0.000 1.021 151 I CA -0.737 60.297 61.300 -0.443 0.000 1.091 151 I CB 2.091 39.778 38.000 -0.521 0.000 1.242 151 I HN 0.505 nan 8.210 nan 0.000 0.439 152 K N 6.232 126.417 120.400 -0.357 0.000 2.265 152 K HA 0.384 -3.501 4.320 -13.675 0.000 0.267 152 K C -1.775 174.622 176.600 -0.338 0.000 0.994 152 K CA -0.361 55.803 56.287 -0.206 0.000 0.860 152 K CB 0.651 33.069 32.500 -0.137 0.000 1.099 152 K HN 0.340 nan 8.250 nan 0.000 0.448 153 W N 2.947 124.232 121.300 -0.026 0.000 2.361 153 W HA 0.474 -3.072 4.660 -13.677 0.000 0.309 153 W C 1.007 177.514 176.519 -0.019 0.000 1.122 153 W CA -0.661 56.671 57.345 -0.023 0.000 1.208 153 W CB 1.550 31.009 29.460 -0.003 0.000 1.246 153 W HN 0.771 nan 8.180 nan 0.000 0.490 154 G N 1.510 110.420 108.800 0.183 0.000 2.606 154 G HA2 0.349 -3.896 3.960 -13.675 0.000 0.252 154 G HA3 0.349 -3.896 3.960 -13.675 0.000 0.252 154 G C -0.012 174.973 174.900 0.142 0.000 1.206 154 G CA -0.716 44.457 45.100 0.121 0.000 0.861 154 G HN 0.517 nan 8.290 nan 0.000 0.561 155 S N 1.121 116.874 115.700 0.088 0.000 2.564 155 S HA 0.409 -3.326 4.470 -13.675 0.000 0.278 155 S C -2.322 172.316 174.600 0.064 0.000 1.333 155 S CA -1.021 57.218 58.200 0.064 0.000 1.048 155 S CB 1.135 64.358 63.200 0.039 0.000 0.900 155 S HN 0.401 nan 8.310 nan 0.000 0.505 156 P HA 0.356 nan 4.420 nan 0.000 0.271 156 P C -1.085 176.227 177.300 0.020 0.000 1.216 156 P CA -0.554 62.563 63.100 0.028 0.000 0.776 156 P CB 0.549 32.236 31.700 -0.022 0.000 0.881 157 V N 1.891 121.828 119.914 0.040 0.000 2.495 157 V HA 0.305 -3.780 4.120 -13.675 0.000 0.298 157 V C 0.462 176.566 176.094 0.017 0.000 1.031 157 V CA -0.609 61.722 62.300 0.051 0.000 0.871 157 V CB 1.712 33.609 31.823 0.122 0.000 0.988 157 V HN 0.616 nan 8.190 nan 0.000 0.432 158 S N 4.345 120.035 115.700 -0.017 0.000 2.528 158 S HA 0.359 -3.376 4.470 -13.675 0.000 0.277 158 S C 0.576 175.193 174.600 0.029 0.000 1.297 158 S CA -0.452 57.704 58.200 -0.074 0.000 1.052 158 S CB 0.247 63.378 63.200 -0.115 0.000 0.917 158 S HN 0.612 nan 8.310 nan 0.000 0.492 159 L N 5.093 126.337 121.223 0.035 0.000 2.653 159 L HA 0.252 -3.613 4.340 -13.675 0.000 0.231 159 L C 2.167 179.213 176.870 0.292 0.000 1.153 159 L CA -0.071 54.948 54.840 0.298 0.000 0.933 159 L CB -0.272 41.966 42.059 0.298 0.000 1.175 159 L HN 0.721 nan 8.230 nan 0.000 0.473 160 K N 1.725 122.163 120.400 0.064 0.000 2.152 160 K HA -0.211 -4.096 4.320 -13.675 0.000 0.206 160 K C 1.861 178.597 176.600 0.227 0.000 1.048 160 K CA 1.794 58.174 56.287 0.155 0.000 0.933 160 K CB 0.165 32.660 32.500 -0.009 0.000 0.721 160 K HN 0.548 nan 8.250 nan 0.000 0.447 161 E N -0.555 119.629 120.200 -0.026 0.000 2.333 161 E HA -0.184 -4.039 4.350 -13.675 0.000 0.198 161 E C 0.925 177.434 176.600 -0.152 0.000 1.007 161 E CA 0.952 57.249 56.400 -0.172 0.000 0.845 161 E CB -0.295 29.153 29.700 -0.421 0.000 0.766 161 E HN 0.379 nan 8.360 nan 0.000 0.507 162 F N 0.089 120.298 119.950 0.432 0.000 2.732 162 F HA 0.211 -3.467 4.527 -13.675 0.000 0.303 162 F C 0.373 176.610 175.800 0.728 0.000 1.110 162 F CA -0.598 57.719 58.000 0.528 0.000 1.355 162 F CB 0.335 39.687 39.000 0.587 0.000 1.081 162 F HN -0.031 nan 8.300 nan 0.000 0.565 163 F N 5.137 125.425 119.950 0.564 0.000 2.334 163 F HA 0.435 -3.243 4.527 -13.675 0.000 0.367 163 F C -2.107 173.840 175.800 0.245 0.000 1.115 163 F CA -4.372 53.908 58.000 0.467 0.000 1.116 163 F CB 0.173 39.531 39.000 0.595 0.000 1.230 163 F HN -0.198 nan 8.300 nan 0.000 0.484 164 P HA 0.164 nan 4.420 nan 0.000 0.272 164 P C -0.039 177.061 177.300 -0.333 0.000 1.223 164 P CA -0.113 62.923 63.100 -0.105 0.000 0.784 164 P CB 1.244 32.896 31.700 -0.080 0.000 0.923 165 A N 2.424 125.144 122.820 -0.167 0.000 2.015 165 A HA -0.079 -3.964 4.320 -13.675 0.000 0.219 165 A C 0.837 178.334 177.584 -0.146 0.000 1.163 165 A CA 1.181 53.132 52.037 -0.144 0.000 0.646 165 A CB -0.400 18.589 19.000 -0.019 0.000 0.806 165 A HN 0.708 nan 8.150 nan 0.000 0.448 166 E N -1.408 118.692 120.200 -0.166 0.000 2.317 166 E HA 0.667 -3.188 4.350 -13.675 0.000 0.270 166 E C -1.260 175.222 176.600 -0.196 0.000 0.885 166 E CA -0.466 55.810 56.400 -0.206 0.000 0.760 166 E CB 1.933 31.510 29.700 -0.205 0.000 1.227 166 E HN 0.301 nan 8.360 nan 0.000 0.434 167 M N 1.293 120.774 119.600 -0.197 0.000 2.572 167 M HA 0.260 -3.465 4.480 -13.675 0.000 0.299 167 M C -0.623 175.576 176.300 -0.167 0.000 1.205 167 M CA -1.118 54.087 55.300 -0.159 0.000 0.876 167 M CB 2.186 34.705 32.600 -0.134 0.000 1.728 167 M HN 0.412 nan 8.290 nan 0.000 0.458 168 E N 0.946 121.061 120.200 -0.142 0.000 2.694 168 E HA 0.150 -3.705 4.350 -13.675 0.000 0.250 168 E C 1.014 177.527 176.600 -0.145 0.000 0.963 168 E CA 2.075 58.397 56.400 -0.130 0.000 0.949 168 E CB -0.047 29.588 29.700 -0.108 0.000 0.911 168 E HN 0.756 nan 8.360 nan 0.000 0.500 169 G N 3.393 112.114 108.800 -0.131 0.000 2.184 169 G HA2 -0.276 -4.521 3.960 -13.675 0.000 0.264 169 G HA3 -0.276 -4.521 3.960 -13.675 0.000 0.264 169 G C 0.199 175.018 174.900 -0.135 0.000 0.975 169 G CA 0.721 45.754 45.100 -0.111 0.000 0.642 169 G HN 0.764 nan 8.290 nan 0.000 0.536 170 M N -2.401 117.073 119.600 -0.211 0.000 2.721 170 M HA 0.686 -3.039 4.480 -13.675 0.000 0.271 170 M C -1.262 174.798 176.300 -0.401 0.000 1.259 170 M CA -1.178 53.994 55.300 -0.213 0.000 0.835 170 M CB 1.408 33.949 32.600 -0.099 0.000 1.689 170 M HN -0.002 nan 8.290 nan 0.000 0.470 171 H N 1.551 120.594 119.070 -0.046 0.000 2.476 171 H HA 0.425 -3.224 4.556 -13.675 0.000 0.328 171 H C -0.459 174.839 175.328 -0.051 0.000 1.073 171 H CA -0.105 55.908 56.048 -0.059 0.000 1.229 171 H CB 1.780 31.515 29.762 -0.045 0.000 1.432 171 H HN 0.843 nan 8.280 nan 0.000 0.477 172 T N 0.118 114.648 114.554 -0.041 0.000 2.868 172 T HA 0.066 -3.789 4.350 -13.675 0.000 0.292 172 T C 0.912 175.608 174.700 -0.007 0.000 1.028 172 T CA -0.501 61.546 62.100 -0.088 0.000 1.059 172 T CB 1.835 70.361 68.868 -0.570 0.000 0.991 172 T HN 0.540 nan 8.240 nan 0.000 0.531 173 N N 0.536 119.302 118.700 0.109 0.000 3.419 173 N HA 0.144 -3.321 4.740 -13.675 0.000 0.224 173 N C -0.264 175.245 175.510 -0.002 0.000 1.114 173 N CA 0.216 53.308 53.050 0.069 0.000 1.144 173 N CB 0.674 39.176 38.487 0.026 0.000 1.459 173 N HN 0.816 nan 8.380 nan 0.000 0.632 174 Q N -0.949 118.765 119.800 -0.144 0.000 2.528 174 Q HA 0.518 -3.347 4.340 -13.675 0.000 0.289 174 Q C -1.430 174.375 176.000 -0.325 0.000 1.091 174 Q CA -0.970 54.328 55.803 -0.842 0.000 0.797 174 Q CB 2.859 31.109 28.738 -0.812 0.000 1.466 174 Q HN 0.348 nan 8.270 nan 0.000 0.436 175 F N -1.308 118.222 119.950 -0.700 0.000 2.668 175 F HA 0.814 -2.865 4.527 -13.677 0.000 0.309 175 F C -2.137 173.565 175.800 -0.164 0.000 1.117 175 F CA -1.057 56.777 58.000 -0.278 0.000 0.951 175 F CB 1.294 40.066 39.000 -0.379 0.000 1.323 175 F HN 0.375 nan 8.300 nan 0.000 0.451 176 L N 1.533 122.631 121.223 -0.207 0.000 2.415 176 L HA 0.755 -3.110 4.340 -13.675 0.000 0.256 176 L C 0.390 177.156 176.870 -0.173 0.000 1.010 176 L CA -1.273 53.348 54.840 -0.365 0.000 0.826 176 L CB 2.169 43.861 42.059 -0.611 0.000 1.405 176 L HN 1.066 nan 8.230 nan 0.000 0.410 177 G N -0.456 108.212 108.800 -0.219 0.000 2.664 177 G HA2 0.322 -3.923 3.960 -13.675 0.000 0.242 177 G HA3 0.322 -3.923 3.960 -13.675 0.000 0.242 177 G C 0.801 175.685 174.900 -0.026 0.000 1.225 177 G CA 0.209 45.245 45.100 -0.106 0.000 0.849 177 G HN 0.865 nan 8.290 nan 0.000 0.581 178 G N -0.780 108.065 108.800 0.075 0.000 3.181 178 G HA2 0.562 -3.683 3.960 -13.675 0.000 0.219 178 G HA3 0.562 -3.683 3.960 -13.675 0.000 0.219 178 G C 0.846 175.776 174.900 0.051 0.000 1.182 178 G CA 1.134 46.283 45.100 0.083 0.000 0.791 178 G HN 2.074 nan 8.290 nan 0.000 0.537 179 A N -2.182 120.665 122.820 0.045 0.000 4.772 179 A HA 0.437 -3.449 4.320 -13.675 0.000 0.553 179 A C 1.490 179.121 177.584 0.079 0.000 1.107 179 A CA 0.758 52.822 52.037 0.045 0.000 0.419 179 A CB -1.095 17.912 19.000 0.011 0.000 3.151 179 A HN 2.447 nan 8.150 nan 0.000 0.491 180 G N -2.070 106.781 108.800 0.085 0.000 2.550 180 G HA2 0.221 -4.024 3.960 -13.675 0.000 0.277 180 G HA3 0.221 -4.024 3.960 -13.675 0.000 0.277 180 G C 0.304 175.296 174.900 0.154 0.000 1.190 180 G CA 0.770 45.933 45.100 0.105 0.000 0.971 180 G HN 2.400 nan 8.290 nan 0.000 0.559 181 V N 0.872 120.884 119.914 0.163 0.000 2.487 181 V HA 0.774 -3.311 4.120 -13.675 0.000 0.298 181 V C 0.843 177.044 176.094 0.179 0.000 1.028 181 V CA 0.231 62.639 62.300 0.179 0.000 0.860 181 V CB 0.773 32.692 31.823 0.160 0.000 0.991 181 V HN 1.878 nan 8.190 nan 0.000 0.427 182 A N 5.484 128.412 122.820 0.180 0.000 2.806 182 A HA 1.005 -2.880 4.320 -13.675 0.000 0.254 182 A C -0.285 177.325 177.584 0.043 0.000 1.437 182 A CA -0.608 51.502 52.037 0.123 0.000 0.903 182 A CB 1.053 20.130 19.000 0.128 0.000 1.609 182 A HN 1.095 nan 8.150 nan 0.000 0.505 183 I N -3.203 117.353 120.570 -0.022 0.000 3.074 183 I HA 0.733 -3.302 4.170 -13.675 0.000 0.310 183 I C -1.352 174.720 176.117 -0.075 0.000 1.153 183 I CA -1.109 60.178 61.300 -0.022 0.000 0.993 183 I CB 2.083 40.086 38.000 0.004 0.000 1.237 183 I HN 0.239 nan 8.210 nan 0.000 0.443 184 V N 3.703 123.586 119.914 -0.053 0.000 2.370 184 V HA 0.625 -3.460 4.120 -13.675 0.000 0.279 184 V C 0.910 176.969 176.094 -0.057 0.000 1.029 184 V CA -0.270 61.986 62.300 -0.075 0.000 0.870 184 V CB 0.865 32.654 31.823 -0.056 0.000 0.984 184 V HN 0.941 nan 8.190 nan 0.000 0.451 185 A N 3.999 126.775 122.820 -0.074 0.000 2.327 185 A HA 0.398 -3.487 4.320 -13.675 0.000 0.255 185 A C 1.561 179.107 177.584 -0.063 0.000 1.099 185 A CA 0.363 52.360 52.037 -0.068 0.000 0.801 185 A CB 0.242 19.187 19.000 -0.092 0.000 1.062 185 A HN 1.146 nan 8.150 nan 0.000 0.496 186 S N 0.028 115.692 115.700 -0.059 0.000 2.474 186 S HA -0.146 -3.881 4.470 -13.675 0.000 0.235 186 S C 0.939 175.504 174.600 -0.057 0.000 0.997 186 S CA 1.111 59.279 58.200 -0.054 0.000 0.949 186 S CB -0.529 62.639 63.200 -0.053 0.000 0.766 186 S HN 0.888 nan 8.310 nan 0.000 0.517 187 N N 0.969 119.628 118.700 -0.068 0.000 2.322 187 N HA 0.273 -3.192 4.740 -13.675 0.000 0.194 187 N C 1.199 176.665 175.510 -0.074 0.000 1.126 187 N CA 0.570 53.579 53.050 -0.068 0.000 0.845 187 N CB -0.280 38.163 38.487 -0.074 0.000 0.976 187 N HN 0.545 nan 8.380 nan 0.000 0.475 188 G N -0.410 108.343 108.800 -0.078 0.000 2.217 188 G HA2 -0.293 -4.538 3.960 -13.675 0.000 0.246 188 G HA3 -0.293 -4.538 3.960 -13.675 0.000 0.246 188 G C -0.286 174.539 174.900 -0.124 0.000 0.990 188 G CA -0.149 44.898 45.100 -0.089 0.000 0.627 188 G HN 0.465 nan 8.290 nan 0.000 0.522 189 N N 0.787 119.412 118.700 -0.125 0.000 2.458 189 N HA 0.375 -3.091 4.740 -13.675 0.000 0.258 189 N C 0.783 176.186 175.510 -0.179 0.000 1.219 189 N CA 0.104 53.064 53.050 -0.150 0.000 0.902 189 N CB 0.457 38.878 38.487 -0.110 0.000 1.076 189 N HN 0.405 nan 8.380 nan 0.000 0.455 190 L N 1.663 122.723 121.223 -0.271 0.000 2.410 190 L HA 0.222 -3.643 4.340 -13.675 0.000 0.273 190 L C -0.221 176.566 176.870 -0.137 0.000 1.144 190 L CA -0.367 54.307 54.840 -0.276 0.000 0.863 190 L CB 0.374 42.191 42.059 -0.404 0.000 1.140 190 L HN 0.102 nan 8.230 nan 0.000 0.463 191 V N 4.366 124.210 119.914 -0.116 0.000 2.409 191 V HA 0.322 -3.764 4.120 -13.675 0.000 0.290 191 V C -0.805 175.295 176.094 0.010 0.000 1.017 191 V CA -0.580 61.737 62.300 0.027 0.000 0.841 191 V CB 1.274 33.103 31.823 0.009 0.000 1.003 191 V HN 0.417 nan 8.190 nan 0.000 0.426 192 Y N 6.476 126.965 120.300 0.315 0.000 2.331 192 Y HA 0.468 -3.188 4.550 -13.677 0.000 0.338 192 Y C -2.087 173.999 175.900 0.310 0.000 0.976 192 Y CA -2.650 55.630 58.100 0.301 0.000 1.137 192 Y CB 2.368 41.036 38.460 0.347 0.000 1.172 192 Y HN 0.428 nan 8.280 nan 0.000 0.478 193 P HA 0.132 nan 4.420 nan 0.000 0.281 193 P C -0.882 176.634 177.300 0.361 0.000 1.252 193 P CA -0.085 63.241 63.100 0.376 0.000 0.778 193 P CB 1.523 33.408 31.700 0.309 0.000 0.895 194 V N 1.440 121.567 119.914 0.355 0.000 2.864 194 V HA 0.617 -3.468 4.120 -13.675 0.000 0.314 194 V C -0.400 175.833 176.094 0.233 0.000 1.073 194 V CA -1.121 61.343 62.300 0.273 0.000 0.956 194 V CB 1.814 33.803 31.823 0.276 0.000 1.023 194 V HN 0.583 nan 8.190 nan 0.000 0.435 195 Q N 1.916 121.827 119.800 0.185 0.000 2.271 195 Q HA 0.835 -3.030 4.340 -13.675 0.000 0.258 195 Q C -1.287 174.829 176.000 0.195 0.000 0.936 195 Q CA -0.788 55.123 55.803 0.181 0.000 0.909 195 Q CB 2.083 30.986 28.738 0.274 0.000 1.253 195 Q HN 0.638 nan 8.270 nan 0.000 0.440 196 V N 1.707 121.564 119.914 -0.096 0.000 2.735 196 V HA 0.582 -3.503 4.120 -13.675 0.000 0.310 196 V C -0.063 175.785 176.094 -0.411 0.000 1.061 196 V CA -0.707 61.431 62.300 -0.272 0.000 0.913 196 V CB 1.983 33.405 31.823 -0.668 0.000 1.005 196 V HN 1.026 nan 8.190 nan 0.000 0.428 197 T N 0.374 114.860 114.554 -0.113 0.000 2.918 197 T HA 0.678 -3.177 4.350 -13.675 0.000 0.286 197 T C -0.448 174.324 174.700 0.119 0.000 1.026 197 T CA -0.841 61.210 62.100 -0.081 0.000 1.031 197 T CB 1.948 70.673 68.868 -0.239 0.000 1.046 197 T HN 0.783 nan 8.240 nan 0.000 0.479 198 N N 0.424 119.235 118.700 0.184 0.000 2.671 198 N HA 0.398 -3.068 4.740 -13.675 0.000 0.303 198 N C 0.566 176.107 175.510 0.050 0.000 1.277 198 N CA -1.193 51.951 53.050 0.156 0.000 0.933 198 N CB 0.573 39.173 38.487 0.188 0.000 1.190 198 N HN 0.367 nan 8.380 nan 0.000 0.600 199 K N -0.067 120.364 120.400 0.052 0.000 2.439 199 K HA 0.043 -3.842 4.320 -13.675 0.000 0.197 199 K C 0.466 177.059 176.600 -0.012 0.000 1.041 199 K CA 0.658 56.959 56.287 0.024 0.000 0.970 199 K CB -0.125 32.398 32.500 0.038 0.000 0.773 199 K HN 0.585 nan 8.250 nan 0.000 0.479 200 K N 0.711 121.090 120.400 -0.035 0.000 2.444 200 K HA 0.047 -3.838 4.320 -13.675 0.000 0.193 200 K C -0.043 176.502 176.600 -0.092 0.000 1.024 200 K CA 0.046 56.288 56.287 -0.075 0.000 1.077 200 K CB 0.173 32.599 32.500 -0.123 0.000 0.833 200 K HN 0.039 nan 8.250 nan 0.000 0.517 201 K N 0.404 120.756 120.400 -0.080 0.000 3.281 201 K HA -0.221 -4.106 4.320 -13.675 0.000 0.295 201 K C -0.727 175.799 176.600 -0.124 0.000 1.233 201 K CA 0.702 56.923 56.287 -0.110 0.000 0.866 201 K CB -1.704 30.735 32.500 -0.101 0.000 1.265 201 K HN 0.355 nan 8.250 nan 0.000 0.482 202 Q N 0.723 120.456 119.800 -0.112 0.000 2.340 202 Q HA 0.451 -3.414 4.340 -13.675 0.000 0.249 202 Q C -0.123 175.934 176.000 0.095 0.000 0.957 202 Q CA -0.361 55.393 55.803 -0.080 0.000 0.882 202 Q CB 2.076 30.597 28.738 -0.362 0.000 1.235 202 Q HN 0.126 nan 8.270 nan 0.000 0.439 203 V N 3.783 123.793 119.914 0.159 0.000 2.667 203 V HA 0.778 -3.307 4.120 -13.675 0.000 0.308 203 V C -1.291 175.055 176.094 0.420 0.000 1.048 203 V CA -0.398 61.990 62.300 0.147 0.000 0.928 203 V CB 0.894 32.731 31.823 0.024 0.000 1.004 203 V HN 0.714 nan 8.190 nan 0.000 0.444 204 F N 2.153 122.216 119.950 0.189 0.000 2.713 204 F HA 0.786 -2.893 4.527 -13.677 0.000 0.311 204 F C -0.620 175.234 175.800 0.091 0.000 1.141 204 F CA -0.872 57.183 58.000 0.092 0.000 0.939 204 F CB 1.284 40.264 39.000 -0.034 0.000 1.325 204 F HN 0.282 nan 8.300 nan 0.000 0.453 205 S N 1.460 117.234 115.700 0.124 0.000 2.549 205 S HA 0.732 -3.003 4.470 -13.675 0.000 0.297 205 S C -0.837 173.845 174.600 0.136 0.000 1.115 205 S CA -0.899 57.394 58.200 0.155 0.000 1.059 205 S CB 1.520 64.904 63.200 0.308 0.000 1.046 205 S HN 0.464 nan 8.310 nan 0.000 0.506 206 K N 1.124 121.750 120.400 0.377 0.000 2.466 206 K HA 0.525 -3.360 4.320 -13.675 0.000 0.260 206 K C -1.281 175.738 176.600 0.698 0.000 1.011 206 K CA -0.785 55.841 56.287 0.564 0.000 0.871 206 K CB 1.331 34.169 32.500 0.564 0.000 1.404 206 K HN 0.361 nan 8.250 nan 0.000 0.450 207 I N 1.699 122.706 120.570 0.728 0.000 2.336 207 I HA 0.359 -3.676 4.170 -13.675 0.000 0.292 207 I C -0.552 175.890 176.117 0.543 0.000 0.991 207 I CA -0.681 60.940 61.300 0.534 0.000 1.227 207 I CB 0.509 38.733 38.000 0.373 0.000 1.366 207 I HN 0.476 nan 8.210 nan 0.000 0.466 208 F N 9.395 129.492 119.950 0.246 0.000 2.460 208 F HA 0.550 -3.129 4.527 -13.677 0.000 0.341 208 F C -1.051 174.984 175.800 0.392 0.000 1.130 208 F CA -0.595 57.404 58.000 -0.000 0.000 0.962 208 F CB 0.885 39.751 39.000 -0.224 0.000 1.171 208 F HN 0.431 nan 8.300 nan 0.000 0.436 209 Y N 2.270 122.482 120.300 -0.146 0.000 2.609 209 Y HA 0.757 -2.898 4.550 -13.675 0.000 0.342 209 Y C -1.412 174.129 175.900 -0.598 0.000 1.058 209 Y CA -1.668 56.328 58.100 -0.173 0.000 1.055 209 Y CB 1.455 39.837 38.460 -0.129 0.000 1.292 209 Y HN 0.365 nan 8.280 nan 0.000 0.476 210 S N 0.318 115.535 115.700 -0.804 0.000 2.557 210 S HA 0.387 -3.348 4.470 -13.675 0.000 0.291 210 S C -0.497 173.762 174.600 -0.570 0.000 1.116 