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 1ms0_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 AH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.863 176.870 -0.012 0.000 1.165 1 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 1 L CB 0.000 42.066 42.059 0.012 0.000 0.961 2 A N 5.182 127.992 122.820 -0.017 0.000 2.475 2 A HA 0.610 4.925 4.320 -0.008 0.000 0.239 2 A C -2.304 175.275 177.584 -0.009 0.000 1.087 2 A CA -0.542 51.486 52.037 -0.015 0.000 0.779 2 A CB -0.688 18.302 19.000 -0.017 0.000 1.036 2 A HN 0.558 nan 8.150 nan 0.000 0.506 3 P HA 0.349 nan 4.420 nan 0.000 0.271 3 P C 0.776 178.074 177.300 -0.004 0.000 1.233 3 P CA 1.500 64.599 63.100 -0.002 0.000 0.764 3 P CB 0.709 32.409 31.700 0.000 0.000 0.825 4 G N 1.692 110.491 108.800 -0.002 0.000 2.201 4 G HA2 -0.177 3.778 3.960 -0.008 0.000 0.212 4 G HA3 -0.177 3.778 3.960 -0.008 0.000 0.212 4 G C 0.295 175.191 174.900 -0.007 0.000 0.994 4 G CA -0.236 44.862 45.100 -0.004 0.000 0.644 4 G HN 0.550 nan 8.290 nan 0.000 0.508 5 S N -0.054 115.641 115.700 -0.008 0.000 2.651 5 S HA 0.892 5.357 4.470 -0.008 0.000 0.291 5 S C 0.215 174.816 174.600 0.001 0.000 1.141 5 S CA 0.292 58.484 58.200 -0.012 0.000 1.027 5 S CB 1.969 65.157 63.200 -0.021 0.000 1.043 5 S HN 1.614 nan 8.310 nan 0.000 0.530 6 S N 0.804 116.507 115.700 0.005 0.000 2.625 6 S HA 0.851 5.316 4.470 -0.008 0.000 0.271 6 S C -1.095 173.522 174.600 0.029 0.000 1.161 6 S CA -1.207 57.007 58.200 0.022 0.000 0.820 6 S CB 1.887 65.108 63.200 0.035 0.000 1.137 6 S HN 0.985 nan 8.310 nan 0.000 0.470 7 R N -0.915 119.613 120.500 0.046 0.000 2.752 7 R HA 0.854 5.189 4.340 -0.008 0.000 0.271 7 R C -1.548 174.805 176.300 0.087 0.000 1.026 7 R CA -0.942 55.195 56.100 0.061 0.000 0.901 7 R CB 1.175 31.491 30.300 0.027 0.000 1.243 7 R HN 1.280 nan 8.270 nan 0.000 0.463 8 V N -2.473 117.514 119.914 0.122 0.000 3.078 8 V HA 0.530 4.646 4.120 -0.008 0.000 0.311 8 V C -0.676 175.451 176.094 0.055 0.000 1.138 8 V CA -0.972 61.383 62.300 0.090 0.000 1.007 8 V CB 2.015 33.904 31.823 0.110 0.000 1.045 8 V HN 0.946 nan 8.190 nan 0.000 0.432 9 E N 1.282 121.489 120.200 0.012 0.000 1.996 9 E HA 0.261 4.606 4.350 -0.008 0.000 0.280 9 E C 0.163 176.723 176.600 -0.067 0.000 1.092 9 E CA -0.408 55.983 56.400 -0.015 0.000 0.862 9 E CB 1.433 31.125 29.700 -0.012 0.000 1.066 9 E HN 0.749 nan 8.360 nan 0.000 0.396 10 L N 5.551 126.714 121.223 -0.099 0.000 2.084 10 L HA 0.135 4.471 4.340 -0.008 0.000 0.202 10 L C 0.023 176.606 176.870 -0.477 0.000 1.074 10 L CA 1.471 56.120 54.840 -0.319 0.000 0.757 10 L CB 0.163 41.956 42.059 -0.443 0.000 0.918 10 L HN 0.412 nan 8.230 nan 0.000 0.444 11 F N 1.215 120.890 119.950 -0.459 0.000 2.313 11 F HA 0.337 4.859 4.527 -0.008 0.000 0.369 11 F C 0.392 175.996 175.800 -0.327 0.000 1.109 11 F CA -0.504 57.048 58.000 -0.747 0.000 1.132 11 F CB 0.451 38.665 39.000 -1.311 0.000 1.291 11 F HN -0.168 nan 8.300 nan 0.000 0.496 12 K N 5.181 125.574 120.400 -0.012 0.000 2.264 12 K HA 0.269 4.585 4.320 -0.008 0.000 0.277 12 K C 0.158 176.908 176.600 0.249 0.000 1.067 12 K CA -0.814 55.536 56.287 0.106 0.000 0.900 12 K CB 0.662 33.174 32.500 0.020 0.000 1.124 12 K HN 0.653 nan 8.250 nan 0.000 0.469 13 R N 3.658 124.293 120.500 0.226 0.000 2.583 13 R HA -0.108 4.227 4.340 -0.008 0.000 0.274 13 R C -0.355 175.964 176.300 0.031 0.000 0.998 13 R CA 0.296 56.477 56.100 0.134 0.000 1.081 13 R CB 0.049 30.379 30.300 0.049 0.000 0.940 13 R HN 0.723 nan 8.270 nan 0.000 0.413 14 Q N -0.088 119.692 119.800 -0.035 0.000 2.461 14 Q HA -0.296 4.039 4.340 -0.008 0.000 0.273 14 Q C 0.130 176.131 176.000 0.002 0.000 1.163 14 Q CA 1.298 57.068 55.803 -0.055 0.000 0.929 14 Q CB -1.033 27.636 28.738 -0.115 0.000 1.334 14 Q HN 0.903 nan 8.270 nan 0.000 0.499 15 S N -2.507 113.226 115.700 0.055 0.000 4.074 15 S HA 0.145 4.610 4.470 -0.008 0.000 0.220 15 S C 0.075 174.720 174.600 0.074 0.000 1.164 15 S CA 0.314 58.545 58.200 0.051 0.000 1.020 15 S CB 0.458 63.678 63.200 0.033 0.000 1.299 15 S HN 0.262 nan 8.310 nan 0.000 0.509 16 S N 2.976 118.753 115.700 0.129 0.000 2.560 16 S HA 0.391 4.856 4.470 -0.008 0.000 0.284 16 S C -0.466 174.234 174.600 0.166 0.000 1.327 16 S CA 0.004 58.270 58.200 0.109 0.000 1.055 16 S CB 0.593 63.825 63.200 0.053 0.000 0.868 16 S HN 0.501 nan 8.310 nan 0.000 0.506 17 K N 0.867 121.329 120.400 0.104 0.000 2.281 17 K HA 0.787 5.103 4.320 -0.008 0.000 0.242 17 K C -0.748 175.929 176.600 0.128 0.000 0.971 17 K CA -1.014 55.344 56.287 0.119 0.000 0.834 17 K CB 1.556 34.104 32.500 0.081 0.000 1.181 17 K HN 0.450 nan 8.250 nan 0.000 0.435 18 V N -2.593 117.421 119.914 0.168 0.000 3.078 18 V HA 0.507 4.623 4.120 -0.008 0.000 0.311 18 V C -2.909 173.308 176.094 0.206 0.000 1.138 18 V CA -2.789 59.619 62.300 0.180 0.000 1.007 18 V CB 1.847 33.804 31.823 0.223 0.000 1.045 18 V HN 0.551 nan 8.190 nan 0.000 0.432 19 P HA 0.263 nan 4.420 nan 0.000 0.260 19 P C -0.821 176.606 177.300 0.212 0.000 1.651 19 P CA 0.187 63.386 63.100 0.165 0.000 1.139 19 P CB -0.523 31.243 31.700 0.110 0.000 1.756 20 F N 3.150 123.149 119.950 0.082 0.000 2.472 20 F HA 0.157 4.679 4.527 -0.008 0.000 0.364 20 F C 0.764 176.560 175.800 -0.007 0.000 1.090 20 F CA -0.474 57.545 58.000 0.032 0.000 1.188 20 F CB 0.499 39.468 39.000 -0.053 0.000 1.105 20 F HN 0.196 nan 8.300 nan 0.000 0.536 21 E N 6.863 126.777 120.200 -0.476 0.000 2.166 21 E HA 0.384 4.729 4.350 -0.008 0.000 0.275 21 E C -1.475 174.738 176.600 -0.644 0.000 0.941 21 E CA -0.855 55.305 56.400 -0.400 0.000 0.784 21 E CB 1.169 30.741 29.700 -0.214 0.000 1.115 21 E HN 0.708 nan 8.360 nan 0.000 0.399 22 K N 3.619 123.782 120.400 -0.396 0.000 2.543 22 K HA 0.159 4.474 4.320 -0.008 0.000 0.255 22 K C -1.272 175.247 176.600 -0.135 0.000 0.934 22 K CA -0.502 55.607 56.287 -0.297 0.000 0.810 22 K CB 1.124 33.462 32.500 -0.269 0.000 1.315 22 K HN 0.582 nan 8.250 nan 0.000 0.433 23 D N 2.941 123.280 120.400 -0.102 0.000 2.751 23 D HA -0.192 4.443 4.640 -0.008 0.000 0.233 23 D C 0.642 176.913 176.300 -0.049 0.000 1.149 23 D CA 2.013 55.978 54.000 -0.059 0.000 0.682 23 D CB -1.149 39.628 40.800 -0.037 0.000 1.068 23 D HN 1.088 nan 8.370 nan 0.000 0.429 24 G N -1.168 107.597 108.800 -0.059 0.000 2.184 24 G HA2 -0.359 3.596 3.960 -0.008 0.000 0.264 24 G HA3 -0.359 3.596 3.960 -0.008 0.000 0.264 24 G C 0.363 175.242 174.900 -0.035 0.000 0.975 24 G CA 0.815 45.890 45.100 -0.041 0.000 0.642 24 G HN 0.391 nan 8.290 nan 0.000 0.536 25 K N 0.084 120.458 120.400 -0.043 0.000 2.156 25 K HA 0.681 4.997 4.320 -0.008 0.000 0.254 25 K C -0.308 176.273 176.600 -0.032 0.000 0.950 25 K CA -0.573 55.700 56.287 -0.023 0.000 0.849 25 K CB 2.414 34.910 32.500 -0.006 0.000 1.100 25 K HN 0.100 nan 8.250 nan 0.000 0.434 26 V N 2.209 122.122 119.914 -0.002 0.000 2.540 26 V HA 0.469 4.584 4.120 -0.008 0.000 0.302 26 V C -0.461 175.669 176.094 0.061 0.000 1.035 26 V CA -0.720 61.590 62.300 0.017 0.000 0.873 26 V CB 1.841 33.676 31.823 0.020 0.000 0.992 26 V HN 0.875 nan 8.190 nan 0.000 0.428 27 T N 1.775 116.399 114.554 0.117 0.000 2.916 27 T HA 0.429 4.774 4.350 -0.008 0.000 0.298 27 T C -0.787 173.998 174.700 0.141 0.000 1.031 27 T CA -0.852 61.321 62.100 0.121 0.000 0.993 27 T CB 1.985 70.926 68.868 0.122 0.000 1.045 27 T HN 0.527 nan 8.240 nan 0.000 0.454 28 E N 2.383 122.642 120.200 0.098 0.000 2.292 28 E HA 0.120 4.465 4.350 -0.008 0.000 0.265 28 E C -0.091 176.561 176.600 0.087 0.000 1.093 28 E CA 0.080 56.538 56.400 0.096 0.000 0.922 28 E CB 0.847 30.586 29.700 0.066 0.000 1.001 28 E HN 0.440 nan 8.360 nan 0.000 0.444 29 R N 2.491 123.061 120.500 0.116 0.000 2.437 29 R HA 0.306 4.641 4.340 -0.008 0.000 0.310 29 R C -0.721 175.641 176.300 0.103 0.000 0.955 29 R CA -0.675 55.470 56.100 0.076 0.000 0.851 29 R CB 1.132 31.441 30.300 0.015 0.000 1.161 29 R HN 0.184 nan 8.270 nan 0.000 0.446 30 V N 4.816 124.765 119.914 0.059 0.000 2.655 30 V HA 0.107 4.222 4.120 -0.008 0.000 0.300 30 V C 0.069 176.192 176.094 0.048 0.000 1.044 30 V CA -0.152 62.181 62.300 0.055 0.000 1.095 30 V CB 1.304 33.144 31.823 0.028 0.000 0.952 30 V HN 0.472 nan 8.190 nan 0.000 0.485 31 V N 4.258 124.171 119.914 -0.002 0.000 2.459 31 V HA 0.271 4.387 4.120 -0.008 0.000 0.295 31 V C 0.983 176.977 176.094 -0.166 0.000 1.029 31 V CA -0.455 61.752 62.300 -0.155 0.000 0.874 31 V CB 1.286 32.819 31.823 -0.483 0.000 0.985 31 V HN 0.964 nan 8.190 nan 0.000 0.438 32 H N 2.616 121.558 119.070 -0.213 0.000 2.261 32 H HA 0.058 4.609 4.556 -0.008 0.000 0.301 32 H C 0.488 175.696 175.328 -0.201 0.000 1.067 32 H CA 1.638 57.597 56.048 -0.148 0.000 1.297 32 H CB 0.648 30.356 29.762 -0.090 0.000 1.377 32 H HN 0.600 nan 8.280 nan 0.000 0.492 33 S N -0.842 114.817 115.700 -0.068 0.000 2.548 33 S HA 0.458 4.923 4.470 -0.008 0.000 0.286 33 S C -1.362 172.994 174.600 -0.407 0.000 1.098 33 S CA -0.629 57.521 58.200 -0.084 0.000 0.930 33 S CB 1.926 65.223 63.200 0.163 0.000 1.070 33 S HN 0.193 nan 8.310 nan 0.000 0.480 34 F N 1.734 121.683 119.950 -0.002 0.000 2.482 34 F HA 0.646 5.168 4.527 -0.008 0.000 0.331 34 F C 0.803 176.509 175.800 -0.156 0.000 1.115 34 F CA -0.662 57.275 58.000 -0.106 0.000 0.955 34 F CB 1.514 40.453 39.000 -0.102 0.000 1.136 34 F HN 0.256 nan 8.300 nan 0.000 0.452 35 R N 1.317 121.779 120.500 -0.062 0.000 2.846 35 R HA 0.627 4.962 4.340 -0.008 0.000 0.263 35 R C -1.401 174.835 176.300 -0.106 0.000 1.080 35 R CA -1.387 54.619 56.100 -0.156 0.000 0.961 35 R CB 1.328 31.422 30.300 -0.342 0.000 1.231 35 R HN 0.500 nan 8.270 nan 0.000 0.465 36 L N 0.681 121.881 121.223 -0.038 0.000 3.632 36 L HA -0.137 4.198 4.340 -0.008 0.000 0.510 36 L C -2.218 174.674 176.870 0.037 0.000 1.299 36 L CA 0.418 55.317 54.840 0.098 0.000 0.829 36 L CB -1.855 40.238 42.059 0.057 0.000 1.559 36 L HN 0.531 nan 8.230 nan 0.000 0.857 37 P HA 0.459 nan 4.420 nan 0.000 0.275 37 P C -0.437 176.890 177.300 0.044 0.000 1.228 37 P CA -0.078 63.008 63.100 -0.023 0.000 0.786 37 P CB 1.691 33.393 31.700 0.002 0.000 0.927 38 A N 3.308 126.155 122.820 0.046 0.000 2.442 38 A HA 0.542 4.857 4.320 -0.008 0.000 0.284 38 A C -1.519 176.147 177.584 0.136 0.000 1.058 38 A CA -0.562 51.535 52.037 0.100 0.000 0.738 38 A CB 0.785 19.847 19.000 0.104 0.000 1.242 38 A HN 0.499 nan 8.150 nan 0.000 0.421 39 L N 4.182 125.504 121.223 0.164 0.000 2.349 39 L HA 0.843 5.178 4.340 -0.008 0.000 0.278 39 L C -0.426 176.564 176.870 0.200 0.000 0.996 39 L CA -0.346 54.619 54.840 0.208 0.000 0.825 39 L CB 1.796 44.008 42.059 0.254 0.000 1.243 39 L HN 1.109 nan 8.230 nan 0.000 0.412 40 V N 1.907 121.939 119.914 0.197 0.000 3.156 40 V HA 0.743 4.859 4.120 -0.008 0.000 0.310 40 V C -1.411 174.766 176.094 0.138 0.000 1.234 40 V CA -0.775 61.623 62.300 0.164 0.000 1.065 40 V CB 2.174 34.088 31.823 0.152 0.000 1.088 40 V HN 0.840 nan 8.190 nan 0.000 0.451 41 N N 0.568 119.332 118.700 0.107 0.000 2.442 41 N HA 0.580 5.316 4.740 -0.008 0.000 0.274 41 N C -1.309 174.231 175.510 0.050 0.000 1.002 41 N CA -0.418 52.673 53.050 0.070 0.000 0.910 41 N CB 1.678 40.202 38.487 0.061 0.000 1.244 41 N HN 0.744 nan 8.380 nan 0.000 0.492 42 V N 3.353 123.284 119.914 0.029 0.000 2.275 42 V HA 0.263 4.378 4.120 -0.008 0.000 0.272 42 V C 0.294 176.378 176.094 -0.016 0.000 1.028 42 V CA -0.671 61.633 62.300 0.006 0.000 0.810 42 V CB 0.394 32.209 31.823 -0.013 0.000 1.043 42 V HN 0.861 nan 8.190 nan 0.000 0.453 43 D N 3.949 124.343 120.400 -0.010 0.000 2.811 43 D HA -0.187 4.448 4.640 -0.008 0.000 0.231 43 D C 1.277 177.561 176.300 -0.026 0.000 1.157 43 D CA 2.293 56.282 54.000 -0.020 0.000 0.716 43 D CB -1.061 39.722 40.800 -0.029 0.000 1.077 43 D HN 1.278 nan 8.370 nan 0.000 0.428 44 G N -2.858 105.929 108.800 -0.023 0.000 2.253 44 G HA2 -0.197 3.758 3.960 -0.008 0.000 0.209 44 G HA3 -0.197 3.758 3.960 -0.008 0.000 0.209 44 G C 0.199 175.075 174.900 -0.040 0.000 0.997 44 G CA -0.052 45.030 45.100 -0.030 0.000 0.640 44 G HN 0.799 nan 8.290 nan 0.000 0.496 45 V N 2.932 122.823 119.914 -0.037 0.000 2.370 45 V HA 0.582 4.697 4.120 -0.008 0.000 0.283 45 V C 0.824 176.909 176.094 -0.015 0.000 1.023 45 V CA -0.410 61.866 62.300 -0.039 0.000 0.857 45 V CB 1.546 33.339 31.823 -0.049 0.000 0.985 45 V HN 0.373 nan 8.190 nan 0.000 0.443 46 M N 4.852 124.421 119.600 -0.051 0.000 2.219 46 M HA 0.368 4.844 4.480 -0.008 0.000 0.353 46 M C -0.855 175.525 176.300 0.134 0.000 1.304 46 M CA 0.180 55.475 55.300 -0.008 0.000 1.115 46 M CB 1.127 33.628 32.600 -0.166 0.000 1.664 46 M HN 0.448 nan 8.290 nan 0.000 0.459 47 V N 2.964 123.013 119.914 0.225 0.000 2.656 47 V HA 0.776 4.891 4.120 -0.008 0.000 0.307 47 V C -0.530 175.773 176.094 0.347 0.000 1.051 47 V CA -0.948 61.547 62.300 0.326 0.000 0.893 47 V CB 1.795 33.772 31.823 0.256 0.000 0.999 47 V HN 0.906 nan 8.190 nan 0.000 0.426 48 A N 5.454 128.504 122.820 0.384 0.000 2.343 48 A HA 0.927 5.242 4.320 -0.008 0.000 0.308 48 A C -0.988 176.744 177.584 0.246 0.000 1.092 48 A CA -0.414 51.795 52.037 0.288 0.000 0.751 48 A CB 0.873 20.020 19.000 0.245 0.000 1.203 48 A HN 0.756 nan 8.150 nan 0.000 0.452 49 I N 1.215 121.867 120.570 0.138 0.000 2.740 49 I HA 0.822 4.988 4.170 -0.008 0.000 0.303 49 I C 0.360 176.444 176.117 -0.054 0.000 1.044 49 I CA -0.291 61.055 61.300 0.078 0.000 1.064 49 I CB 2.331 40.401 38.000 0.116 0.000 1.249 49 I HN 0.925 nan 8.210 nan 0.000 0.433 50 A N 3.100 125.870 122.820 -0.083 0.000 2.457 50 A HA 0.486 4.801 4.320 -0.008 0.000 0.305 50 A C -2.087 175.450 177.584 -0.078 0.000 1.110 50 A CA -0.639 51.319 52.037 -0.132 0.000 0.616 50 A CB 0.870 19.670 19.000 -0.334 0.000 1.371 50 A HN 0.512 nan 8.150 nan 0.000 0.525 51 D N 0.877 121.230 120.400 -0.079 0.000 2.225 51 D HA 0.585 5.221 4.640 -0.008 0.000 0.248 51 D C -0.067 176.189 176.300 -0.073 0.000 1.096 51 D CA 0.778 54.727 54.000 -0.085 0.000 0.863 51 D CB 1.613 42.341 40.800 -0.120 0.000 1.156 51 D HN 0.871 nan 8.370 nan 0.000 0.450 52 A N 3.864 126.590 122.820 -0.156 0.000 2.273 52 A HA 0.362 4.677 4.320 -0.008 0.000 0.320 52 A C 0.060 177.339 177.584 -0.508 0.000 1.358 52 A CA -0.709 51.103 52.037 -0.374 0.000 0.910 52 A CB 0.263 19.009 19.000 -0.423 0.000 1.159 52 A HN 0.412 nan 8.150 nan 0.000 0.526 53 R N 3.309 123.533 120.500 -0.459 0.000 2.408 53 R HA 0.209 4.544 4.340 -0.008 0.000 0.308 53 R C -0.298 175.840 176.300 -0.271 0.000 1.210 53 R CA -0.154 55.764 56.100 -0.303 0.000 1.115 53 R CB 0.117 30.279 30.300 -0.229 0.000 1.127 53 R HN 0.864 nan 8.270 nan 0.000 0.523 54 Y N 1.443 121.656 120.300 -0.145 0.000 2.040 54 Y HA -0.320 4.226 4.550 -0.008 0.000 0.275 54 Y C 1.756 177.589 175.900 -0.111 0.000 1.171 54 Y CA 1.781 59.796 58.100 -0.142 0.000 1.123 54 Y CB 0.215 38.581 38.460 -0.157 0.000 0.963 54 Y HN 0.520 nan 8.280 nan 0.000 0.493 55 E N -1.923 118.299 120.200 0.036 0.000 2.340 55 E HA 0.091 4.437 4.350 -0.008 0.000 0.198 55 E C 0.434 176.900 176.600 -0.224 0.000 0.961 55 E CA 0.686 57.064 56.400 -0.038 0.000 0.905 55 E CB 0.883 30.564 29.700 -0.031 0.000 0.884 55 E HN 0.156 nan 8.360 nan 0.000 0.491 56 T N -1.674 112.670 114.554 -0.351 0.000 2.775 56 T HA 0.083 4.428 4.350 -0.008 0.000 0.320 56 T C 0.127 174.594 174.700 -0.388 0.000 1.597 56 T CA -0.099 61.628 62.100 -0.621 0.000 1.022 56 T CB 1.097 69.808 68.868 -0.263 0.000 1.485 56 T HN -0.039 nan 8.240 nan 0.000 0.494 57 S N 1.567 117.099 115.700 -0.279 0.000 2.562 57 S HA 0.199 4.664 4.470 -0.008 0.000 0.221 57 S C 0.645 175.211 174.600 -0.058 0.000 0.975 57 S CA -0.352 57.789 58.200 -0.097 0.000 0.918 57 S CB -0.638 62.627 63.200 0.110 0.000 0.772 57 S HN 0.621 nan 8.310 nan 0.000 0.531 58 F N 3.738 123.594 119.950 -0.156 0.000 2.607 58 F HA 0.154 4.677 4.527 -0.007 0.000 0.374 58 F C 0.888 176.612 175.800 -0.126 0.000 1.104 58 F CA -0.647 57.278 58.000 -0.124 0.000 1.296 58 F CB 0.270 39.190 39.000 -0.133 0.000 1.085 58 F HN -0.035 nan 8.300 nan 0.000 0.584 59 D N 2.769 122.777 120.400 -0.654 0.000 2.182 59 D HA -0.193 4.443 4.640 -0.008 0.000 0.201 59 D C 0.277 176.187 176.300 -0.650 0.000 0.986 59 D CA 1.468 55.152 54.000 -0.527 0.000 0.847 59 D CB -0.119 40.539 40.800 -0.237 0.000 0.942 59 D HN 0.486 nan 8.370 nan 0.000 0.467 60 N N 0.910 118.895 118.700 -1.191 0.000 3.234 60 N HA 0.119 4.854 4.740 -0.008 0.000 0.272 60 N C -0.382 175.012 175.510 -0.195 0.000 1.254 60 N CA -0.029 52.648 53.050 -0.621 0.000 1.087 60 N CB 0.945 39.089 38.487 -0.572 0.000 1.356 60 N HN 0.046 nan 8.380 nan 0.000 0.511 61 S N -0.777 114.857 115.700 -0.110 0.000 2.819 61 S HA 0.444 4.909 4.470 -0.008 0.000 0.299 61 S C -0.553 174.055 174.600 0.012 0.000 1.192 61 S CA -0.897 57.315 58.200 0.020 0.000 0.847 61 S CB 1.282 64.520 63.200 0.062 0.000 1.224 61 S HN 0.130 nan 8.310 nan 0.000 0.537 62 L N 1.490 122.744 121.223 0.052 0.000 2.500 62 L HA 0.519 4.855 4.340 -0.008 0.000 0.272 62 L C -1.086 175.896 176.870 0.187 0.000 1.149 62 L CA 0.494 55.405 54.840 0.119 0.000 0.897 62 L CB -0.858 41.275 42.059 0.123 0.000 1.178 62 L HN 0.547 nan 8.230 nan 0.000 0.473 63 I N 4.059 124.727 120.570 0.163 0.000 2.571 63 I HA 0.351 4.516 4.170 -0.008 0.000 0.289 63 I C -1.056 175.132 176.117 0.118 0.000 1.115 63 I CA -0.805 60.547 61.300 0.086 0.000 1.045 63 I CB 1.998 39.981 38.000 -0.028 0.000 1.238 63 I HN 0.391 nan 8.210 nan 0.000 0.424 64 D N 2.942 123.406 120.400 0.107 0.000 2.340 64 D HA 0.429 5.064 4.640 -0.008 0.000 0.243 64 D C -0.496 175.788 176.300 -0.026 0.000 0.988 64 D CA -0.237 53.818 54.000 0.092 0.000 0.959 64 D CB 2.309 43.253 40.800 0.239 0.000 1.226 64 D HN 0.323 nan 8.370 nan 0.000 0.509 65 T N 0.591 115.114 114.554 -0.052 0.000 2.738 65 T HA 0.336 4.681 4.350 -0.008 0.000 0.298 65 T C -0.028 174.620 174.700 -0.087 0.000 0.962 65 T CA -0.382 61.665 62.100 -0.088 0.000 0.972 65 T CB 0.717 69.499 68.868 -0.143 0.000 0.928 65 T HN 0.085 nan 8.240 nan 0.000 0.474 66 V N 3.118 123.024 119.914 -0.014 0.000 2.716 66 V HA 0.904 5.019 4.120 -0.008 0.000 0.304 66 V C -0.349 175.795 176.094 0.082 0.000 1.053 66 V CA -0.560 61.772 62.300 0.055 0.000 0.984 66 V CB 1.277 33.215 31.823 0.191 0.000 1.021 66 V HN 1.018 nan 8.190 nan 0.000 0.467 67 A N 5.550 128.445 122.820 0.125 0.000 2.454 67 A HA 0.875 5.191 4.320 -0.008 0.000 0.302 67 A C -0.813 176.931 177.584 0.266 0.000 1.079 67 A CA -0.869 51.310 52.037 0.237 0.000 0.731 67 A CB 1.697 20.884 19.000 0.311 0.000 1.299 67 A HN 0.836 nan 8.150 nan 0.000 0.413 68 K N 0.236 120.818 120.400 0.303 0.000 2.469 68 K HA 0.649 4.964 4.320 -0.008 0.000 0.254 68 K C -1.888 175.009 176.600 0.495 0.000 0.939 68 K CA -0.506 55.904 56.287 0.206 0.000 0.812 68 K CB 2.431 34.844 32.500 -0.144 0.000 1.301 68 K HN 0.789 nan 8.250 nan 0.000 0.433 69 Y N -2.101 118.439 120.300 0.399 0.000 2.609 69 Y HA 0.690 5.236 4.550 -0.008 0.000 0.336 69 Y C -0.984 174.880 175.900 -0.061 0.000 1.129 69 Y CA -1.047 57.192 58.100 0.232 0.000 1.040 69 Y CB 1.898 40.434 38.460 0.125 0.000 1.310 69 Y HN 0.452 nan 8.280 nan 0.000 0.460 70 S N 0.856 116.438 115.700 -0.197 0.000 2.536 70 S HA 0.546 5.011 4.470 -0.008 0.000 0.271 70 S C -0.647 173.787 174.600 -0.277 0.000 1.134 70 S CA -0.112 57.789 58.200 -0.497 0.000 0.897 70 S CB 1.528 63.942 63.200 -1.310 0.000 1.094 70 S HN 1.636 nan 8.310 nan 0.000 0.473 71 V N 0.369 120.161 119.914 -0.204 0.000 3.319 71 V HA 0.456 4.571 4.120 -0.008 0.000 0.317 71 V C 0.170 176.173 176.094 -0.151 0.000 1.411 71 V CA 0.461 62.681 62.300 -0.134 0.000 1.112 71 V CB -0.301 31.483 31.823 -0.066 0.000 1.031 71 V HN 0.821 nan 8.190 nan 0.000 0.448 72 D N -1.289 118.977 120.400 -0.223 0.000 2.788 72 D HA 0.168 4.803 4.640 -0.008 0.000 0.289 72 D C 0.120 176.315 176.300 -0.175 0.000 1.340 72 D CA -0.359 53.540 54.000 -0.167 0.000 0.831 72 D CB -0.399 40.317 40.800 -0.141 0.000 1.103 72 D HN 0.205 nan 8.370 nan 0.000 0.476 73 D N 0.177 120.451 120.400 -0.210 0.000 2.837 73 D HA -0.151 4.484 4.640 -0.008 0.000 0.230 73 D C 1.263 177.458 176.300 -0.176 0.000 1.152 73 D CA 1.615 55.516 54.000 -0.165 0.000 0.736 73 D CB -1.384 39.425 40.800 0.016 0.000 1.084 73 D HN 0.737 nan 8.370 nan 0.000 0.429 74 G N -0.574 107.943 108.800 -0.471 0.000 2.179 74 G HA2 -0.336 3.619 3.960 -0.008 0.000 0.220 74 G HA3 -0.336 3.619 3.960 -0.008 0.000 0.220 74 G C 0.762 175.578 174.900 -0.140 0.000 0.990 74 G CA 0.674 45.512 45.100 -0.437 0.000 0.646 74 G HN 0.418 nan 8.290 nan 0.000 0.517 75 E N 0.547 120.652 120.200 -0.158 0.000 2.051 75 E HA 0.183 4.528 4.350 -0.008 0.000 0.189 75 E C 1.613 178.170 176.600 -0.072 0.000 0.979 75 E CA 1.835 58.210 56.400 -0.041 0.000 0.803 75 E CB 0.126 29.809 29.700 -0.028 0.000 0.761 75 E HN 0.767 nan 8.360 nan 0.000 0.451 76 T N -2.480 111.925 114.554 -0.248 0.000 2.907 76 T HA 0.619 4.964 4.350 -0.008 0.000 0.292 76 T C -1.033 173.425 174.700 -0.404 0.000 1.043 76 T CA -0.953 61.043 62.100 -0.173 0.000 1.003 76 T CB 1.111 69.910 68.868 -0.115 0.000 1.084 76 T HN 0.073 nan 8.240 nan 0.000 0.483 77 W N -0.064 121.096 121.300 -0.233 0.000 3.033 77 W HA 0.643 5.298 4.660 -0.009 0.000 0.336 77 W C -0.201 176.106 176.519 -0.353 0.000 1.173 77 W CA -0.781 56.377 57.345 -0.311 0.000 1.185 77 W CB 1.455 30.703 29.460 -0.352 0.000 1.425 77 W HN 0.571 nan 8.180 nan 0.000 0.536 78 E N 0.656 120.671 120.200 -0.308 0.000 2.232 78 E HA 0.673 5.018 4.350 -0.008 0.000 0.264 78 E C -0.829 175.584 176.600 -0.313 0.000 0.973 78 E CA -0.585 55.574 56.400 -0.401 0.000 0.849 78 E CB 2.083 31.366 29.700 -0.696 0.000 1.198 78 E HN 0.247 nan 8.360 nan 0.000 0.407 79 T N 1.632 116.093 114.554 -0.154 0.000 2.876 79 T HA 0.485 4.830 4.350 -0.008 0.000 0.289 79 T C -0.514 174.220 174.700 0.057 0.000 1.014 79 T CA -0.867 61.200 62.100 -0.055 0.000 0.986 79 T CB 1.786 70.609 68.868 -0.075 0.000 1.021 79 T HN 0.469 nan 8.240 nan 0.000 0.458 80 Q N 1.553 121.426 119.800 0.120 0.000 2.575 80 Q HA 0.512 4.847 4.340 -0.008 0.000 0.290 80 Q C -1.929 174.127 176.000 0.092 0.000 0.963 80 Q CA -1.034 54.855 55.803 0.145 0.000 0.783 80 Q CB 1.235 30.120 28.738 0.245 0.000 1.467 80 Q HN 0.399 nan 8.270 nan 0.000 0.402 81 I N 1.939 122.538 120.570 0.048 0.000 2.315 81 I HA 0.341 4.507 4.170 -0.008 0.000 0.291 81 I C 0.730 176.712 176.117 -0.225 0.000 1.006 81 I CA -0.166 61.113 61.300 -0.035 0.000 1.265 81 I CB 0.876 38.890 38.000 0.024 0.000 1.387 81 I HN 0.969 nan 8.210 nan 0.000 0.475 82 A N 7.571 130.102 122.820 -0.481 0.000 1.984 82 A HA 0.334 4.649 4.320 -0.008 0.000 0.214 82 A C 0.820 177.963 177.584 -0.735 0.000 1.173 82 A CA 0.831 52.161 52.037 -1.179 0.000 0.673 82 A CB 0.241 18.192 19.000 -1.749 0.000 0.830 82 A HN 0.611 nan 8.150 nan 0.000 0.453 83 I N 0.662 120.993 120.570 -0.398 0.000 2.548 83 I HA 0.235 4.401 4.170 -0.008 0.000 0.287 83 I C -0.812 175.233 176.117 -0.119 0.000 1.103 83 I CA -0.794 60.374 61.300 -0.220 0.000 1.049 83 I CB 2.091 39.971 38.000 -0.200 0.000 1.232 83 I HN 0.247 nan 8.210 nan 0.000 0.429 84 K N 5.847 126.197 120.400 -0.084 0.000 2.110 84 K HA 0.466 4.781 4.320 -0.008 0.000 0.263 84 K C -0.398 176.173 176.600 -0.049 0.000 0.975 84 K CA -0.740 55.517 56.287 -0.050 0.000 0.895 84 K CB 1.554 34.011 32.500 -0.071 0.000 1.060 84 K HN 0.708 nan 8.250 nan 0.000 0.448 85 N N 0.612 119.301 118.700 -0.019 0.000 2.347 85 N HA -0.094 4.642 4.740 -0.008 0.000 0.253 85 N C 0.592 176.080 175.510 -0.037 0.000 1.274 85 N CA -0.188 52.849 53.050 -0.022 0.000 0.941 85 N CB 1.056 39.555 38.487 0.020 0.000 1.200 85 N HN 0.785 nan 8.380 nan 0.000 0.514 86 S N -0.295 115.383 115.700 -0.037 0.000 2.507 86 S HA -0.096 4.369 4.470 -0.008 0.000 0.235 86 S C 0.550 175.129 174.600 -0.034 0.000 0.988 86 S CA 0.028 58.203 58.200 -0.042 0.000 0.944 86 S CB -0.379 62.796 63.200 -0.043 0.000 0.762 86 S HN 0.688 nan 8.310 nan 0.000 0.526 87 R N -0.550 119.936 120.500 -0.023 0.000 3.770 87 R HA -0.181 4.154 4.340 -0.008 0.000 0.305 87 R C 0.998 177.293 176.300 -0.008 0.000 1.184 87 R CA 0.867 56.956 56.100 -0.019 0.000 0.823 87 R CB -2.707 27.563 30.300 -0.051 0.000 1.285 87 R HN 0.697 nan 8.270 nan 0.000 0.499 88 A N -0.186 122.633 122.820 -0.001 0.000 2.021 88 A HA 0.139 4.455 4.320 -0.008 0.000 0.216 88 A C 1.048 178.638 177.584 0.010 0.000 1.163 88 A CA 1.435 53.473 52.037 0.003 0.000 0.676 88 A CB 0.237 19.239 19.000 0.004 0.000 0.818 88 A HN 0.645 nan 8.150 nan 0.000 0.453 89 S N -2.332 113.379 115.700 0.018 0.000 2.688 89 S HA 0.352 4.817 4.470 -0.008 0.000 0.275 89 S C 0.606 175.220 174.600 0.024 0.000 1.175 89 S CA 0.439 58.651 58.200 0.019 0.000 0.818 89 S CB 0.627 63.840 63.200 0.022 0.000 1.157 89 S HN 0.788 nan 8.310 nan 0.000 0.482 90 S N -0.209 115.502 115.700 0.018 0.000 2.603 90 S HA 0.028 4.494 4.470 -0.008 0.000 0.229 90 S C 1.156 175.772 174.600 0.027 0.000 0.972 90 S CA 0.659 58.869 58.200 0.017 0.000 0.935 90 S CB -0.988 62.214 63.200 0.004 0.000 0.769 90 S HN 1.747 nan 8.310 nan 0.000 0.536 91 V N -2.486 117.449 119.914 0.035 0.000 3.078 91 V HA 0.457 4.572 4.120 -0.008 0.000 0.344 91 V C 0.062 176.187 176.094 0.051 0.000 1.409 91 V CA -0.723 61.603 62.300 0.043 0.000 1.146 91 V CB -0.441 31.408 31.823 0.044 0.000 1.126 91 V HN 0.249 nan 8.190 nan 0.000 0.513 92 S N 2.974 118.708 115.700 0.057 0.000 2.579 92 S HA 0.672 5.137 4.470 -0.008 0.000 0.275 92 S C 0.153 174.796 174.600 0.072 0.000 1.345 92 S CA -0.225 58.015 58.200 0.066 0.000 1.031 92 S CB 0.480 63.708 63.200 0.046 0.000 0.892 92 S HN 0.965 nan 8.310 nan 0.000 0.529 93 R N -1.192 119.355 120.500 0.078 0.000 2.664 93 R HA 0.533 4.869 4.340 -0.008 0.000 0.260 93 R C -2.002 174.325 176.300 0.045 0.000 1.062 93 R CA -1.041 55.098 56.100 0.065 0.000 0.902 93 R CB 0.476 30.807 30.300 0.050 0.000 1.258 93 R HN 0.403 nan 8.270 nan 0.000 0.465 94 V N 0.017 119.932 119.914 0.001 0.000 2.417 94 V HA 0.787 4.903 4.120 -0.008 0.000 0.291 94 V C 0.492 176.557 176.094 -0.049 0.000 1.024 94 V CA -0.694 61.576 62.300 -0.050 0.000 0.861 94 V CB 0.965 32.739 31.823 -0.082 0.000 0.985 94 V HN 0.701 nan 8.190 nan 0.000 0.436 95 V N 0.130 120.008 119.914 -0.060 0.000 3.113 95 V HA 0.665 4.780 4.120 -0.008 0.000 0.316 95 V C 0.074 176.104 176.094 -0.107 0.000 1.125 95 V CA -0.828 61.428 62.300 -0.073 0.000 1.026 95 V CB 1.656 33.447 31.823 -0.054 0.000 1.080 95 V HN 0.889 nan 8.190 nan 0.000 0.444 96 D N 0.985 121.329 120.400 -0.094 0.000 2.755 96 D HA -0.107 4.528 4.640 -0.008 0.000 0.227 96 D C -2.224 174.037 176.300 -0.066 0.000 1.211 96 D CA 0.937 54.891 54.000 -0.076 0.000 0.663 96 D CB -0.968 39.759 40.800 -0.121 0.000 0.983 96 D HN 0.744 nan 8.370 nan 0.000 0.407 97 P HA 0.027 nan 4.420 nan 0.000 0.267 97 P C -0.277 177.047 177.300 0.039 0.000 1.209 97 P CA 0.311 63.397 63.100 -0.023 0.000 0.763 97 P CB 0.887 32.576 31.700 -0.020 0.000 0.816 98 T N 2.762 117.359 114.554 0.072 0.000 2.824 98 T HA 0.411 4.756 4.350 -0.008 0.000 0.282 98 T C -0.114 174.801 174.700 0.359 0.000 0.993 98 T CA -0.480 61.739 62.100 0.199 0.000 0.967 98 T CB 1.289 70.278 68.868 0.202 0.000 0.960 98 T HN 0.083 nan 8.240 nan 0.000 0.441 99 V N 4.296 124.404 119.914 0.324 0.000 2.555 99 V HA 0.598 4.713 4.120 -0.008 0.000 0.302 99 V C -0.446 175.790 176.094 0.236 0.000 1.038 99 V CA -0.847 61.638 62.300 0.309 0.000 0.887 99 V CB 1.822 33.787 31.823 0.237 0.000 0.991 99 V HN 0.801 nan 8.190 nan 0.000 0.434 100 I N 3.868 124.578 120.570 0.234 0.000 2.498 100 I HA 0.482 4.647 4.170 -0.008 0.000 0.290 100 I C -0.764 175.471 176.117 0.196 0.000 1.032 100 I CA -0.875 60.497 61.300 0.121 0.000 1.073 100 I CB 2.290 40.255 38.000 -0.058 0.000 1.251 100 I HN 0.253 nan 8.210 nan 0.000 0.426 101 V N 6.290 126.284 119.914 0.132 0.000 2.427 101 V HA 0.441 4.556 4.120 -0.008 0.000 0.286 101 V C -0.157 176.000 176.094 0.105 0.000 1.034 101 V CA -0.468 61.911 62.300 0.133 0.000 0.893 101 V CB 1.619 33.499 31.823 0.096 0.000 0.982 101 V HN 0.644 nan 8.190 nan 0.000 0.452 102 K N 3.409 123.892 120.400 0.139 0.000 2.615 102 K HA 0.568 4.883 4.320 -0.008 0.000 0.249 102 K C 0.517 177.170 176.600 0.087 0.000 0.977 102 K CA 0.348 56.694 56.287 0.099 0.000 0.833 102 K CB 1.503 34.060 32.500 0.094 0.000 1.208 102 K HN 0.915 nan 8.250 nan 0.000 0.443 103 G N 3.708 112.533 108.800 0.041 0.000 2.596 103 G HA2 -0.397 3.558 3.960 -0.008 0.000 0.304 103 G HA3 -0.397 3.558 3.960 -0.008 0.000 0.304 103 G C 0.067 174.970 174.900 0.004 0.000 1.189 103 G CA 0.638 45.749 45.100 0.019 0.000 0.986 103 G HN 0.839 nan 8.290 nan 0.000 0.548 104 N N 1.112 119.803 118.700 -0.015 0.000 2.275 104 N HA 0.195 4.931 4.740 -0.008 0.000 0.236 104 N C -0.043 175.416 175.510 -0.086 0.000 1.154 104 N CA 0.161 53.180 53.050 -0.051 0.000 0.866 104 N CB 0.490 38.936 38.487 -0.068 0.000 1.093 104 N HN 0.595 nan 8.380 nan 0.000 0.515 105 K N 0.696 121.066 120.400 -0.050 0.000 2.208 105 K HA 0.467 4.782 4.320 -0.008 0.000 0.247 105 K C -0.579 175.978 176.600 -0.072 0.000 0.953 105 K CA -0.673 55.536 56.287 -0.131 0.000 0.837 105 K CB 2.336 34.733 32.500 -0.172 0.000 1.131 105 K HN 0.028 nan 8.250 nan 0.000 0.431 106 L N 2.326 123.439 121.223 -0.184 0.000 2.325 106 L HA 0.379 4.714 4.340 -0.008 0.000 0.281 106 L C -1.067 175.785 176.870 -0.031 0.000 1.004 106 L CA -0.777 54.059 54.840 -0.006 0.000 0.823 106 L CB 0.775 42.838 42.059 0.007 0.000 1.236 106 L HN 0.457 nan 8.230 nan 0.000 0.415 107 Y N 3.091 123.507 120.300 0.193 0.000 2.369 107 Y HA 0.481 5.028 4.550 -0.005 0.000 0.337 107 Y C -0.175 175.928 175.900 0.338 0.000 0.961 107 Y CA -0.801 57.462 58.100 0.272 0.000 1.186 107 Y CB 1.569 40.206 38.460 0.294 0.000 1.139 107 Y HN 0.161 nan 8.280 nan 0.000 0.494 108 V N 5.774 125.934 119.914 0.411 0.000 2.357 108 V HA 0.292 4.407 4.120 -0.008 0.000 0.284 108 V C -0.643 175.540 176.094 0.148 0.000 1.018 108 V CA -0.796 61.681 62.300 0.295 0.000 0.841 108 V CB 1.523 33.478 31.823 0.221 0.000 0.991 108 V HN 0.489 nan 8.190 nan 0.000 0.437 109 L N 7.791 129.035 121.223 0.035 0.000 2.282 109 L HA 0.808 5.143 4.340 -0.008 0.000 0.288 109 L C -0.274 176.469 176.870 -0.211 0.000 1.033 109 L CA 0.094 54.806 54.840 -0.214 0.000 0.807 109 L CB 1.526 43.196 42.059 -0.647 0.000 1.209 109 L HN 0.596 nan 8.230 nan 0.000 0.423 110 V N 1.924 121.697 119.914 -0.234 0.000 3.007 110 V HA 0.964 5.079 4.120 -0.008 0.000 0.311 110 V C 0.229 176.128 176.094 -0.326 0.000 1.120 110 V CA -0.365 61.793 62.300 -0.236 0.000 0.980 110 V CB 1.151 32.871 31.823 -0.172 0.000 1.033 110 V HN 0.839 nan 8.190 nan 0.000 0.429 111 G N 0.610 109.224 108.800 -0.310 0.000 2.507 111 G HA2 0.545 4.500 3.960 -0.008 0.000 0.271 111 G HA3 0.545 4.500 3.960 -0.008 0.000 0.271 111 G C -0.384 174.295 174.900 -0.368 0.000 1.189 111 G CA -0.027 44.835 45.100 -0.398 0.000 0.859 111 G HN 1.359 nan 8.290 nan 0.000 0.542 112 S N -0.168 115.187 115.700 -0.576 0.000 2.677 112 S HA 0.629 5.094 4.470 -0.008 0.000 0.283 112 S C -1.567 172.725 174.600 -0.513 0.000 1.159 112 S CA -0.675 57.283 58.200 -0.405 0.000 1.001 112 S CB 0.496 63.492 63.200 -0.339 0.000 1.032 112 S HN 0.433 nan 8.310 nan 0.000 0.487 113 Y N 3.430 123.694 120.300 -0.060 0.000 2.468 113 Y HA 0.503 5.048 4.550 -0.008 0.000 0.342 113 Y C 1.266 177.166 175.900 0.002 0.000 1.021 113 Y CA -0.892 57.215 58.100 0.011 0.000 1.079 113 Y CB 1.595 40.090 38.460 0.059 0.000 1.226 113 Y HN 0.580 nan 8.280 nan 0.000 0.460 114 N N 0.197 118.995 118.700 0.163 0.000 2.333 114 N HA -0.053 4.682 4.740 -0.008 0.000 0.183 114 N C 0.860 176.424 175.510 0.090 0.000 1.030 114 N CA 1.451 54.554 53.050 0.088 0.000 0.867 114 N CB 0.124 38.641 38.487 0.050 0.000 1.027 114 N HN 0.604 nan 8.380 nan 0.000 0.435 115 S N -1.950 113.813 115.700 0.104 0.000 2.904 115 S HA 0.175 4.641 4.470 -0.008 0.000 0.260 115 S C 0.201 174.833 174.600 0.053 0.000 1.000 115 S CA -0.575 57.665 58.200 0.067 0.000 1.274 115 S CB -0.082 63.143 63.200 0.041 0.000 1.196 115 S HN 0.087 nan 8.310 nan 0.000 0.678 116 S N 1.342 117.086 115.700 0.072 0.000 2.572 116 S HA 0.403 4.868 4.470 -0.008 0.000 0.279 116 S C 0.690 175.298 174.600 0.014 0.000 1.341 116 S CA -0.388 57.826 58.200 0.024 0.000 1.043 116 S CB 0.684 63.898 63.200 0.024 0.000 0.887 116 S HN 0.519 nan 8.310 nan 0.000 0.516 117 R N 1.864 122.371 120.500 0.011 0.000 2.468 117 R HA 0.269 4.604 4.340 -0.008 0.000 0.280 117 R C -0.288 176.018 176.300 0.011 0.000 0.963 117 R CA -0.122 56.003 56.100 0.042 0.000 1.083 117 R CB 0.664 31.003 30.300 0.065 0.000 1.200 117 R HN 0.438 nan 8.270 nan 0.000 0.541 118 S N -0.140 115.561 115.700 0.003 0.000 2.549 118 S HA 0.328 4.794 4.470 -0.008 0.000 0.297 118 S C -0.579 174.027 174.600 0.010 0.000 1.115 118 S CA -0.729 57.478 58.200 0.011 0.000 1.059 118 S CB 0.904 64.178 63.200 0.123 0.000 1.046 118 S HN 0.106 nan 8.310 nan 0.000 0.506 119 Y N 3.024 123.351 120.300 0.045 0.000 2.712 119 Y HA -0.098 4.447 4.550 -0.008 0.000 0.333 119 Y C 1.681 177.523 175.900 -0.097 0.000 1.225 119 Y CA -0.030 58.049 58.100 -0.035 0.000 1.499 119 Y CB 0.382 38.818 38.460 -0.040 0.000 1.288 119 Y HN 0.881 nan 8.280 nan 0.000 0.575 120 W N 1.834 122.987 121.300 -0.245 0.000 2.363 120 W HA -0.196 4.458 4.660 -0.009 0.000 0.296 120 W C 1.473 177.763 176.519 -0.382 0.000 1.212 120 W CA 1.733 58.706 57.345 -0.621 0.000 1.260 120 W CB -1.597 27.623 29.460 -0.401 0.000 1.131 120 W HN 0.607 nan 8.180 nan 0.000 0.530 121 T N -0.365 113.618 114.554 -0.952 0.000 3.098 121 T HA -0.077 4.268 4.350 -0.008 0.000 0.266 121 T C 1.701 176.186 174.700 -0.359 0.000 1.145 121 T CA 1.392 62.954 62.100 -0.897 0.000 1.092 121 T CB -0.730 67.620 68.868 -0.863 0.000 0.908 121 T HN 0.266 nan 8.240 nan 0.000 0.526 122 S N -0.313 115.295 115.700 -0.152 0.000 2.540 122 S HA 0.184 4.649 4.470 -0.008 0.000 0.218 122 S C 0.110 174.798 174.600 0.146 0.000 0.977 122 S CA -0.793 57.413 58.200 0.011 0.000 0.918 122 S CB -0.470 62.772 63.200 0.070 0.000 0.806 122 S HN 0.540 nan 8.310 nan 0.000 0.496 123 H N 1.283 120.345 119.070 -0.013 0.000 2.815 123 H HA 0.452 5.004 4.556 -0.008 0.000 0.350 123 H C 1.572 176.904 175.328 0.006 0.000 1.080 123 H CA 0.400 56.464 56.048 0.027 0.000 1.433 123 H CB 0.686 30.500 29.762 0.087 0.000 1.432 123 H HN 0.322 nan 8.280 nan 0.000 0.592 124 G N 1.218 110.093 108.800 0.125 0.000 2.683 124 G HA2 0.029 3.984 3.960 -0.008 0.000 0.213 124 G HA3 0.029 3.984 3.960 -0.008 0.000 0.213 124 G C -0.211 174.732 174.900 0.072 0.000 1.142 124 G CA 0.608 45.748 45.100 0.066 0.000 0.793 124 G HN 0.746 nan 8.290 nan 0.000 0.534 125 D N -2.828 117.637 120.400 0.108 0.000 2.825 125 D HA 0.530 5.165 4.640 -0.008 0.000 0.327 125 D C 0.366 176.765 176.300 0.166 0.000 1.277 125 D CA -0.094 53.969 54.000 0.105 0.000 0.950 125 D CB 0.722 41.565 40.800 0.073 0.000 1.438 125 D HN -0.055 nan 8.370 nan 0.000 0.526 126 A N -0.725 122.192 122.820 0.162 0.000 2.423 126 A HA 0.151 4.466 4.320 -0.008 0.000 0.246 126 A C 1.714 179.466 177.584 0.281 0.000 1.278 126 A CA 0.222 52.405 52.037 0.243 0.000 0.903 126 A CB -0.754 18.391 19.000 0.242 0.000 0.997 126 A HN 0.526 nan 8.150 nan 0.000 0.510 127 R N -0.138 120.477 120.500 0.191 0.000 2.154 127 R HA -0.200 4.135 4.340 -0.008 0.000 0.248 127 R C 0.910 177.307 176.300 0.163 0.000 1.155 127 R CA 2.042 58.230 56.100 0.147 0.000 0.979 127 R CB -0.446 29.905 30.300 0.086 0.000 0.869 127 R HN 0.260 nan 8.270 nan 0.000 0.452 128 D N -0.825 119.711 120.400 0.227 0.000 2.349 128 D HA 0.032 4.667 4.640 -0.008 0.000 0.214 128 D C -0.615 175.832 176.300 0.246 