210 S CA -0.634 56.878 58.200 -1.147 0.000 0.992 210 S CB 1.285 63.240 63.200 -2.074 0.000 1.028 210 S HN 0.849 nan 8.310 nan 0.000 0.484 211 E N 1.695 121.637 120.200 -0.430 0.000 2.474 211 E HA 0.078 -3.777 4.350 -13.675 0.000 0.195 211 E C -0.526 175.928 176.600 -0.243 0.000 1.039 211 E CA 0.164 56.421 56.400 -0.239 0.000 0.881 211 E CB 0.283 29.901 29.700 -0.138 0.000 0.970 211 E HN 0.704 nan 8.360 nan 0.000 0.486 212 D N -0.126 120.078 120.400 -0.327 0.000 2.908 212 D HA 0.023 -3.542 4.640 -13.675 0.000 0.361 212 D C -0.436 175.726 176.300 -0.230 0.000 1.416 212 D CA -0.359 53.502 54.000 -0.232 0.000 0.796 212 D CB 0.026 40.709 40.800 -0.196 0.000 1.185 212 D HN -0.184 nan 8.370 nan 0.000 0.451 213 E N -0.233 119.805 120.200 -0.271 0.000 2.868 213 E HA -0.173 -4.029 4.350 -13.675 0.000 0.278 213 E C 1.157 177.662 176.600 -0.159 0.000 1.009 213 E CA 1.032 57.315 56.400 -0.195 0.000 0.856 213 E CB -2.170 27.508 29.700 -0.037 0.000 1.428 213 E HN 0.933 nan 8.360 nan 0.000 0.423 214 G N -0.619 107.951 108.800 -0.384 0.000 2.175 214 G HA2 -0.370 -4.615 3.960 -13.675 0.000 0.244 214 G HA3 -0.370 -4.615 3.960 -13.675 0.000 0.244 214 G C 0.985 175.900 174.900 0.024 0.000 0.982 214 G CA 0.585 45.581 45.100 -0.173 0.000 0.641 214 G HN 0.191 nan 8.290 nan 0.000 0.527 215 K N 0.606 120.935 120.400 -0.119 0.000 2.031 215 K HA 0.103 -3.782 4.320 -13.675 0.000 0.205 215 K C 1.638 178.207 176.600 -0.051 0.000 1.049 215 K CA 1.836 58.128 56.287 0.008 0.000 0.939 215 K CB -0.670 31.828 32.500 -0.003 0.000 0.717 215 K HN 0.938 nan 8.250 nan 0.000 0.438 216 T N -2.747 111.547 114.554 -0.433 0.000 2.916 216 T HA 0.615 -3.240 4.350 -13.675 0.000 0.292 216 T C -1.163 172.787 174.700 -1.250 0.000 1.055 216 T CA -0.950 60.678 62.100 -0.787 0.000 1.009 216 T CB 1.595 70.245 68.868 -0.363 0.000 1.118 216 T HN 0.114 nan 8.240 nan 0.000 0.497 217 W N 0.346 120.807 121.300 -1.400 0.000 3.032 217 W HA 0.703 -2.843 4.660 -13.677 0.000 0.335 217 W C -0.432 175.652 176.519 -0.724 0.000 1.154 217 W CA -0.818 55.874 57.345 -1.087 0.000 1.204 217 W CB 2.209 30.917 29.460 -1.254 0.000 1.416 217 W HN 0.680 nan 8.180 nan 0.000 0.521 218 K N 1.417 121.432 120.400 -0.642 0.000 2.435 218 K HA 0.627 -3.258 4.320 -13.675 0.000 0.251 218 K C -1.505 174.891 176.600 -0.339 0.000 0.954 218 K CA -1.059 54.970 56.287 -0.430 0.000 0.820 218 K CB 2.237 34.300 32.500 -0.728 0.000 1.292 218 K HN 0.187 nan 8.250 nan 0.000 0.436 219 F N 0.660 120.702 119.950 0.152 0.000 2.421 219 F HA 0.319 -3.360 4.527 -13.677 0.000 0.337 219 F C 1.235 177.259 175.800 0.373 0.000 1.105 219 F CA -0.224 57.974 58.000 0.331 0.000 1.049 219 F CB 1.502 40.686 39.000 0.307 0.000 1.139 219 F HN 0.608 nan 8.300 nan 0.000 0.479 220 G N 2.696 111.893 108.800 0.662 0.000 2.491 220 G HA2 0.069 -4.176 3.960 -13.675 0.000 0.238 220 G HA3 0.069 -4.176 3.960 -13.675 0.000 0.238 220 G C 0.626 175.785 174.900 0.431 0.000 1.277 220 G CA -0.481 44.939 45.100 0.533 0.000 0.851 220 G HN 0.799 nan 8.290 nan 0.000 0.573 221 K N 1.229 121.815 120.400 0.310 0.000 2.211 221 K HA -0.012 -3.897 4.320 -13.675 0.000 0.203 221 K C 1.746 178.421 176.600 0.126 0.000 1.050 221 K CA 0.733 57.138 56.287 0.197 0.000 0.945 221 K CB 0.057 32.643 32.500 0.143 0.000 0.732 221 K HN 0.504 nan 8.250 nan 0.000 0.451 222 G N 1.367 110.275 108.800 0.180 0.000 2.557 222 G HA2 0.402 -3.843 3.960 -13.675 0.000 0.292 222 G HA3 0.402 -3.843 3.960 -13.675 0.000 0.292 222 G C -0.529 174.066 174.900 -0.508 0.000 1.237 222 G CA -0.594 44.471 45.100 -0.060 0.000 0.978 222 G HN 0.277 nan 8.290 nan 0.000 0.498 223 R N -2.073 117.746 120.500 -1.135 0.000 2.733 223 R HA 0.596 -3.269 4.340 -13.675 0.000 0.272 223 R C -0.087 175.198 176.300 -1.692 0.000 1.029 223 R CA -0.459 54.751 56.100 -1.484 0.000 0.888 223 R CB 0.690 30.580 30.300 -0.683 0.000 1.251 223 R HN 0.736 nan 8.270 nan 0.000 0.464 224 S N 0.791 115.567 115.700 -1.540 0.000 2.617 224 S HA 0.497 -3.238 4.470 -13.675 0.000 0.255 224 S C 0.702 174.982 174.600 -0.534 0.000 1.318 224 S CA -0.336 57.280 58.200 -0.972 0.000 0.978 224 S CB 0.543 63.474 63.200 -0.448 0.000 0.961 224 S HN 0.865 nan 8.310 nan 0.000 0.582 225 A N 0.277 122.971 122.820 -0.211 0.000 2.466 225 A HA 0.437 -3.448 4.320 -13.675 0.000 0.238 225 A C 0.076 177.590 177.584 -0.118 0.000 1.074 225 A CA -0.504 51.446 52.037 -0.146 0.000 0.774 225 A CB -0.713 18.342 19.000 0.092 0.000 1.015 225 A HN 0.664 nan 8.150 nan 0.000 0.498 226 F N 0.406 120.383 119.950 0.044 0.000 2.553 226 F HA 0.371 -3.307 4.527 -13.675 0.000 0.356 226 F C 1.741 177.608 175.800 0.111 0.000 1.142 226 F CA 1.510 59.566 58.000 0.094 0.000 1.322 226 F CB 0.523 39.551 39.000 0.048 0.000 1.126 226 F HN 0.932 nan 8.300 nan 0.000 0.599 227 G N 0.524 109.527 108.800 0.338 0.000 2.213 227 G HA2 -0.278 -4.523 3.960 -13.675 0.000 0.236 227 G HA3 -0.278 -4.523 3.960 -13.675 0.000 0.236 227 G C -0.289 174.736 174.900 0.208 0.000 0.991 227 G CA -0.307 44.930 45.100 0.229 0.000 0.629 227 G HN 0.734 nan 8.290 nan 0.000 0.517 228 C N 3.175 122.610 119.300 0.224 0.000 2.322 228 C HA 0.712 -3.033 4.460 -13.675 0.000 0.343 228 C C 1.212 176.333 174.990 0.218 0.000 1.190 228 C CA 0.055 59.208 59.018 0.225 0.000 1.704 228 C CB -0.577 27.320 27.740 0.262 0.000 2.293 228 C HN 0.842 nan 8.230 nan 0.000 0.523 229 S N 1.301 117.125 115.700 0.207 0.000 2.766 229 S HA 0.581 -3.154 4.470 -13.675 0.000 0.307 229 S C -0.179 174.543 174.600 0.204 0.000 1.121 229 S CA -0.552 57.778 58.200 0.218 0.000 0.980 229 S CB 0.475 63.815 63.200 0.233 0.000 1.159 229 S HN 0.771 nan 8.310 nan 0.000 0.546 230 E N 1.415 121.735 120.200 0.201 0.000 2.106 230 E HA -0.138 -3.993 4.350 -13.675 0.000 0.175 230 E C -2.185 174.502 176.600 0.145 0.000 1.448 230 E CA 0.050 56.535 56.400 0.142 0.000 0.672 230 E CB -0.780 28.976 29.700 0.092 0.000 1.057 230 E HN 0.494 nan 8.360 nan 0.000 0.321 231 P HA 0.174 nan 4.420 nan 0.000 0.276 231 P C -0.743 176.684 177.300 0.212 0.000 1.244 231 P CA -0.316 62.918 63.100 0.223 0.000 0.801 231 P CB 1.687 33.563 31.700 0.294 0.000 1.006 232 V N 0.707 120.759 119.914 0.231 0.000 2.841 232 V HA 0.779 -3.306 4.120 -13.675 0.000 0.310 232 V C -1.179 175.135 176.094 0.366 0.000 1.090 232 V CA -0.752 61.711 62.300 0.272 0.000 0.930 232 V CB 1.677 33.657 31.823 0.260 0.000 1.014 232 V HN 0.875 nan 8.190 nan 0.000 0.425 233 A N 5.861 128.879 122.820 0.329 0.000 2.498 233 A HA 0.997 -2.889 4.320 -13.675 0.000 0.298 233 A C -1.372 176.316 177.584 0.173 0.000 1.075 233 A CA -0.563 51.647 52.037 0.288 0.000 0.714 233 A CB 1.832 20.942 19.000 0.183 0.000 1.299 233 A HN 1.746 nan 8.150 nan 0.000 0.407 234 L N -1.615 119.660 121.223 0.086 0.000 2.341 234 L HA 0.856 -3.009 4.340 -13.675 0.000 0.254 234 L C -0.436 176.458 176.870 0.041 0.000 1.040 234 L CA -0.643 54.188 54.840 -0.015 0.000 0.837 234 L CB 1.524 43.451 42.059 -0.220 0.000 1.425 234 L HN 0.742 nan 8.230 nan 0.000 0.414 235 E N 0.813 121.045 120.200 0.053 0.000 2.191 235 E HA 0.331 -3.524 4.350 -13.675 0.000 0.278 235 E C -2.016 174.692 176.600 0.180 0.000 0.972 235 E CA -0.720 55.727 56.400 0.079 0.000 0.804 235 E CB 1.407 31.120 29.700 0.021 0.000 1.110 235 E HN 0.702 nan 8.360 nan 0.000 0.394 236 W N 5.484 126.763 121.300 -0.035 0.000 2.884 236 W HA 0.181 -3.346 4.660 -13.645 0.000 0.336 236 W C -0.991 175.518 176.519 -0.017 0.000 1.038 236 W CA -0.475 56.858 57.345 -0.021 0.000 1.247 236 W CB 0.907 30.362 29.460 -0.009 0.000 1.351 236 W HN 0.821 nan 8.180 nan 0.000 0.446 237 E N 3.386 123.365 120.200 -0.368 0.000 2.269 237 E HA -0.227 -4.082 4.350 -13.675 0.000 0.223 237 E C 1.039 177.588 176.600 -0.084 0.000 1.244 237 E CA 1.248 57.484 56.400 -0.273 0.000 0.713 237 E CB -1.263 28.252 29.700 -0.309 0.000 1.178 237 E HN 0.995 nan 8.360 nan 0.000 0.370 238 G N -0.278 108.484 108.800 -0.064 0.000 2.176 238 G HA2 -0.343 -4.588 3.960 -13.675 0.000 0.253 238 G HA3 -0.343 -4.588 3.960 -13.675 0.000 0.253 238 G C 0.105 174.995 174.900 -0.017 0.000 0.979 238 G CA 0.722 45.797 45.100 -0.041 0.000 0.641 238 G HN 0.286 nan 8.290 nan 0.000 0.530 239 K N -0.303 120.111 120.400 0.023 0.000 2.328 239 K HA 0.717 -3.168 4.320 -13.675 0.000 0.246 239 K C 0.106 176.726 176.600 0.032 0.000 0.955 239 K CA -1.012 55.289 56.287 0.023 0.000 0.817 239 K CB 2.020 34.554 32.500 0.057 0.000 1.208 239 K HN 0.091 nan 8.250 nan 0.000 0.432 240 L N 3.208 124.416 121.223 -0.024 0.000 2.367 240 L HA 0.341 -3.524 4.340 -13.675 0.000 0.275 240 L C -0.181 176.692 176.870 0.005 0.000 1.129 240 L CA -0.315 54.511 54.840 -0.023 0.000 0.839 240 L CB 0.269 42.264 42.059 -0.106 0.000 1.133 240 L HN 0.407 nan 8.230 nan 0.000 0.453 241 I N 5.048 125.670 120.570 0.088 0.000 2.354 241 I HA 0.340 -3.696 4.170 -13.675 0.000 0.286 241 I C -0.440 175.821 176.117 0.241 0.000 1.007 241 I CA -0.315 61.083 61.300 0.162 0.000 1.167 241 I CB 1.425 39.560 38.000 0.226 0.000 1.320 241 I HN 0.447 nan 8.210 nan 0.000 0.458 242 I N 6.302 126.969 120.570 0.161 0.000 2.354 242 I HA 0.281 -3.754 4.170 -13.675 0.000 0.286 242 I C -0.089 176.166 176.117 0.231 0.000 1.007 242 I CA -0.315 61.092 61.300 0.179 0.000 1.167 242 I CB 1.145 39.144 38.000 -0.002 0.000 1.320 242 I HN 0.478 nan 8.210 nan 0.000 0.458 243 N N 5.257 124.062 118.700 0.174 0.000 2.444 243 N HA 0.336 -3.129 4.740 -13.675 0.000 0.262 243 N C -0.739 174.831 175.510 0.100 0.000 0.974 243 N CA -0.253 52.786 53.050 -0.019 0.000 0.933 243 N CB 1.427 39.613 38.487 -0.502 0.000 1.137 243 N HN 0.676 nan 8.380 nan 0.000 0.498 244 T N 0.375 115.017 114.554 0.148 0.000 2.888 244 T HA 0.451 -3.404 4.350 -13.675 0.000 0.284 244 T C 0.252 175.046 174.700 0.156 0.000 1.017 244 T CA -0.953 61.269 62.100 0.203 0.000 1.022 244 T CB 1.743 70.793 68.868 0.303 0.000 1.013 244 T HN 0.486 nan 8.240 nan 0.000 0.465 245 R N 1.580 122.177 120.500 0.162 0.000 2.390 245 R HA 0.558 -3.308 4.340 -13.675 0.000 0.291 245 R C -1.395 174.989 176.300 0.141 0.000 1.070 245 R CA -0.539 55.650 56.100 0.149 0.000 1.014 245 R CB 0.490 30.873 30.300 0.139 0.000 1.007 245 R HN 0.584 nan 8.270 nan 0.000 0.466 246 V N 4.679 124.658 119.914 0.107 0.000 2.419 246 V HA 0.135 -3.950 4.120 -13.675 0.000 0.287 246 V C -0.874 175.246 176.094 0.043 0.000 1.017 246 V CA -1.053 61.306 62.300 0.098 0.000 0.844 246 V CB 1.465 33.345 31.823 0.095 0.000 1.011 246 V HN 0.830 nan 8.190 nan 0.000 0.429 247 D N 3.784 124.195 120.400 0.019 0.000 2.458 247 D HA 0.198 -3.367 4.640 -13.675 0.000 0.243 247 D C 0.490 176.728 176.300 -0.103 0.000 1.146 247 D CA 0.762 54.643 54.000 -0.199 0.000 0.877 247 D CB 0.282 40.949 40.800 -0.222 0.000 1.176 247 D HN 0.686 nan 8.370 nan 0.000 0.461 248 Y N -0.514 119.784 120.300 -0.004 0.000 4.729 248 Y HA -0.320 -3.972 4.550 -13.670 0.000 0.239 248 Y C 0.782 176.682 175.900 -0.001 0.000 1.043 248 Y CA 0.618 58.709 58.100 -0.015 0.000 2.045 248 Y CB -1.098 37.352 38.460 -0.017 0.000 1.599 248 Y HN 0.337 nan 8.280 nan 0.000 0.655 249 R N -0.354 120.190 120.500 0.075 0.000 2.766 249 R HA 0.548 -3.317 4.340 -13.675 0.000 0.270 249 R C -0.290 176.012 176.300 0.003 0.000 1.035 249 R CA -1.277 54.852 56.100 0.048 0.000 0.911 249 R CB 1.024 31.362 30.300 0.064 0.000 1.243 249 R HN 0.094 nan 8.270 nan 0.000 0.460 250 R N 1.310 121.793 120.500 -0.027 0.000 2.594 250 R HA 0.221 -3.644 4.340 -13.675 0.000 0.272 250 R C 0.130 176.391 176.300 -0.065 0.000 1.074 250 R CA -0.267 55.788 56.100 -0.074 0.000 1.105 250 R CB 0.504 30.722 30.300 -0.137 0.000 1.008 250 R HN 0.218 nan 8.270 nan 0.000 0.472 251 R N 2.423 122.881 120.500 -0.070 0.000 2.449 251 R HA 0.064 -3.801 4.340 -13.675 0.000 0.296 251 R C -0.126 176.120 176.300 -0.089 0.000 1.047 251 R CA 0.058 56.135 56.100 -0.038 0.000 1.018 251 R CB 0.219 30.511 30.300 -0.014 0.000 0.962 251 R HN 0.328 nan 8.270 nan 0.000 0.428 252 L N 3.460 124.655 121.223 -0.047 0.000 2.326 252 L HA 0.396 -3.469 4.340 -13.675 0.000 0.278 252 L C -0.196 176.596 176.870 -0.131 0.000 1.092 252 L CA -0.752 54.005 54.840 -0.139 0.000 0.810 252 L CB 1.410 43.416 42.059 -0.089 0.000 1.153 252 L HN 0.293 nan 8.230 nan 0.000 0.439 253 V N 2.806 122.543 119.914 -0.295 0.000 2.656 253 V HA 0.471 -3.614 4.120 -13.675 0.000 0.307 253 V C -0.954 174.959 176.094 -0.301 0.000 1.051 253 V CA -0.685 61.513 62.300 -0.170 0.000 0.893 253 V CB 1.828 33.563 31.823 -0.147 0.000 0.999 253 V HN 0.436 nan 8.190 nan 0.000 0.426 254 Y N 1.300 121.638 120.300 0.064 0.000 2.562 254 Y HA 0.628 -3.024 4.550 -13.669 0.000 0.343 254 Y C 0.261 176.140 175.900 -0.036 0.000 1.025 254 Y CA -0.871 57.265 58.100 0.061 0.000 1.082 254 Y CB 1.982 40.562 38.460 0.200 0.000 1.264 254 Y HN 0.563 nan 8.280 nan 0.000 0.478 255 E N 0.493 120.767 120.200 0.123 0.000 2.227 255 E HA 0.605 -3.250 4.350 -13.675 0.000 0.268 255 E C -1.295 175.263 176.600 -0.070 0.000 0.907 255 E CA -0.941 55.468 56.400 0.015 0.000 0.786 255 E CB 2.280 32.003 29.700 0.038 0.000 1.191 255 E HN 0.371 nan 8.360 nan 0.000 0.411 256 S N 0.660 116.272 115.700 -0.148 0.000 2.677 256 S HA 0.221 -3.514 4.470 -13.675 0.000 0.283 256 S C -0.257 174.280 174.600 -0.105 0.000 1.159 256 S CA -0.576 57.515 58.200 -0.182 0.000 1.001 256 S CB 1.263 64.207 63.200 -0.427 0.000 1.032 256 S HN 0.379 nan 8.310 nan 0.000 0.487 257 S N 2.545 118.213 115.700 -0.053 0.000 2.575 257 S HA 0.093 -3.642 4.470 -13.675 0.000 0.215 257 S C 0.096 174.665 174.600 -0.052 0.000 0.966 257 S CA 0.100 58.276 58.200 -0.040 0.000 0.911 257 S CB -0.117 63.074 63.200 -0.014 0.000 0.780 257 S HN 0.862 nan 8.310 nan 0.000 0.514 258 D N -0.469 119.896 120.400 -0.060 0.000 2.908 258 D HA 0.270 -3.295 4.640 -13.675 0.000 0.361 258 D C 0.237 176.482 176.300 -0.090 0.000 1.416 258 D CA -0.534 53.434 54.000 -0.053 0.000 0.796 258 D CB -0.202 40.596 40.800 -0.003 0.000 1.185 258 D HN -0.165 nan 8.370 nan 0.000 0.451 259 M N 0.957 120.455 119.600 -0.170 0.000 2.461 259 M HA -0.111 -3.837 4.480 -13.675 0.000 0.203 259 M C 1.135 177.359 176.300 -0.126 0.000 0.428 259 M CA 0.868 55.990 55.300 -0.297 0.000 0.509 259 M CB -1.877 30.361 32.600 -0.604 0.000 1.851 259 M HN 0.992 nan 8.290 nan 0.000 0.834 260 G N -0.928 107.844 108.800 -0.048 0.000 2.159 260 G HA2 -0.360 -4.605 3.960 -13.675 0.000 0.256 260 G HA3 -0.360 -4.605 3.960 -13.675 0.000 0.256 260 G C 0.757 175.901 174.900 0.407 0.000 0.977 260 G CA 0.542 45.743 45.100 0.168 0.000 0.652 260 G HN 0.549 nan 8.290 nan 0.000 0.531 261 N N 0.233 119.073 118.700 0.233 0.000 2.188 261 N HA 0.044 -3.421 4.740 -13.675 0.000 0.184 261 N C 0.809 176.479 175.510 0.267 0.000 1.018 261 N CA 1.705 54.895 53.050 0.234 0.000 0.858 261 N CB 0.007 38.583 38.487 0.147 0.000 0.989 261 N HN 0.525 nan 8.380 nan 0.000 0.426 262 T N 0.195 114.907 114.554 0.264 0.000 2.848 262 T HA 0.386 -3.469 4.350 -13.675 0.000 0.285 262 T C -1.182 173.726 174.700 0.347 0.000 0.995 262 T CA -0.550 61.709 62.100 0.265 0.000 0.970 262 T CB 1.346 70.296 68.868 0.138 0.000 0.976 262 T HN 0.030 nan 8.240 nan 0.000 0.441 263 W N 2.916 124.235 121.300 0.030 0.000 2.600 263 W HA 0.704 -2.844 4.660 -13.679 0.000 0.325 263 W C -1.038 175.559 176.519 0.131 0.000 1.034 263 W CA -1.082 56.296 57.345 0.055 0.000 1.226 263 W CB 0.876 30.285 29.460 -0.084 0.000 1.379 263 W HN 0.370 nan 8.180 nan 0.000 0.466 264 L N 2.333 123.770 121.223 0.358 0.000 2.362 264 L HA 0.387 -3.478 4.340 -13.675 0.000 0.275 264 L C 0.362 177.400 176.870 0.279 0.000 0.998 264 L CA -1.159 53.849 54.840 0.279 0.000 0.820 264 L CB 1.985 44.129 42.059 0.141 0.000 1.270 264 L HN 0.384 nan 8.230 nan 0.000 0.415 265 E N 2.015 122.327 120.200 0.187 0.000 2.415 265 E HA 0.126 -3.729 4.350 -13.675 0.000 0.263 265 E C 0.169 176.689 176.600 -0.134 0.000 0.995 265 E CA -0.249 56.066 56.400 -0.142 0.000 0.915 265 E CB 1.186 30.756 29.700 -0.217 0.000 0.951 265 E HN 0.705 nan 8.360 nan 0.000 0.449 266 A N 5.139 127.852 122.820 -0.178 0.000 3.074 266 A HA 0.074 -3.811 4.320 -13.675 0.000 0.251 266 A C 1.301 178.782 177.584 -0.170 0.000 1.695 266 A CA 0.072 52.031 52.037 -0.130 0.000 1.343 266 A CB -0.923 18.016 19.000 -0.101 0.000 1.078 266 A HN 0.603 nan 8.150 nan 0.000 0.644 267 V N -1.911 117.867 119.914 -0.227 0.000 2.594 267 V HA -0.086 -4.171 4.120 -13.675 0.000 0.253 267 V C 1.737 177.733 176.094 -0.164 0.000 1.069 267 V CA 2.186 64.279 62.300 -0.345 0.000 1.082 267 V CB -0.946 30.349 31.823 -0.879 0.000 0.680 267 V HN 0.511 nan 8.190 nan 0.000 0.469 268 G N -0.239 108.508 108.800 -0.089 0.000 2.985 268 G HA2 0.244 -4.001 3.960 -13.675 0.000 0.209 268 G HA3 0.244 -4.001 3.960 -13.675 0.000 0.209 268 G C 1.052 175.948 174.900 -0.007 0.000 1.165 268 G CA 1.063 46.172 45.100 0.015 0.000 0.776 268 