0.000 1.063 128 D CA -0.134 54.013 54.000 0.244 0.000 0.847 128 D CB 0.180 41.163 40.800 0.305 0.000 0.933 128 D HN 0.360 nan 8.370 nan 0.000 0.513 129 W N 0.744 122.041 121.300 -0.005 0.000 2.512 129 W HA 0.518 5.173 4.660 -0.009 0.000 0.335 129 W C -0.897 175.472 176.519 -0.250 0.000 1.088 129 W CA -0.587 56.600 57.345 -0.262 0.000 1.236 129 W CB 1.079 30.438 29.460 -0.169 0.000 1.307 129 W HN -0.299 nan 8.180 nan 0.000 0.567 130 D N 3.830 123.460 120.400 -1.284 0.000 2.602 130 D HA 0.363 4.998 4.640 -0.008 0.000 0.236 130 D C -1.938 173.401 176.300 -1.601 0.000 1.209 130 D CA -0.654 52.495 54.000 -1.419 0.000 0.831 130 D CB 2.279 42.668 40.800 -0.685 0.000 1.478 130 D HN 0.380 nan 8.370 nan 0.000 0.438 131 I N 2.199 122.010 120.570 -1.265 0.000 2.466 131 I HA 0.511 4.676 4.170 -0.008 0.000 0.289 131 I C -1.495 174.304 176.117 -0.530 0.000 1.026 131 I CA -0.320 60.444 61.300 -0.893 0.000 1.078 131 I CB 1.088 38.490 38.000 -0.998 0.000 1.249 131 I HN 0.349 nan 8.210 nan 0.000 0.429 132 L N 6.719 127.697 121.223 -0.408 0.000 2.327 132 L HA 0.681 5.016 4.340 -0.008 0.000 0.258 132 L C -1.453 175.314 176.870 -0.172 0.000 1.024 132 L CA -1.068 53.623 54.840 -0.249 0.000 0.825 132 L CB 1.897 43.831 42.059 -0.207 0.000 1.386 132 L HN 0.457 nan 8.230 nan 0.000 0.417 133 L N 1.425 122.612 121.223 -0.060 0.000 2.376 133 L HA 0.879 5.214 4.340 -0.008 0.000 0.275 133 L C -0.669 176.263 176.870 0.103 0.000 0.987 133 L CA -0.117 54.751 54.840 0.047 0.000 0.828 133 L CB 1.535 43.678 42.059 0.141 0.000 1.249 133 L HN 0.747 nan 8.230 nan 0.000 0.409 134 A N 4.586 127.487 122.820 0.135 0.000 2.350 134 A HA 0.854 5.169 4.320 -0.008 0.000 0.324 134 A C -1.357 176.366 177.584 0.232 0.000 1.118 134 A CA -0.571 51.572 52.037 0.177 0.000 0.783 134 A CB 1.680 20.779 19.000 0.165 0.000 1.236 134 A HN 0.450 nan 8.150 nan 0.000 0.457 135 V N 1.613 121.615 119.914 0.147 0.000 2.448 135 V HA 0.671 4.786 4.120 -0.008 0.000 0.295 135 V C 0.717 176.716 176.094 -0.159 0.000 1.025 135 V CA -0.164 62.091 62.300 -0.075 0.000 0.859 135 V CB 1.679 33.358 31.823 -0.239 0.000 0.988 135 V HN 1.158 nan 8.190 nan 0.000 0.431 136 G N 2.770 111.255 108.800 -0.524 0.000 2.379 136 G HA2 0.615 4.570 3.960 -0.008 0.000 0.327 136 G HA3 0.615 4.570 3.960 -0.008 0.000 0.327 136 G C -0.879 173.589 174.900 -0.720 0.000 1.145 136 G CA -0.344 44.055 45.100 -1.168 0.000 0.905 136 G HN 0.675 nan 8.290 nan 0.000 0.466 137 E N 1.432 121.281 120.200 -0.584 0.000 2.151 137 E HA 0.436 4.781 4.350 -0.008 0.000 0.275 137 E C -0.819 175.566 176.600 -0.357 0.000 0.936 137 E CA -0.551 55.624 56.400 -0.375 0.000 0.777 137 E CB 1.743 31.294 29.700 -0.249 0.000 1.108 137 E HN 0.196 nan 8.360 nan 0.000 0.401 138 V N 4.381 124.123 119.914 -0.286 0.000 2.350 138 V HA 0.315 4.430 4.120 -0.008 0.000 0.276 138 V C 0.210 176.198 176.094 -0.178 0.000 1.028 138 V CA -0.483 61.664 62.300 -0.255 0.000 0.860 138 V CB 1.108 32.797 31.823 -0.224 0.000 0.990 138 V HN 0.797 nan 8.190 nan 0.000 0.453 139 T N 2.439 116.894 114.554 -0.165 0.000 2.863 139 T HA 0.638 4.983 4.350 -0.008 0.000 0.285 139 T C -0.727 173.916 174.700 -0.095 0.000 1.009 139 T CA -0.978 61.054 62.100 -0.112 0.000 0.989 139 T CB 2.014 70.825 68.868 -0.094 0.000 1.004 139 T HN 0.486 nan 8.240 nan 0.000 0.455 140 K N 1.530 121.888 120.400 -0.070 0.000 2.156 140 K HA 0.741 5.056 4.320 -0.008 0.000 0.254 140 K C -0.528 176.049 176.600 -0.039 0.000 0.950 140 K CA -0.841 55.414 56.287 -0.053 0.000 0.849 140 K CB 2.058 34.530 32.500 -0.047 0.000 1.100 140 K HN 0.676 nan 8.250 nan 0.000 0.434 141 S N -0.368 115.315 115.700 -0.029 0.000 2.671 141 S HA 0.419 4.884 4.470 -0.008 0.000 0.277 141 S C -0.880 173.710 174.600 -0.017 0.000 1.165 141 S CA -0.491 57.696 58.200 -0.022 0.000 0.822 141 S CB 1.621 64.809 63.200 -0.019 0.000 1.150 141 S HN 0.678 nan 8.310 nan 0.000 0.479 142 T N -0.234 114.311 114.554 -0.015 0.000 3.697 142 T HA 0.582 4.927 4.350 -0.008 0.000 0.260 142 T C -0.107 174.587 174.700 -0.010 0.000 0.998 142 T CA 0.050 62.143 62.100 -0.013 0.000 1.128 142 T CB -0.115 68.744 68.868 -0.014 0.000 1.082 142 T HN 0.850 nan 8.240 nan 0.000 0.541 143 A N 0.508 123.323 122.820 -0.008 0.000 2.475 143 A HA 0.637 4.952 4.320 -0.008 0.000 0.293 143 A C 1.569 179.149 177.584 -0.006 0.000 1.252 143 A CA 0.280 52.313 52.037 -0.006 0.000 0.920 143 A CB -1.185 17.812 19.000 -0.005 0.000 1.125 143 A HN 1.775 nan 8.150 nan 0.000 0.528 144 G N 0.703 109.499 108.800 -0.007 0.000 2.227 144 G HA2 0.270 4.225 3.960 -0.008 0.000 0.168 144 G HA3 0.270 4.225 3.960 -0.008 0.000 0.168 144 G C 1.318 176.214 174.900 -0.008 0.000 1.006 144 G CA 0.730 45.826 45.100 -0.007 0.000 0.684 144 G HN 2.463 nan 8.290 nan 0.000 0.489 145 G N -0.626 108.169 108.800 -0.009 0.000 2.268 145 G HA2 -0.178 3.777 3.960 -0.008 0.000 0.240 145 G HA3 -0.178 3.777 3.960 -0.008 0.000 0.240 145 G C 0.282 175.176 174.900 -0.012 0.000 1.010 145 G CA 1.061 46.155 45.100 -0.010 0.000 0.618 145 G HN 1.313 nan 8.290 nan 0.000 0.516 146 K N 1.420 121.812 120.400 -0.012 0.000 2.164 146 K HA 0.724 5.039 4.320 -0.008 0.000 0.258 146 K C 0.730 177.320 176.600 -0.016 0.000 0.951 146 K CA -1.063 55.215 56.287 -0.015 0.000 0.844 146 K CB 1.870 34.360 32.500 -0.017 0.000 1.099 146 K HN 0.179 nan 8.250 nan 0.000 0.435 147 I N 2.411 122.969 120.570 -0.020 0.000 2.775 147 I HA -0.022 4.143 4.170 -0.008 0.000 0.290 147 I C 0.698 176.805 176.117 -0.016 0.000 1.203 147 I CA 0.421 61.709 61.300 -0.020 0.000 1.433 147 I CB -0.340 37.644 38.000 -0.027 0.000 1.354 147 I HN 0.871 nan 8.210 nan 0.000 0.579 148 T N 1.983 116.531 114.554 -0.010 0.000 2.838 148 T HA 0.903 5.248 4.350 -0.008 0.000 0.292 148 T C -0.712 173.992 174.700 0.007 0.000 1.113 148 T CA -0.786 61.318 62.100 0.006 0.000 1.008 148 T CB 2.420 71.295 68.868 0.012 0.000 1.259 148 T HN 0.974 nan 8.240 nan 0.000 0.520 149 A N 0.631 123.474 122.820 0.039 0.000 2.605 149 A HA 0.853 5.168 4.320 -0.008 0.000 0.294 149 A C -0.452 177.141 177.584 0.015 0.000 1.062 149 A CA -0.400 51.636 52.037 -0.001 0.000 0.682 149 A CB 1.212 20.192 19.000 -0.034 0.000 1.278 149 A HN 1.930 nan 8.150 nan 0.000 0.410 150 S N 0.304 115.944 115.700 -0.100 0.000 2.627 150 S HA 0.896 5.362 4.470 -0.008 0.000 0.283 150 S C -0.958 173.472 174.600 -0.282 0.000 1.127 150 S CA -0.658 57.468 58.200 -0.122 0.000 0.863 150 S CB 1.383 64.567 63.200 -0.027 0.000 1.121 150 S HN 0.892 nan 8.310 nan 0.000 0.479 151 I N 1.138 121.536 120.570 -0.286 0.000 2.534 151 I HA 0.464 4.629 4.170 -0.008 0.000 0.288 151 I C -1.085 174.863 176.117 -0.282 0.000 1.077 151 I CA -0.725 60.348 61.300 -0.379 0.000 1.051 151 I CB 2.313 40.020 38.000 -0.490 0.000 1.234 151 I HN 0.658 nan 8.210 nan 0.000 0.425 152 K N 6.280 126.473 120.400 -0.345 0.000 2.367 152 K HA 0.355 4.670 4.320 -0.008 0.000 0.263 152 K C -1.817 174.602 176.600 -0.302 0.000 1.000 152 K CA -0.215 55.945 56.287 -0.210 0.000 0.891 152 K CB 0.598 33.023 32.500 -0.125 0.000 1.117 152 K HN 0.379 nan 8.250 nan 0.000 0.443 153 W N 3.394 124.682 121.300 -0.021 0.000 2.335 153 W HA 0.430 5.085 4.660 -0.009 0.000 0.306 153 W C 1.040 177.548 176.519 -0.019 0.000 1.216 153 W CA -0.525 56.809 57.345 -0.019 0.000 1.237 153 W CB 1.472 30.932 29.460 0.001 0.000 1.243 153 W HN 0.792 nan 8.180 nan 0.000 0.493 154 G N 1.646 110.562 108.800 0.194 0.000 2.537 154 G HA2 0.390 4.345 3.960 -0.008 0.000 0.273 154 G HA3 0.390 4.345 3.960 -0.008 0.000 0.273 154 G C -0.198 174.778 174.900 0.127 0.000 1.189 154 G CA -0.814 44.355 45.100 0.116 0.000 0.881 154 G HN 0.480 nan 8.290 nan 0.000 0.535 155 S N 0.862 116.607 115.700 0.076 0.000 2.565 155 S HA 0.453 4.918 4.470 -0.008 0.000 0.276 155 S C -2.376 172.254 174.600 0.050 0.000 1.326 155 S CA -0.998 57.234 58.200 0.053 0.000 1.045 155 S CB 1.123 64.341 63.200 0.029 0.000 0.918 155 S HN 0.400 nan 8.310 nan 0.000 0.505 156 P HA 0.404 nan 4.420 nan 0.000 0.272 156 P C -1.131 176.175 177.300 0.010 0.000 1.223 156 P CA -0.574 62.535 63.100 0.016 0.000 0.784 156 P CB 0.490 32.173 31.700 -0.029 0.000 0.923 157 V N 1.221 121.150 119.914 0.024 0.000 2.656 157 V HA 0.346 4.461 4.120 -0.008 0.000 0.307 157 V C 0.197 176.289 176.094 -0.004 0.000 1.051 157 V CA -0.632 61.685 62.300 0.030 0.000 0.893 157 V CB 1.969 33.847 31.823 0.092 0.000 0.999 157 V HN 0.565 nan 8.190 nan 0.000 0.426 158 S N 3.294 118.973 115.700 -0.035 0.000 2.545 158 S HA 0.489 4.954 4.470 -0.008 0.000 0.275 158 S C 0.392 174.987 174.600 -0.008 0.000 1.299 158 S CA -0.430 57.715 58.200 -0.091 0.000 1.048 158 S CB 0.309 63.431 63.200 -0.131 0.000 0.938 158 S HN 0.592 nan 8.310 nan 0.000 0.496 159 L N 5.007 126.231 121.223 0.001 0.000 2.910 159 L HA 0.331 4.666 4.340 -0.008 0.000 0.252 159 L C 1.973 178.975 176.870 0.222 0.000 1.195 159 L CA -0.183 54.792 54.840 0.226 0.000 1.003 159 L CB -0.157 42.086 42.059 0.305 0.000 1.328 159 L HN 0.661 nan 8.230 nan 0.000 0.540 160 K N 1.885 122.305 120.400 0.033 0.000 2.160 160 K HA -0.215 4.100 4.320 -0.008 0.000 0.206 160 K C 1.774 178.481 176.600 0.179 0.000 1.047 160 K CA 1.992 58.344 56.287 0.107 0.000 0.930 160 K CB 0.162 32.644 32.500 -0.031 0.000 0.720 160 K HN 0.579 nan 8.250 nan 0.000 0.450 161 E N -0.688 119.475 120.200 -0.062 0.000 2.401 161 E HA -0.180 4.165 4.350 -0.008 0.000 0.199 161 E C 0.771 177.287 176.600 -0.141 0.000 1.023 161 E CA 0.885 57.169 56.400 -0.195 0.000 0.859 161 E CB -0.241 29.184 29.700 -0.458 0.000 0.780 161 E HN 0.394 nan 8.360 nan 0.000 0.523 162 F N -0.051 120.136 119.950 0.395 0.000 2.641 162 F HA 0.247 4.770 4.527 -0.005 0.000 0.302 162 F C 0.258 176.468 175.800 0.683 0.000 1.098 162 F CA -0.860 57.428 58.000 0.480 0.000 1.318 162 F CB 0.491 39.794 39.000 0.505 0.000 1.035 162 F HN -0.047 nan 8.300 nan 0.000 0.551 163 F N 5.064 125.341 119.950 0.545 0.000 2.361 163 F HA 0.454 4.976 4.527 -0.010 0.000 0.364 163 F C -2.036 173.901 175.800 0.227 0.000 1.120 163 F CA -4.290 53.965 58.000 0.425 0.000 1.102 163 F CB 0.217 39.528 39.000 0.518 0.000 1.183 163 F HN -0.172 nan 8.300 nan 0.000 0.476 164 P HA 0.214 nan 4.420 nan 0.000 0.274 164 P C -0.119 176.971 177.300 -0.350 0.000 1.231 164 P CA -0.213 62.812 63.100 -0.125 0.000 0.790 164 P CB 1.136 32.778 31.700 -0.097 0.000 0.951 165 A N 1.514 124.229 122.820 -0.175 0.000 2.067 165 A HA -0.022 4.293 4.320 -0.008 0.000 0.217 165 A C 0.836 178.333 177.584 -0.144 0.000 1.156 165 A CA 1.080 53.025 52.037 -0.153 0.000 0.683 165 A CB -0.361 18.625 19.000 -0.023 0.000 0.808 165 A HN 0.697 nan 8.150 nan 0.000 0.455 166 E N -1.349 118.756 120.200 -0.158 0.000 2.340 166 E HA 0.652 4.997 4.350 -0.008 0.000 0.273 166 E C -1.308 175.183 176.600 -0.182 0.000 0.891 166 E CA -0.450 55.851 56.400 -0.166 0.000 0.757 166 E CB 1.918 31.534 29.700 -0.140 0.000 1.231 166 E HN 0.323 nan 8.360 nan 0.000 0.439 167 M N 1.611 121.103 119.600 -0.181 0.000 2.644 167 M HA 0.242 4.718 4.480 -0.008 0.000 0.304 167 M C 0.434 176.643 176.300 -0.151 0.000 1.215 167 M CA -0.612 54.598 55.300 -0.150 0.000 0.871 167 M CB 1.816 34.337 32.600 -0.130 0.000 1.740 167 M HN 0.437 nan 8.290 nan 0.000 0.464 168 E N 1.371 121.495 120.200 -0.126 0.000 2.831 168 E HA -0.258 4.087 4.350 -0.008 0.000 0.227 168 E C 1.020 177.544 176.600 -0.128 0.000 0.895 168 E CA 2.691 59.021 56.400 -0.116 0.000 1.313 168 E CB -0.800 28.827 29.700 -0.122 0.000 1.338 168 E HN 0.943 nan 8.360 nan 0.000 0.485 169 G N 0.032 108.753 108.800 -0.132 0.000 4.644 169 G HA2 0.522 4.477 3.960 -0.008 0.000 0.307 169 G HA3 0.522 4.477 3.960 -0.008 0.000 0.307 169 G C -0.193 174.619 174.900 -0.148 0.000 1.331 169 G CA 0.123 45.148 45.100 -0.124 0.000 1.059 169 G HN 0.199 nan 8.290 nan 0.000 0.590 170 M N -1.661 117.806 119.600 -0.223 0.000 2.949 170 M HA 0.524 4.999 4.480 -0.008 0.000 