G HN 0.728 nan 8.290 nan 0.000 0.541 269 T N -2.633 111.900 114.554 -0.034 0.000 3.451 269 T HA 0.211 -3.644 4.350 -13.675 0.000 0.201 269 T C 1.721 176.347 174.700 -0.123 0.000 0.965 269 T CA -0.084 61.964 62.100 -0.085 0.000 1.088 269 T CB 0.071 68.867 68.868 -0.120 0.000 1.251 269 T HN -0.028 nan 8.240 nan 0.000 0.325 270 L N 0.994 122.105 121.223 -0.186 0.000 2.672 270 L HA 0.446 -3.419 4.340 -13.675 0.000 0.236 270 L C 1.157 177.802 176.870 -0.374 0.000 1.092 270 L CA -0.225 54.415 54.840 -0.334 0.000 0.887 270 L CB 0.488 42.410 42.059 -0.229 0.000 1.168 270 L HN 0.289 nan 8.230 nan 0.000 0.502 271 S N 0.843 116.379 115.700 -0.273 0.000 2.549 271 S HA 0.144 -3.592 4.470 -13.675 0.000 0.286 271 S C 0.956 175.320 174.600 -0.393 0.000 1.314 271 S CA 0.059 58.075 58.200 -0.307 0.000 1.062 271 S CB 0.077 63.097 63.200 -0.300 0.000 0.865 271 S HN 0.432 nan 8.310 nan 0.000 0.498 272 R N 1.367 121.615 120.500 -0.420 0.000 3.954 272 R HA -0.162 -4.027 4.340 -13.675 0.000 0.422 272 R C 0.942 176.893 176.300 -0.582 0.000 1.091 272 R CA 0.880 56.653 56.100 -0.545 0.000 1.168 272 R CB -2.720 27.071 30.300 -0.848 0.000 1.752 272 R HN 0.488 nan 8.270 nan 0.000 0.547 273 V N -0.235 119.313 119.914 -0.610 0.000 2.307 273 V HA -0.134 -4.219 4.120 -13.675 0.000 0.245 273 V C 1.238 176.886 176.094 -0.743 0.000 1.045 273 V CA 1.651 63.482 62.300 -0.781 0.000 1.024 273 V CB -0.156 30.914 31.823 -1.255 0.000 0.651 273 V HN 0.252 nan 8.190 nan 0.000 0.449 274 W N 0.554 121.578 121.300 -0.460 0.000 2.335 274 W HA 0.631 4.162 4.660 -1.882 0.000 0.307 274 W C 0.372 176.683 176.519 -0.347 0.000 1.117 274 W CA -0.652 56.417 57.345 -0.459 0.000 1.228 274 W CB 0.778 29.903 29.460 -0.557 0.000 1.240 274 W HN 0.133 nan 8.180 nan 0.000 0.468 275 G N 3.947 112.711 108.800 -0.061 0.000 2.389 275 G HA2 0.424 -3.821 3.960 -13.675 0.000 0.328 275 G HA3 0.424 -3.821 3.960 -13.675 0.000 0.328 275 G C -1.707 173.141 174.900 -0.087 0.000 1.133 275 G CA -1.204 43.854 45.100 -0.071 0.000 0.891 275 G HN 0.148 nan 8.290 nan 0.000 0.485 276 P HA 0.046 nan 4.420 nan 0.000 0.241 276 P C 0.335 177.700 177.300 0.108 0.000 1.191 276 P CA 0.480 63.597 63.100 0.027 0.000 0.771 276 P CB 0.438 32.160 31.700 0.036 0.000 0.929 277 S N -3.376 112.374 115.700 0.083 0.000 2.636 277 S HA 0.412 -3.323 4.470 -13.675 0.000 0.268 277 S C -2.687 171.976 174.600 0.105 0.000 1.159 277 S CA -1.253 57.020 58.200 0.122 0.000 0.815 277 S CB 1.267 64.511 63.200 0.073 0.000 1.130 277 S HN -0.346 nan 8.310 nan 0.000 0.471 278 P HA -0.087 nan 4.420 nan 0.000 0.216 278 P C 0.634 177.941 177.300 0.012 0.000 1.154 278 P CA 1.497 64.618 63.100 0.034 0.000 0.865 278 P CB 0.064 31.719 31.700 -0.075 0.000 0.789 279 K N -1.598 118.809 120.400 0.012 0.000 2.397 279 K HA 0.244 -3.641 4.320 -13.675 0.000 0.202 279 K C 0.357 176.967 176.600 0.016 0.000 1.022 279 K CA -0.114 56.177 56.287 0.007 0.000 1.141 279 K CB -0.496 32.006 32.500 0.002 0.000 0.857 279 K HN -0.078 nan 8.250 nan 0.000 0.514 280 S N 2.539 118.251 115.700 0.021 0.000 3.614 280 S HA -0.156 -3.892 4.470 -13.675 0.000 0.360 280 S C 0.283 174.907 174.600 0.040 0.000 1.023 280 S CA 1.101 59.311 58.200 0.016 0.000 1.114 280 S CB -1.414 61.784 63.200 -0.002 0.000 0.907 280 S HN 0.640 nan 8.310 nan 0.000 0.470 281 N N -0.713 118.021 118.700 0.057 0.000 2.377 281 N HA 0.143 -3.323 4.740 -13.675 0.000 0.259 281 N C -0.350 175.278 175.510 0.196 0.000 1.332 281 N CA -0.473 52.652 53.050 0.125 0.000 0.877 281 N CB 0.449 38.984 38.487 0.081 0.000 1.299 281 N HN 0.313 nan 8.380 nan 0.000 0.501 282 Q N 0.020 119.837 119.800 0.028 0.000 2.528 282 Q HA 0.577 -3.288 4.340 -13.675 0.000 0.289 282 Q C -2.854 172.795 176.000 -0.584 0.000 1.091 282 Q CA -1.762 53.942 55.803 -0.165 0.000 0.797 282 Q CB 1.408 30.072 28.738 -0.123 0.000 1.466 282 Q HN 0.027 nan 8.270 nan 0.000 0.436 283 P HA -0.002 nan 4.420 nan 0.000 0.266 283 P C -0.021 177.069 177.300 -0.350 0.000 1.193 283 P CA 0.452 63.048 63.100 -0.840 0.000 0.770 283 P CB 0.374 31.363 31.700 -1.184 0.000 0.836 284 G N 0.719 109.416 108.800 -0.171 0.000 2.531 284 G HA2 0.490 -3.755 3.960 -13.675 0.000 0.253 284 G HA3 0.490 -3.755 3.960 -13.675 0.000 0.253 284 G C -0.583 174.368 174.900 0.086 0.000 1.439 284 G CA -0.209 44.930 45.100 0.066 0.000 1.056 284 G HN 0.573 nan 8.290 nan 0.000 0.555 285 S N -2.193 113.549 115.700 0.070 0.000 2.588 285 S HA 0.356 -3.379 4.470 -13.675 0.000 0.269 285 S C -0.892 173.571 174.600 -0.228 0.000 1.157 285 S CA -0.549 57.578 58.200 -0.121 0.000 0.824 285 S CB 1.727 64.643 63.200 -0.473 0.000 1.126 285 S HN 0.714 nan 8.310 nan 0.000 0.464 286 Q N 1.641 121.101 119.800 -0.565 0.000 2.395 286 Q HA 0.368 -3.497 4.340 -13.675 0.000 0.271 286 Q C -1.071 174.671 176.000 -0.431 0.000 1.026 286 Q CA 0.662 56.072 55.803 -0.656 0.000 0.900 286 Q CB 0.776 28.665 28.738 -1.414 0.000 1.266 286 Q HN 0.629 nan 8.270 nan 0.000 0.430 287 S N 1.799 117.345 115.700 -0.256 0.000 2.541 287 S HA 0.267 -3.468 4.470 -13.675 0.000 0.280 287 S C -1.048 173.477 174.600 -0.125 0.000 1.112 287 S CA -0.571 57.469 58.200 -0.267 0.000 0.925 287 S CB 1.839 64.898 63.200 -0.236 0.000 1.067 287 S HN 0.623 nan 8.310 nan 0.000 0.479 288 S N 1.954 117.573 115.700 -0.136 0.000 2.523 288 S HA 0.654 -3.081 4.470 -13.675 0.000 0.275 288 S C -1.246 173.456 174.600 0.169 0.000 1.281 288 S CA -0.181 58.036 58.200 0.029 0.000 1.050 288 S CB -0.089 63.129 63.200 0.030 0.000 0.937 288 S HN 0.507 nan 8.310 nan 0.000 0.492 289 F N 4.591 124.589 119.950 0.080 0.000 3.051 289 F HA 0.428 -3.237 4.527 -13.653 0.000 0.363 289 F C -0.424 175.465 175.800 0.148 0.000 1.257 289 F CA -0.404 57.694 58.000 0.164 0.000 1.126 289 F CB 1.225 40.364 39.000 0.231 0.000 1.476 289 F HN 0.615 nan 8.300 nan 0.000 0.576 290 T N 2.105 116.642 114.554 -0.028 0.000 2.906 290 T HA 0.909 -2.946 4.350 -13.675 0.000 0.295 290 T C -0.750 173.903 174.700 -0.079 0.000 1.061 290 T CA -0.829 61.242 62.100 -0.048 0.000 1.000 290 T CB 1.830 70.746 68.868 0.080 0.000 1.103 290 T HN 0.849 nan 8.240 nan 0.000 0.486 291 A N 1.781 124.590 122.820 -0.017 0.000 2.292 291 A HA 0.843 -3.042 4.320 -13.675 0.000 0.319 291 A C 0.201 177.858 177.584 0.122 0.000 1.206 291 A CA -0.628 51.464 52.037 0.092 0.000 0.835 291 A CB 0.360 19.452 19.000 0.153 0.000 1.164 291 A HN 1.813 nan 8.150 nan 0.000 0.505 292 V N -0.551 119.449 119.914 0.143 0.000 3.159 292 V HA 0.878 -3.208 4.120 -13.675 0.000 0.308 292 V C -0.414 175.758 176.094 0.129 0.000 1.190 292 V CA -0.606 61.783 62.300 0.147 0.000 1.037 292 V CB 1.648 33.539 31.823 0.113 0.000 1.060 292 V HN 0.698 nan 8.190 nan 0.000 0.437 293 T N 3.262 117.911 114.554 0.158 0.000 2.791 293 T HA 0.719 -3.136 4.350 -13.675 0.000 0.288 293 T C -0.499 174.291 174.700 0.150 0.000 0.999 293 T CA 0.023 62.199 62.100 0.127 0.000 0.952 293 T CB 0.657 69.593 68.868 0.113 0.000 0.938 293 T HN 0.637 nan 8.240 nan 0.000 0.444 294 I N 2.588 123.188 120.570 0.050 0.000 2.418 294 I HA 0.295 -3.740 4.170 -13.675 0.000 0.287 294 I C 0.434 176.577 176.117 0.042 0.000 1.008 294 I CA -0.682 60.627 61.300 0.015 0.000 1.104 294 I CB 1.428 39.322 38.000 -0.176 0.000 1.264 294 I HN 0.735 nan 8.210 nan 0.000 0.438 295 E N 4.660 124.905 120.200 0.074 0.000 2.238 295 E HA -0.290 -4.145 4.350 -13.675 0.000 0.219 295 E C 1.066 177.693 176.600 0.045 0.000 1.275 295 E CA 0.637 57.067 56.400 0.049 0.000 0.714 295 E CB -1.121 28.591 29.700 0.021 0.000 1.154 295 E HN 1.213 nan 8.360 nan 0.000 0.363 296 G N -0.615 108.219 108.800 0.057 0.000 2.176 296 G HA2 -0.347 -4.592 3.960 -13.675 0.000 0.253 296 G HA3 -0.347 -4.592 3.960 -13.675 0.000 0.253 296 G C 0.217 175.148 174.900 0.053 0.000 0.979 296 G CA 0.519 45.648 45.100 0.047 0.000 0.641 296 G HN 0.288 nan 8.290 nan 0.000 0.530 297 M N 0.263 119.903 119.600 0.068 0.000 2.167 297 M HA 0.516 -3.209 4.480 -13.675 0.000 0.333 297 M C 0.298 176.665 176.300 0.112 0.000 1.030 297 M CA -0.934 54.424 55.300 0.095 0.000 0.963 297 M CB 1.828 34.503 32.600 0.125 0.000 1.589 297 M HN 0.093 nan 8.290 nan 0.000 0.431 298 R N 2.787 123.348 120.500 0.101 0.000 2.401 298 R HA 0.475 -3.390 4.340 -13.675 0.000 0.299 298 R C -0.999 175.521 176.300 0.367 0.000 1.064 298 R CA -0.083 56.095 56.100 0.130 0.000 1.000 298 R CB 0.299 30.548 30.300 -0.083 0.000 0.973 298 R HN 0.610 nan 8.270 nan 0.000 0.438 299 V N 1.045 121.199 119.914 0.400 0.000 3.182 299 V HA 0.636 -3.449 4.120 -13.675 0.000 0.308 299 V C -0.608 175.674 176.094 0.312 0.000 1.240 299 V CA -1.252 61.308 62.300 0.433 0.000 1.063 299 V CB 2.388 34.383 31.823 0.288 0.000 1.076 299 V HN 0.660 nan 8.190 nan 0.000 0.446 300 M N 2.030 121.738 119.600 0.179 0.000 2.436 300 M HA 0.673 -3.052 4.480 -13.675 0.000 0.331 300 M C -1.280 175.143 176.300 0.205 0.000 1.135 300 M CA -0.418 54.936 55.300 0.090 0.000 0.987 300 M CB 2.072 34.635 32.600 -0.063 0.000 1.687 300 M HN 0.531 nan 8.290 nan 0.000 0.445 301 L N 2.696 124.036 121.223 0.194 0.000 2.341 301 L HA 0.658 -3.207 4.340 -13.675 0.000 0.278 301 L C -1.365 175.739 176.870 0.390 0.000 1.005 301 L CA -0.549 54.451 54.840 0.266 0.000 0.818 301 L CB 1.730 43.885 42.059 0.160 0.000 1.259 301 L HN 0.582 nan 8.230 nan 0.000 0.418 302 F N 2.239 122.336 119.950 0.246 0.000 2.556 302 F HA 0.658 -3.071 4.527 -13.761 0.000 0.314 302 F C -0.173 175.689 175.800 0.103 0.000 1.106 302 F CA -0.340 57.733 58.000 0.122 0.000 0.911 302 F CB 2.031 40.884 39.000 -0.244 0.000 1.190 302 F HN 0.468 nan 8.300 nan 0.000 0.448 303 T N 1.820 115.920 114.554 -0.756 0.000 2.887 303 T HA 0.640 -3.215 4.350 -13.675 0.000 0.288 303 T C -1.458 172.700 174.700 -0.903 0.000 1.021 303 T CA -0.643 61.111 62.100 -0.577 0.000 1.000 303 T CB 1.761 70.463 68.868 -0.277 0.000 1.034 303 T HN 0.902 nan 8.240 nan 0.000 0.467 304 H N 0.945 119.717 119.070 -0.497 0.000 3.121 304 H HA 0.442 -3.188 4.556 -13.643 0.000 0.337 304 H C -3.048 172.233 175.328 -0.079 0.000 1.198 304 H CA -1.271 54.593 56.048 -0.307 0.000 1.274 304 H CB 2.213 31.819 29.762 -0.259 0.000 1.954 304 H HN 0.534 nan 8.280 nan 0.000 0.531 305 P HA 0.042 nan 4.420 nan 0.000 0.271 305 P C 0.477 177.914 177.300 0.228 0.000 1.218 305 P CA -0.129 62.990 63.100 0.032 0.000 0.780 305 P CB 1.494 33.168 31.700 -0.044 0.000 0.901 306 L N 0.922 122.204 121.223 0.099 0.000 2.240 306 L HA -0.039 -3.904 4.340 -13.675 0.000 0.211 306 L C 0.865 177.847 176.870 0.186 0.000 1.106 306 L CA 0.730 55.659 54.840 0.149 0.000 0.793 306 L CB -0.825 41.242 42.059 0.014 0.000 0.927 306 L HN 0.484 nan 8.230 nan 0.000 0.446 307 N N -0.572 118.178 118.700 0.084 0.000 2.756 307 N HA -0.248 -3.713 4.740 -13.675 0.000 0.248 307 N C 0.541 176.208 175.510 0.261 0.000 1.062 307 N CA 0.338 53.467 53.050 0.131 0.000 0.696 307 N CB -1.526 37.030 38.487 0.115 0.000 0.946 307 N HN 0.329 nan 8.380 nan 0.000 0.548 308 F N -0.040 119.939 119.950 0.048 0.000 2.202 308 F HA -0.203 -3.887 4.527 -13.686 0.000 0.301 308 F C 2.038 177.856 175.800 0.030 0.000 1.082 308 F CA 0.931 58.953 58.000 0.038 0.000 1.313 308 F CB -0.011 39.010 39.000 0.036 0.000 1.024 308 F HN 0.224 nan 8.300 nan 0.000 0.495 309 K N 0.391 120.919 120.400 0.214 0.000 2.217 309 K HA 0.132 -3.753 4.320 -13.675 0.000 0.202 309 K C 1.040 177.696 176.600 0.094 0.000 1.051 309 K CA 0.519 56.884 56.287 0.131 0.000 0.952 309 K CB -0.314 32.246 32.500 0.100 0.000 0.736 309 K HN 0.356 nan 8.250 nan 0.000 0.453 310 G N 1.025 109.873 108.800 0.081 0.000 2.757 310 G HA2 -0.272 -4.517 3.960 -13.675 0.000 0.638 310 G HA3 -0.272 -4.517 3.960 -13.675 0.000 0.638 310 G C -0.467 174.429 174.900 -0.006 0.000 1.344 310 G CA -0.320 44.797 45.100 0.027 0.000 0.855 310 G HN 0.297 nan 8.290 nan 0.000 0.537 311 R N -2.113 118.323 120.500 -0.107 0.000 3.835 311 R HA -0.241 -4.106 4.340 -13.675 0.000 0.455 311 R C 1.118 177.225 176.300 -0.322 0.000 0.241 311 R CA 2.210 58.154 56.100 -0.261 0.000 1.439 311 R CB -1.313 29.021 30.300 0.056 0.000 0.987 311 R HN 0.807 nan 8.270 nan 0.000 0.570 312 W N 1.222 122.563 121.300 0.069 0.000 3.316 312 W HA 0.214 -3.329 4.660 -13.672 0.000 0.327 312 W C 1.740 178.304 176.519 0.074 0.000 1.232 312 W CA -0.115 57.271 57.345 0.067 0.000 1.805 312 W CB -0.159 29.343 29.460 0.070 0.000 1.090 312 W HN 0.338 nan 8.180 nan 0.000 0.654 313 L N 0.729 122.083 121.223 0.218 0.000 2.012 313 L HA -0.129 -3.994 4.340 -13.675 0.000 0.210 313 L C 1.138 178.073 176.870 0.108 0.000 1.073 313 L CA 1.430 56.358 54.840 0.147 0.000 0.748 313 L CB -0.639 41.483 42.059 0.105 0.000 0.891 313 L HN -0.069 nan 8.230 nan 0.000 0.431 314 R N 1.193 121.744 120.500 0.085 0.000 3.209 314 R HA -0.132 -3.997 4.340 -13.675 0.000 0.252 314 R C -0.388 175.926 176.300 0.023 0.000 0.958 314 R CA 0.530 56.667 56.100 0.061 0.000 0.651 314 R CB -1.837 28.516 30.300 0.088 0.000 1.142 314 R HN 0.616 nan 8.270 nan 0.000 0.441 315 D N 0.862 121.261 120.400 -0.002 0.000 2.363 315 D HA 0.084 -3.481 4.640 -13.675 0.000 0.240 315 D C 0.045 176.269 176.300 -0.127 0.000 1.236 315 D CA -0.375 53.589 54.000 -0.059 0.000 0.927 315 D CB 0.441 41.200 40.800 -0.068 0.000 1.150 315 D HN 0.283 nan 8.370 nan 0.000 0.458 316 R N -1.080 119.322 120.500 -0.164 0.000 3.144 316 R HA -0.196 -4.061 4.340 -13.675 0.000 0.255 316 R C -0.583 175.621 176.300 -0.159 0.000 0.949 316 R CA -0.229 55.741 56.100 -0.216 0.000 0.649 316 R CB -1.866 28.186 30.300 -0.413 0.000 1.229 316 R HN 0.416 nan 8.270 nan 0.000 0.440 317 L N 1.850 122.971 121.223 -0.169 0.000 2.534 317 L HA 0.086 -3.779 4.340 -13.675 0.000 0.271 317 L C 0.055 176.830 176.870 -0.159 0.000 1.178 317 L CA 0.731 55.460 54.840 -0.184 0.000 0.907 317 L CB 0.383 42.238 42.059 -0.341 0.000 1.164 317 L HN 0.200 nan 8.230 nan 0.000 0.482 318 N N 3.743 122.394 118.700 -0.081 0.000 2.319 318 N HA 0.650 -2.815 4.740 -13.675 0.000 0.305 318 N C -1.498 173.941 175.510 -0.118 0.000 1.103 318 N CA -0.568 52.413 53.050 -0.115 0.000 0.815 318 N CB 1.715 40.162 38.487 -0.066 0.000 1.288 318 N HN 0.506 nan 8.380 nan 0.000 0.493 319 L N 1.630 122.707 121.223 -0.243 0.000 2.329 319 L HA 0.684 -3.181 4.340 -13.675 0.000 0.279 319 L C -1.776 174.932 176.870 -0.271 0.000 1.014 319 L CA -0.511 54.250 54.840 -0.133 0.000 0.814 319 L CB 0.621 42.633 42.059 -0.077 0.000 1.257 319 L HN 0.555 nan 8.230 nan 0.000 0.424 320 W N 5.288 126.693 121.300 0.174 0.000 2.844 320 W HA 0.665 -1.736 4.660 -11.769 0.000 0.340 320 W C -1.204 175.518 176.519 0.339 0.000 1.093 320 W CA -0.631 56.903 57.345 0.316 0.000 1.212 320 W CB 1.761 31.531 29.460 0.517 0.000 1.422 320 W HN 0.392 nan 8.180 nan 0.000 0.515 321 L N 2.525 124.125 121.223 0.628 0.000 2.362 321 L HA 0.862 -3.003 4.340 -13.675 0.000 0.275 321 L C -0.526 176.729 176.870 0.641 0.000 0.998 321 L CA -0.098 55.046 54.840 0.507 0.000 0.820 321 L CB 1.944 44.221 42.059 0.363 0.000 1.270 321 L HN 0.380 nan 8.230 nan 0.000 0.415 322 T N 1.422 116.293 114.554 0.528 0.000 2.923 322 T HA 0.417 -3.438 4.350 -13.675 0.000 0.311 322 T C -0.666 174.237 174.700 0.339 0.000 1.183 322 T CA -0.235 62.151 62.100 0.477 0.000 1.020 322 T CB 1.156 70.220 68.868 0.326 0.000 1.165 322 T HN 0.754 nan 8.240 nan 0.000 0.482 323 D N 2.835 123.407 120.400 0.288 0.000 2.427 323 D HA 0.149 -3.416 4.640 -13.675 0.000 0.224 323 D C 0.782 177.085 176.300 0.005 0.000 1.157 323 D CA -0.244 53.894 54.000 0.230 0.000 0.828 323 D CB -0.685 40.309 40.800 0.323 0.000 0.974 323 D HN 0.795 nan 8.370 nan 0.000 0.498 324 N N -0.199 118.370 118.700 -0.219 0.000 2.878 324 N HA -0.255 -3.721 4.740 -13.675 0.000 0.247 324 N C 0.255 175.667 175.510 -0.163 0.000 1.021 324 N CA 1.111 53.996 53.050 -0.274 0.000 0.873 324 N CB -0.343 37.889 38.487 -0.425 0.000 1.128 324 N HN 0.467 nan 8.380 nan 0.000 0.571 325 Q N -0.676 119.016 119.800 -0.181 0.000 2.361 325 Q HA 0.219 -3.646 4.340 -13.675 0.000 0.182 325 Q C -0.117 175.726 176.000 -0.261 0.000 0.650 325 Q CA -0.235 55.410 55.803 -0.264 0.000 0.842 325 Q CB 0.386 28.940 28.738 -0.307 0.000 1.211 325 Q HN 0.124 nan 8.270 nan 0.000 0.502 326 R N 0.994 121.271 120.500 -0.372 0.000 2.459 326 R HA 0.536 -3.329 4.340 -13.675 0.000 0.281 326 R C -0.608 175.709 176.300 0.027 0.000 1.050 326 R CA 0.139 56.066 56.100 -0.287 0.000 1.055 326 R CB 0.976 30.800 30.300 -0.793 0.000 1.045 326 R HN 0.147 nan 8.270 nan 0.000 0.495 327 I N 2.279 123.008 120.570 0.265 0.000 2.497 327 I HA 0.216 -3.819 4.170 -13.675 0.000 0.284 327 I C -1.377 175.114 176.117 0.623 0.000 1.060 327 I CA -0.804 60.752 61.300 0.427 0.000 1.071 327 I CB 1.300 39.412 38.000 0.188 0.000 1.216 327 I HN 0.529 nan 8.210 nan 0.000 0.442 328 Y N 6.165 126.852 120.300 0.645 0.000 2.352 328 Y HA 0.421 -3.228 4.550 -13.664 0.000 