0.270 170 M C -2.068 174.012 176.300 -0.367 0.000 1.221 170 M CA -1.030 54.139 55.300 -0.219 0.000 0.818 170 M CB 1.733 34.272 32.600 -0.102 0.000 1.635 170 M HN -0.073 nan 8.290 nan 0.000 0.492 171 H N 1.274 120.321 119.070 -0.037 0.000 2.489 171 H HA 0.447 4.998 4.556 -0.007 0.000 0.343 171 H C -0.596 174.707 175.328 -0.042 0.000 1.086 171 H CA -0.129 55.889 56.048 -0.050 0.000 1.198 171 H CB 2.054 31.792 29.762 -0.039 0.000 1.490 171 H HN 0.844 nan 8.280 nan 0.000 0.504 172 T N 0.096 114.647 114.554 -0.006 0.000 2.899 172 T HA 0.069 4.414 4.350 -0.008 0.000 0.295 172 T C 0.798 175.508 174.700 0.017 0.000 1.033 172 T CA -0.379 61.682 62.100 -0.065 0.000 1.084 172 T CB 1.689 70.261 68.868 -0.493 0.000 0.979 172 T HN 0.508 nan 8.240 nan 0.000 0.532 173 N N 0.858 119.621 118.700 0.104 0.000 3.251 173 N HA 0.194 4.930 4.740 -0.008 0.000 0.227 173 N C -0.272 175.231 175.510 -0.012 0.000 1.084 173 N CA 0.223 53.314 53.050 0.068 0.000 1.167 173 N CB 0.692 39.201 38.487 0.037 0.000 1.548 173 N HN 0.828 nan 8.380 nan 0.000 0.592 174 Q N -1.019 118.724 119.800 -0.095 0.000 2.501 174 Q HA 0.480 4.815 4.340 -0.008 0.000 0.288 174 Q C -1.541 174.345 176.000 -0.189 0.000 1.051 174 Q CA -0.882 54.515 55.803 -0.675 0.000 0.788 174 Q CB 2.956 31.236 28.738 -0.764 0.000 1.469 174 Q HN 0.315 nan 8.270 nan 0.000 0.416 175 F N -0.984 118.624 119.950 -0.571 0.000 2.645 175 F HA 0.859 5.382 4.527 -0.006 0.000 0.310 175 F C -2.147 173.534 175.800 -0.198 0.000 1.102 175 F CA -0.940 56.896 58.000 -0.273 0.000 0.952 175 F CB 1.357 40.139 39.000 -0.363 0.000 1.326 175 F HN 0.425 nan 8.300 nan 0.000 0.456 176 L N 1.312 122.406 121.223 -0.215 0.000 2.491 176 L HA 0.760 5.096 4.340 -0.008 0.000 0.254 176 L C 0.247 177.025 176.870 -0.153 0.000 1.048 176 L CA -1.182 53.445 54.840 -0.356 0.000 0.855 176 L CB 2.142 43.877 42.059 -0.540 0.000 1.466 176 L HN 1.056 nan 8.230 nan 0.000 0.409 177 G N -0.781 107.908 108.800 -0.185 0.000 2.616 177 G HA2 0.393 4.348 3.960 -0.008 0.000 0.268 177 G HA3 0.393 4.348 3.960 -0.008 0.000 0.268 177 G C 0.734 175.640 174.900 0.011 0.000 1.213 177 G CA 0.172 45.232 45.100 -0.066 0.000 0.926 177 G HN 0.835 nan 8.290 nan 0.000 0.523 178 G N -1.270 107.591 108.800 0.102 0.000 3.088 178 G HA2 0.551 4.506 3.960 -0.008 0.000 0.212 178 G HA3 0.551 4.506 3.960 -0.008 0.000 0.212 178 G C 0.791 175.737 174.900 0.077 0.000 1.173 178 G CA 1.187 46.352 45.100 0.108 0.000 0.779 178 G HN 2.081 nan 8.290 nan 0.000 0.540 179 A N -2.333 120.526 122.820 0.066 0.000 2.477 179 A HA 0.464 4.779 4.320 -0.008 0.000 0.685 179 A C 1.352 178.985 177.584 0.082 0.000 0.171 179 A CA 0.529 52.600 52.037 0.056 0.000 0.050 179 A CB -1.111 17.903 19.000 0.024 0.000 3.966 179 A HN 2.435 nan 8.150 nan 0.000 0.547 180 G N -1.653 107.195 108.800 0.080 0.000 2.552 180 G HA2 0.225 4.180 3.960 -0.008 0.000 0.265 180 G HA3 0.225 4.180 3.960 -0.008 0.000 0.265 180 G C 0.295 175.277 174.900 0.138 0.000 1.234 180 G CA 0.574 45.733 45.100 0.097 0.000 0.944 180 G HN 2.332 nan 8.290 nan 0.000 0.568 181 V N 0.989 120.988 119.914 0.142 0.000 2.483 181 V HA 0.754 4.869 4.120 -0.008 0.000 0.295 181 V C 1.045 177.227 176.094 0.147 0.000 1.035 181 V CA 0.369 62.760 62.300 0.152 0.000 0.896 181 V CB 0.810 32.716 31.823 0.137 0.000 0.986 181 V HN 1.816 nan 8.190 nan 0.000 0.447 182 A N 5.066 127.963 122.820 0.128 0.000 3.444 182 A HA 1.020 5.336 4.320 -0.008 0.000 0.189 182 A C -0.351 177.243 177.584 0.016 0.000 1.542 182 A CA -0.454 51.626 52.037 0.071 0.000 0.867 182 A CB 0.969 19.968 19.000 -0.001 0.000 1.712 182 A HN 1.110 nan 8.150 nan 0.000 0.556 183 I N -3.894 116.649 120.570 -0.044 0.000 3.102 183 I HA 0.685 4.850 4.170 -0.008 0.000 0.310 183 I C -1.411 174.662 176.117 -0.074 0.000 1.246 183 I CA -1.073 60.207 61.300 -0.034 0.000 0.979 183 I CB 2.072 40.069 38.000 -0.005 0.000 1.267 183 I HN 0.239 nan 8.210 nan 0.000 0.451 184 V N 3.451 123.333 119.914 -0.053 0.000 2.350 184 V HA 0.683 4.798 4.120 -0.008 0.000 0.276 184 V C 0.893 176.954 176.094 -0.056 0.000 1.028 184 V CA -0.240 62.017 62.300 -0.071 0.000 0.860 184 V CB 0.816 32.602 31.823 -0.062 0.000 0.990 184 V HN 0.947 nan 8.190 nan 0.000 0.453 185 A N 3.944 126.723 122.820 -0.068 0.000 2.386 185 A HA 0.337 4.652 4.320 -0.008 0.000 0.246 185 A C 1.626 179.175 177.584 -0.058 0.000 1.089 185 A CA 0.464 52.464 52.037 -0.062 0.000 0.790 185 A CB 0.268 19.220 19.000 -0.081 0.000 1.042 185 A HN 1.215 nan 8.150 nan 0.000 0.497 186 S N 0.256 115.925 115.700 -0.053 0.000 2.547 186 S HA -0.141 4.324 4.470 -0.008 0.000 0.235 186 S C 0.920 175.488 174.600 -0.053 0.000 0.980 186 S CA 1.200 59.371 58.200 -0.049 0.000 0.941 186 S CB -0.595 62.577 63.200 -0.046 0.000 0.763 186 S HN 0.895 nan 8.310 nan 0.000 0.532 187 N N 0.493 119.155 118.700 -0.063 0.000 2.270 187 N HA 0.280 5.016 4.740 -0.008 0.000 0.198 187 N C 1.239 176.709 175.510 -0.068 0.000 1.117 187 N CA 0.567 53.579 53.050 -0.063 0.000 0.845 187 N CB -0.214 38.232 38.487 -0.069 0.000 0.980 187 N HN 0.536 nan 8.380 nan 0.000 0.486 188 G N -0.187 108.570 108.800 -0.072 0.000 2.258 188 G HA2 -0.297 3.658 3.960 -0.008 0.000 0.233 188 G HA3 -0.297 3.658 3.960 -0.008 0.000 0.233 188 G C -0.190 174.643 174.900 -0.113 0.000 1.006 188 G CA -0.115 44.935 45.100 -0.083 0.000 0.620 188 G HN 0.481 nan 8.290 nan 0.000 0.511 189 N N 0.891 119.522 118.700 -0.114 0.000 2.454 189 N HA 0.388 5.123 4.740 -0.008 0.000 0.254 189 N C 0.598 176.012 175.510 -0.160 0.000 1.228 189 N CA 0.172 53.141 53.050 -0.135 0.000 0.900 189 N CB 0.435 38.864 38.487 -0.097 0.000 1.089 189 N HN 0.423 nan 8.380 nan 0.000 0.449 190 L N 1.541 122.623 121.223 -0.235 0.000 2.319 190 L HA 0.299 4.634 4.340 -0.008 0.000 0.280 190 L C -0.330 176.488 176.870 -0.087 0.000 1.099 190 L CA -0.529 54.167 54.840 -0.240 0.000 0.828 190 L CB 0.572 42.409 42.059 -0.371 0.000 1.150 190 L HN 0.110 nan 8.230 nan 0.000 0.442 191 V N 4.282 124.146 119.914 -0.083 0.000 2.483 191 V HA 0.343 4.459 4.120 -0.008 0.000 0.297 191 V C -0.951 175.166 176.094 0.038 0.000 1.027 191 V CA -0.584 61.748 62.300 0.052 0.000 0.855 191 V CB 1.550 33.389 31.823 0.026 0.000 0.995 191 V HN 0.427 nan 8.190 nan 0.000 0.424 192 Y N 5.697 126.178 120.300 0.302 0.000 2.328 192 Y HA 0.469 5.014 4.550 -0.008 0.000 0.333 192 Y C -2.261 173.818 175.900 0.299 0.000 0.958 192 Y CA -2.562 55.713 58.100 0.292 0.000 1.167 192 Y CB 2.495 41.161 38.460 0.345 0.000 1.151 192 Y HN 0.475 nan 8.280 nan 0.000 0.470 193 P HA 0.097 nan 4.420 nan 0.000 0.271 193 P C -0.967 176.537 177.300 0.340 0.000 1.220 193 P CA -0.030 63.281 63.100 0.352 0.000 0.768 193 P CB 0.833 32.707 31.700 0.290 0.000 0.848 194 V N 1.052 121.162 119.914 0.328 0.000 3.001 194 V HA 0.651 4.766 4.120 -0.008 0.000 0.314 194 V C -0.615 175.604 176.094 0.209 0.000 1.099 194 V CA -1.165 61.284 62.300 0.249 0.000 0.989 194 V CB 1.909 33.874 31.823 0.236 0.000 1.040 194 V HN 0.538 nan 8.190 nan 0.000 0.434 195 Q N 1.353 121.255 119.800 0.170 0.000 2.293 195 Q HA 0.856 5.192 4.340 -0.008 0.000 0.261 195 Q C -1.422 174.655 176.000 0.128 0.000 0.960 195 Q CA -0.785 55.104 55.803 0.143 0.000 0.882 195 Q CB 2.216 31.091 28.738 0.229 0.000 1.275 195 Q HN 0.603 nan 8.270 nan 0.000 0.445 196 V N 1.813 121.617 119.914 -0.184 0.000 2.789 196 V HA 0.532 4.647 4.120 -0.008 0.000 0.311 196 V C -0.057 175.749 176.094 -0.479 0.000 1.073 196 V CA -0.677 61.452 62.300 -0.286 0.000 0.921 196 V CB 2.144 33.625 31.823 -0.570 0.000 1.009 196 V HN 1.028 nan 8.190 nan 0.000 0.426 197 T N 0.775 115.258 114.554 -0.119 0.000 2.945 197 T HA 0.693 5.038 4.350 -0.008 0.000 0.286 197 T C -0.417 174.357 174.700 0.124 0.000 1.025 197 T CA -0.795 61.266 62.100 -0.066 0.000 1.039 197 T CB 1.870 70.636 68.868 -0.171 0.000 1.068 197 T HN 0.795 nan 8.240 nan 0.000 0.497 198 N N -0.058 118.762 118.700 0.199 0.000 2.653 198 N HA 0.387 5.123 4.740 -0.008 0.000 0.294 198 N C 0.406 175.964 175.510 0.080 0.000 1.305 198 N CA -1.226 51.934 53.050 0.183 0.000 0.827 198 N CB 0.701 39.327 38.487 0.233 0.000 1.415 198 N HN 0.323 nan 8.380 nan 0.000 0.546 199 K N -0.043 120.402 120.400 0.075 0.000 2.515 199 K HA 0.027 4.342 4.320 -0.008 0.000 0.196 199 K C 0.376 176.982 176.600 0.009 0.000 1.038 199 K CA 0.712 57.026 56.287 0.045 0.000 0.967 199 K CB -0.187 32.346 32.500 0.056 0.000 0.780 199 K HN 0.579 nan 8.250 nan 0.000 0.483 200 K N 0.390 120.780 120.400 -0.016 0.000 2.374 200 K HA 0.078 4.394 4.320 -0.008 0.000 0.196 200 K C -0.168 176.391 176.600 -0.067 0.000 1.023 200 K CA 0.034 56.288 56.287 -0.055 0.000 1.103 200 K CB 0.314 32.753 32.500 -0.102 0.000 0.848 200 K HN 0.002 nan 8.250 nan 0.000 0.528 201 K N 0.500 120.869 120.400 -0.051 0.000 3.291 201 K HA -0.208 4.107 4.320 -0.008 0.000 0.290 201 K C -0.885 175.663 176.600 -0.086 0.000 1.235 201 K CA 0.531 56.774 56.287 -0.074 0.000 0.848 201 K CB -1.710 30.747 32.500 -0.073 0.000 1.295 201 K HN 0.305 nan 8.250 nan 0.000 0.497 202 Q N 0.577 120.336 119.800 -0.068 0.000 2.230 202 Q HA 0.543 4.878 4.340 -0.008 0.000 0.248 202 Q C -0.217 175.876 176.000 0.155 0.000 0.915 202 Q CA -0.615 55.163 55.803 -0.042 0.000 0.900 202 Q CB 2.485 31.045 28.738 -0.295 0.000 1.229 202 Q HN 0.127 nan 8.270 nan 0.000 0.439 203 V N 3.476 123.503 119.914 0.187 0.000 2.732 203 V HA 0.812 4.927 4.120 -0.008 0.000 0.310 203 V C -1.327 175.026 176.094 0.431 0.000 1.053 203 V CA -0.359 62.038 62.300 0.161 0.000 0.957 203 V CB 0.945 32.775 31.823 0.012 0.000 1.018 203 V HN 0.735 nan 8.190 nan 0.000 0.452 204 F N 1.861 121.900 119.950 0.148 0.000 2.770 204 F HA 0.767 5.289 4.527 -0.010 0.000 0.313 204 F C -0.810 175.035 175.800 0.075 0.000 1.154 204 F CA -0.870 57.183 58.000 0.089 0.000 0.923 204 F CB 1.058 40.077 39.000 0.033 0.000 1.301 204 F HN 0.315 nan 8.300 nan 0.000 0.449 205 S N 1.517 117.307 115.700 0.151 0.000 2.501 205 S HA 0.752 5.217 4.470 -0.008 0.000 0.301 205 S C -0.956 173.734 174.600 0.150 0.000 1.096 205 S CA -1.024 57.267 58.200 0.153 0.000 1.063 205 S CB 1.804 65.168 63.200 0.273 0.000 1.042 205 S HN 0.516 nan 8.310 nan 0.000 0.494 206 K N 0.989 121.592 120.400 0.339 0.000 2.409 206 K HA 0.560 4.876 4.320 -0.008 0.000 0.252 206 K C -1.143 175.829 176.600 0.620 0.000 1.036 206 K CA -0.841 55.743 56.287 0.495 0.000 0.871 206 K CB 1.232 34.018 32.500 0.477 0.000 1.374 206 K HN 0.383 nan 8.250 nan 0.000 0.459 207 I N 1.540 122.499 120.570 0.648 0.000 2.354 207 I HA 0.361 4.527 4.170 -0.008 0.000 0.292 207 I C -0.680 175.763 176.117 0.543 0.000 0.989 207 I CA -0.575 61.036 61.300 0.517 0.000 1.188 207 I CB 0.649 38.881 38.000 0.387 0.000 1.342 207 I HN 0.487 nan 8.210 nan 0.000 0.457 208 F N 9.183 129.291 119.950 0.264 0.000 2.445 208 F HA 0.511 5.033 4.527 -0.007 0.000 0.348 208 F C -0.983 175.038 175.800 0.368 0.000 1.125 208 F CA -0.662 57.365 58.000 0.045 0.000 0.983 208 F CB 0.904 39.841 39.000 -0.104 0.000 1.198 208 F HN 0.445 nan 8.300 nan 0.000 0.436 209 Y N 2.326 122.561 120.300 -0.110 0.000 2.605 209 Y HA 0.779 5.328 4.550 -0.001 0.000 0.343 209 Y C -1.300 174.325 175.900 -0.459 0.000 1.036 209 Y CA -1.639 56.389 58.100 -0.120 0.000 1.065 209 Y CB 1.504 39.909 38.460 -0.091 0.000 1.288 209 Y HN 0.327 nan 8.280 nan 0.000 0.481 210 S N 0.106 115.442 115.700 -0.606 0.000 2.538 210 S HA 0.421 4.886 4.470 -0.008 0.000 0.288 210 S C -0.524 173.783 174.600 -0.489 0.000 1.108 210 S CA -0.612 57.011 58.200 -0.961 0.000 0.971 210 S CB 1.451 63.586 63.200 -1.776 0.000 1.041 210 S HN 0.861 nan 8.310 nan 0.000 0.483 211 E N 1.251 121.210 120.200 -0.401 0.000 2.511 211 E HA 0.097 4.442 4.350 -0.008 0.000 0.209 211 E C -0.753 175.711 176.600 -0.228 0.000 0.986 211 E CA 0.101 56.365 56.400 -0.226 0.000 0.974 211 E CB 0.394 30.018 29.700 -0.126 0.000 1.030 211 E HN 0.698 nan 8.360 nan 0.000 0.490 212 D N 0.476 120.695 120.400 -0.302 0.000 2.943 212 D HA 0.050 4.685 4.640 -0.008 0.000 0.347 212 D C -0.411 175.769 176.300 -0.202 0.000 1.305 212 D CA -0.435 53.439 54.000 -0.210 0.000 0.870 212 D CB 0.143 40.842 40.800 -0.169 0.000 1.081 212 D HN -0.214 nan 8.370 nan 0.000 0.492 213 E N 0.228 120.300 120.200 -0.213 0.000 2.604 213 E HA -0.220 4.125 4.350 -0.008 0.000 0.255 213 E C 1.173 177.700 176.600 -0.121 0.000 1.164 213 E CA 1.254 57.563 56.400 -0.152 0.000 0.737 213 E CB -2.036 27.659 29.700 -0.009 0.000 1.317 213 E HN 0.970 nan 8.360 nan 0.000 0.417 214 G N -0.773 107.822 108.800 -0.341 0.000 2.134 214 G HA2 -0.325 3.630 3.960 -0.008 0.000 0.209 214 G HA3 -0.325 3.630 3.960 -0.008 0.000 0.209 214 G C 0.868 175.757 174.900 -0.019 0.000 0.993 214 G CA 0.442 45.407 45.100 -0.225 0.000 0.669 214 G HN 0.185 nan 8.290 nan 0.000 0.519 215 K N 0.288 120.598 120.400 -0.149 0.000 2.137 215 K HA 0.144 4.459 4.320 -0.008 0.000 0.202 215 K C 1.517 178.091 176.600 -0.043 0.000 1.052 215 K CA 1.749 58.033 56.287 -0.005 0.000 0.961 215 K CB -0.282 32.217 32.500 -0.002 0.000 0.741 215 K HN 0.870 nan 8.250 nan 0.000 0.452 216 T N -2.492 111.827 114.554 -0.392 0.000 2.906 216 T HA 0.627 4.972 4.350 -0.008 0.000 0.295 216 T C -1.108 172.938 174.700 -1.090 0.000 1.075 216 T CA -0.933 60.770 62.100 -0.662 0.000 1.005 216 T CB 1.607 70.240 68.868 -0.391 0.000 1.136 216 T HN 0.094 nan 8.240 nan 0.000 0.498 217 W N 0.185 120.705 121.300 -1.299 0.000 3.033 217 W HA 0.710 5.366 4.660 -0.007 0.000 0.336 217 W C -0.360 175.674 176.519 -0.809 0.000 1.173 217 W CA -0.803 55.910 57.345 -1.053 0.000 1.185 217 W CB 2.223 31.010 29.460 -1.121 0.000 1.425 217 W HN 0.662 nan 8.180 nan 0.000 0.536 218 K N 1.235 121.228 120.400 -0.679 0.000 2.482 218 K HA 0.670 4.986 4.320 -0.008 0.000 0.257 218 K C -1.632 174.753 176.600 -0.359 0.000 0.969 218 K CA -1.098 54.906 56.287 -0.471 0.000 0.842 218 K CB 2.381 34.448 32.500 -0.723 0.000 1.359 218 K HN 0.215 nan 8.250 nan 0.000 0.441 219 F N 0.231 120.246 119.950 0.109 0.000 2.469 219 F HA 0.380 4.901 4.527 -0.010 0.000 0.332 219 F C 0.976 176.964 175.800 0.313 0.000 1.103 219 F CA -0.465 57.705 58.000 0.283 0.000 0.979 219 F CB 1.889 41.049 39.000 0.267 0.000 1.137 219 F HN 0.589 nan 8.300 nan 0.000 0.463 220 G N 2.189 111.352 108.800 0.606 0.000 2.503 220 G HA2 0.209 4.164 3.960 -0.008 0.000 0.257 220 G HA3 0.209 4.164 3.960 -0.008 0.000 0.257 220 G C 0.453 175.582 174.900 0.382 0.000 1.214 220 G CA -0.487 44.903 45.100 0.482 0.000 0.839 220 G HN 0.738 nan 8.290 nan 0.000 0.559 221 K N 0.865 121.429 120.400 0.274 0.000 2.148 221 K HA 0.034 4.349 4.320 -0.008 0.000 0.204 221 K C 1.795 178.455 176.600 0.100 0.000 1.050 221 K CA 0.958 57.346 56.287 0.168 0.000 0.942 221 K CB -0.050 32.525 32.500 0.125 0.000 0.724 221 K HN 0.522 nan 8.250 nan 0.000 0.446 222 G N 0.842 109.733 108.800 0.152 0.000 2.588 222 G HA2 0.413 4.368 3.960 -0.008 0.000 0.281 222 G HA3 0.413 4.368 3.960 -0.008 0.000 0.281 222 G C -0.657 173.934 174.900 -0.514 0.000 1.236 222 G CA -0.568 44.485 45.100 -0.079 0.000 0.969 222 G HN 0.306 nan 8.290 nan 0.000 0.504 223 R N -1.906 117.955 120.500 -1.065 0.000 2.716 223 R HA 0.597 4.932 4.340 -0.008 0.000 0.271 223 R C -0.059 175.317 176.300 -1.539 0.000 1.028 223 R CA -0.416 54.888 56.100 -1.327 0.000 0.883 223 R CB 0.801 30.733 30.300 -0.614 0.000 1.250 223 R HN 0.756 nan 8.270 nan 0.000 0.465 224 S N 1.065 115.899 115.700 -1.444 0.000 2.633 224 S HA 0.560 5.025 4.470 -0.008 0.000 0.257 224 S C 0.541 174.837 174.600 -0.506 0.000 1.265 224 S CA -0.276 57.341 58.200 -0.972 0.000 0.980 224 S CB 0.600 63.487 63.200 -0.520 0.000 1.017 224 S HN 0.870 nan 8.310 nan 0.000 0.577 225 A N 0.039 122.748 122.820 -0.185 0.000 2.351 225 A HA 0.537 4.852 4.320 -0.008 0.000 0.257 225 A C -0.015 177.530 177.584 -0.064 0.000 1.087 225 A CA -0.752 51.200 52.037 -0.142 0.000 0.798 225 A CB -0.587 18.457 19.000 0.073 0.000 1.033 225 A HN 0.696 nan 8.150 nan 0.000 0.488 226 F N 0.667 120.629 119.950 0.020 0.000 2.629 226 F HA 0.310 4.834 4.527 -0.005 0.000 0.377 226 F C 1.737 177.595 175.800 0.097 0.000 1.101 226 F CA 1.691 59.730 58.000 0.065 0.000 1.301 226 F CB 0.459 39.468 39.000 0.015 0.000 1.062 226 F HN 0.937 nan 8.300 nan 0.000 0.583 227 G N 0.965 109.958 108.800 0.321 0.000 2.194 227 G HA2 -0.264 3.691 3.960 -0.008 0.000 0.236 227 G HA3 -0.264 3.691 3.960 -0.008 0.000 0.236 227 G C -0.366 174.650 174.900 0.193 0.000 0.987 227 G CA -0.336 44.893 45.100 0.215 0.000 0.635 227 G HN 0.739 nan 8.290 nan 0.000 0.520 228 C N 2.745 122.172 119.300 0.211 0.000 2.325 228 C HA 0.788 5.243 4.460 -0.008 0.000 0.347 228 C C 1.046 176.151 174.990 0.193 0.000 1.263 228 C CA 0.133 59.275 59.018 0.206 0.000 1.806 228 C CB 0.085 27.970 27.740 0.242 0.000 2.405 228 C HN 0.917 nan 8.230 nan 0.000 0.537 229 S N 1.048 116.855 115.700 0.179 0.000 2.810 229 S HA 0.586 5.051 4.470 -0.008 0.000 0.315 229 S C -0.508 174.196 174.600 0.173 0.000 1.138 229 S CA -0.702 57.606 58.200 0.179 0.000 0.889 229 S CB 0.374 63.680 63.200 0.176 0.000 1.236 229 S HN 0.745 nan 8.310 nan 0.000 0.548 230 E N 1.448 121.750 120.200 0.170 0.000 2.024 230 E HA -0.138 4.207 4.350 -0.008 0.000 0.171 230 E C -2.178 174.506 176.600 0.139 0.000 1.417 230 E CA 0.348 56.827 56.400 0.130 0.000 0.650 230 E CB -1.414 28.332 29.700 0.076 0.000 1.044 230 E HN 0.485 nan 8.360 nan 0.000 0.308 231 P HA 0.164 nan 4.420 nan 0.000 0.274 231 P C -0.484 176.937 177.300 0.202 0.000 1.231 231 P CA -0.186 63.041 63.100 0.212 0.000 0.790 231 P CB 1.549 33.411 31.700 0.271 0.000 0.951 232 V N 1.038 121.082 119.914 0.217 0.000 2.686 232 V HA 0.722 4.837 4.120 -0.008 0.000 0.306 232 V C -1.035 175.260 176.094 0.335 0.000 1.065 232 V CA -0.640 61.808 62.300 0.248 0.000 0.894 232 V CB 1.666 33.625 31.823 0.228 0.000 1.004 232 V HN 0.884 nan 8.190 nan 0.000 0.424 233 A N 5.990 128.987 122.820 0.296 0.000 2.469 233 A HA 1.038 5.354 4.320 -0.008 0.000 0.299 233 A C -1.365 176.311 177.584 0.155 0.000 1.098 233 A CA -0.568 51.625 52.037 0.261 0.000 0.737 233 A CB 1.896 20.999 19.000 0.172 0.000 1.312 233 A HN 1.730 nan 8.150 nan 0.000 0.414 234 L N -1.860 119.408 121.223 0.075 0.000 2.502 234 L HA 0.895 5.230 4.340 -0.008 0.000 0.253 234 L C -0.605 176.279 176.870 0.023 0.000 1.070 234 L CA -0.666 54.159 54.840 -0.026 0.000 0.871 234 L CB 1.554 43.475 42.059 -0.230 0.000 1.487 234 L HN 0.774 nan 8.230 nan 0.000 0.408 235 E N 0.547 120.773 120.200 0.043 0.000 2.187 235 E HA 0.455 4.800 4.350 -0.008 0.000 0.268 235 E C -2.079 174.629 176.600 0.180 0.000 0.896 235 E CA -0.679 55.768 56.400 0.078 0.000 0.766 235 E CB 1.632 31.348 29.700 0.026 0.000 1.142 235 E HN 0.707 nan 8.360 nan 0.000 0.408 236 W N 5.639 126.915 121.300 -0.041 0.000 3.036 236 W HA 0.211 4.865 4.660 -0.010 0.000 0.337 236 W C -0.997 175.509 176.519 -0.022 0.000 1.055 236 W CA -0.513 56.815 57.345 -0.028 0.000 1.248 236 W CB 1.024 30.472 29.460 -0.020 0.000 1.335 236 W HN 0.862 nan 8.180 nan 0.000 0.446 237 E N 3.364 123.407 120.200 -0.261 0.000 2.328 237 E HA -0.236 4.109 4.350 -0.008 0.000 0.233 237 E C 1.086 177.651 176.600 -0.059 0.000 1.219 237 E CA 1.306 57.580 56.400 -0.211 0.000 0.717 237 E CB -1.220 28.326 29.700 -0.255 0.000 1.210 237 E HN 1.008 nan 8.360 nan 0.000 0.381 238 G N -0.358 108.418 108.800 -0.040 0.000 2.176 238 G HA2 -0.354 3.601 3.960 -0.008 0.000 0.253 238 G HA3 -0.354 3.601 3.960 -0.008 0.000 0.253 238 G C 0.128 175.027 174.900 -0.002 0.000 0.979 238 G CA 0.810 45.896 45.100 -0.024 0.000 0.641 238 G HN 0.310 nan 8.290 nan 0.000 0.530 239 K N -0.193 120.231 120.400 0.040 0.000 2.208 239 K HA 0.791 5.106 4.320 -0.008 0.000 0.247 239 K C 0.120 176.739 176.600 0.032 0.000 0.953 239 K CA -0.952 55.352 56.287 0.029 0.000 0.837 239 K CB 1.969 34.499 32.500 0.050 0.000 1.131 239 K HN 0.105 nan 8.250 nan 0.000 0.431 240 L N 2.677 123.887 121.223 -0.022 0.000 2.326 240 L HA 0.383 4.718 4.340 -0.008 0.000 0.278 240 L C -0.305 176.559 176.870 -0.010 0.000 1.092 240 L CA -0.445 54.380 54.840 -0.025 0.000 0.810 240 L CB 0.451 42.456 42.059 -0.089 0.000 1.153 240 L HN 0.421 nan 8.230 nan 0.000 0.439 241 I N 4.849 125.452 120.570 0.055 0.000 2.354 241 I HA 0.344 4.509 4.170 -0.008 0.000 0.286 241 I C -0.489 175.743 176.117 0.192 0.000 1.007 241 I CA -0.405 60.964 61.300 0.115 0.000 1.167 241 I CB 1.650 39.749 38.000 0.165 0.000 1.320 241 I HN 0.448 nan 8.210 nan 0.000 0.458 242 I N 6.338 126.988 120.570 0.135 0.000 2.339 242 I HA 0.284 4.450 4.170 -0.008 0.000 0.290 242 I C 0.055 176.306 176.117 0.224 0.000 0.994 242 I CA -0.301 61.104 61.300 0.174 0.000 1.191 242 I CB 1.148 39.163 38.000 0.025 0.000 1.343 242 I HN 0.457 nan 8.210 nan 0.000 0.458 243 N N 5.178 123.988 118.700 0.182 0.000 2.476 243 N HA 0.339 5.075 4.740 -0.008 0.000 0.257 243 N C -0.704 174.870 175.510 0.107 0.000 0.970 243 N CA -0.266 52.796 53.050 0.020 0.000 0.938 243 N CB 1.343 39.602 38.487 -0.381 0.000 1.144 243 N HN 0.730 nan 8.380 nan 0.000 0.500 244 T N 0.265 114.907 114.554 0.147 0.000 2.950 244 T HA 0.505 4.850 4.350 -0.008 0.000 0.288 244 T C 0.118 174.904 174.700 0.143 0.000 1.035 244 T CA -0.928 61.282 62.100 0.182 0.000 1.028 244 T CB 1.761 70.791 68.868 0.269 0.000 1.109 244 T HN 0.474 nan 8.240 nan 0.000 0.514 245 R N 1.104 121.692 120.500 0.147 0.000 2.312 245 R HA 0.623 4.958 4.340 -0.008 0.000 0.311 245 R C -1.617 174.758 176.300 0.124 0.000 1.004 245 R CA -0.638 55.542 56.100 0.132 0.000 0.902 245 R CB 0.795 31.166 30.300 0.119 0.000 1.073 245 R HN 0.571 nan 8.270 nan 0.000 0.457 246 V N 4.597 124.570 119.914 0.098 0.000 2.462 246 V HA 0.141 4.256 4.120 -0.008 0.000 0.288 246 V C -0.832 175.294 176.094 0.054 0.000 1.020 246 V CA -1.073 61.283 62.300 0.094 0.000 0.857 246 V CB 1.530 33.409 31.823 0.095 0.000 1.013 246 V HN 0.838 nan 8.190 nan 0.000 0.431 247 D N 3.568 123.991 120.400 0.039 0.000 2.488 247 D HA 0.135 4.770 4.640 -0.008 0.000 0.238 247 D C 0.522 176.832 176.300 0.017 0.000 1.138 247 D CA 0.822 54.762 54.000 -0.100 0.000 0.873 247 D CB 0.206 40.952 40.800 -0.090 0.000 1.183 247 D HN 0.667 nan 8.370 nan 0.000 0.458 248 Y N -0.531 119.757 120.300 -0.020 0.000 4.409 248 Y HA -0.329 4.216 4.550 -0.008 0.000 0.228 248 Y C 0.699 176.594 175.900 -0.008 0.000 1.108 248 Y CA 0.686 58.771 58.100 -0.024 0.000 1.955 248 Y CB -1.118 37.325 38.460 -0.028 0.000 1.615 248 Y HN 0.295 nan 8.280 nan 0.000 0.665 249 R N -0.520 120.026 120.500 0.077 0.000 2.734 249 R HA 0.512 4.847 4.340 -0.008 0.000 0.271 249 R C -0.219 176.085 176.300 0.007 0.000 1.021 249 R CA -1.254 54.876 56.100 0.050 0.000 0.893 249 R CB 1.120 31.457 30.300 0.063 0.000 1.244 249 R HN 0.131 nan 8.270 nan 0.000 0.464 250 R N 1.239 121.726 120.500 -0.022 0.000 2.694 250 R HA 0.209 4.544 4.340 -0.008 0.000 0.268 250 R C 0.246 176.511 176.300 -0.058 0.000 1.061 250 R CA -0.204 55.857 56.100 -0.065 0.000 1.133 250 R CB 0.495 30.722 30.300 -0.122 0.000 1.020 250 R HN 0.222 nan 8.270 nan 0.000 0.475 251 R N 1.812 122.273 120.500 -0.066 0.000 2.491 251 R HA 0.138 4.473 4.340 -0.008 0.000 0.283 251 R C -0.223 176.034 176.300 -0.073 0.000 1.072 251 R CA -0.073 56.007 56.100 -0.033 0.000 1.048 251 R CB 0.412 30.707 30.300 -0.008 0.000 0.983 251 R HN 0.335 nan 8.270 nan 0.000 0.450 252 L N 3.327 124.531 121.223 -0.031 0.000 2.307 252 L HA 0.466 4.802 4.340 -0.008 0.000 0.282 252 L C -0.458 176.350 176.870 -0.103 0.000 1.051 252 L CA -0.856 53.917 54.840 -0.111 0.000 0.804 252 L CB 1.631 43.653 42.059 -0.062 0.000 1.197 252 L HN 0.286 nan 8.230 nan 0.000 0.431 253 V N 2.631 122.397 119.914 -0.246 0.000 2.735 253 V HA 0.501 4.616 4.120 -0.008 0.000 0.310 253 V C -1.012 174.935 176.094 -0.243 0.000 1.061 253 V CA -0.738 61.484 62.300 -0.130 0.000 0.913 253 V CB 1.881 33.639 31.823 -0.108 0.000 1.005 253 V HN 0.443 nan 8.190 nan 0.000 0.428 254 Y N 1.194 121.535 120.300 0.068 0.000 2.570 254 Y HA 0.659 5.203 4.550 -0.010 0.000 0.345 254 Y C 0.127 176.009 175.900 -0.030 0.000 1.014 254 Y CA -0.850 57.291 58.100 0.068 0.000 1.063 254 Y CB 2.122 40.711 38.460 0.215 0.000 1.272 254 Y HN 0.571 nan 8.280 nan 0.000 0.477 255 E N 0.375 120.650 120.200 0.124 0.000 2.256 255 E HA 0.661 5.006 4.350 -0.008 0.000 0.267 255 E C -1.421 175.138 176.600 -0.069 0.000 0.892 255 E CA -0.866 55.540 56.400 0.010 0.000 0.775 255 E CB 2.252 31.969 29.700 0.028 0.000 1.207 255 E HN 0.377 nan 8.360 nan 0.000 0.420 256 S N 0.617 116.237 115.700 -0.134 0.000 2.603 256 S HA 0.239 4.704 4.470 -0.008 0.000 0.274 256 S C -0.476 174.064 174.600 -0.099 0.000 1.168 256 S CA -0.541 57.559 58.200 -0.167 0.000 0.963 256 S CB 1.355 64.314 63.200 -0.403 0.000 1.078 256 S HN 0.356 nan 8.310 nan 0.000 0.477 257 S N 2.323 117.991 115.700 -0.053 0.000 2.556 257 S HA 0.130 4.595 4.470 -0.008 0.000 0.216 257 S C -0.248 174.322 174.600 -0.050 0.000 0.970 257 S CA 0.041 58.217 58.200 -0.039 0.000 0.912 257 S CB -0.080 63.111 63.200 -0.015 0.000 0.790 257 S HN 0.846 nan 8.310 nan 0.000 0.504 258 D N 0.043 120.409 120.400 -0.057 0.000 2.861 258 D HA 0.288 4.923 4.640 -0.008 0.000 0.357 258 D C 0.304 176.546 176.300 -0.097 0.000 1.250 258 D CA -0.520 53.444 54.000 -0.060 0.000 0.802 258 D CB -0.106 40.686 40.800 -0.014 0.000 1.141 258 D HN -0.204 nan 8.370 nan 0.000 0.489 259 M N 0.979 120.476 119.600 -0.172 0.000 2.503 259 M HA -0.163 4.312 4.480 -0.008 0.000 0.199 259 M C 1.169 177.400 176.300 -0.115 0.000 0.466 259 M CA 1.162 56.288 55.300 -0.290 0.000 0.510 259 M CB -1.941 30.291 32.600 -0.613 0.000 1.858 259 M HN 1.010 nan 8.290 nan 0.000 0.799 260 G N -0.794 107.982 108.800 -0.040 0.000 2.141 260 G HA2 -0.319 3.636 3.960 -0.008 0.000 0.242 260 G HA3 -0.319 3.636 3.960 -0.008 0.000 0.242 260 G C 0.668 175.763 174.900 0.324 0.000 0.982 260 G CA 0.516 45.697 45.100 0.135 0.000 0.662 260 G HN 0.512 nan 8.290 nan 0.000 0.527 261 N N 0.308 119.125 118.700 0.195 0.000 2.331 261 N HA 0.068 4.804 4.740 -0.008 0.000 0.180 261 N C 1.025 176.680 175.510 0.242 0.000 1.019 261 N CA 1.722 54.897 53.050 0.209 0.000 0.881 261 N CB 0.108 38.673 38.487 0.131 0.000 0.972 261 N HN 0.802 nan 8.380 nan 0.000 0.435 262 T N -2.159 112.545 114.554 0.249 0.000 2.916 262 T HA 0.487 4.832 4.350 -0.008 0.000 0.298 262 T C -1.242 173.662 174.700 0.340 0.000 1.031 262 T CA -0.784 61.481 62.100 0.275 0.000 0.993 262 T CB 1.256 70.210 68.868 0.143 0.000 1.045 262 T HN -0.028 nan 8.240 nan 0.000 0.454 263 W N 1.972 123.287 121.300 0.026 0.000 2.632 263 W HA 0.778 5.434 4.660 -0.007 0.000 0.328 263 W C -0.998 175.585 176.519 0.107 0.000 1.044 263 W CA -1.233 56.142 57.345 0.049 0.000 1.225 263 W CB 1.644 31.070 29.460 -0.056 0.000 1.396 263 W HN 0.594 nan 8.180 nan 0.000 0.499 264 L N 2.466 123.898 121.223 0.348 0.000 2.409 264 L HA 0.380 4.715 4.340 -0.008 0.000 0.272 264 L C 0.083 177.108 176.870 0.259 0.000 0.980 264 L CA -0.912 54.082 54.840 0.258 0.000 0.826 264 L CB 1.639 43.776 42.059 0.131 0.000 1.268 264 L HN 0.437 nan 8.230 nan 0.000 0.407 265 E N 2.930 123.232 120.200 0.170 0.000 2.384 265 E HA 0.263 4.608 4.350 -0.008 0.000 0.266 265 E C -0.273 176.262 176.600 -0.108 0.000 1.012 265 E CA -0.046 56.298 56.400 -0.093 0.000 0.901 265 E CB 1.083 30.663 29.700 -0.201 0.000 0.967 265 E HN 0.750 nan 8.360 nan 0.000 0.435 266 A N 5.125 127.856 122.820 -0.149 0.000 3.077 266 A HA 0.097 4.412 4.320 -0.008 0.000 0.255 266 A C 1.250 178.753 177.584 -0.135 0.000 1.728 266 A CA -0.132 51.838 52.037 -0.112 0.000 1.383 266 A CB -0.877 18.069 19.000 -0.092 0.000 1.097 266 A HN 0.564 nan 8.150 nan 0.000 0.634 267 V N -1.087 118.716 119.914 -0.185 0.000 2.490 267 V HA -0.094 4.021 4.120 -0.008 0.000 0.250 267 V C 1.896 177.949 176.094 -0.068 0.000 1.061 267 V CA 2.200 64.339 62.300 -0.269 0.000 1.064 267 V CB -1.104 30.252 31.823 -0.777 0.000 0.670 267 V HN 0.536 nan 8.190 nan 0.000 0.461 268 G N -0.087 108.687 108.800 -0.044 0.000 2.985 268 G HA2 0.164 4.119 3.960 -0.008 0.000 0.209 268 G HA3 0.164 4.119 3.960 -0.008 0.000 0.209 268 G C 1.197 176.096 174.900 -0.001 0.000 1.165 268 G CA 1.122 46.244 45.100 0.037 0.000 0.776 268 G HN 0.691 nan 8.290 nan 0.000 0.541 269 T N -1.944 112.593 114.554 -0.028 0.000 3.429 269 T HA 0.221 4.566 4.350 -0.008 0.000 0.212 269 T C 1.888 176.531 174.700 -0.096 0.000 0.980 269 T CA -0.015 62.039 62.100 -0.076 0.000 1.201 269 T CB -0.032 68.771 68.868 -0.108 0.000 1.289 269 T HN -0.008 nan 8.240 nan 0.000 0.346 270 L N 0.996 122.127 121.223 -0.154 0.000 2.609 270 L HA 0.430 4.765 4.340 -0.008 0.000 0.230 270 L C 1.277 177.949 176.870 -0.330 0.000 1.087 270 L CA -0.247 54.420 54.840 -0.289 0.000 0.874 270 L CB 0.243 42.192 42.059 -0.184 0.000 1.114 270 L HN 0.253 nan 8.230 nan 0.000 0.488 271 S N 0.704 116.266 115.700 -0.229 0.000 2.549 271 S HA 0.159 4.624 4.470 -0.008 0.000 0.286 271 S C 1.004 175.400 174.600 -0.341 0.000 1.314 271 S CA 0.069 58.115 58.200 -0.257 0.000 1.062 271 S CB 0.126 63.182 63.200 -0.240 0.000 0.865 271 S HN 0.416 nan 8.310 nan 0.000 0.498 272 R N 1.290 121.572 120.500 -0.364 0.000 3.922 272 R HA -0.164 4.171 4.340 -0.008 0.000 0.447 272 R C 0.999 176.978 176.300 -0.536 0.000 1.035 272 R CA 0.909 56.724 56.100 -0.475 0.000 1.289 272 R CB -2.494 27.373 30.300 -0.721 0.000 1.906 272 R HN 0.502 nan 8.270 nan 0.000 0.540 273 V N -0.241 119.324 119.914 -0.582 0.000 2.307 273 V HA -0.146 3.969 4.120 -0.008 0.000 0.245 273 V C 1.165 176.813 176.094 -0.743 0.000 1.045 273 V CA 1.673 63.512 62.300 -0.768 0.000 1.024 273 V CB -0.139 30.949 31.823 -1.224 0.000 0.651 273 V HN 0.241 nan 8.190 nan 0.000 0.449 274 W N 0.477 121.522 121.300 -0.425 0.000 2.349 274 W HA 0.634 5.288 4.660 -0.010 0.000 0.309 274 W C 0.354 176.685 176.519 -0.315 0.000 1.083 274 W CA -0.667 56.428 57.345 -0.417 0.000 1.224 274 W CB 0.751 29.906 29.460 -0.510 0.000 1.256 274 W HN 0.134 nan 8.180 nan 0.000 0.461 275 G N 3.416 112.187 108.800 -0.048 0.000 2.389 275 G HA2 0.454 4.409 3.960 -0.008 0.000 0.328 275 G HA3 0.454 4.409 3.960 -0.008 0.000 0.328 275 G C -1.948 172.918 174.900 -0.057 0.000 1.133 275 G CA -1.210 43.857 45.100 -0.056 0.000 0.891 275 G HN 0.116 nan 8.290 nan 0.000 0.485 276 P HA 0.089 nan 4.420 nan 0.000 0.245 276 P C 0.315 177.682 177.300 0.111 0.000 1.206 276 P CA 0.403 63.545 63.100 0.069 0.000 0.781 276 P CB 0.478 32.208 31.700 0.050 0.000 0.994 277 S N -3.754 111.996 115.700 0.083 0.000 2.587 277 S HA 0.441 4.907 4.470 -0.008 0.000 0.269 277 S C -2.697 171.955 174.600 0.087 0.000 1.154 277 S CA -1.304 56.958 58.200 0.104 0.000 0.824 277 S CB 1.380 64.614 63.200 0.056 0.000 1.118 277 S HN -0.350 nan 8.310 nan 0.000 0.462 278 P HA -0.062 nan 4.420 nan 0.000 0.216 278 P C 0.705 178.007 177.300 0.004 0.000 1.150 278 P CA 1.369 64.484 63.100 0.026 0.000 0.843 278 P CB 0.085 31.733 31.700 -0.086 0.000 0.787 279 K N -1.504 118.897 120.400 0.001 0.000 2.374 279 K HA 0.230 4.545 4.320 -0.008 0.000 0.196 279 K C 0.431 177.036 176.600 0.009 0.000 1.023 279 K CA -0.005 56.281 56.287 -0.001 0.000 1.103 279 K CB -0.571 31.926 32.500 -0.005 0.000 0.848 279 K HN -0.060 nan 8.250 nan 0.000 0.528 280 S N 2.284 117.993 115.700 0.016 0.000 3.682 280 S HA -0.153 4.312 4.470 -0.008 0.000 0.354 280 S C -0.011 174.608 174.600 0.031 0.000 1.034 280 S CA 1.000 59.208 58.200 0.014 0.000 1.084 280 S CB -1.717 61.483 63.200 -0.001 0.000 0.903 280 S HN 0.609 nan 8.310 nan 0.000 0.470 281 N N -0.226 118.500 118.700 0.042 0.000 2.571 281 N HA 0.253 4.988 4.740 -0.008 0.000 0.298 281 N C -0.507 175.082 175.510 0.131 0.000 1.671 281 N CA -0.570 52.546 53.050 0.110 0.000 0.900 281 N CB 0.476 39.018 38.487 0.092 0.000 1.365 281 N HN 0.296 nan 8.380 nan 0.000 0.493 282 Q N -0.386 119.379 119.800 -0.060 0.000 2.544 282 Q HA 0.565 4.900 4.340 -0.008 0.000 0.291 282 Q C -2.917 172.690 176.000 -0.654 0.000 1.068 282 Q CA -1.698 53.942 55.803 -0.271 0.000 0.785 282 Q CB 1.376 30.020 28.738 -0.157 0.000 1.481 282 Q HN 0.053 nan 8.270 nan 0.000 0.430 283 P HA 0.004 nan 4.420 nan 0.000 0.266 283 P C -0.053 177.021 177.300 -0.376 0.000 1.193 283 P CA 0.560 63.162 63.100 -0.830 0.000 0.770 283 P CB 0.416 31.402 31.700 -1.190 0.000 0.836 284 G N 0.849 109.531 108.800 -0.198 0.000 2.574 284 G HA2 0.531 4.486 3.960 -0.008 0.000 0.248 284 G HA3 0.531 4.486 3.960 -0.008 0.000 0.248 284 G C -0.510 174.421 174.900 0.052 0.000 1.422 284 G CA -0.196 44.912 45.100 0.013 0.000 1.051 284 G HN 0.596 nan 8.290 nan 0.000 0.560 285 S N -2.402 113.339 115.700 0.068 0.000 2.643 285 S HA 0.396 4.861 4.470 -0.008 0.000 0.270 285 S C -1.144 173.341 174.600 -0.192 0.000 1.166 285 S CA -0.504 57.645 58.200 -0.085 0.000 0.815 285 S CB 1.604 64.598 63.200 -0.344 0.000 1.139 285 S HN 0.722 nan 8.310 nan 0.000 0.472 286 Q N 1.341 120.837 119.800 -0.508 0.000 2.354 286 Q HA 0.574 4.909 4.340 -0.008 0.000 0.244 286 Q C -1.121 174.621 176.000 -0.430 0.000 0.969 286 Q CA 0.196 55.638 55.803 -0.602 0.000 0.885 286 Q CB 1.191 29.143 28.738 -1.310 0.000 1.241 286 Q HN 0.678 nan 8.270 nan 0.000 0.461 287 S N 1.223 116.769 115.700 -0.257 0.000 2.546 287 S HA 0.323 4.788 4.470 -0.008 0.000 0.274 287 S C -1.260 173.268 174.600 -0.120 0.000 1.121 287 S CA -0.629 57.420 58.200 -0.252 0.000 0.887 287 S CB 1.856 64.900 63.200 -0.260 0.000 1.094 287 S HN 0.618 nan 8.310 nan 0.000 0.474 288 S N 1.542 117.163 115.700 -0.131 0.000 2.508 288 S HA 0.774 5.239 4.470 -0.008 0.000 0.284 288 S C -1.458 173.255 174.600 0.188 0.000 1.192 288 S CA -0.307 57.913 58.200 0.033 0.000 1.070 288 S CB 0.190 63.406 63.200 0.026 0.000 1.004 288 S HN 0.530 nan 8.310 nan 0.000 0.493 289 F N 4.322 124.313 119.950 0.069 0.000 3.051 289 F HA 0.410 4.932 4.527 -0.009 0.000 0.363 289 F C -0.490 175.386 175.800 0.126 0.000 1.257 289 F CA -0.356 57.727 58.000 0.138 0.000 1.126 289 F CB 1.118 40.232 39.000 0.189 0.000 1.476 289 F HN 0.672 nan 8.300 nan 0.000 0.576 290 T N 1.664 116.184 114.554 -0.056 0.000 2.906 290 T HA 0.927 5.272 4.350 -0.008 0.000 0.295 290 T C -0.686 173.955 174.700 -0.098 0.000 1.075 290 T CA -0.907 61.148 62.100 -0.074 0.000 1.005 290 T CB 1.938 70.841 68.868 0.057 0.000 1.136 290 T HN 0.782 nan 8.240 nan 0.000 0.498 291 A N 1.342 124.148 122.820 -0.024 0.000 2.304 291 A HA 0.864 5.179 4.320 -0.008 0.000 0.323 291 A C 0.103 177.752 177.584 0.108 0.000 1.195 291 A CA -0.671 51.415 52.037 0.082 0.000 0.826 291 A CB 0.465 19.559 19.000 0.157 0.000 1.184 291 A HN 1.726 nan 8.150 nan 0.000 0.496 292 V N -0.765 119.223 119.914 0.124 0.000 3.182 292 V HA 0.874 4.989 4.120 -0.008 0.000 0.308 292 V C -0.410 175.750 176.094 0.110 0.000 1.240 292 V CA -0.679 61.698 62.300 0.128 0.000 1.063 292 V CB 1.532 33.415 31.823 0.099 0.000 1.076 292 V HN 0.697 nan 8.190 nan 0.000 0.446 293 T N 2.348 116.989 114.554 0.144 0.000 2.815 293 T HA 0.734 5.079 4.350 -0.008 0.000 0.289 293 T C -0.585 174.193 174.700 0.130 0.000 1.000 293 T CA 0.033 62.203 62.100 0.115 0.000 0.958 293 T CB 0.679 69.609 68.868 0.104 0.000 0.944 293 T HN 0.625 nan 8.240 nan 0.000 0.442 294 I N 2.740 123.334 120.570 0.040 0.000 2.406 294 I HA 0.293 4.459 4.170 -0.008 0.000 0.290 294 I C 0.303 176.446 176.117 0.044 0.000 0.999 294 I CA -0.783 60.530 61.300 0.020 0.000 1.124 294 I CB 1.464 39.378 38.000 -0.144 0.000 1.289 294 I HN 0.632 nan 8.210 nan 0.000 0.441 295 E N 4.849 125.091 120.200 0.070 0.000 2.238 295 E HA -0.292 4.053 4.350 -0.008 0.000 0.219 295 E C 1.073 177.699 176.600 0.044 0.000 1.275 295 E CA 0.870 57.299 56.400 0.049 0.000 0.714 295 E CB -1.387 28.327 29.700 0.024 0.000 1.154 295 E HN 1.227 