0.339 328 Y C -0.026 176.090 175.900 0.360 0.000 0.992 328 Y CA -0.796 57.606 58.100 0.503 0.000 1.100 328 Y CB 1.343 40.072 38.460 0.449 0.000 1.192 328 Y HN 0.563 nan 8.280 nan 0.000 0.458 329 N N 4.668 123.008 118.700 -0.601 0.000 2.439 329 N HA 0.132 -3.333 4.740 -13.675 0.000 0.243 329 N C 0.263 175.242 175.510 -0.885 0.000 1.088 329 N CA 0.069 52.517 53.050 -1.004 0.000 0.940 329 N CB 0.924 38.793 38.487 -1.031 0.000 1.180 329 N HN 0.581 nan 8.380 nan 0.000 0.505 330 V N 2.544 122.204 119.914 -0.424 0.000 2.358 330 V HA 0.172 -3.913 4.120 -13.675 0.000 0.246 330 V C 1.490 177.479 176.094 -0.175 0.000 1.047 330 V CA 1.729 63.982 62.300 -0.078 0.000 1.035 330 V CB -1.464 30.377 31.823 0.030 0.000 0.658 330 V HN 0.942 nan 8.190 nan 0.000 0.452 331 G N -1.085 107.534 108.800 -0.302 0.000 2.302 331 G HA2 0.006 -4.239 3.960 -13.675 0.000 0.276 331 G HA3 0.006 -4.239 3.960 -13.675 0.000 0.276 331 G C -0.962 173.810 174.900 -0.213 0.000 1.316 331 G CA -0.217 44.736 45.100 -0.244 0.000 0.988 331 G HN 0.234 nan 8.290 nan 0.000 0.479 332 Q N -0.208 119.501 119.800 -0.151 0.000 2.294 332 Q HA 0.540 -3.325 4.340 -13.675 0.000 0.257 332 Q C 0.830 176.763 176.000 -0.111 0.000 0.955 332 Q CA -0.422 55.299 55.803 -0.137 0.000 0.936 332 Q CB 1.437 30.105 28.738 -0.117 0.000 1.188 332 Q HN 0.442 nan 8.270 nan 0.000 0.420 333 V N 2.689 122.523 119.914 -0.133 0.000 2.535 333 V HA -0.086 -4.171 4.120 -13.675 0.000 0.246 333 V C 1.011 177.056 176.094 -0.082 0.000 1.045 333 V CA 1.349 63.586 62.300 -0.105 0.000 1.058 333 V CB 0.029 31.771 31.823 -0.135 0.000 0.689 333 V HN 0.873 nan 8.190 nan 0.000 0.461 334 S N 0.106 115.704 115.700 -0.171 0.000 2.626 334 S HA 0.457 -3.278 4.470 -13.675 0.000 0.257 334 S C -0.349 174.243 174.600 -0.013 0.000 1.288 334 S CA -0.325 57.829 58.200 -0.077 0.000 0.980 334 S CB 0.846 63.959 63.200 -0.146 0.000 0.975 334 S HN 0.212 nan 8.310 nan 0.000 0.577 335 I N 1.345 121.930 120.570 0.026 0.000 2.406 335 I HA 0.549 -3.486 4.170 -13.675 0.000 0.290 335 I C 1.179 177.294 176.117 -0.003 0.000 0.999 335 I CA -0.078 61.229 61.300 0.012 0.000 1.124 335 I CB 0.922 38.939 38.000 0.030 0.000 1.289 335 I HN 1.142 nan 8.210 nan 0.000 0.441 336 G N 5.685 114.478 108.800 -0.013 0.000 2.596 336 G HA2 -0.334 -4.580 3.960 -13.675 0.000 0.295 336 G HA3 -0.334 -4.580 3.960 -13.675 0.000 0.295 336 G C 0.307 175.189 174.900 -0.029 0.000 1.240 336 G CA 0.613 45.706 45.100 -0.013 0.000 0.985 336 G HN 0.872 nan 8.290 nan 0.000 0.555 337 D N 1.675 122.065 120.400 -0.016 0.000 2.427 337 D HA 0.163 -3.403 4.640 -13.675 0.000 0.224 337 D C 0.957 177.247 176.300 -0.018 0.000 1.157 337 D CA 0.702 54.689 54.000 -0.022 0.000 0.828 337 D CB -0.562 40.243 40.800 0.008 0.000 0.974 337 D HN 0.970 nan 8.370 nan 0.000 0.498 338 E N 0.366 120.558 120.200 -0.014 0.000 2.418 338 E HA 0.022 -3.833 4.350 -13.675 0.000 0.261 338 E C -0.337 176.256 176.600 -0.011 0.000 1.070 338 E CA -0.460 55.936 56.400 -0.006 0.000 0.931 338 E CB 0.394 30.101 29.700 0.012 0.000 0.954 338 E HN -0.087 nan 8.360 nan 0.000 0.439 339 N N 1.390 120.082 118.700 -0.013 0.000 2.470 339 N HA 0.081 -3.385 4.740 -13.675 0.000 0.268 339 N C -0.949 174.570 175.510 0.016 0.000 1.136 339 N CA -0.059 52.986 53.050 -0.008 0.000 0.961 339 N CB 1.193 39.661 38.487 -0.032 0.000 1.067 339 N HN 0.567 nan 8.380 nan 0.000 0.468 340 S N -0.706 115.015 115.700 0.035 0.000 2.479 340 S HA 0.532 -3.203 4.470 -13.675 0.000 0.169 340 S C 0.291 174.925 174.600 0.056 0.000 1.181 340 S CA -0.770 57.474 58.200 0.074 0.000 1.169 340 S CB 0.492 63.699 63.200 0.013 0.000 1.384 340 S HN 0.525 nan 8.310 nan 0.000 0.412 341 A N 2.014 124.916 122.820 0.136 0.000 1.878 341 A HA 0.493 -3.392 4.320 -13.675 0.000 0.215 341 A C 0.128 177.856 177.584 0.240 0.000 1.310 341 A CA 0.698 52.837 52.037 0.170 0.000 0.612 341 A CB -0.451 18.705 19.000 0.260 0.000 0.989 341 A HN 0.661 nan 8.150 nan 0.000 0.472 342 Y N 0.537 120.852 120.300 0.026 0.000 2.307 342 Y HA 0.520 -3.132 4.550 -13.670 0.000 0.324 342 Y C 0.785 176.703 175.900 0.029 0.000 1.238 342 Y CA -0.900 57.198 58.100 -0.003 0.000 1.280 342 Y CB 1.008 39.473 38.460 0.008 0.000 1.248 342 Y HN 0.479 nan 8.280 nan 0.000 0.508 343 S N -0.095 115.684 115.700 0.131 0.000 2.588 343 S HA 0.733 -3.002 4.470 -13.675 0.000 0.269 343 S C -1.122 173.526 174.600 0.080 0.000 1.157 343 S CA -0.915 57.352 58.200 0.111 0.000 0.824 343 S CB 1.970 65.185 63.200 0.025 0.000 1.126 343 S HN 0.536 nan 8.310 nan 0.000 0.464 344 S N 0.515 116.285 115.700 0.117 0.000 2.603 344 S HA 0.618 -3.117 4.470 -13.675 0.000 0.274 344 S C -1.581 173.112 174.600 0.154 0.000 1.168 344 S CA -0.477 57.797 58.200 0.124 0.000 0.963 344 S CB 1.155 64.438 63.200 0.138 0.000 1.078 344 S HN 0.912 nan 8.310 nan 0.000 0.477 345 V N 5.334 125.336 119.914 0.146 0.000 2.459 345 V HA 0.675 -3.410 4.120 -13.675 0.000 0.295 345 V C -0.493 175.729 176.094 0.213 0.000 1.029 345 V CA -0.702 61.700 62.300 0.170 0.000 0.874 345 V CB 1.425 33.326 31.823 0.130 0.000 0.985 345 V HN 0.775 nan 8.190 nan 0.000 0.438 346 L N 5.286 126.678 121.223 0.281 0.000 2.365 346 L HA 0.619 -3.246 4.340 -13.675 0.000 0.273 346 L C -1.456 175.665 176.870 0.418 0.000 1.000 346 L CA -0.470 54.565 54.840 0.325 0.000 0.819 346 L CB 1.745 44.001 42.059 0.328 0.000 1.284 346 L HN 0.622 nan 8.230 nan 0.000 0.418 347 Y N 5.109 125.534 120.300 0.208 0.000 2.345 347 Y HA 0.581 -3.071 4.550 -13.670 0.000 0.331 347 Y C -0.950 175.061 175.900 0.186 0.000 0.959 347 Y CA -0.696 57.510 58.100 0.176 0.000 1.204 347 Y CB 0.790 39.318 38.460 0.113 0.000 1.135 347 Y HN 0.709 nan 8.280 nan 0.000 0.477 348 K N 5.418 125.780 120.400 -0.062 0.000 2.541 348 K HA 0.279 -3.606 4.320 -13.675 0.000 0.250 348 K C -1.025 175.494 176.600 -0.136 0.000 0.950 348 K CA -0.423 55.828 56.287 -0.059 0.000 0.805 348 K CB 0.939 33.508 32.500 0.115 0.000 1.166 348 K HN 0.735 nan 8.250 nan 0.000 0.430 349 D N 3.816 124.094 120.400 -0.203 0.000 2.689 349 D HA -0.201 -3.766 4.640 -13.675 0.000 0.237 349 D C -0.388 175.805 176.300 -0.178 0.000 1.148 349 D CA 1.804 55.719 54.000 -0.141 0.000 0.656 349 D CB -0.746 40.029 40.800 -0.041 0.000 1.050 349 D HN 1.004 nan 8.370 nan 0.000 0.426 350 D N -0.964 119.187 120.400 -0.415 0.000 2.837 350 D HA -0.207 -3.773 4.640 -13.675 0.000 0.230 350 D C -0.683 175.577 176.300 -0.067 0.000 1.152 350 D CA 1.223 55.074 54.000 -0.249 0.000 0.736 350 D CB -0.089 40.696 40.800 -0.024 0.000 1.084 350 D HN 0.364 nan 8.370 nan 0.000 0.429 351 K N -0.146 120.171 120.400 -0.139 0.000 2.426 351 K HA 0.601 -3.284 4.320 -13.675 0.000 0.251 351 K C -0.700 175.812 176.600 -0.146 0.000 0.941 351 K CA -1.084 55.127 56.287 -0.127 0.000 0.808 351 K CB 2.139 34.539 32.500 -0.168 0.000 1.265 351 K HN 0.071 nan 8.250 nan 0.000 0.432 352 L N 2.522 123.581 121.223 -0.274 0.000 2.329 352 L HA 0.507 -3.358 4.340 -13.675 0.000 0.279 352 L C -1.580 175.025 176.870 -0.441 0.000 1.014 352 L CA -0.332 54.442 54.840 -0.110 0.000 0.814 352 L CB 0.837 42.907 42.059 0.018 0.000 1.257 352 L HN 0.495 nan 8.230 nan 0.000 0.424 353 Y N 2.838 123.186 120.300 0.079 0.000 2.581 353 Y HA 0.648 -3.008 4.550 -13.676 0.000 0.345 353 Y C -0.512 175.395 175.900 0.013 0.000 1.036 353 Y CA -0.645 57.439 58.100 -0.027 0.000 1.042 353 Y CB 2.123 40.601 38.460 0.030 0.000 1.289 353 Y HN 0.650 nan 8.280 nan 0.000 0.471 354 C N 3.308 122.674 119.300 0.110 0.000 2.551 354 C HA 0.715 -3.030 4.460 -13.675 0.000 0.332 354 C C -1.636 173.446 174.990 0.153 0.000 1.139 354 C CA -0.708 58.402 59.018 0.153 0.000 1.328 354 C CB 0.050 27.883 27.740 0.155 0.000 1.903 354 C HN 0.779 nan 8.230 nan 0.000 0.459 355 L N 7.049 128.403 121.223 0.219 0.000 2.287 355 L HA 0.794 -3.071 4.340 -13.675 0.000 0.287 355 L C -0.229 176.751 176.870 0.182 0.000 1.022 355 L CA 0.629 55.586 54.840 0.196 0.000 0.814 355 L CB 0.741 42.933 42.059 0.222 0.000 1.217 355 L HN 0.958 nan 8.230 nan 0.000 0.420 356 H N 1.231 120.346 119.070 0.075 0.000 3.008 356 H HA 0.606 -3.038 4.556 -13.667 0.000 0.354 356 H C -1.230 174.135 175.328 0.061 0.000 1.252 356 H CA -0.994 55.090 56.048 0.060 0.000 1.117 356 H CB 0.827 30.616 29.762 0.045 0.000 1.857 356 H HN 0.549 nan 8.280 nan 0.000 0.547 357 E N 1.009 121.372 120.200 0.272 0.000 2.366 357 E HA 0.338 -3.517 4.350 -13.675 0.000 0.266 357 E C -0.210 176.532 176.600 0.238 0.000 1.051 357 E CA -0.417 56.109 56.400 0.211 0.000 0.884 357 E CB 1.317 31.166 29.700 0.248 0.000 1.006 357 E HN 0.552 nan 8.360 nan 0.000 0.417 358 I N -0.396 120.242 120.570 0.113 0.000 2.582 358 I HA 0.449 -3.586 4.170 -13.675 0.000 0.292 358 I C -0.971 175.104 176.117 -0.070 0.000 1.066 358 I CA -0.799 60.531 61.300 0.049 0.000 1.053 358 I CB 1.945 39.960 38.000 0.025 0.000 1.241 358 I HN 0.352 nan 8.210 nan 0.000 0.421 359 N N 4.203 122.793 118.700 -0.184 0.000 2.448 359 N HA 0.443 -3.022 4.740 -13.675 0.000 0.279 359 N C -1.523 173.822 175.510 -0.275 0.000 1.025 359 N CA -0.313 52.457 53.050 -0.468 0.000 0.898 359 N CB 1.691 39.720 38.487 -0.764 0.000 1.303 359 N HN 0.718 nan 8.380 nan 0.000 0.495 360 S N 2.670 118.228 115.700 -0.236 0.000 2.552 360 S HA 0.317 -3.418 4.470 -13.675 0.000 0.314 360 S C -0.142 174.381 174.600 -0.129 0.000 1.099 360 S CA -0.661 57.457 58.200 -0.137 0.000 1.070 360 S CB 0.991 64.140 63.200 -0.085 0.000 0.998 360 S HN 0.767 nan 8.310 nan 0.000 0.474 361 N N 2.824 121.474 118.700 -0.084 0.000 2.721 361 N HA -0.151 -3.616 4.740 -13.675 0.000 0.249 361 N C -0.536 174.952 175.510 -0.037 0.000 1.072 361 N CA 1.009 54.035 53.050 -0.041 0.000 0.710 361 N CB -0.818 37.654 38.487 -0.026 0.000 0.993 361 N HN 0.780 nan 8.380 nan 0.000 0.547 362 E N -3.308 116.834 120.200 -0.096 0.000 2.637 362 E HA -0.198 -4.053 4.350 -13.675 0.000 0.265 362 E C -0.578 176.080 176.600 0.096 0.000 1.073 362 E CA 0.867 57.260 56.400 -0.011 0.000 0.778 362 E CB -1.863 27.914 29.700 0.128 0.000 1.362 362 E HN 0.412 nan 8.360 nan 0.000 0.413 363 V N 1.034 120.902 119.914 -0.076 0.000 2.444 363 V HA 0.436 -3.649 4.120 -13.675 0.000 0.294 363 V C -0.266 175.778 176.094 -0.083 0.000 1.022 363 V CA -0.715 61.576 62.300 -0.016 0.000 0.850 363 V CB 1.010 32.723 31.823 -0.182 0.000 0.992 363 V HN 0.063 nan 8.190 nan 0.000 0.426 364 Y N 1.795 122.075 120.300 -0.033 0.000 2.352 364 Y HA 0.680 -2.977 4.550 -13.678 0.000 0.339 364 Y C 0.694 176.624 175.900 0.050 0.000 0.992 364 Y CA -0.317 57.781 58.100 -0.002 0.000 1.100 364 Y CB 2.270 40.720 38.460 -0.016 0.000 1.192 364 Y HN 0.603 nan 8.280 nan 0.000 0.458 365 S N 2.889 118.698 115.700 0.181 0.000 2.648 365 S HA 0.714 -3.021 4.470 -13.675 0.000 0.305 365 S C -1.025 173.640 174.600 0.107 0.000 1.094 365 S CA -0.893 57.409 58.200 0.169 0.000 0.983 365 S CB 1.118 64.365 63.200 0.078 0.000 1.101 365 S HN 0.448 nan 8.310 nan 0.000 0.514 366 L N 2.225 123.481 121.223 0.055 0.000 2.313 366 L HA 0.601 -3.264 4.340 -13.675 0.000 0.283 366 L C -0.314 176.541 176.870 -0.024 0.000 1.013 366 L CA -0.988 53.837 54.840 -0.026 0.000 0.816 366 L CB 1.422 43.394 42.059 -0.145 0.000 1.236 366 L HN 0.453 nan 8.230 nan 0.000 0.419 367 V N -0.003 119.829 119.914 -0.138 0.000 2.716 367 V HA 0.520 -3.565 4.120 -13.675 0.000 0.304 367 V C -0.809 175.268 176.094 -0.030 0.000 1.053 367 V CA -0.576 61.647 62.300 -0.127 0.000 0.984 367 V CB 1.761 33.428 31.823 -0.260 0.000 1.021 367 V HN 0.565 nan 8.190 nan 0.000 0.467 368 F N 3.739 123.648 119.950 -0.068 0.000 2.382 368 F HA 0.837 -2.840 4.527 -13.673 0.000 0.361 368 F C 0.143 176.002 175.800 0.098 0.000 1.109 368 F CA -0.697 57.326 58.000 0.037 0.000 1.031 368 F CB 0.592 39.620 39.000 0.047 0.000 1.234 368 F HN 0.952 nan 8.300 nan 0.000 0.445 369 A N 6.496 129.107 122.820 -0.348 0.000 2.330 369 A HA 0.713 -3.172 4.320 -13.675 0.000 0.327 369 A C -0.525 176.872 177.584 -0.311 0.000 1.155 369 A CA -0.905 51.002 52.037 -0.217 0.000 0.803 369 A CB 0.792 19.766 19.000 -0.044 0.000 1.208 369 A HN 0.812 nan 8.150 nan 0.000 0.477 370 R N 2.402 122.787 120.500 -0.192 0.000 2.205 370 R HA 0.295 -3.571 4.340 -13.675 0.000 0.342 370 R C -0.845 175.367 176.300 -0.146 0.000 1.058 370 R CA -0.157 55.841 56.100 -0.171 0.000 0.904 370 R CB 0.535 30.802 30.300 -0.055 0.000 1.089 370 R HN 0.640 nan 8.270 nan 0.000 0.471 371 L N 4.335 125.448 121.223 -0.183 0.000 2.536 371 L HA 0.093 -3.772 4.340 -13.675 0.000 0.242 371 L C 1.313 178.120 176.870 -0.105 0.000 1.280 371 L CA -0.255 54.520 54.840 -0.108 0.000 1.221 371 L CB 0.281 42.296 42.059 -0.073 0.000 1.449 371 L HN 0.545 nan 8.230 nan 0.000 0.405 372 V N 1.037 120.896 119.914 -0.091 0.000 2.307 372 V HA -0.167 -4.252 4.120 -13.675 0.000 0.245 372 V C 2.460 178.528 176.094 -0.044 0.000 1.045 372 V CA 2.243 64.502 62.300 -0.068 0.000 1.024 372 V CB -0.566 31.227 31.823 -0.050 0.000 0.651 372 V HN 0.805 nan 8.190 nan 0.000 0.449 373 G N -0.321 108.458 108.800 -0.035 0.000 2.418 373 G HA2 -0.226 -4.471 3.960 -13.675 0.000 0.217 373 G HA3 -0.226 -4.471 3.960 -13.675 0.000 0.217 373 G C 1.423 176.308 174.900 -0.025 0.000 1.158 373 G CA 0.901 45.986 45.100 -0.025 0.000 0.771 373 G HN 0.528 nan 8.290 nan 0.000 0.545 374 E N -0.078 120.105 120.200 -0.029 0.000 2.077 374 E HA -0.081 -3.936 4.350 -13.675 0.000 0.193 374 E C 2.283 178.863 176.600 -0.033 0.000 0.989 374 E CA 0.479 56.865 56.400 -0.024 0.000 0.800 374 E CB -0.365 29.320 29.700 -0.026 0.000 0.746 374 E HN 0.344 nan 8.360 nan 0.000 0.452 375 L N 0.880 122.078 121.223 -0.042 0.000 2.083 375 L HA -0.116 -3.981 4.340 -13.675 0.000 0.209 375 L C 2.277 179.116 176.870 -0.052 0.000 1.083 375 L CA 1.748 56.559 54.840 -0.047 0.000 0.752 375 L CB -0.310 41.737 42.059 -0.020 0.000 0.899 375 L HN -0.007 nan 8.230 nan 0.000 0.433 376 R N -0.384 120.092 120.500 -0.042 0.000 2.083 376 R HA -0.178 -4.043 4.340 -13.675 0.000 0.237 376 R C 2.327 178.589 176.300 -0.064 0.000 1.137 376 R CA 2.160 58.234 56.100 -0.044 0.000 0.951 376 R CB -0.425 29.856 30.300 -0.031 0.000 0.851 376 R HN 0.446 nan 8.270 nan 0.000 0.434 377 I N 0.622 121.160 120.570 -0.053 0.000 2.179 377 I HA -0.312 -4.347 4.170 -13.675 0.000 0.242 377 I C 2.328 178.355 176.117 -0.150 0.000 1.088 377 I CA 1.369 62.631 61.300 -0.063 0.000 1.357 377 I CB -0.209 37.797 38.000 0.012 0.000 1.051 377 I HN 0.234 nan 8.210 nan 0.000 0.409 378 I N 0.565 121.057 120.570 -0.130 0.000 2.163 378 I HA -0.319 -4.355 4.170 -13.675 0.000 0.243 378 I C 2.484 178.453 176.117 -0.246 0.000 1.085 378 I CA 1.569 62.749 61.300 -0.200 0.000 1.347 378 I CB -0.366 37.553 38.000 -0.135 0.000 1.044 378 I HN 0.168 nan 8.210 nan 0.000 0.408 379 K N -0.022 120.277 120.400 -0.168 0.000 2.097 379 K HA -0.167 -4.052 4.320 -13.675 0.000 0.206 379 K C 2.354 178.848 176.600 -0.177 0.000 1.049 379 K CA 1.561 57.759 56.287 -0.149 0.000 0.933 379 K CB -0.232 32.216 32.500 -0.086 0.000 0.717 379 K HN 0.188 nan 8.250 nan 0.000 0.442 380 S N 0.640 116.232 115.700 -0.180 0.000 2.356 380 S HA -0.120 -3.855 4.470 -13.675 0.000 0.223 380 S C 2.033 176.473 174.600 -0.267 0.000 1.032 380 S CA 1.194 59.287 58.200 -0.179 0.000 1.005 380 S CB -0.172 62.945 63.200 -0.138 0.000 0.867 380 S HN 0.074 nan 8.310 nan 0.000 0.449 381 V N 2.344 122.003 119.914 -0.425 0.000 2.343 381 V HA -0.144 -4.229 4.120 -13.675 0.000 0.247 381 V C 2.427 178.022 176.094 -0.833 0.000 1.051 381 V CA 1.860 63.747 62.300 -0.688 0.000 1.036 381 V CB -0.756 30.426 31.823 -1.068 0.000 0.654 381 V HN 0.483 nan 8.190 nan 0.000 0.451 382 L N -0.417 120.403 121.223 -0.673 0.000 2.083 382 L HA -0.233 -4.099 4.340 -13.675 0.000 0.209 382 L C 2.627 179.396 176.870 -0.168 0.000 1.083 382 L CA 1.695 56.268 54.840 -0.445 0.000 0.752 382 L CB -0.597 41.314 42.059 -0.247 0.000 0.899 382 L HN 0.365 nan 8.230 nan 0.000 0.433 383 Q N 0.066 119.765 119.800 -0.169 0.000 2.124 383 Q HA -0.153 -4.018 4.340 -13.675 0.000 0.202 383 Q C 2.275 178.219 176.000 -0.094 0.000 0.977 383 Q CA 2.027 57.768 55.803 -0.103 0.000 0.850 383 Q CB -0.050 28.619 28.738 -0.114 0.000 0.901 383 Q HN 0.347 nan 8.270 nan 0.000 0.429 384 S N -0.432 115.204 115.700 -0.107 0.000 2.356 384 S HA -0.140 -3.875 4.470 -13.675 0.000 0.223 384 S C 1.295 176.023 174.600 0.213 0.000 1.032 384 S CA 1.176 59.359 58.200 -0.028 0.000 1.005 384 S CB -0.521 62.722 63.200 0.071 0.000 0.867 384 S HN 0.507 nan 8.310 nan 0.000 0.449 385 W N 2.647 124.028 121.300 0.134 0.000 2.333 385 W HA -0.132 -3.690 4.660 -13.697 0.000 0.316 385 W C 2.352 179.016 176.519 0.242 0.000 1.215 385 W CA 1.271 58.803 57.345 0.311 0.000 1.278 385 W CB -1.145 28.501 29.460 0.310 0.000 1.154 385 W HN 0.462 nan 8.180 nan 0.000 0.486 386 K N -0.326 120.282 120.400 0.347 0.000 2.217 386 K HA -0.092 -3.977 4.320 -13.675 0.000 0.202 386 K C 1.556 178.222 176.600 0.109 0.000 1.051 386 K CA 1.520 57.936 56.287 0.214 0.000 0.952 386 K CB -0.574 32.009 32.500 0.138 0.000 0.736 386 K HN -0.062 nan 8.250 nan 0.000 0.453 387 N N 0.889 119.580 118.700 -0.015 0.000 2.106 387 N HA -0.104 -3.569 4.740 -13.675 0.000 0.188 387 N C 1.396 176.804 175.510 -0.170 0.000 1.029 387 N CA 1.422 54.353 53.050 -0.199 0.000 0.848 387 N CB -0.399 37.815 38.487 -0.456 0.000 1.007 387 N HN 0.391 nan 8.380 nan 0.000 0.423 388 W N 1.524 122.872 121.300 0.079 0.000 2.381 388 W HA -0.072 -3.620 4.660 -13.679 0.000 0.301 388 W C 1.844 178.495 176.519 0.221 0.000 1.205 388 W CA 0.214 57.621 57.345 0.102 0.000 1.285 388 W CB -0.138 29.252 29.460 -0.118 0.000 1.133 388 W HN -0.001 nan 8.180 nan 0.000 0.521 389 D N -0.367 120.312 120.400 0.465 0.000 2.104 389 D HA -0.201 -3.766 4.640 -13.675 0.000 0.194 389 D C 2.191 178.622 176.300 0.218 0.000 0.994 389 D CA 1.835 56.034 54.000 0.332 0.000 0.830 389 D CB -0.939 40.028 40.800 0.279 0.000 0.959 389 D HN -0.019 nan 8.370 nan 0.000 0.452 390 S N -0.556 115.247 115.700 0.172 0.000 2.353 390 S HA -0.265 -4.000 4.470 -13.675 0.000 0.222 390 S C 1.977 176.646 174.600 0.116 0.000 1.035 390 S CA 1.796 60.059 58.200 0.106 0.000 1.025 390 S CB -0.342 62.892 63.200 0.058 0.000 0.902 390 S HN 0.360 nan 8.310 nan 0.000 0.440 391 H N 1.139 120.243 119.070 0.057 0.000 2.290 391 H HA -0.002 -3.652 4.556 -13.676 0.000 0.298 391 H C 2.002 177.413 175.328 0.138 0.000 1.087 391 H CA 2.323 58.415 56.048 0.073 0.000 1.291 391 H CB -0.642 29.171 29.762 0.085 0.000 1.369 391 H HN 0.375 nan 8.280 nan 0.000 0.492 392 L N -0.111 121.175 121.223 0.105 0.000 2.012 392 L HA -0.198 -4.063 4.340 -13.675 0.000 0.210 392 L C 2.691 179.544 176.870 -0.029 0.000 1.073 392 L CA 1.728 56.577 54.840 0.015 0.000 0.748 392 L CB -0.671 41.459 42.059 0.119 0.000 0.891 392 L HN 0.470 nan 8.230 nan 0.000 0.431 393 S N -2.296 113.417 115.700 0.021 0.000 2.515 393 S HA -0.044 -3.779 4.470 -13.675 0.000 0.231 393 S C 1.678 176.270 174.600 -0.013 0.000 0.987 393 S CA 0.892 59.099 58.200 0.013 0.000 0.936 393 S CB -0.012 63.211 63.200 0.039 0.000 0.766 393 S HN 0.291 nan 8.310 nan 0.000 0.528 394 S N 0.746 116.422 115.700 -0.039 0.000 2.540 394 S HA 0.416 -3.319 4.470 -13.675 0.000 0.218 394 S C 0.443 175.003 174.600 -0.068 0.000 0.977 394 S CA -0.511 57.664 58.200 -0.042 0.000 0.918 394 S CB -0.191 62.995 63.200 -0.023 0.000 0.806 394 S HN 0.485 nan 8.310 nan 0.000 0.496 395 I N 1.808 122.313 120.570 -0.108 0.000 2.618 395 I HA -0.007 -4.042 4.170 -13.675 0.000 0.284 395 I C 0.595 176.684 176.117 -0.047 0.000 1.146 395 I CA -0.247 60.999 61.300 -0.089 0.000 1.425 395 I CB 0.355 38.295 38.000 -0.101 0.000 1.383 395 I HN 0.177 nan 8.210 nan 0.000 0.562 396 c N 7.793 126.374 118.600 -0.031 0.000 2.383 396 c HA 0.285 -3.350 4.570 -13.675 0.000 0.350 396 c C 1.111 175.183 174.090 -0.029 0.000 1.173 396 c CA -0.587 55.727 56.329 -0.025 0.000 1.645 396 c CB -1.498 41.003 42.510 -0.015 0.000 2.221 396 c HN 0.868 nan 8.230 nan 0.000 0.528 397 T N 5.011 119.544 114.554 -0.035 0.000 2.868 397 T HA 0.424 -3.432 4.350 -13.675 0.000 0.292 397 T C -2.619 172.054 174.700 -0.045 0.000 1.028 397 T CA -1.369 60.704 62.100 -0.044 0.000 1.059 397 T CB 0.752 69.591 68.868 -0.049 0.000 0.991 397 T HN 0.520 nan 8.240 nan 0.000 0.531 398 P HA 0.298 nan 4.420 nan 0.000 0.265 398 P C 0.018 177.292 177.300 -0.044 0.000 1.193 398 P CA -0.119 62.948 63.100 -0.055 0.000 0.765 398 P CB 0.103 31.754 31.700 -0.082 0.000 0.823 410 c N 1.124 119.716 118.600 -0.014 0.000 2.712 410 c HA 0.852 -2.783 4.570 -13.675 0.000 0.308 410 c C 1.108 175.186 174.090 -0.019 0.000 1.201 410 c CA 0.090 56.408 56.329 -0.018 0.000 1.554 410 c CB 0.981 43.481 42.510 -0.017 0.000 2.117 410 c HN 1.016 nan 8.230 nan 0.000 0.480 411 G N 1.695 110.480 108.800 -0.025 0.000 2.508 411 G HA2 0.538 -3.707 3.960 -13.675 0.000 0.278 411 G HA3 0.538 -3.707 3.960 -13.675 0.000 0.278 411 G C -2.726 172.159 174.900 -0.025 0.000 1.389 411 G CA -0.529 44.556 45.100 -0.025 0.000 1.050 411 G HN 0.560 nan 8.290 nan 0.000 0.522 412 P HA 0.308 nan 4.420 nan 0.000 0.267 412 P C -0.022 177.260 177.300 -0.029 0.000 1.200 412 P CA -0.013 63.071 63.100 -0.027 0.000 0.772 412 P CB 0.551 32.232 31.700 -0.031 0.000 0.855 413 A N 2.953 125.758 122.820 -0.025 0.000 2.445 413 A HA 0.172 -3.713 4.320 -13.675 0.000 0.242 413 A C 0.149 177.719 177.584 -0.024 0.000 1.075 413 A CA -0.352 51.671 52.037 -0.023 0.000 0.777 413 A CB -0.226 18.765 19.000 -0.015 0.000 1.013 413 A HN 0.414 nan 8.150 nan 0.000 0.493 414 V N 2.353 122.255 119.914 -0.021 0.000 2.617 414 V HA 0.061 -4.025 4.120 -13.675 0.000 0.304 414 V C 1.298 177.398 176.094 0.010 0.000 1.040 414 V CA 0.770 63.064 62.300 -0.010 0.000 1.149 414 V CB 0.653 32.472 31.823 -0.005 0.000 0.914 414 V HN 0.968 nan 8.190 nan 0.000 0.487 415 T N 3.528 118.089 114.554 0.012 0.000 2.832 415 T HA 0.255 -3.600 4.350 -13.675 0.000 0.296 415 T C 0.975 175.756 174.700 0.135 0.000 0.968 415 T CA 0.163 62.282 62.100 0.033 0.000 1.107 415 T CB 0.744 69.588 68.868 -0.041 0.000 0.916 415 T HN 1.040 nan 8.240 nan 0.000 0.517 416 T N 1.552 116.163 114.554 0.096 0.000 3.044 416 T HA 0.252 -3.603 4.350 -13.675 0.000 0.260 416 T C 0.406 175.131 174.700 0.041 0.000 1.019 416 T CA -0.297 61.847 62.100 0.073 0.000 0.921 416 T CB 0.016 68.923 68.868 0.065 0.000 1.053 416 T HN 0.363 nan 8.240 nan 0.000 0.533 417 V N 2.444 122.398 119.914 0.065 0.000 2.446 417 V HA 0.518 -3.567 4.120 -13.675 0.000 0.276 417 V C 1.632 177.755 176.094 0.049 0.000 1.030 417 V CA 0.814 63.129 62.300 0.024 0.000 1.033 417 V CB -0.268 31.558 31.823 0.005 0.000 0.993 417 V HN 0.823 nan 8.190 nan 0.000 0.477 418 G N 4.454 113.225 108.800 -0.050 0.000 2.162 418 G HA2 -0.232 -4.477 3.960 -13.675 0.000 0.260 418 G HA3 -0.232 -4.477 3.960 -13.675 0.000 0.260 418 G C -0.084 174.684 174.900 -0.219 0.000 0.976 418 G CA 0.168 45.199 45.100 -0.114 0.000 0.655 418 G HN 0.794 nan 8.290 nan 0.000 0.533 419 L N 1.532 122.536 121.223 -0.365 0.000 2.407 419 L HA 0.615 -3.250 4.340 -13.675 0.000 0.282 419 L C 1.294 177.703 176.870 -0.768 0.000 1.110 419 L CA 0.252 54.596 54.840 -0.828 0.000 0.863 419 L CB 1.255 42.857 42.059 -0.761 0.000 1.207 419 L HN 0.008 nan 8.230 nan 0.000 0.454 420 V N 4.373 123.889 119.914 -0.664 0.000 2.795 420 V HA 0.421 -3.664 4.120 -13.675 0.000 0.243 420 V C 1.085 176.988 176.094 -0.318 0.000 1.069 420 V CA 0.873 62.866 62.300 -0.511 0.000 1.089 420 V CB 0.006 31.594 31.823 -0.392 0.000 0.756 420 V HN 0.864 nan 8.190 nan 0.000 0.471 421 G N -1.248 107.445 108.800 -0.179 0.000 2.659 421 G HA2 0.624 -3.621 3.960 -13.675 0.000 0.296 421 G HA3 0.624 -3.621 3.960 -13.675 0.000 0.296 421 G C -1.888 173.302 174.900 0.483 0.000 1.369 421 G CA -0.404 44.889 45.100 0.322 0.000 0.937 421 G HN 0.004 nan 8.290 nan 0.000 0.485 422 F N 1.845 121.991 119.950 0.328 0.000 2.787 422 F HA 0.483 -3.197 4.527 -13.678 0.000 0.340 422 F C -1.315 174.351 175.800 -0.223 0.000 1.232 422 F CA -1.108 56.917 58.000 0.041 0.000 1.051 422 F CB 1.276 40.319 39.000 0.072 0.000 1.330 422 F HN 0.277 nan 8.300 nan 0.000 0.522 423 L N 6.188 127.127 121.223 -0.473 0.000 2.265 423 L HA 0.532 -3.333 4.340 -13.675 0.000 0.289 423 L C 0.018 176.442 176.870 -0.744 0.000 1.033 423 L CA -0.129 54.092 54.840 -1.032 0.000 0.814 423 L CB 1.455 42.293 42.059 -2.036 0.000 1.203 423 L HN 0.648 nan 8.230 nan 0.000 0.423 424 S N 0.272 115.682 115.700 -0.483 0.000 4.297 424 S HA 0.135 -3.601 4.470 -13.675 0.000 0.226 424 S C 0.976 175.645 174.600 0.115 0.000 1.134 424 S CA -0.054 57.991 58.200 -0.258 0.000 1.591 424 S CB 0.167 62.851 63.200 -0.861 0.000 1.393 424 S HN 0.794 nan 8.310 nan 0.000 0.727 425 H N 1.288 120.299 119.070 -0.099 0.000 2.428 425 H HA 0.378 -3.271 4.556 -13.676 0.000 0.296 425 H C 0.818 176.142 175.328 -0.006 0.000 1.062 425 H CA 1.639 57.669 56.048 -0.030 0.000 1.350 425 H CB -0.195 29.539 29.762 -0.046 0.000 1.403 425 H HN 0.233 nan 8.280 nan 0.000 0.533 426 S N -0.126 115.601 115.700 0.046 0.000 2.528 426 S HA 0.588 -3.147 4.470 -13.675 0.000 0.277 426 S C -0.782 173.845 174.600 0.044 0.000 1.297 426 S CA -0.034 58.179 58.200 0.022 0.000 1.052 426 S CB 0.136 63.371 63.200 0.059 0.000 0.917 426 S HN 0.564 nan 8.310 nan 0.000 0.492 427 A N 3.670 126.467 122.820 -0.039 0.000 2.566 427 A HA 0.670 -3.215 4.320 -13.675 0.000 0.297 427 A C 0.025 177.578 177.584 -0.052 0.000 1.059 427 A CA -0.650 51.363 52.037 -0.040 0.000 0.691 427 A CB 1.147 20.020 19.000 -0.211 0.000 1.282 427 A HN 0.871 nan 8.150 nan 0.000 0.401 428 T N -0.989 113.558 114.554 -0.013 0.000 2.888 428 T HA 0.450 -3.405 4.350 -13.675 0.000 0.283 428 T C 1.107 175.788 174.700 -0.033 0.000 1.013 428 T CA 0.145 62.237 62.100 -0.014 0.000 0.938 428 T CB 0.729 69.607 68.868 0.017 0.000 1.298 428 T HN 0.625 nan 8.240 nan 0.000 0.580 429 K N 0.253 120.638 120.400 -0.024 0.000 2.211 429 K HA -0.038 -3.923 4.320 -13.675 0.000 0.203 429 K C 1.880 178.469 176.600 -0.018 0.000 1.050 429 K CA 2.177 58.445 56.287 -0.033 0.000 0.945 429 K CB -0.924 31.563 32.500 -0.021 0.000 0.732 429 K HN 0.844 nan 8.250 nan 0.000 0.451 430 T N -3.210 111.349 114.554 0.008 0.000 3.040 430 T HA 0.307 -3.548 4.350 -13.675 0.000 0.266 430 T C -0.098 174.638 174.700 0.060 0.000 1.005 430 T CA -0.642 61.477 62.100 0.031 0.000 0.906 430 T CB 0.224 69.113 68.868 0.035 0.000 1.082 430 T HN 0.083 nan 8.240 nan 0.000 0.531 431 E N 0.121 120.359 120.200 0.064 0.000 2.340 431 E HA 0.360 -3.495 4.350 -13.675 0.000 0.273 431 E C -1.897 174.796 176.600 0.155 0.000 0.891 431 E CA -0.918 55.551 56.400 0.116 0.000 0.757 431 E CB 1.808 31.574 29.700 0.110 0.000 1.231 431 E HN 0.212 nan 8.360 nan 0.000 0.439 432 W N 3.217 124.495 121.300 -0.037 0.000 2.314 432 W HA 0.252 -3.292 4.660 -13.672 0.000 0.310 432 W C -0.502 175.954 176.519 -0.105 0.000 1.075 432 W CA -0.971 56.318 57.345 -0.094 0.000 1.253 432 W CB 0.590 29.979 29.460 -0.118 0.000 1.238 432 W HN 0.498 nan 8.180 nan 0.000 0.440 433 E N 3.214 123.543 120.200 0.215 0.000 2.259 433 E HA -0.011 -3.866 4.350 -13.675 0.000 0.281 433 E C -0.541 176.036 176.600 -0.038 0.000 1.027 433 E CA -0.428 56.021 56.400 0.081 0.000 0.838 433 E CB 1.052 30.808 29.700 0.093 0.000 1.066 433 E HN 0.197 nan 8.360 nan 0.000 0.401 434 D N 2.093 122.523 120.400 0.049 0.000 2.401 434 D HA 0.030 -3.535 4.640 -13.675 0.000 0.254 434 D C 0.678 177.025 176.300 0.079 0.000 1.192 434 D CA 0.089 54.157 54.000 0.113 0.000 0.885 434 D CB 1.192 42.201 40.800 0.349 0.000 1.147 434 D HN 0.499 nan 8.370 nan 0.000 0.478 435 A N 3.944 126.706 122.820 -0.097 0.000 2.019 435 A HA -0.206 -4.091 4.320 -13.675 0.000 0.219 435 A C 1.484 179.016 177.584 -0.087 0.000 1.164 435 A CA 1.130 52.992 52.037 -0.292 0.000 0.644 435 A CB -0.686 17.762 19.000 -0.921 0.000 0.805 435 A HN 0.749 nan 8.150 nan 0.000 0.449 436 Y N -1.401 119.065 120.300 0.276 0.000 2.490 436 Y HA 0.177 -3.479 4.550 -13.677 0.000 0.281 436 Y C 1.023 177.272 175.900 0.582 0.000 1.174 436 Y CA 0.551 58.928 58.100 0.461 0.000 1.295 436 Y CB 0.050 38.648 38.460 0.229 0.000 1.062 436 Y HN 0.351 nan 8.280 nan 0.000 0.522 437 R N -2.942 117.857 120.500 0.499 0.000 3.951 437 R HA -0.260 -4.125 4.340 -13.675 0.000 0.352 437 R C 0.697 177.354 176.300 0.595 0.000 1.178 437 R CA 0.772 57.151 56.100 0.464 0.000 0.949 437 R CB -2.621 27.895 30.300 0.359 0.000 1.452 437 R HN 0.428 nan 8.270 nan 0.000 0.540 438 C N -0.991 118.654 119.300 0.575 0.000 2.469 438 C HA 0.242 -3.503 4.460 -13.675 0.000 0.309 438 C C 0.935 176.109 174.990 0.307 0.000 1.385 438 C CA 0.323 59.642 59.018 0.502 0.000 1.890 438 C CB 0.658 28.700 27.740 0.503 0.000 2.245 438 C HN 0.238 nan 8.230 nan 0.000 0.530 439 V N 3.066 123.182 119.914 0.336 0.000 2.462 439 V HA 0.340 -3.745 4.120 -13.675 0.000 0.288 439 V C -1.231 175.139 176.094 0.461 0.000 1.020 439 V CA -0.496 61.969 62.300 0.275 0.000 0.857 439 V CB 1.065 32.874 31.823 -0.024 0.000 1.013 439 V HN 0.365 nan 8.190 nan 0.000 0.431 440 N N 2.476 121.357 118.700 0.300 0.000 2.424 440 N HA 0.664 -2.801 4.740 -13.675 0.000 0.257 440 N C 0.130 175.785 175.510 0.241 0.000 1.250 440 N CA -0.146 53.039 53.050 0.224 0.000 0.946 440 N CB 1.555 40.141 38.487 0.165 0.000 1.175 440 N HN 0.828 nan 8.380 nan 0.000 0.477 441 A N 0.084 122.948 122.820 0.073 0.000 2.305 441 A HA 0.497 -3.388 4.320 -13.675 0.000 0.322 441 A C 0.189 177.885 177.584 0.188 0.000 1.187 441 A CA -0.691 51.424 52.037 0.130 0.000 0.825 441 A CB 0.142 19.119 19.000 -0.039 0.000 1.164 441 A HN 0.651 nan 8.150 nan 0.000 0.498 442 S N 1.415 117.223 115.700 0.181 0.000 2.580 442 S HA 0.610 -3.125 4.470 -13.675 0.000 0.274 442 S C 0.296 175.000 174.600 0.173 0.000 1.329 442 S CA 0.225 58.513 58.200 0.147 0.000 1.036 442 S CB 0.806 64.068 63.200 0.103 0.000 0.919 442 S HN 1.411 nan 8.310 nan 0.000 0.515 443 T N -2.058 112.586 114.554 0.151 0.000 2.901 443 T HA 0.844 -3.011 4.350 -13.675 0.000 0.293 443 T C -0.696 174.080 174.700 0.126 0.000 1.084 443 T CA -0.760 61.446 62.100 0.178 0.000 1.008 443 T CB 1.563 70.536 68.868 0.175 0.000 1.170 443 T HN 1.404 nan 8.240 nan 0.000 0.509 444 A N 1.542 124.456 122.820 0.157 0.000 2.520 444 A HA 0.733 -3.152 4.320 -13.675 0.000 0.298 444 A C -0.252 177.427 177.584 0.158 0.000 1.051 444 A CA -1.014 51.092 52.037 0.115 0.000 0.690 444 A CB 0.668 19.719 19.000 0.085 0.000 1.281 444 A HN 1.009 nan 8.150 nan 0.000 0.402 445 N N -1.151 117.604 118.700 0.091 0.000 2.725 445 N HA -0.161 -3.626 4.740 -13.675 0.000 0.251 445 N C -0.146 175.402 175.510 0.065 0.000 1.031 445 N CA 1.343 54.438 53.050 0.076 0.000 0.720 445 N CB -1.357 37.189 38.487 0.098 0.000 0.930 445 N HN 1.471 nan 8.380 nan 0.000 0.543 446 A N -0.222 122.579 122.820 -0.031 0.000 2.340 446 A HA 0.676 -3.209 4.320 -13.675 0.000 0.331 446 A C 0.024 177.441 177.584 -0.278 0.000 1.140 446 A CA -0.609 51.270 52.037 -0.264 0.000 0.801 446 A CB 1.635 20.411 19.000 -0.374 0.000 1.234 446 A HN 0.241 nan 8.150 nan 0.000 0.469 447 E N 1.587 121.567 120.200 -0.368 0.000 2.187 447 E HA 0.376 -3.479 4.350 -13.675 0.000 0.268 447 E C -0.621 175.760 176.600 -0.365 0.000 0.896 447 E CA -0.706 55.520 56.400 -0.290 0.000 0.766 447 E CB 0.990 30.559 29.700 -0.218 0.000 1.142 447 E HN 0.661 nan 8.360 nan 0.000 0.408 448 R N 2.019 122.334 120.500 -0.307 0.000 2.442 448 R HA 0.225 -3.640 4.340 -13.675 0.000 0.291 448 R C 0.043 176.183 176.300 -0.267 0.000 1.069 448 R CA -0.155 55.744 56.100 -0.335 0.000 1.022 448 R CB 0.753 30.875 30.300 -0.296 0.000 0.976 448 R HN 0.384 nan 8.270 nan 0.000 0.443 449 V N 0.467 120.221 119.914 -0.267 0.000 3.141 449 V HA 0.557 -3.528 4.120 -13.675 0.000 0.312 449 V C -2.637 173.409 176.094 -0.080 0.000 1.157 449 V CA -3.230 58.981 62.300 -0.148 0.000 1.041 449 V CB 1.974 33.729 31.823 -0.115 0.000 1.071 449 V HN 0.525 nan 8.190 nan 0.000 0.441 450 P HA 0.213 nan 4.420 nan 0.000 0.260 450 P C -0.061 177.360 177.300 0.203 0.000 1.185 450 P CA 0.767 63.994 63.100 0.211 0.000 0.763 450 P CB -0.118 31.656 31.700 0.125 0.000 0.776 451 N N 1.323 120.260 118.700 0.395 0.000 2.708 451 N HA -0.174 -3.639 4.740 -13.675 0.000 0.251 451 N C 0.560 176.178 175.510 0.181 0.000 1.123 451 N CA 1.770 54.962 53.050 0.236 0.000 0.739 451 N CB -1.388 37.203 38.487 0.173 0.000 1.113 451 N HN 0.709 nan 8.380 nan 0.000 0.561 452 G N -1.477 107.359 108.800 0.061 0.000 2.392 452 G HA2 0.537 -3.708 3.960 -13.675 0.000 0.260 452 G HA3 0.537 -3.708 3.960 -13.675 0.000 0.260 452 G C -1.814 172.821 174.900 -0.441 0.000 1.226 452 G CA -0.667 44.436 45.100 0.005 0.000 0.913 452 G HN 0.099 nan 8.290 nan 0.000 0.483 453 L N 0.234 121.060 121.223 -0.661 0.000 2.409 453 L HA 0.642 -3.223 4.340 -13.675 0.000 0.262 453 L C -0.484 175.898 176.870 -0.814 0.000 0.992 453 L CA -0.843 53.410 54.840 -0.978 0.000 0.817 453 L CB 2.671 43.745 42.059 -1.643 0.000 1.350 453 L HN 0.567 nan 8.230 nan 0.000 0.411 454 K N 2.076 122.044 120.400 -0.719 0.000 2.274 454 K HA 0.650 -3.235 4.320 -13.675 0.000 0.262 454 K C -1.642 174.660 176.600 -0.497 0.000 0.961 454 K CA -0.351 55.688 56.287 -0.413 0.000 0.833 454 K CB 1.023 33.399 32.500 -0.206 0.000 1.102 454 K HN 0.290 nan 8.250 nan 0.000 0.436 455 F N 1.897 121.839 119.950 -0.014 0.000 2.538 455 F HA 0.757 -2.922 4.527 -13.676 0.000 0.325 455 F C 0.100 175.916 175.800 0.028 0.000 1.066 455 F CA -0.735 57.257 58.000 -0.013 0.000 0.946 455 F CB 2.354 41.353 39.000 -0.002 0.000 1.199 455 F HN 0.581 nan 8.300 nan 0.000 0.473 456 A N 0.877 123.826 122.820 0.214 0.000 2.612 456 A HA 0.821 -3.064 4.320 -13.675 0.000 0.293 456 A C -0.442 177.207 177.584 0.109 0.000 1.075 456 A CA -0.303 51.818 52.037 0.140 0.000 0.680 456 A CB 1.229 20.283 19.000 0.090 0.000 1.279 456 A HN 1.890 nan 8.150 nan 0.000 0.411 457 G N -1.027 107.824 108.800 0.086 0.000 2.712 457 G HA2 0.313 -3.932 3.960 -13.675 0.000 0.686 457 G HA3 0.313 -3.932 3.960 -13.675 0.000 0.686 457 G C -0.395 174.542 174.900 0.062 0.000 1.321 457 G CA -0.484 44.654 45.100 0.064 0.000 0.813 457 G HN 1.817 nan 8.290 nan 0.000 0.599 458 V N 1.983 121.926 119.914 0.050 0.000 2.673 458 V HA 0.413 -3.672 4.120 -13.675 0.000 0.303 458 V C 1.989 178.113 176.094 0.050 0.000 1.046 458 V CA 2.310 64.639 62.300 0.049 0.000 1.126 458 V CB 0.627 32.472 31.823 0.037 0.000 0.934 458 V HN 2.838 nan 8.190 nan 0.000 0.487 459 G N 3.610 112.444 108.800 0.058 0.000 2.195 459 G HA2 -0.151 -4.396 3.960 -13.675 0.000 0.246 459 G HA3 -0.151 -4.396 3.960 -13.675 0.000 0.246 459 G C 0.541 175.479 174.900 0.064 0.000 0.984 459 G CA -0.083 45.051 45.100 0.055 0.000 0.633 459 G HN 1.357 nan 8.290 nan 0.000 0.525 460 G N -0.392 108.449 108.800 0.068 0.000 2.507 460 G HA2 0.810 -3.435 3.960 -13.675 0.000 0.271 460 G HA3 0.810 -3.435 3.960 -13.675 0.000 0.271 460 G C 0.611 175.505 174.900 -0.009 0.000 1.189 460 G CA 0.995 46.147 45.100 0.088 0.000 0.859 460 G HN 1.872 nan 8.290 nan 0.000 0.542 461 G N -1.245 107.507 108.800 -0.080 0.000 2.334 461 G HA2 0.548 -3.698 3.960 -13.675 0.000 0.315 461 G HA3 0.548 -3.697 3.960 -13.675 0.000 0.315 461 G C -0.757 173.975 174.900 -0.280 0.000 1.284 461 G CA -0.017 44.734 45.100 -0.582 0.000 0.985 461 G HN 1.973 nan 8.290 nan 0.000 0.504 462 A N -0.950 121.739 122.820 -0.218 0.000 2.435 462 A HA 0.888 -2.998 4.320 -13.675 0.000 0.304 462 A C -0.937 176.768 177.584 0.202 0.000 1.064 462 A CA -0.350 51.777 52.037 0.150 0.000 0.727 462 A CB 1.912 21.177 19.000 0.441 0.000 1.284 462 A HN 1.957 nan 8.150 nan 0.000 0.415 463 L N 1.719 123.079 121.223 0.227 0.000 2.343 463 L HA 0.593 -3.272 4.340 -13.675 0.000 0.278 463 L C -1.690 175.396 176.870 0.360 0.000 0.996 463 L CA -0.431 54.566 54.840 0.262 0.000 0.831 463 L CB 0.988 43.092 42.059 0.076 0.000 1.232 463 L HN 0.798 nan 8.230 nan 0.000 0.413 464 W N 9.152 130.602 121.300 0.250 0.000 2.282 464 W HA 0.452 -3.089 4.660 -13.669 0.000 0.322 464 W C -2.318 174.344 176.519 0.238 0.000 1.011 464 W CA -2.892 54.608 57.345 0.257 0.000 1.392 464 W CB 0.838 30.489 29.460 0.319 0.000 1.215 464 W HN 0.310 nan 8.180 nan 0.000 0.394 465 P HA 0.055 nan 4.420 nan 0.000 0.271 465 P C -0.018 177.261 177.300 -0.034 0.000 1.216 465 P CA 0.332 63.502 63.100 0.117 0.000 0.776 465 P CB 2.394 34.133 31.700 0.064 0.000 0.881 466 V N 2.461 122.309 119.914 -0.110 0.000 4.566 466 V HA -0.034 -4.120 4.120 -13.675 0.000 0.178 466 V C 2.513 178.509 176.094 -0.164 0.000 1.015 466 V CA 1.345 63.514 62.300 -0.219 0.000 1.443 466 V CB -1.165 30.390 31.823 -0.447 0.000 2.066 466 V HN 0.622 nan 8.190 nan 0.000 0.437 467 S N -0.112 115.500 115.700 -0.146 0.000 2.442 467 S HA -0.211 -3.946 4.470 -13.675 0.000 0.236 467 S C 1.639 176.204 174.600 -0.059 0.000 1.007 467 S CA 1.208 59.355 58.200 -0.090 0.000 0.965 467 S CB -0.453 62.702 63.200 -0.075 0.000 0.773 467 S HN 0.555 nan 8.310 nan 0.000 0.504 468 Q N 1.122 120.896 119.800 -0.043 0.000 2.500 468 Q HA -0.004 -3.869 4.340 -13.675 0.000 0.213 468 Q C 1.937 177.920 176.000 -0.027 0.000 0.974 468 Q CA 0.750 56.538 55.803 -0.024 0.000 0.918 468 Q CB -0.466 28.264 28.738 -0.012 0.000 0.980 468 Q HN 0.777 nan 8.270 nan 0.000 0.505 469 Q N -0.382 119.387 119.800 -0.052 0.000 2.291 469 Q HA -0.055 -3.920 4.340 -13.675 0.000 0.206 469 Q C 1.022 177.013 176.000 -0.015 0.000 0.976 469 Q CA 0.729 56.503 55.803 -0.047 0.000 0.875 469 Q CB 0.057 28.730 28.738 -0.109 0.000 0.927 469 Q HN 0.481 nan 8.270 nan 0.000 0.450 470 G N 0.685 109.471 108.800 -0.023 0.000 2.603 470 G HA2 -0.440 -4.685 3.960 -13.675 0.000 0.245 470 G HA3 -0.440 -4.685 3.960 -13.675 0.000 0.245 470 G C 0.404 175.302 174.900 -0.003 0.000 1.195 470 G CA 0.277 45.372 45.100 -0.008 0.000 0.953 470 G HN 0.332 nan 8.290 nan 0.000 0.566 471 Q N 0.653 120.473 119.800 0.034 0.000 2.061 471 Q HA -0.050 -3.915 4.340 -13.675 0.000 0.204 471 Q C 0.820 176.825 176.000 0.008 0.000 0.984 471 Q CA 1.894 57.726 55.803 0.048 0.000 0.846 471 Q CB -0.199 28.616 28.738 0.129 0.000 0.902 471 Q HN 0.617 nan 8.270 nan 0.000 0.421 472 N N 0.840 119.552 118.700 0.020 0.000 2.446 472 N HA 0.206 -3.259 4.740 -13.675 0.000 0.265 472 N C -1.663 173.746 175.510 -0.168 0.000 0.975 472 N CA -0.209 52.776 53.050 -0.108 0.000 0.928 472 N CB 1.595 40.088 38.487 0.011 0.000 1.160 472 N HN 0.096 nan 8.380 nan 0.000 0.495 473 Q N 1.829 121.462 119.800 -0.279 0.000 2.560 473 Q HA 0.250 -3.615 4.340 -13.675 0.000 0.238 473 Q C 0.405 176.236 176.000 -0.281 0.000 1.079 473 Q CA -0.308 55.359 55.803 -0.226 0.000 0.866 473 Q CB 1.114 29.772 28.738 -0.134 0.000 1.153 473 Q HN 0.471 nan 8.270 nan 0.000 0.530 474 R N 0.490 120.819 120.500 -0.286 0.000 2.189 474 R HA -0.065 -3.930 4.340 -13.675 0.000 0.223 474 R C 0.624 176.949 176.300 0.043 0.000 1.092 474 R CA 1.115 57.089 56.100 -0.210 0.000 0.989 474 R CB 0.307 30.504 30.300 -0.172 0.000 0.876 474 R HN 0.579 nan 8.270 nan 0.000 0.457 475 Y N -0.653 119.474 120.300 -0.288 0.000 2.658 475 Y HA 0.074 -3.577 4.550 -13.669 0.000 0.276 475 Y C 1.807 177.231 175.900 -0.794 0.000 1.167 475 Y CA -0.655 57.050 58.100 -0.658 0.000 1.230 475 Y CB 0.194 38.292 38.460 -0.604 0.000 1.144 475 Y HN 0.209 nan 8.280 nan 0.000 0.529 476 H N 1.210 120.081 119.070 -0.331 0.000 2.457 476 H HA -0.215 -3.861 4.556 -13.669 0.000 0.297 476 H C 1.810 177.033 175.328 -0.175 0.000 1.092 476 H CA 1.971 57.870 56.048 -0.248 0.000 1.309 476 H CB -0.138 29.515 29.762 -0.181 0.000 1.382 476 H HN 0.617 nan 8.280 nan 0.000 0.535 477 F N 0.127 120.113 119.950 0.060 0.000 2.236 477 F HA -0.117 -3.803 4.527 -13.689 0.000 0.302 477 F C 2.518 178.366 175.800 0.080 0.000 1.073 477 F CA 0.916 58.965 58.000 0.080 0.000 1.336 477 F CB -0.799 38.209 39.000 0.012 0.000 1.040 477 F HN 0.099 nan 8.300 nan 0.000 0.507 478 A N 1.193 123.688 122.820 -0.541 0.000 2.070 478 A HA -0.169 -4.054 4.320 -13.675 0.000 0.220 478 A C 1.979 179.564 177.584 0.003 0.000 1.159 478 A CA 1.497 53.437 52.037 -0.161 0.000 0.656 478 A CB -0.880 17.821 19.000 -0.498 0.000 0.800 478 A HN 0.539 nan 8.150 nan 0.000 0.453 479 N N -0.445 118.109 118.700 -0.243 0.000 2.443 479 N HA -0.120 -3.585 4.740 -13.675 0.000 0.184 479 N C 1.206 176.469 175.510 -0.412 0.000 1.037 479 N CA 1.241 54.078 53.050 -0.355 0.000 0.896 479 N CB -0.316 37.818 38.487 -0.589 0.000 0.959 479 N HN 0.689 nan 8.380 nan 0.000 0.442 480 H N -0.546 118.537 119.070 0.021 0.000 2.422 480 H HA 0.459 -3.192 4.556 -13.678 0.000 0.303 480 H C 0.484 175.860 175.328 0.081 0.000 1.033 480 H CA 0.610 56.692 56.048 0.056 0.000 1.335 480 H CB 0.822 30.622 29.762 0.064 0.000 1.458 480 H HN 0.077 nan 8.280 nan 0.000 0.556 481 A N 0.584 123.569 122.820 0.275 0.000 2.594 481 A HA 0.497 -3.388 4.320 -13.675 0.000 0.296 481 A C -1.705 176.091 177.584 0.353 0.000 1.061 481 A CA -0.614 51.530 52.037 0.178 0.000 0.689 481 A CB 1.108 20.168 19.000 0.101 0.000 1.280 481 A HN 0.234 nan 8.150 nan 0.000 0.406 482 F N -1.274 118.750 119.950 0.123 0.000 2.713 482 F HA 0.867 -2.811 4.527 -13.674 0.000 0.311 482 F C -0.787 175.038 175.800 0.042 0.000 1.141 482 F CA -0.663 57.417 58.000 0.133 0.000 0.939 482 F CB 1.330 40.435 39.000 0.175 0.000 1.325 482 F HN 0.437 nan 8.300 nan 0.000 0.453 483 T N 3.030 117.725 114.554 0.236 0.000 2.841 483 T HA 0.637 -3.218 4.350 -13.675 0.000 0.285 483 T C -1.790 173.060 174.700 0.251 0.000 0.991 483 T CA -0.384 61.788 62.100 0.120 0.000 0.966 483 T CB 1.555 70.404 68.868 -0.031 0.000 0.962 483 T HN 0.783 nan 8.240 nan 0.000 0.438 484 L N 4.707 126.047 121.223 0.195 0.000 2.356 484 L HA 0.825 -3.041 4.340 -13.675 0.000 0.277 484 L C -1.278 175.592 176.870 -0.001 0.000 0.996 484 L CA -0.518 54.333 54.840 0.018 0.000 0.822 484 L CB 1.492 43.470 42.059 -0.135 0.000 1.256 484 L HN 0.477 nan 8.230 nan 0.000 0.413 485 V N 4.091 124.001 119.914 -0.007 0.000 2.656 485 V HA 1.009 -3.076 4.120 -13.675 0.000 0.307 485 V C -0.289 175.765 176.094 -0.067 0.000 1.051 485 V CA -0.150 62.111 62.300 -0.065 0.000 0.893 485 V CB 1.334 33.166 31.823 0.015 0.000 0.999 485 V HN 1.019 nan 8.190 nan 0.000 0.426 486 A N 2.704 125.434 122.820 -0.149 0.000 2.612 486 A HA 0.852 -3.033 4.320 -13.675 0.000 0.293 486 A C -0.754 176.799 177.584 -0.052 0.000 1.075 486 A CA -0.564 51.446 52.037 -0.045 0.000 0.680 486 A CB 1.919 20.921 19.000 0.004 0.000 1.279 486 A HN 0.651 nan 8.150 nan 0.000 0.411 487 S N 0.008 115.759 115.700 0.086 0.000 2.489 487 S HA 0.695 -3.041 4.470 -13.675 0.000 0.291 487 S C -0.148 174.530 174.600 0.131 0.000 1.151 487 S CA -0.225 58.060 58.200 0.141 0.000 1.082 487 S CB 1.228 64.546 63.200 0.197 0.000 1.019 487 S HN 1.810 nan 8.310 nan 0.000 0.492 488 V N 0.604 120.598 119.914 0.133 0.000 2.876 488 V HA 0.916 -3.169 4.120 -13.675 0.000 0.312 488 V C -0.679 175.471 176.094 0.094 0.000 1.085 488 V CA -0.512 61.849 62.300 0.101 0.000 0.945 488 V CB 1.962 33.824 31.823 0.066 0.000 1.017 488 V HN 0.709 nan 8.190 nan 0.000 0.428 489 T N 4.590 119.124 114.554 -0.033 0.000 2.921 489 T HA 0.670 -3.185 4.350 -13.675 0.000 0.297 489 T C -0.624 173.817 174.700 -0.432 0.000 1.013 489 T CA -0.167 61.851 62.100 -0.137 0.000 0.990 489 T CB 1.423 70.222 68.868 -0.114 0.000 1.023 489 T HN 0.717 nan 8.240 nan 0.000 0.447 490 I N 3.104 123.414 120.570 -0.433 0.000 2.359 490 I HA 0.324 -3.711 4.170 -13.675 0.000 0.294 490 I C 0.942 176.836 176.117 -0.373 0.000 0.987 490 I CA -0.666 60.277 61.300 -0.594 0.000 1.225 490 I CB 1.170 38.591 38.000 -0.965 0.000 1.366 490 I HN 0.753 nan 8.210 nan 0.000 0.466 491 H N 3.964 123.023 119.070 -0.018 0.000 2.639 491 H HA 0.356 -3.294 4.556 -13.675 0.000 0.267 491 H C -0.177 175.206 175.328 0.091 0.000 0.958 491 H CA 0.385 56.463 56.048 0.050 0.000 1.221 491 H CB 0.685 30.470 29.762 0.038 0.000 1.446 491 H HN 0.555 nan 8.280 nan 0.000 0.512 492 E N 0.631 120.948 120.200 0.194 0.000 2.331 492 E HA 0.303 -3.552 4.350 -13.675 0.000 0.275 492 E C -0.894 175.847 176.600 0.235 0.000 0.895 492 E CA -0.663 55.856 56.400 0.197 0.000 0.753 492 E CB 3.607 33.406 29.700 0.165 0.000 1.216 492 E HN -0.188 nan 8.360 nan 0.000 0.434 493 V N 3.997 124.048 119.914 0.228 0.000 2.572 493 V HA 0.128 -3.957 4.120 -13.675 0.000 0.291 493 V C -1.706 174.484 176.094 0.161 0.000 1.039 493 V CA -0.880 61.551 62.300 0.219 0.000 1.055 493 V CB -0.077 31.794 31.823 0.080 0.000 0.969 493 V HN 0.574 nan 8.190 nan 0.000 0.482 494 P HA 0.329 nan 4.420 nan 0.000 0.278 494 P C 0.166 177.478 177.300 0.020 0.000 1.258 494 P CA -0.682 62.448 63.100 0.050 0.000 0.811 494 P CB 1.237 32.880 31.700 -0.095 0.000 1.063 495 K N -0.139 120.264 120.400 0.005 0.000 2.296 495 K HA 0.076 -3.809 4.320 -13.675 0.000 0.200 495 K C 1.448 178.042 176.600 -0.011 0.000 1.048 495 K CA 1.315 57.605 56.287 0.004 0.000 0.966 495 K CB -0.118 32.386 32.500 0.007 0.000 0.754 495 K HN 0.650 nan 8.250 nan 0.000 0.466 496 G N 0.237 109.016 108.800 -0.036 0.000 2.825 496 G HA2 0.537 -3.708 3.960 -13.675 0.000 0.191 496 G HA3 0.537 -3.708 3.960 -13.675 0.000 0.191 496 G C -1.343 173.516 174.900 -0.067 0.000 1.708 496 G CA 0.097 45.174 45.100 -0.039 0.000 0.813 496 G HN 0.186 nan 8.290 nan 0.000 0.799 497 A N -0.298 122.466 122.820 -0.094 0.000 2.374 497 A HA 0.809 -3.076 4.320 -13.675 0.000 0.305 497 A C -0.729 176.715 177.584 -0.233 0.000 1.053 497 A CA -0.266 51.679 52.037 -0.154 0.000 0.726 497 A CB 1.745 20.706 19.000 -0.065 0.000 1.229 497 A HN 0.662 nan 8.150 nan 0.000 0.431 498 S N 2.883 118.287 115.700 -0.493 0.000 2.542 498 S HA 0.796 -2.939 4.470 -13.675 0.000 0.293 498 S C -2.918 171.419 174.600 -0.438 0.000 1.089 498 S CA -1.164 56.738 58.200 -0.495 0.000 0.961 498 S CB 2.117 64.920 63.200 -0.662 0.000 1.062 498 S HN 0.669 nan 8.310 nan 0.000 0.483 499 P HA 0.326 nan 4.420 nan 0.000 0.278 499 P C -0.176 177.156 177.300 0.053 0.000 1.238 499 P CA -0.414 62.554 63.100 -0.220 0.000 0.794 499 P CB 1.201 32.428 31.700 -0.789 0.000 0.955 500 L N 1.534 122.871 121.223 0.191 0.000 2.600 500 L HA 0.343 -3.522 4.340 -13.675 0.000 0.213 500 L C 0.278 177.196 176.870 0.081 0.000 1.045 500 L CA 0.301 55.235 54.840 0.157 0.000 0.863 500 L CB 0.425 42.575 42.059 0.152 0.000 1.189 500 L HN 0.276 nan 8.230 nan 0.000 0.484 501 L N -0.755 120.490 121.223 0.037 0.000 2.592 501 L HA 0.719 -3.146 4.340 -13.675 0.000 0.258 501 L C -1.019 175.582 176.870 -0.448 0.000 0.926 501 L CA 0.084 54.808 54.840 -0.193 0.000 0.885 501 L CB 1.930 43.924 42.059 -0.108 0.000 1.380 501 L HN 0.015 nan 8.230 nan 0.000 0.415 502 G N 2.221 110.456 108.800 -0.943 0.000 2.356 502 G HA2 0.682 -3.563 3.960 -13.675 0.000 0.294 502 G HA3 0.682 -3.563 3.960 -13.675 0.000 0.294 502 G C -2.064 172.532 174.900 -0.506 0.000 1.423 502 G CA -0.168 44.515 45.100 -0.695 0.000 0.806 502 G HN 0.946 nan 8.290 nan 0.000 0.527 503 A N 0.091 122.856 122.820 -0.092 0.000 2.258 503 A HA 0.793 -3.092 4.320 -13.675 0.000 0.316 503 A C 0.264 177.808 177.584 -0.066 0.000 1.279 503 A CA 0.038 52.001 52.037 -0.124 0.000 0.876 503 A CB 1.160 20.100 19.000 -0.100 0.000 1.170 503 A HN 1.547 nan 8.150 nan 0.000 0.520 504 S N 2.076 117.656 115.700 -0.200 0.000 2.508 504 S HA 0.487 -3.248 4.470 -13.675 0.000 0.284 504 S C 0.960 175.420 174.600 -0.233 0.000 1.192 504 S CA -0.672 57.422 58.200 -0.177 0.000 1.070 504 S CB 0.411 63.372 63.200 -0.399 0.000 1.004 504 S HN 0.589 nan 8.310 nan 0.000 0.493 505 L N 2.596 123.744 121.223 -0.125 0.000 2.209 505 L HA 0.165 -3.700 4.340 -13.675 0.000 0.207 505 L C 0.994 177.815 176.870 -0.080 0.000 1.094 505 L CA 0.439 55.214 54.840 -0.107 0.000 0.790 505 L CB -0.169 41.848 42.059 -0.070 0.000 0.932 505 L HN 0.696 nan 8.230 nan 0.000 0.447 506 D N -2.329 118.036 120.400 -0.058 0.000 2.506 506 D HA 0.107 -3.458 4.640 -13.675 0.000 0.254 506 D C 0.612 176.949 176.300 0.062 0.000 1.089 506 D CA -0.491 53.498 54.000 -0.018 0.000 1.050 506 D CB 1.462 42.241 40.800 -0.035 0.000 1.221 506 D HN -0.289 nan 8.370 nan 0.000 0.589 507 S N -0.837 114.897 115.700 0.056 0.000 2.453 507 S HA -0.111 -3.846 4.470 -13.675 0.000 0.231 507 S C 1.821 176.474 174.600 0.088 0.000 1.005 507 S CA 1.196 59.449 58.200 0.088 0.000 0.949 507 S CB -0.276 62.926 63.200 0.003 0.000 0.774 507 S HN 0.633 nan 8.310 nan 0.000 0.510 508 S N 0.326 116.030 115.700 0.007 0.000 2.406 508 S HA 0.311 -3.424 4.470 -13.675 0.000 0.224 508 S C 1.722 176.206 174.600 -0.194 0.000 1.030 508 S CA 0.975 59.109 58.200 -0.110 0.000 0.958 508 S CB -0.224 62.870 63.200 -0.176 0.000 0.811 508 S HN 0.707 nan 8.310 nan 0.000 0.489 509 G N 0.205 108.925 108.800 -0.134 0.000 2.195 509 G HA2 -0.164 -4.409 3.960 -13.675 0.000 0.224 509 G HA3 -0.164 -4.409 3.960 -13.675 0.000 0.224 509 G C 0.986 175.662 174.900 -0.374 0.000 0.990 509 G CA 0.161 45.095 45.100 -0.277 0.000 0.639 509 G HN 1.013 nan 8.290 nan 0.000 0.514 510 G N 0.043 108.633 108.800 -0.350 0.000 2.421 510 G HA2 0.141 -4.104 3.960 -13.675 0.000 0.217 510 G HA3 0.141 -4.104 3.960 -13.675 0.000 0.217 510 G C 0.784 175.613 174.900 -0.118 0.000 1.143 510 G CA 1.272 46.220 45.100 -0.253 0.000 0.784 510 G HN 0.607 nan 8.290 nan 0.000 0.541 511 K N 1.079 121.423 120.400 -0.092 0.000 2.354 511 K HA 0.340 -3.545 4.320 -13.675 0.000 0.257 511 K C -0.539 176.045 176.600 -0.027 0.000 1.062 511 K CA -0.413 55.844 56.287 -0.049 0.000 0.971 511 K CB 0.300 32.771 32.500 -0.049 0.000 1.305 511 K HN 0.019 nan 8.250 nan 0.000 0.449 512 K N 3.461 123.866 120.400 0.009 0.000 2.110 512 K HA 0.154 -3.731 4.320 -13.675 0.000 0.263 512 K C 0.701 177.323 176.600 0.038 0.000 0.975 512 K CA -0.657 55.662 56.287 0.053 0.000 0.895 512 K CB 1.595 34.161 32.500 0.110 0.000 1.060 512 K HN 0.333 nan 8.250 nan 0.000 0.448 513 L N 2.629 123.876 121.223 0.041 0.000 2.034 513 L HA 0.183 -3.682 4.340 -13.675 0.000 0.203 513 L C -0.291 176.633 176.870 0.089 0.000 1.074 513 L CA 1.526 56.400 54.840 0.056 0.000 0.748 513 L CB 0.170 42.260 42.059 0.052 0.000 0.905 513 L HN 0.557 nan 8.230 nan 0.000 0.439 514 L N -0.430 120.859 121.223 0.110 0.000 2.588 514 L HA 0.737 -3.128 4.340 -13.675 0.000 0.263 514 L C -0.681 176.227 176.870 0.063 0.000 0.935 514 L CA 0.421 55.309 54.840 0.079 0.000 0.891 514 L CB 1.377 43.529 42.059 0.155 0.000 1.318 514 L HN 0.163 nan 8.230 nan 0.000 0.409 515 G N 3.052 111.841 108.800 -0.019 0.000 2.682 515 G HA2 0.628 -3.617 3.960 -13.675 0.000 0.290 515 G HA3 0.628 -3.617 3.960 -13.675 0.000 0.290 515 G C -2.556 172.314 174.900 -0.050 0.000 1.425 515 G CA -0.690 44.420 45.100 0.018 0.000 0.807 515 G HN 0.697 nan 8.290 nan 0.000 0.482 516 L N 0.597 121.820 121.223 -0.000 0.000 2.406 516 L HA 0.811 -3.054 4.340 -13.675 0.000 0.272 516 L C -0.162 176.779 176.870 0.118 0.000 0.980 516 L CA -0.268 54.573 54.840 0.001 0.000 0.831 516 L CB 1.772 43.776 42.059 -0.092 0.000 1.253 516 L HN 0.523 nan 8.230 nan 0.000 0.406 517 S N 2.841 118.630 115.700 0.148 0.000 2.726 517 S HA 0.813 -2.922 4.470 -13.675 0.000 0.308 517 S C -1.452 173.323 174.600 0.292 0.000 1.115 517 S CA -0.323 57.970 58.200 0.156 0.000 0.965 517 S CB 1.592 64.815 63.200 0.037 0.000 1.145 517 S HN 0.572 nan 8.310 nan 0.000 0.532 518 Y N -0.377 119.961 120.300 0.063 0.000 2.562 518 Y HA 0.804 -2.852 4.550 -13.676 0.000 0.345 518 Y C -1.094 174.856 175.900 0.083 0.000 1.045 518 Y CA -1.236 56.879 58.100 0.025 0.000 1.028 518 Y CB 0.938 39.147 38.460 -0.419 0.000 1.297 518 Y HN 0.665 nan 8.280 nan 0.000 0.463 519 D N 0.010 120.561 120.400 0.253 0.000 2.614 519 D HA 0.229 -3.336 4.640 -13.675 0.000 0.264 519 D C 0.213 176.595 176.300 0.137 0.000 1.092 519 D CA -1.031 53.026 54.000 0.096 0.000 1.071 519 D CB 1.464 42.300 40.800 0.059 0.000 1.443 519 D HN 0.726 nan 8.370 nan 0.000 0.528 520 K N -0.487 119.929 120.400 0.027 0.000 2.442 520 K HA -0.027 -3.912 4.320 -13.675 0.000 0.198 520 K C 0.761 177.331 176.600 -0.050 0.000 1.042 520 K CA 0.620 56.902 56.287 -0.008 0.000 0.958 520 K CB -0.034 32.466 32.500 -0.000 0.000 0.766 520 K HN 0.252 nan 8.250 nan 0.000 0.474 521 R N 0.434 120.911 120.500 -0.039 0.000 2.515 521 R HA 0.096 -3.769 4.340 -13.675 0.000 0.294 521 R C -0.687 175.548 176.300 -0.108 0.000 1.021 521 R CA -0.157 55.925 56.100 -0.031 0.000 1.081 521 R CB -0.254 30.037 30.300 -0.016 0.000 1.263 521 R HN 0.371 nan 8.270 nan 0.000 0.557 522 H N -0.312 118.495 119.070 -0.439 0.000 2.820 522 H HA -0.189 -3.838 4.556 -13.675 0.000 0.295 522 H C -0.496 174.259 175.328 -0.955 0.000 1.187 522 H CA 0.883 56.209 56.048 -1.203 0.000 1.144 522 H CB -1.307 27.783 29.762 -1.119 0.000 1.354 522 H HN 0.366 nan 8.280 nan 0.000 0.395 523 Q N -0.867 118.821 119.800 -0.187 0.000 2.351 523 Q HA 0.367 -3.498 4.340 -13.675 0.000 0.273 523 Q C -0.205 175.947 176.000 0.254 0.000 1.077 523 Q CA -0.965 54.829 55.803 -0.015 0.000 0.843 523 Q CB 1.683 30.447 28.738 0.042 0.000 1.367 523 Q HN 0.314 nan 8.270 nan 0.000 0.449 524 W N 1.016 122.510 121.300 0.322 0.000 2.313 524 W HA 0.263 -3.281 4.660 -13.674 0.000 0.328 524 W C 0.155 176.743 176.519 0.115 0.000 1.197 524 W CA -0.386 57.076 57.345 0.195 0.000 1.235 524 W CB 0.844 30.361 29.460 0.095 0.000 1.158 524 W HN 0.284 nan 8.180 nan 0.000 0.578 525 Q N 4.069 124.079 119.800 0.351 0.000 2.607 525 Q HA 0.204 -3.661 4.340 -13.675 0.000 0.247 525 Q C -2.299 173.753 176.000 0.086 0.000 1.033 525 Q CA -1.942 53.967 55.803 0.176 0.000 0.769 525 Q CB 1.462 30.271 28.738 0.118 0.000 1.169 525 Q HN 0.033 nan 8.270 nan 0.000 0.508 526 P HA 0.186 nan 4.420 nan 0.000 0.276 526 P C -0.565 176.517 177.300 -0.364 0.000 1.230 526 P CA -0.015 62.959 63.100 -0.210 0.000 0.776 526 P CB 1.047 32.618 31.700 -0.214 0.000 0.888 527 I N 3.948 124.246 120.570 -0.454 0.000 2.410 527 I HA 0.281 -3.754 4.170 -13.675 0.000 0.286 527 I C -0.417 175.434 176.117 -0.444 0.000 1.009 527 I CA -0.811 60.307 61.300 -0.304 0.000 1.111 527 I CB 1.121 39.074 38.000 -0.079 0.000 1.262 527 I HN 0.245 nan 8.210 nan 0.000 0.443 528 Y N 5.200 125.520 120.300 0.034 0.000 2.491 528 Y HA 0.569 -3.087 4.550 -13.676 0.000 0.334 528 Y C 1.215 177.127 175.900 0.021 0.000 0.969 528 Y CA -0.333 57.779 58.100 0.021 0.000 1.241 528 Y CB 1.039 39.500 38.460 0.002 0.000 1.105 528 Y HN 0.883 nan 8.280 nan 0.000 0.503 529 G N 1.555 110.424 108.800 0.115 0.000 2.652 529 G HA2 -0.351 -4.596 3.960 -13.675 0.000 0.318 529 G HA3 -0.351 -4.596 3.960 -13.675 0.000 0.318 529 G C 0.944 175.879 174.900 0.058 0.000 1.295 529 G CA 0.619 45.764 45.100 0.074 0.000 0.999 529 G HN 0.508 nan 8.290 nan 0.000 0.548 530 S N 0.993 116.722 115.700 0.048 0.000 2.572 530 S HA 0.367 -3.368 4.470 -13.675 0.000 0.228 530 S C 0.842 175.469 174.600 0.044 0.000 0.963 530 S CA 0.763 58.983 58.200 0.035 0.000 0.939 530 S CB 0.195 63.405 63.200 0.017 0.000 0.804 530 S HN 0.782 nan 8.310 nan 0.000 0.480 531 T N 4.787 119.383 114.554 0.070 0.000 2.940 531 T HA 0.160 -3.695 4.350 -13.675 0.000 0.309 531 T C -2.309 172.437 174.700 0.076 0.000 1.056 531 T CA -0.621 61.525 62.100 0.076 0.000 1.137 531 T CB 0.216 69.154 68.868 0.115 0.000 0.976 531 T HN 0.083 nan 8.240 nan 0.000 0.547 532 P HA 0.116 nan 4.420 nan 0.000 0.265 532 P C -0.781 176.565 177.300 0.076 0.000 1.187 532 P CA -0.241 62.892 63.100 0.054 0.000 0.766 532 P CB 0.345 32.070 31.700 0.040 0.000 0.820 533 V N 3.903 123.856 119.914 0.066 0.000 2.461 533 V HA 0.195 -3.890 4.120 -13.675 0.000 0.275 533 V C 0.499 176.640 176.094 0.078 0.000 1.047 533 V CA 0.256 62.602 62.300 0.077 0.000 0.955 533 V CB 1.084 32.939 31.823 0.053 0.000 0.988 533 V HN 0.525 nan 8.190 nan 0.000 0.471 534 T N 7.665 122.280 114.554 0.102 0.000 2.788 534 T HA 0.405 -3.451 4.350 -13.675 0.000 0.296 534 T C -2.485 172.279 174.700 0.107 0.000 1.009 534 T CA -1.041 61.114 62.100 0.092 0.000 0.949 534 T CB 1.513 70.436 68.868 0.091 0.000 0.946 534 T HN 0.446 nan 8.240 nan 0.000 0.453 535 P HA 0.387 nan 4.420 nan 0.000 0.269 535 P C -0.260 177.114 177.300 0.124 0.000 1.215 535 P CA -0.134 63.036 63.100 0.118 0.000 0.780 535 P CB 0.622 32.376 31.700 0.090 0.000 0.898 536 T N -0.059 114.597 114.554 0.170 0.000 2.830 536 T HA 0.561 -3.294 4.350 -13.675 0.000 0.322 536 T C -0.257 174.584 174.700 0.234 0.000 1.501 536 T CA 0.529 62.728 62.100 0.165 0.000 1.036 536 T CB 0.574 69.534 68.868 0.154 0.000 1.379 536 T HN 0.776 nan 8.240 nan 0.000 0.493 537 G N 2.069 110.979 108.800 0.183 0.000 2.645 537 G HA2 0.181 -4.064 3.960 -13.675 0.000 0.246 537 G HA3 0.181 -4.064 3.960 -13.675 0.000 0.246 537 G C -0.179 174.773 174.900 0.087 0.000 1.322 537 G CA 0.455 45.681 45.100 0.210 0.000 0.898 537 G HN 2.230 nan 8.290 nan 0.000 0.573 538 S N -0.598 115.128 115.700 0.044 0.000 2.537 538 S HA 0.754 -2.981 4.470 -13.675 0.000 0.271 538 S C -0.807 173.689 174.600 -0.174 0.000 1.148 538 S CA 0.226 58.326 58.200 -0.168 0.000 0.868 538 S CB 1.724 64.854 63.200 -0.117 0.000 1.115 538 S HN 2.266 nan 8.310 nan 0.000 0.461 539 W N 1.711 122.779 121.300 -0.387 0.000 3.029 539 W HA 0.786 -2.758 4.660 -13.674 0.000 0.339 539 W C -1.196 175.329 176.519 0.009 0.000 1.198 539 W CA -0.709 56.429 57.345 -0.345 0.000 1.148 539 W CB 1.017 29.820 29.460 -1.095 0.000 1.451 539 W HN 1.029 nan 8.180 nan 0.000 0.564 540 E N 2.381 122.914 120.200 0.556 0.000 2.199 540 E HA 0.451 -3.405 4.350 -13.675 0.000 0.269 540 E C -0.895 176.063 176.600 0.597 0.000 0.899 540 E CA -0.911 55.728 56.400 0.398 0.000 0.772 540 E CB 2.558 32.393 29.700 0.226 0.000 1.155 540 E HN 0.501 nan 8.360 nan 0.000 0.408 541 M N 3.010 122.916 119.600 0.509 0.000 2.250 541 M HA 0.105 -3.620 4.480 -13.675 0.000 0.337 541 M C 1.090 177.552 176.300 0.271 0.000 1.161 541 M CA 2.209 57.775 55.300 0.444 0.000 1.088 541 M CB 0.152 32.973 32.600 0.368 0.000 1.639 541 M HN 1.054 nan 8.290 nan 0.000 0.447 542 G N 2.799 111.720 108.800 0.202 0.000 2.189 542 G HA2 -0.320 -4.566 3.960 -13.675 0.000 0.267 542 G HA3 -0.320 -4.565 3.960 -13.675 0.000 0.267 542 G C 0.115 175.078 174.900 0.106 0.000 0.975 542 G CA 0.839 46.034 45.100 0.158 0.000 0.644 542 G HN 0.683 nan 8.290 nan 0.000 0.537 543 K N 0.561 121.027 120.400 0.110 0.000 2.143 543 K HA 0.501 -3.384 4.320 -13.675 0.000 0.272 543 K C 0.596 177.097 176.600 -0.164 0.000 1.001 543 K CA -0.960 55.305 56.287 -0.036 0.000 0.915 543 K CB 0.491 32.946 32.500 -0.076 0.000 1.047 543 K HN 0.100 nan 8.250 nan 0.000 0.458 544 R N 3.802 124.179 120.500 -0.206 0.000 2.308 544 R HA 0.169 -3.696 4.340 -13.675 0.000 0.305 544 R C -1.423 174.691 176.300 -0.309 0.000 1.053 544 R CA 0.034 56.055 56.100 -0.133 0.000 0.957 544 R CB 0.314 30.605 30.300 -0.016 0.000 1.022 544 R HN 0.605 nan 8.270 nan 0.000 0.461 545 Y N 1.333 121.749 120.300 0.192 0.000 2.485 545 Y HA 0.250 -3.406 4.550 -13.676 0.000 0.345 545 Y C -0.082 175.941 175.900 0.205 0.000 0.998 545 Y CA -0.865 57.371 58.100 0.226 0.000 1.059 545 Y CB 1.665 40.281 38.460 0.259 0.000 1.234 545 Y HN 0.637 nan 8.280 nan 0.000 0.461 546 H N 1.231 120.469 119.070 0.279 0.000 2.489 546 H HA 0.682 -2.967 4.556 -13.675 0.000 0.322 546 H C -1.476 173.895 175.328 0.072 0.000 1.091 546 H CA -0.478 55.690 56.048 0.201 0.000 1.291 546 H CB 0.867 30.838 29.762 0.349 0.000 1.436 546 H HN 0.413 nan 8.280 nan 0.000 0.480 547 V N 6.435 126.159 119.914 -0.317 0.000 2.540 547 V HA 0.356 -3.729 4.120 -13.675 0.000 0.302 547 V C -0.727 175.189 176.094 -0.296 0.000 1.035 547 V CA -0.798 61.348 62.300 -0.257 0.000 0.873 547 V CB 1.701 33.391 31.823 -0.221 0.000 0.992 547 V HN 0.592 nan 8.190 nan 0.000 0.428 548 V N 6.168 126.008 119.914 -0.123 0.000 2.487 548 V HA 0.524 -3.561 4.120 -13.675 0.000 0.298 548 V C -0.454 175.674 176.094 0.057 0.000 1.028 548 V CA -0.530 61.735 62.300 -0.058 0.000 0.860 548 V CB 1.874 33.631 31.823 -0.109 0.000 0.991 548 V HN 0.653 nan 8.190 nan 0.000 0.427 549 L N 4.923 126.165 121.223 0.030 0.000 2.305 549 L HA 0.730 -3.135 4.340 -13.675 0.000 0.284 549 L C 0.261 177.118 176.870 -0.022 0.000 1.013 549 L CA -0.293 54.580 54.840 0.055 0.000 0.819 549 L CB 1.970 44.097 42.059 0.114 0.000 1.227 549 L HN 0.799 nan 8.230 nan 0.000 0.417 550 T N 0.848 115.358 114.554 -0.074 0.000 2.885 550 T HA 0.718 -3.137 4.350 -13.675 0.000 0.285 550 T C -0.501 173.953 174.700 -0.411 0.000 1.019 550 T CA -0.761 61.181 62.100 -0.263 0.000 1.010 550 T CB 2.468 71.279 68.868 -0.096 0.000 1.022 550 T HN 0.445 nan 8.240 nan 0.000 0.466 551 M N 2.398 121.594 119.600 -0.672 0.000 2.224 551 M HA 0.698 -3.028 4.480 -13.675 0.000 0.281 551 M C -1.865 174.259 176.300 -0.294 0.000 1.025 551 M CA -0.402 54.608 55.300 -0.483 0.000 0.954 551 M CB 1.316 33.537 32.600 -0.631 0.000 1.639 551 M HN 1.225 nan 8.290 nan 0.000 0.461 552 A N 3.965 126.699 122.820 -0.143 0.000 2.612 552 A HA 0.661 -3.224 4.320 -13.675 0.000 0.293 552 A C -0.236 177.325 177.584 -0.038 0.000 1.075 552 A CA -0.471 51.525 52.037 -0.068 0.000 0.680 552 A CB 1.031 19.997 19.000 -0.058 0.000 1.279 552 A HN 0.913 nan 8.150 nan 0.000 0.411 553 N N 0.796 119.491 118.700 -0.008 0.000 2.725 553 N HA -0.198 -3.664 4.740 -13.675 0.000 0.249 553 N C 0.095 175.598 175.510 -0.012 0.000 1.103 553 N CA 1.436 54.484 53.050 -0.004 0.000 0.707 553 N CB -1.129 37.352 38.487 -0.010 0.000 1.043 553 N HN 0.918 nan 8.380 nan 0.000 0.553 554 K N -2.309 118.082 120.400 -0.015 0.000 3.472 554 K HA -0.200 -4.085 4.320 -13.675 0.000 0.315 554 K C -0.061 176.526 176.600 -0.021 0.000 1.320 554 K CA 1.316 57.592 56.287 -0.018 0.000 0.962 554 K CB -1.169 31.324 32.500 -0.012 0.000 1.251 554 K HN 0.494 nan 8.250 nan 0.000 0.443 555 I N 0.659 121.210 120.570 -0.033 0.000 2.441 555 I HA 0.360 -3.675 4.170 -13.675 0.000 0.295 555 I C 0.745 176.839 176.117 -0.039 0.000 0.994 555 I CA -0.724 60.553 61.300 -0.037 0.000 1.144 555 I CB 1.940 39.911 38.000 -0.048 0.000 1.314 555 I HN 0.075 nan 8.210 nan 0.000 0.445 556 G N 3.347 112.151 108.800 0.006 0.000 2.415 556 G HA2 0.652 -3.593 3.960 -13.675 0.000 0.327 556 G HA3 0.652 -3.593 3.960 -13.675 0.000 0.327 556 G C -0.995 173.967 174.900 0.102 0.000 1.182 556 G CA -0.274 44.860 45.100 0.056 0.000 0.924 556 G HN 0.525 nan 8.290 nan 0.000 0.470 557 S N -0.554 115.185 115.700 0.065 0.000 2.568 557 S HA 0.710 -3.025 4.470 -13.675 0.000 0.293 557 S C -0.648 173.973 174.600 0.034 0.000 1.089 557 S CA -0.550 57.669 58.200 0.032 0.000 0.945 557 S CB 2.166 65.325 63.200 -0.070 0.000 1.077 557 S HN 0.535 nan 8.310 nan 0.000 0.485 558 V N 2.782 122.654 119.914 -0.070 0.000 2.531 558 V HA 0.485 -3.600 4.120 -13.675 0.000 0.301 558 V C -1.725 174.216 176.094 -0.254 0.000 1.034 558 V CA -0.636 61.610 62.300 -0.089 0.000 0.865 558 V CB 1.024 32.785 31.823 -0.105 0.000 0.995 558 V HN 0.849 nan 8.190 nan 0.000 0.424 559 Y N 4.436 124.660 120.300 -0.127 0.000 2.393 559 Y HA 0.662 -2.993 4.550 -13.675 0.000 0.341 559 Y C -0.006 175.775 175.900 -0.198 0.000 0.988 559 Y CA -1.089 56.932 58.100 -0.132 0.000 1.078 559 Y CB 1.799 40.205 38.460 -0.089 0.000 1.203 559 Y HN 0.349 nan 8.280 nan 0.000 0.453 560 I N 3.290 123.812 120.570 -0.080 0.000 2.406 560 I HA 0.197 -3.839 4.170 -13.675 0.000 0.290 560 I C -0.401 175.671 176.117 -0.074 0.000 0.999 560 I CA -0.842 60.377 61.300 -0.134 0.000 1.124 560 I CB 1.594 39.411 38.000 -0.305 0.000 1.289 560 I HN 0.731 nan 8.210 nan 0.000 0.441 561 D N 5.160 125.513 120.400 -0.080 0.000 2.751 561 D HA -0.191 -3.756 4.640 -13.675 0.000 0.233 561 D C 1.242 176.914 176.300 -1.047 0.000 1.149 561 D CA 1.612 55.255 54.000 -0.595 0.000 0.682 561 D CB -0.980 39.641 40.800 -0.299 0.000 1.068 561 D HN 1.147 nan 8.370 nan 0.000 0.429 562 G N -1.175 107.344 108.800 -0.469 0.000 2.179 562 G HA2 -0.311 -4.556 3.960 -13.675 0.000 0.260 562 G HA3 -0.311 -4.556 3.960 -13.675 0.000 0.260 562 G C -0.052 174.843 174.900 -0.008 0.000 0.977 562 G CA 0.464 45.405 45.100 -0.265 0.000 0.641 562 G HN 0.402 nan 8.290 nan 0.000 0.533 563 E N 0.909 121.118 120.200 0.015 0.000 2.222 563 E HA 0.448 -3.407 4.350 -13.675 0.000 0.267 563 E C -2.634 173.966 176.600 -0.001 0.000 0.884 563 E CA -2.068 54.374 56.400 0.069 0.000 0.764 563 E CB 2.426 32.118 29.700 -0.013 0.000 1.169 563 E HN 0.172 nan 8.360 nan 0.000 0.413 564 P HA 0.110 nan 4.420 nan 0.000 0.271 564 P C 0.204 177.374 177.300 -0.217 0.000 1.216 564 P CA -0.117 62.708 63.100 -0.459 0.000 0.771 564 P CB 0.718 32.111 31.700 -0.512 0.000 0.864 565 L N 1.781 122.889 121.223 -0.191 0.000 2.483 565 L HA 0.042 -3.823 4.340 -13.675 0.000 0.275 565 L C 1.560 178.400 176.870 -0.051 0.000 1.220 565 L CA -0.064 54.732 54.840 -0.074 0.000 0.833 565 L CB -0.090 41.947 42.059 -0.036 0.000 1.102 565 L HN 0.512 nan 8.230 nan 0.000 0.490 566 E N 1.960 122.158 120.200 -0.003 0.000 2.465 566 E HA 0.015 -3.841 4.350 -13.675 0.000 0.260 566 E C 0.889 177.483 176.600 -0.009 0.000 0.980 566 E CA 0.541 56.938 56.400 -0.006 0.000 0.927 566 E CB 0.377 30.089 29.700 0.020 0.000 0.934 566 E HN 0.800 nan 8.360 nan 0.000 0.459 567 G N 3.054 111.824 108.800 -0.050 0.000 2.148 567 G HA2 -0.311 -4.557 3.960 -13.675 0.000 0.254 567 G HA3 -0.311 -4.557 3.960 -13.675 0.000 0.254 567 G C 0.352 175.137 174.900 -0.191 0.000 0.981 567 G CA 0.410 45.456 45.100 -0.089 0.000 0.670 567 G HN 0.655 nan 8.290 nan 0.000 0.528 568 S N -0.749 114.853 115.700 -0.163 0.000 2.641 568 S HA 0.554 -3.181 4.470 -13.675 0.000 0.261 568 S C 1.473 175.898 174.600 -0.292 0.000 1.257 568 S CA 1.346 59.411 58.200 -0.225 0.000 0.983 568 S CB 0.560 63.675 63.200 -0.142 0.000 0.990 568 S HN 2.186 nan 8.310 nan 0.000 0.572 569 G N 1.594 110.234 108.800 -0.265 0.000 2.370 569 G HA2 -0.123 -4.368 3.960 -13.675 0.000 0.268 569 G HA3 -0.123 -4.368 3.960 -13.675 0.000 0.268 569 G C -0.491 174.259 174.900 -0.251 0.000 1.122 569 G CA -0.304 44.677 45.100 -0.199 0.000 0.963 569 G HN 0.491 nan 8.290 nan 0.000 0.500 570 Q N -0.118 119.469 119.800 -0.356 0.000 2.301 570 Q HA 0.567 -3.299 4.340 -13.675 0.000 0.267 570 Q C 0.404 176.325 176.000 -0.131 0.000 1.035 570 Q CA -0.468 55.143 55.803 -0.320 0.000 0.856 570 Q CB 1.466 29.856 28.738 -0.579 0.000 1.337 570 Q HN 0.247 nan 8.270 nan 0.000 0.450 571 T N 1.261 115.766 114.554 -0.081 0.000 2.853 571 T HA 0.156 -3.699 4.350 -13.675 0.000 0.298 571 T C 1.169 175.879 174.700 0.016 0.000 0.978 571 T CA -0.005 62.078 62.100 -0.029 0.000 1.152 571 T CB 0.220 69.072 68.868 -0.026 0.000 0.914 571 T HN 0.506 nan 8.240 nan 0.000 0.539 572 V N 1.390 121.324 119.914 0.033 0.000 3.477 572 V HA 0.393 -3.692 4.120 -13.675 0.000 0.297 572 V C 0.184 176.295 176.094 0.030 0.000 1.433 572 V CA -0.204 62.132 62.300 0.060 0.000 1.052 572 V CB 0.268 32.148 31.823 0.095 0.000 0.895 572 V HN 0.501 nan 8.190 nan 0.000 0.438 573 V N 3.482 123.401 119.914 0.009 0.000 2.326 573 V HA 0.444 -3.641 4.120 -13.675 0.000 0.281 573 V C -1.160 174.931 176.094 -0.006 0.000 1.015 573 V CA -0.716 61.580 62.300 -0.007 0.000 0.823 573 V CB 1.581 33.391 31.823 -0.022 0.000 1.009 573 V HN 0.248 nan 8.190 nan 0.000 0.436 574 P HA 0.064 nan 4.420 nan 0.000 0.235 574 P C 0.185 177.482 177.300 -0.005 0.000 1.177 574 P CA 0.846 63.945 63.100 -0.002 0.000 0.785 574 P CB 0.402 32.102 31.700 0.000 0.000 0.885 575 D N -2.159 118.237 120.400 -0.006 0.000 2.969 575 D HA 0.083 -3.483 4.640 -13.675 0.000 0.317 575 D C 0.280 176.578 176.300 -0.003 0.000 1.650 575 D CA -0.438 53.559 54.000 -0.004 0.000 0.789 575 D CB -0.538 40.259 40.800 -0.004 0.000 1.277 575 D HN -0.124 nan 8.370 nan 0.000 0.463 576 E N -0.730 119.468 120.200 -0.003 0.000 4.129 576 E HA -0.233 -4.089 4.350 -13.675 0.000 0.360 576 E C -0.126 176.476 176.600 0.002 0.000 0.598 576 E CA 1.133 57.535 56.400 0.003 0.000 1.308 576 E CB -0.902 28.803 29.700 0.008 0.000 1.777 576 E HN 0.434 nan 8.360 nan 0.000 0.397 577 R N 1.300 121.798 120.500 -0.004 0.000 2.623 577 R HA 0.210 -3.656 4.340 -13.675 0.000 0.271 577 R C -0.119 176.164 176.300 -0.027 0.000 1.043 577 R CA 0.705 56.800 56.100 -0.009 0.000 1.083 577 R CB 0.419 30.712 30.300 -0.013 0.000 0.974 577 R HN -0.057 nan 8.270 nan 0.000 0.436 578 T N 5.011 119.546 114.554 -0.032 0.000 2.884 578 T HA 0.176 -3.679 4.350 -13.675 0.000 0.298 578 T C -1.941 172.693 174.700 -0.110 0.000 0.998 578 T CA -1.182 60.864 62.100 -0.091 0.000 1.124 578 T CB 0.826 69.651 68.868 -0.072 0.000 0.931 578 T HN 0.372 nan 8.240 nan 0.000 0.531 579 P HA 0.220 nan 4.420 nan 0.000 0.270 579 P C -0.592 176.601 177.300 -0.179 0.000 1.223 579 P CA -0.222 62.791 63.100 -0.146 0.000 0.785 579 P CB 0.407 32.015 31.700 -0.153 0.000 0.923 580 D N 1.362 121.672 120.400 -0.150 0.000 2.443 580 D HA 0.238 -3.327 4.640 -13.675 0.000 0.281 580 D C -0.410 175.783 176.300 -0.178 0.000 1.210 580 D CA -0.362 53.544 54.000 -0.157 0.000 0.875 580 D CB -0.521 40.229 40.800 -0.084 0.000 1.125 580 D HN 0.156 nan 8.370 nan 0.000 0.503 581 I N 1.606 122.022 120.570 -0.256 0.000 2.668 581 I HA -0.058 -4.094 4.170 -13.675 0.000 0.285 581 I C 1.780 177.730 176.117 -0.278 0.000 1.168 581 I CA 0.145 61.259 61.300 -0.310 0.000 1.424 581 I CB 1.223 38.942 38.000 -0.468 0.000 1.377 581 I HN 0.236 nan 8.210 nan 0.000 0.560 582 S N 5.947 121.518 115.700 -0.215 0.000 2.362 582 S HA -0.056 -3.791 4.470 -13.675 0.000 0.221 582 S C 0.303 174.901 174.600 -0.005 0.000 1.032 582 S CA 0.818 58.986 58.200 -0.052 0.000 0.973 582 S CB 0.014 63.287 63.200 0.121 0.000 0.849 582 S HN 0.829 nan 8.310 nan 0.000 0.465 583 H N -2.579 116.332 119.070 -0.266 0.000 2.969 583 H HA 0.269 -3.382 4.556 -13.678 0.000 0.304 583 H C -1.772 173.329 175.328 -0.378 0.000 1.400 583 H CA -0.978 54.911 56.048 -0.265 0.000 1.182 583 H CB -0.435 29.318 29.762 -0.015 0.000 1.865 583 H HN 0.178 nan 8.280 nan 0.000 0.512 584 F N 1.793 121.781 119.950 0.063 0.000 2.394 584 F HA 0.336 -3.344 4.527 -13.679 0.000 0.340 584 F C 0.116 176.048 175.800 0.220 0.000 1.105 584 F CA -0.780 57.203 58.000 -0.029 0.000 1.124 584 F CB 0.829 39.824 39.000 -0.009 0.000 1.145 584 F HN 0.431 nan 8.300 nan 0.000 0.505 585 Y N 0.042 120.533 120.300 0.318 0.000 2.387 585 Y HA 0.824 -2.831 4.550 -13.676 0.000 0.336 585 Y C -1.273 174.723 175.900 0.159 0.000 1.067 585 Y CA -1.711 56.560 58.100 0.286 0.000 1.114 585 Y CB 0.988 39.613 38.460 0.276 0.000 1.208 585 Y HN 0.284 nan 8.280 nan 0.000 0.458 586 V N 2.438 122.457 119.914 0.175 0.000 2.612 586 V HA 0.621 -3.464 4.120 -13.675 0.000 0.301 586 V C 0.489 176.485 176.094 -0.163 0.000 1.059 586 V CA -0.510 61.824 62.300 0.058 0.000 0.886 586 V CB 1.015 32.938 31.823 0.166 0.000 1.007 586 V HN 1.344 nan 8.190 nan 0.000 0.426 587 G N 2.839 111.555 108.800 -0.140 0.000 2.143 587 G HA2 0.251 -3.994 3.960 -13.675 0.000 0.248 587 G HA3 0.251 -3.994 3.960 -13.675 0.000 0.248 587 G C 0.717 175.376 174.900 -0.403 0.000 0.991 587 G CA 0.300 45.183 45.100 -0.362 0.000 0.689 587 G HN 2.360 nan 8.290 nan 0.000 0.522 588 G N -2.467 106.197 108.800 -0.227 0.000 2.359 588 G HA2 0.335 -3.910 3.960 -13.675 0.000 0.303 588 G HA3 0.335 -3.910 3.960 -13.675 0.000 0.303 588 G C 0.004 174.777 174.900 -0.213 0.000 1.293 588 G CA 0.115 45.070 45.100 -0.243 0.000 0.964 588 G HN 0.540 nan 8.290 nan 0.000 0.531 589 Y N 0.440 120.714 120.300 -0.044 0.000 2.517 589 Y HA 0.291 -3.365 4.550 -13.676 0.000 0.281 589 Y C 2.013 177.918 175.900 0.008 0.000 1.125 589 Y CA 0.713 58.782 58.100 -0.050 0.000 1.283 589 Y CB 0.348 38.736 38.460 -0.120 0.000 1.042 589 Y HN 0.554 nan 8.280 nan 0.000 0.547 590 K N 1.372 121.840 120.400 0.113 0.000 3.077 590 K HA -0.221 -4.106 4.320 -13.675 0.000 0.264 590 K C -1.320 175.318 176.600 0.063 0.000 1.008 590 K CA 0.326 56.657 56.287 0.073 0.000 0.740 590 K CB -0.573 31.966 32.500 0.065 0.000 1.273 590 K HN 0.140 nan 8.250 nan 0.000 0.477 591 R N 0.152 120.701 120.500 0.082 0.000 2.500 591 R HA 0.107 -3.758 4.340 -13.675 0.000 0.299 591 R C 1.005 177.323 176.300 0.031 0.000 1.038 591 R CA 0.161 56.280 56.100 0.032 0.000 0.903 591 R CB 1.508 31.804 30.300 -0.007 0.000 1.177 591 R HN 0.259 nan 8.270 nan 0.000 0.455 592 S N 0.411 116.121 115.700 0.017 0.000 2.507 592 S HA -0.080 -3.816 4.470 -13.675 0.000 0.235 592 S C 1.639 176.240 174.600 0.001 0.000 0.988 592 S CA 0.993 59.203 58.200 0.016 0.000 0.944 592 S CB 0.099 63.307 63.200 0.012 0.000 0.762 592 S HN 0.691 nan 8.310 nan 0.000 0.526 593 G N 1.148 109.938 108.800 -0.017 0.000 2.534 593 G HA2 0.141 -4.104 3.960 -13.675 0.000 0.217 593 G HA3 0.141 -4.104 3.960 -13.675 0.000 0.217 593 G C 0.518 175.392 174.900 -0.045 0.000 1.128 593 G CA 0.174 45.254 45.100 -0.034 0.000 0.784 593 G HN 0.385 nan 8.290 nan 0.000 0.542 594 M N 0.732 120.308 119.600 -0.040 0.000 2.264 594 M HA 0.272 -3.453 4.480 -13.675 0.000 0.352 594 M C -1.801 174.513 176.300 0.023 0.000 1.173 594 M CA -2.931 52.341 55.300 -0.047 0.000 1.075 594 M CB 1.561 34.100 32.600 -0.102 0.000 1.621 594 M HN -0.149 nan 8.290 nan 0.000 0.457 595 P HA 0.039 nan 4.420 nan 0.000 0.255 595 P C 0.101 177.427 177.300 0.044 0.000 1.248 595 P CA 0.319 63.435 63.100 0.026 0.000 0.807 595 P CB -0.294 31.411 31.700 0.009 0.000 1.150 596 T N -1.541 113.063 114.554 0.083 0.000 2.898 596 T HA 0.249 -3.606 4.350 -13.675 0.000 0.301 596 T C -0.191 174.533 174.700 0.040 0.000 1.049 596 T CA -0.443 61.690 62.100 0.056 0.000 1.095 596 T CB 0.952 69.861 68.868 0.068 0.000 0.976 596 T HN -0.149 nan 8.240 nan 0.000 0.539 597 D N 1.218 121.630 120.400 0.020 0.000 2.454 597 D HA 0.273 -3.292 4.640 -13.675 0.000 0.247 597 D C -0.888 175.444 176.300 0.052 0.000 1.129 597 D CA -0.520 53.504 54.000 0.041 0.000 0.877 597 D CB 1.027 41.855 40.800 0.047 0.000 1.082 597 D HN 0.484 nan 8.370 nan 0.000 0.537 598 S N 3.782 119.520 115.700 0.063 0.000 2.410 598 S HA 0.378 -3.357 4.470 -13.675 0.000 0.304 598 S C 0.348 175.054 174.600 0.178 0.000 1.095 598 S CA -0.699 57.585 58.200 0.140 0.000 1.089 598 S CB 0.886 64.143 63.200 0.094 0.000 0.968 598 S HN 0.260 nan 8.310 nan 0.000 0.480 599 R N 2.751 123.373 120.500 0.203 0.000 2.369 599 R HA 0.458 -3.407 4.340 -13.675 0.000 0.310 599 R C -0.503 175.900 176.300 0.172 0.000 1.141 599 R CA -0.354 55.867 56.100 0.202 0.000 1.116 599 R CB 0.348 30.762 30.300 0.190 0.000 1.135 599 R HN 0.509 nan 8.270 nan 0.000 0.529 600 V N -1.703 118.335 119.914 0.206 0.000 3.147 600 V HA 0.581 -3.504 4.120 -13.675 0.000 0.306 600 V C -0.455 175.754 176.094 0.191 0.000 1.209 600 V CA -0.837 61.469 62.300 0.010 0.000 1.023 600 V CB 2.413 34.207 31.823 -0.050 0.000 1.059 600 V HN 0.333 nan 8.190 nan 0.000 0.435 601 T N 2.115 116.705 114.554 0.060 0.000 2.797 601 T HA 0.744 -3.111 4.350 -13.675 0.000 0.279 601 T C -0.614 174.168 174.700 0.137 0.000 0.991 601 T CA -0.400 61.789 62.100 0.149 0.000 0.979 601 T CB 1.485 70.492 68.868 0.231 0.000 0.943 601 T HN 0.833 nan 8.240 nan 0.000 0.444 602 V N 4.971 125.010 119.914 0.209 0.000 2.487 602 V HA 0.525 -3.560 4.120 -13.675 0.000 0.298 602 V C -0.408 175.879 176.094 0.322 0.000 1.028 602 V CA -1.043 61.433 62.300 0.293 0.000 0.860 602 V CB 1.779 33.877 31.823 0.459 0.000 0.991 602 V HN 0.818 nan 8.190 nan 0.000 0.427 603 N N 3.175 122.039 118.700 0.274 0.000 2.272 603 N HA 0.410 -3.055 4.740 -13.675 0.000 0.305 603 N C -0.521 175.145 175.510 0.259 0.000 1.103 603 N CA -0.749 52.469 53.050 0.280 0.000 0.791 603 N CB 1.780 40.385 38.487 0.196 0.000 1.356 603 N HN 0.809 nan 8.380 nan 0.000 0.486 604 N N -0.614 118.238 118.700 0.253 0.000 2.641 604 N HA -0.159 -3.624 4.740 -13.675 0.000 0.267 604 N C -1.136 174.520 175.510 0.243 0.000 1.087 604 N CA -0.032 53.203 53.050 0.307 0.000 0.731 604 N CB -0.747 37.965 38.487 0.374 0.000 0.886 604 N HN 0.220 nan 8.380 nan 0.000 0.547 605 V N 1.961 121.910 119.914 0.058 0.000 2.408 605 V HA 0.324 -3.761 4.120 -13.675 0.000 0.267 605 V C 0.655 176.824 176.094 0.124 0.000 1.047 605 V CA -0.246 62.031 62.300 -0.038 0.000 0.937 605 V CB 0.951 32.553 31.823 -0.368 0.000 0.999 605 V HN 0.243 nan 8.190 nan 0.000 0.472 606 L N 5.883 127.172 121.223 0.109 0.000 2.317 606 L HA 0.628 -3.237 4.340 -13.675 0.000 0.281 606 L C -0.593 176.281 176.870 0.006 0.000 1.024 606 L CA -0.617 54.243 54.840 0.033 0.000 0.810 606 L CB 1.770 43.793 42.059 -0.061 0.000 1.240 606 L HN 0.470 nan 8.230 nan 0.000 0.427 607 L N 3.491 124.632 121.223 -0.136 0.000 2.349 607 L HA 0.555 -3.310 4.340 -13.675 0.000 0.278 607 L C -1.331 175.298 176.870 -0.400 0.000 0.996 607 L CA -0.021 54.643 54.840 -0.293 0.000 0.825 607 L CB 1.060 42.723 42.059 -0.661 0.000 1.243 607 L HN 0.274 nan 8.230 nan 0.000 0.412 608 Y N 2.545 122.740 120.300 -0.174 0.000 2.509 608 Y HA 0.378 -3.276 4.550 -13.674 0.000 0.341 608 Y C 0.832 176.605 175.900 -0.211 0.000 1.038 608 Y CA -0.726 57.244 58.100 -0.217 0.000 1.089 608 Y CB 1.343 39.703 38.460 -0.167 0.000 1.241 608 Y HN 0.704 nan 8.280 nan 0.000 0.468 609 N N 1.395 119.902 118.700 -0.322 0.000 2.322 609 N HA 0.102 -3.364 4.740 -13.675 0.000 0.216 609 N C -0.587 174.825 175.510 -0.163 0.000 1.144 609 N CA -0.316 52.358 53.050 -0.626 0.000 0.830 609 N CB -0.021 37.667 38.487 -1.332 0.000 1.034 609 N HN 0.766 nan 8.380 nan 0.000 0.484 610 R N -2.381 118.100 120.500 -0.032 0.000 2.747 610 R HA 0.295 -3.570 4.340 -13.675 0.000 0.272 610 R C -1.319 174.945 176.300 -0.060 0.000 1.032 610 R CA -0.969 55.110 56.100 -0.035 0.000 0.896 610 R CB 0.684 30.943 30.300 -0.069 0.000 1.253 610 R HN 0.044 nan 8.270 nan 0.000 0.461 611 Q N 2.049 121.796 119.800 -0.089 0.000 2.307 611 Q HA 0.262 -3.603 4.340 -13.675 0.000 0.259 611 Q C -0.649 175.256 176.000 -0.159 0.000 0.998 611 Q CA -0.470 55.256 55.803 -0.128 0.000 0.923 611 Q CB 0.780 29.456 28.738 -0.104 0.000 1.196 611 Q HN 0.482 nan 8.270 nan 0.000 0.416 612 L N 3.485 124.570 121.223 -0.229 0.000 2.467 612 L HA 0.074 -3.791 4.340 -13.675 0.000 0.270 612 L C 0.737 177.483 176.870 -0.207 0.000 1.205 612 L CA -0.402 54.269 54.840 -0.282 0.000 0.828 612 L CB 0.102 41.918 42.059 -0.405 0.000 1.101 612 L HN 0.797 nan 8.230 nan 0.000 0.479 613 N N 1.181 119.774 118.700 -0.178 0.000 2.405 613 N HA 0.240 -3.225 4.740 -13.675 0.000 0.269 613 N C 0.478 175.905 175.510 -0.139 0.000 1.249 613 N CA -0.011 52.963 53.050 -0.128 0.000 0.974 613 N CB 0.657 39.087 38.487 -0.094 0.000 1.204 613 N HN 0.583 nan 8.380 nan 0.000 0.565 614 A N -0.617 122.149 122.820 -0.091 0.000 1.898 614 A HA -0.178 -4.063 4.320 -13.675 0.000 0.216 614 A C 1.991 179.526 177.584 -0.082 0.000 1.181 614 A CA 1.641 53.629 52.037 -0.081 0.000 0.620 614 A CB -1.169 17.816 19.000 -0.024 0.000 0.819 614 A HN 0.901 nan 8.150 nan 0.000 0.442 615 E N 0.006 120.165 120.200 -0.068 0.000 2.058 615 E HA -0.249 -4.104 4.350 -13.675 0.000 0.194 615 E C 1.879 178.432 176.600 -0.078 0.000 0.997 615 E CA 1.570 57.935 56.400 -0.058 0.000 0.801 615 E CB -0.155 29.515 29.700 -0.050 0.000 0.746 615 E HN 0.750 nan 8.360 nan 0.000 0.450 616 E N 0.226 120.358 120.200 -0.114 0.000 2.077 616 E HA -0.176 -4.031 4.350 -13.675 0.000 0.193 616 E C 2.213 178.724 176.600 -0.148 0.000 0.989 616 E CA 1.208 57.521 56.400 -0.144 0.000 0.800 616 E CB -0.076 29.498 29.700 -0.210 0.000 0.746 616 E HN 0.390 nan 8.360 nan 0.000 0.452 617 I N 0.692 121.156 120.570 -0.177 0.000 2.202 617 I HA -0.255 -4.290 4.170 -13.675 0.000 0.242 617 I C 2.616 178.695 176.117 -0.062 0.000 1.091 617 I CA 0.873 62.067 61.300 -0.176 0.000 1.368 617 I CB -0.125 37.647 38.000 -0.380 0.000 1.058 617 I HN 0.003 nan 8.210 nan 0.000 0.410 618 R N 1.080 121.554 120.500 -0.043 0.000 2.083 618 R HA -0.160 -4.025 4.340 -13.675 0.000 0.237 618 R C 2.188 178.506 176.300 0.031 0.000 1.137 618 R CA 2.373 58.502 56.100 0.050 0.000 0.951 618 R CB -1.045 29.275 30.300 0.033 0.000 0.851 618 R HN 0.227 nan 8.270 nan 0.000 0.434 619 T N 1.216 115.754 114.554 -0.027 0.000 2.720 619 T HA -0.111 -3.966 4.350 -13.675 0.000 0.268 619 T C 1.754 176.412 174.700 -0.069 0.000 1.037 619 T CA 1.626 63.696 62.100 -0.051 0.000 1.144 619 T CB -0.224 68.614 68.868 -0.051 0.000 0.864 619 T HN 0.153 nan 8.240 nan 0.000 0.444 620 L N -0.015 121.180 121.223 -0.047 0.000 2.046 620 L HA -0.055 -3.920 4.340 -13.675 0.000 0.208 620 L C 2.314 179.050 176.870 -0.224 0.000 1.077 620 L CA 1.371 56.197 54.840 -0.024 0.000 0.747 620 L CB -0.607 41.520 42.059 0.113 0.000 0.896 620 L HN 0.219 nan 8.230 nan 0.000 0.432 621 F N 0.875 120.488 119.950 -0.562 0.000 2.069 621 F HA -0.224 -3.903 4.527 -13.676 0.000 0.298 621 F C 2.153 177.726 175.800 -0.378 0.000 1.113 621 F CA 1.571 59.043 58.000 -0.880 0.000 1.214 621 F CB -0.434 38.260 39.000 -0.510 0.000 0.978 621 F HN -0.129 nan 8.300 nan 0.000 0.474 622 L N -0.479 120.400 121.223 -0.574 0.000 2.201 622 L HA -0.148 -4.014 4.340 -13.675 0.000 0.212 622 L C 1.918 178.583 176.870 -0.341 0.000 1.105 622 L CA 1.287 55.796 54.840 -0.553 0.000 0.775 622 L CB -0.651 41.242 42.059 -0.277 0.000 0.913 622 L HN 0.112 nan 8.230 nan 0.000 0.440 623 S N -0.844 114.717 115.700 -0.231 0.000 2.577 623 S HA -0.024 -3.759 4.470 -13.675 0.000 0.219 623 S C 1.653 176.214 174.600 -0.066 0.000 0.962 623 S CA -0.220 57.908 58.200 -0.119 0.000 0.921 623 S CB 0.223 63.382 63.200 -0.069 0.000 0.789 623 S HN 0.496 nan 8.310 nan 0.000 0.497 624 Q N 1.279 121.021 119.800 -0.096 0.000 2.291 624 Q HA -0.105 -3.970 4.340 -13.675 0.000 0.206 624 Q C 0.241 176.282 176.000 0.068 0.000 0.976 624 Q CA 1.348 57.174 55.803 0.038 0.000 0.875 624 Q CB -0.280 28.525 28.738 0.112 0.000 0.927 624 Q HN 0.228 nan 8.270 nan 0.000 0.450 625 D N 0.371 120.782 120.400 0.018 0.000 2.339 625 D HA 0.134 -3.432 4.640 -13.675 0.000 0.217 625 D C 1.314 177.649 176.300 0.058 0.000 1.050 625 D CA 0.305 54.330 54.000 0.042 0.000 0.856 625 D CB 0.443 41.250 40.800 0.011 0.000 0.922 625 D HN 0.340 nan 8.370 nan 0.000 0.518 626 L N 0.282 121.541 121.223 0.060 0.000 2.556 626 L HA 0.222 -3.643 4.340 -13.675 0.000 0.226 626 L C 2.063 179.024 176.870 0.152 0.000 1.089 626 L CA 0.224 55.112 54.840 0.081 0.000 0.864 626 L CB 0.117 42.195 42.059 0.032 0.000 1.067 626 L HN -0.011 nan 8.230 nan 0.000 0.477 627 I N -2.606 118.069 120.570 0.175 0.000 3.728 627 I HA 0.283 -3.752 4.170 -13.675 0.000 0.307 627 I C 1.272 177.648 176.117 0.430 0.000 1.276 627 I CA -0.209 61.247 61.300 0.261 0.000 1.285 627 I CB -0.535 37.563 38.000 0.164 0.000 1.038 627 I HN -0.010 nan 8.210 nan 0.000 0.445 628 G N 1.405 110.404 108.800 0.332 0.000 2.636 628 G HA2 0.223 -4.022 3.960 -13.675 0.000 0.246 628 G HA3 0.223 -4.022 3.960 -13.675 0.000 0.246 628 G C 0.937 175.969 174.900 0.220 0.000 1.216 628 G CA 0.390 45.645 45.100 0.258 0.000 0.854 628 G HN 0.409 nan 8.290 nan 0.000 0.572 629 T N -2.378 112.179 114.554 0.006 0.000 3.129 629 T HA 0.067 -3.788 4.350 -13.675 0.000 0.251 629 T C 1.585 176.295 174.700 0.016 0.000 1.117 629 T CA 0.962 63.084 62.100 0.036 0.000 1.034 629 T CB 0.056 68.725 68.868 -0.333 0.000 0.968 629 T HN 0.682 nan 8.240 nan 0.000 0.526 630 E N 1.905 121.992 120.200 -0.189 0.000 2.086 630 E HA -0.264 -4.119 4.350 -13.675 0.000 0.205 630 E C 2.151 178.461 176.600 -0.485 0.000 1.027 630 E CA 1.658 57.663 56.400 -0.657 0.000 0.830 630 E CB -0.527 28.822 29.700 -0.584 0.000 0.751 630 E HN 0.689 nan 8.360 nan 0.000 0.456 631 A N -0.587 121.957 122.820 -0.459 0.000 2.206 631 A HA -0.067 -3.952 4.320 -13.675 0.000 0.211 631 A C 0.984 178.239 177.584 -0.548 0.000 1.158 631 A CA 1.048 52.778 52.037 -0.511 0.000 0.761 631 A CB -0.467 18.215 19.000 -0.529 0.000 0.801 631 A HN 0.428 nan 8.150 nan 0.000 0.473 632 H N -2.681 116.393 119.070 0.007 0.000 2.755 632 H HA 0.529 -3.120 4.556 -13.675 0.000 0.273 632 H C 0.861 176.232 175.328 0.073 0.000 1.055 632 H CA 0.505 56.569 56.048 0.025 0.000 1.191 632 H CB 0.119 29.894 29.762 0.023 0.000 1.536 632 H HN 0.597 nan 8.280 nan 0.000 0.529 633 M N 0.000 119.682 119.600 0.137 0.000 2.572 633 M HA 0.000 -3.725 4.480 -13.675 0.000 0.227 633 M CA 0.000 55.409 55.300 0.182 0.000 0.988 633 M CB 0.000 nan 32.600 nan 0.000 1.302 633 M HN 0.000 nan 8.290 nan 0.000 0.411