nan 8.360 nan 0.000 0.363 296 G N -0.090 108.742 108.800 0.054 0.000 2.184 296 G HA2 -0.377 3.578 3.960 -0.008 0.000 0.264 296 G HA3 -0.377 3.578 3.960 -0.008 0.000 0.264 296 G C 0.174 175.102 174.900 0.046 0.000 0.975 296 G CA 0.683 45.810 45.100 0.044 0.000 0.642 296 G HN 0.432 nan 8.290 nan 0.000 0.536 297 M N 0.235 119.870 119.600 0.058 0.000 2.311 297 M HA 0.720 5.195 4.480 -0.008 0.000 0.325 297 M C 0.084 176.438 176.300 0.090 0.000 1.061 297 M CA -1.124 54.223 55.300 0.079 0.000 0.957 297 M CB 1.202 33.869 32.600 0.112 0.000 1.646 297 M HN 0.152 nan 8.290 nan 0.000 0.434 298 R N 3.641 124.192 120.500 0.085 0.000 2.357 298 R HA 0.689 5.024 4.340 -0.008 0.000 0.296 298 R C -1.185 175.291 176.300 0.293 0.000 1.052 298 R CA -0.247 55.915 56.100 0.103 0.000 0.988 298 R CB 0.897 31.160 30.300 -0.063 0.000 1.025 298 R HN 0.605 nan 8.270 nan 0.000 0.469 299 V N 0.528 120.652 119.914 0.351 0.000 3.203 299 V HA 0.600 4.715 4.120 -0.008 0.000 0.305 299 V C -0.940 175.326 176.094 0.286 0.000 1.361 299 V CA -1.238 61.301 62.300 0.398 0.000 1.066 299 V CB 2.211 34.182 31.823 0.247 0.000 1.085 299 V HN 0.727 nan 8.190 nan 0.000 0.456 300 M N 1.711 121.408 119.600 0.162 0.000 2.456 300 M HA 0.697 5.172 4.480 -0.008 0.000 0.324 300 M C -1.337 175.072 176.300 0.181 0.000 1.124 300 M CA -0.474 54.873 55.300 0.080 0.000 0.959 300 M CB 2.159 34.724 32.600 -0.059 0.000 1.692 300 M HN 0.552 nan 8.290 nan 0.000 0.444 301 L N 2.666 123.998 121.223 0.182 0.000 2.356 301 L HA 0.668 5.003 4.340 -0.008 0.000 0.277 301 L C -1.392 175.704 176.870 0.376 0.000 0.996 301 L CA -0.548 54.440 54.840 0.246 0.000 0.822 301 L CB 1.674 43.820 42.059 0.144 0.000 1.256 301 L HN 0.617 nan 8.230 nan 0.000 0.413 302 F N 2.421 122.499 119.950 0.213 0.000 2.578 302 F HA 0.707 5.230 4.527 -0.008 0.000 0.311 302 F C -0.397 175.441 175.800 0.064 0.000 1.094 302 F CA -0.223 57.839 58.000 0.102 0.000 0.923 302 F CB 2.202 41.085 39.000 -0.195 0.000 1.230 302 F HN 0.474 nan 8.300 nan 0.000 0.450 303 T N 1.648 115.739 114.554 -0.772 0.000 2.893 303 T HA 0.630 4.975 4.350 -0.008 0.000 0.291 303 T C -1.569 172.645 174.700 -0.809 0.000 1.028 303 T CA -0.640 61.126 62.100 -0.556 0.000 0.995 303 T CB 1.692 70.407 68.868 -0.255 0.000 1.051 303 T HN 0.970 nan 8.240 nan 0.000 0.470 304 H N 0.895 119.684 119.070 -0.468 0.000 3.094 304 H HA 0.501 5.052 4.556 -0.008 0.000 0.346 304 H C -3.114 172.171 175.328 -0.071 0.000 1.238 304 H CA -1.353 54.524 56.048 -0.285 0.000 1.209 304 H CB 2.203 31.816 29.762 -0.249 0.000 1.911 304 H HN 0.534 nan 8.280 nan 0.000 0.540 305 P HA 0.108 nan 4.420 nan 0.000 0.277 305 P C 0.439 177.881 177.300 0.237 0.000 1.240 305 P CA -0.267 62.856 63.100 0.039 0.000 0.798 305 P CB 1.220 32.889 31.700 -0.052 0.000 0.979 306 L N 0.594 121.893 121.223 0.127 0.000 2.341 306 L HA 0.021 4.356 4.340 -0.008 0.000 0.214 306 L C 0.631 177.631 176.870 0.216 0.000 1.115 306 L CA 0.545 55.494 54.840 0.182 0.000 0.820 306 L CB -0.796 41.307 42.059 0.075 0.000 0.944 306 L HN 0.467 nan 8.230 nan 0.000 0.452 307 N N -0.490 118.287 118.700 0.130 0.000 2.738 307 N HA -0.255 4.480 4.740 -0.008 0.000 0.249 307 N C 0.590 176.270 175.510 0.284 0.000 1.047 307 N CA 0.322 53.466 53.050 0.156 0.000 0.707 307 N CB -1.529 37.032 38.487 0.124 0.000 0.937 307 N HN 0.321 nan 8.380 nan 0.000 0.545 308 F N -0.076 119.900 119.950 0.044 0.000 2.161 308 F HA -0.239 4.283 4.527 -0.008 0.000 0.300 308 F C 2.092 177.909 175.800 0.028 0.000 1.089 308 F CA 1.054 59.075 58.000 0.035 0.000 1.282 308 F CB 0.012 39.032 39.000 0.033 0.000 1.010 308 F HN 0.248 nan 8.300 nan 0.000 0.485 309 K N 0.113 120.649 120.400 0.228 0.000 2.103 309 K HA 0.140 4.455 4.320 -0.008 0.000 0.204 309 K C 0.922 177.579 176.600 0.096 0.000 1.052 309 K CA 0.641 57.011 56.287 0.137 0.000 0.945 309 K CB -0.275 32.290 32.500 0.108 0.000 0.722 309 K HN 0.378 nan 8.250 nan 0.000 0.443 310 G N 0.269 109.119 108.800 0.084 0.000 2.541 310 G HA2 -0.161 3.794 3.960 -0.008 0.000 0.686 310 G HA3 -0.161 3.794 3.960 -0.008 0.000 0.686 310 G C -0.625 174.284 174.900 0.015 0.000 1.286 310 G CA -0.422 44.701 45.100 0.039 0.000 0.894 310 G HN 0.237 nan 8.290 nan 0.000 0.575 311 R N -1.957 118.504 120.500 -0.066 0.000 3.853 311 R HA -0.237 4.098 4.340 -0.008 0.000 0.440 311 R C 1.152 177.328 176.300 -0.207 0.000 0.241 311 R CA 2.427 58.429 56.100 -0.163 0.000 1.395 311 R CB -1.303 29.050 30.300 0.089 0.000 0.984 311 R HN 0.755 nan 8.270 nan 0.000 0.570 312 W N 1.011 122.341 121.300 0.050 0.000 3.220 312 W HA 0.218 4.873 4.660 -0.009 0.000 0.328 312 W C 1.741 178.295 176.519 0.058 0.000 1.205 312 W CA 0.003 57.378 57.345 0.050 0.000 1.773 312 W CB -0.099 29.396 29.460 0.058 0.000 1.086 312 W HN 0.332 nan 8.180 nan 0.000 0.622 313 L N 0.809 122.164 121.223 0.220 0.000 2.013 313 L HA -0.164 4.171 4.340 -0.008 0.000 0.212 313 L C 0.952 177.887 176.870 0.108 0.000 1.073 313 L CA 1.505 56.432 54.840 0.144 0.000 0.753 313 L CB -0.758 41.364 42.059 0.105 0.000 0.890 313 L HN -0.075 nan 8.230 nan 0.000 0.432 314 R N 1.268 121.822 120.500 0.090 0.000 3.152 314 R HA -0.131 4.204 4.340 -0.008 0.000 0.252 314 R C -0.535 175.783 176.300 0.030 0.000 0.930 314 R CA 0.580 56.718 56.100 0.064 0.000 0.642 314 R CB -1.905 28.442 30.300 0.079 0.000 1.205 314 R HN 0.616 nan 8.270 nan 0.000 0.452 315 D N 0.931 121.339 120.400 0.013 0.000 2.354 315 D HA 0.267 4.902 4.640 -0.008 0.000 0.247 315 D C -0.031 176.209 176.300 -0.101 0.000 1.138 315 D CA -0.638 53.340 54.000 -0.036 0.000 0.958 315 D CB 0.660 41.439 40.800 -0.034 0.000 1.144 315 D HN 0.286 nan 8.370 nan 0.000 0.458 316 R N -0.769 119.650 120.500 -0.135 0.000 3.055 316 R HA -0.189 4.146 4.340 -0.008 0.000 0.265 316 R C -0.615 175.601 176.300 -0.141 0.000 0.947 316 R CA -0.236 55.754 56.100 -0.184 0.000 0.652 316 R CB -1.867 28.225 30.300 -0.346 0.000 1.367 316 R HN 0.448 nan 8.270 nan 0.000 0.441 317 L N 1.828 122.961 121.223 -0.149 0.000 2.562 317 L HA 0.095 4.430 4.340 -0.008 0.000 0.271 317 L C 0.136 176.923 176.870 -0.139 0.000 1.167 317 L CA 0.750 55.492 54.840 -0.162 0.000 0.917 317 L CB 0.384 42.264 42.059 -0.299 0.000 1.187 317 L HN 0.219 nan 8.230 nan 0.000 0.482 318 N N 3.578 122.234 118.700 -0.072 0.000 2.384 318 N HA 0.668 5.403 4.740 -0.008 0.000 0.301 318 N C -1.505 173.949 175.510 -0.094 0.000 1.133 318 N CA -0.584 52.406 53.050 -0.100 0.000 0.853 318 N CB 1.679 40.135 38.487 -0.051 0.000 1.241 318 N HN 0.535 nan 8.380 nan 0.000 0.502 319 L N 1.687 122.787 121.223 -0.204 0.000 2.341 319 L HA 0.672 5.007 4.340 -0.008 0.000 0.278 319 L C -1.825 174.931 176.870 -0.190 0.000 1.005 319 L CA -0.414 54.367 54.840 -0.098 0.000 0.818 319 L CB 0.597 42.621 42.059 -0.057 0.000 1.259 319 L HN 0.544 nan 8.230 nan 0.000 0.418 320 W N 5.326 126.716 121.300 0.150 0.000 2.689 320 W HA 0.685 5.340 4.660 -0.007 0.000 0.340 320 W C -1.077 175.614 176.519 0.286 0.000 1.060 320 W CA -0.607 56.897 57.345 0.266 0.000 1.218 320 W CB 1.631 31.345 29.460 0.422 0.000 1.410 320 W HN 0.396 nan 8.180 nan 0.000 0.528 321 L N 2.374 123.930 121.223 0.555 0.000 2.365 321 L HA 0.875 5.210 4.340 -0.008 0.000 0.273 321 L C -0.435 176.748 176.870 0.521 0.000 1.000 321 L CA -0.046 55.054 54.840 0.432 0.000 0.819 321 L CB 2.086 44.320 42.059 0.292 0.000 1.284 321 L HN 0.415 nan 8.230 nan 0.000 0.418 322 T N 1.197 116.013 114.554 0.436 0.000 2.889 322 T HA 0.411 4.756 4.350 -0.008 0.000 0.315 322 T C -1.082 173.816 174.700 0.331 0.000 1.291 322 T CA -0.203 62.160 62.100 0.437 0.000 1.028 322 T CB 1.194 70.269 68.868 0.345 0.000 1.235 322 T HN 0.762 nan 8.240 nan 0.000 0.491 323 D N 2.407 123.002 120.400 0.326 0.000 2.501 323 D HA 0.205 4.840 4.640 -0.008 0.000 0.226 323 D C 0.722 177.087 176.300 0.109 0.000 1.198 323 D CA -0.325 53.844 54.000 0.282 0.000 0.830 323 D CB -0.666 40.359 40.800 0.374 0.000 1.014 323 D HN 0.772 nan 8.370 nan 0.000 0.496 324 N N -0.113 118.536 118.700 -0.085 0.000 2.878 324 N HA -0.241 4.495 4.740 -0.008 0.000 0.247 324 N C 0.208 175.660 175.510 -0.096 0.000 1.021 324 N CA 1.158 54.115 53.050 -0.155 0.000 0.873 324 N CB -0.264 38.100 38.487 -0.205 0.000 1.128 324 N HN 0.487 nan 8.380 nan 0.000 0.571 325 Q N -0.754 118.986 119.800 -0.101 0.000 2.129 325 Q HA 0.219 4.555 4.340 -0.008 0.000 0.164 325 Q C -0.149 175.733 176.000 -0.198 0.000 0.573 325 Q CA -0.365 55.317 55.803 -0.201 0.000 0.812 325 Q CB 0.326 28.919 28.738 -0.241 0.000 1.106 325 Q HN 0.076 nan 8.270 nan 0.000 0.405 326 R N 1.106 121.444 120.500 -0.269 0.000 2.500 326 R HA 0.525 4.860 4.340 -0.008 0.000 0.275 326 R C -0.483 175.910 176.300 0.155 0.000 1.051 326 R CA 0.221 56.204 56.100 -0.194 0.000 1.088 326 R CB 0.807 30.674 30.300 -0.721 0.000 1.063 326 R HN 0.197 nan 8.270 nan 0.000 0.511 327 I N 2.048 122.812 120.570 0.323 0.000 2.497 327 I HA 0.242 4.407 4.170 -0.008 0.000 0.284 327 I C -1.399 175.099 176.117 0.636 0.000 1.060 327 I CA -0.813 60.760 61.300 0.455 0.000 1.071 327 I CB 1.392 39.539 38.000 0.245 0.000 1.216 327 I HN 0.545 nan 8.210 nan 0.000 0.442 328 Y N 6.270 126.925 120.300 0.591 0.000 2.364 328 Y HA 0.422 4.967 4.550 -0.009 0.000 0.340 328 Y C -0.014 176.091 175.900 0.341 0.000 0.975 328 Y CA -0.706 57.675 58.100 0.469 0.000 1.089 328 Y CB 1.413 40.121 38.460 0.412 0.000 1.192 328 Y HN 0.514 nan 8.280 nan 0.000 0.454 329 N N 5.026 123.434 118.700 -0.485 0.000 2.421 329 N HA 0.046 4.781 4.740 -0.008 0.000 0.260 329 N C 0.524 175.541 175.510 -0.821 0.000 1.173 329 N CA 0.340 52.843 53.050 -0.911 0.000 0.960 329 N CB 0.909 38.889 38.487 -0.845 0.000 1.273 329 N HN 0.696 nan 8.380 nan 0.000 0.497 330 V N 2.465 122.125 119.914 -0.424 0.000 2.343 330 V HA 0.099 4.214 4.120 -0.008 0.000 0.247 330 V C 1.496 177.460 176.094 -0.217 0.000 1.051 330 V CA 1.776 63.989 62.300 -0.145 0.000 1.036 330 V CB -1.257 30.560 31.823 -0.010 0.000 0.654 330 V HN 0.900 nan 8.190 nan 0.000 0.451 331 G N -1.236 107.365 108.800 -0.332 0.000 2.302 331 G HA2 0.010 3.965 3.960 -0.008 0.000 0.276 331 G HA3 0.010 3.965 3.960 -0.008 0.000 0.276 331 G C -1.018 173.750 174.900 -0.220 0.000 1.316 331 G CA -0.305 44.640 45.100 -0.258 0.000 0.988 331 G HN 0.197 nan 8.290 nan 0.000 0.479 332 Q N -0.485 119.223 119.800 -0.155 0.000 2.274 332 Q HA 0.572 4.908 4.340 -0.008 0.000 0.256 332 Q C 0.625 176.565 176.000 -0.100 0.000 0.927 332 Q CA -0.463 55.261 55.803 -0.131 0.000 0.939 332 Q CB 1.571 30.240 28.738 -0.116 0.000 1.201 332 Q HN 0.428 nan 8.270 nan 0.000 0.426 333 V N 2.333 122.182 119.914 -0.108 0.000 2.795 333 V HA -0.045 4.070 4.120 -0.008 0.000 0.243 333 V C 1.009 177.078 176.094 -0.043 0.000 1.069 333 V CA 1.109 63.364 62.300 -0.076 0.000 1.089 333 V CB 0.379 32.142 31.823 -0.100 0.000 0.756 333 V HN 0.869 nan 8.190 nan 0.000 0.471 334 S N 0.479 116.117 115.700 -0.103 0.000 2.625 334 S HA 0.429 4.894 4.470 -0.008 0.000 0.258 334 S C -0.265 174.337 174.600 0.004 0.000 1.256 334 S CA -0.201 57.982 58.200 -0.028 0.000 0.983 334 S CB 0.614 63.757 63.200 -0.095 0.000 1.032 334 S HN 0.218 nan 8.310 nan 0.000 0.572 335 I N 0.959 121.545 120.570 0.026 0.000 2.436 335 I HA 0.569 4.735 4.170 -0.008 0.000 0.289 335 I C 1.048 177.163 176.117 -0.003 0.000 1.010 335 I CA -0.150 61.157 61.300 0.011 0.000 1.098 335 I CB 0.968 38.984 38.000 0.027 0.000 1.266 335 I HN 1.150 nan 8.210 nan 0.000 0.434 336 G N 5.651 114.443 108.800 -0.015 0.000 2.566 336 G HA2 -0.307 3.648 3.960 -0.008 0.000 0.280 336 G HA3 -0.307 3.648 3.960 -0.008 0.000 0.280 336 G C 0.253 175.134 174.900 -0.031 0.000 1.225 336 G CA 0.534 45.624 45.100 -0.016 0.000 0.966 336 G HN 0.888 nan 8.290 nan 0.000 0.560 337 D N 1.655 122.044 120.400 -0.018 0.000 2.427 337 D HA 0.159 4.794 4.640 -0.008 0.000 0.224 337 D C 0.926 177.217 176.300 -0.015 0.000 1.157 337 D CA 0.686 54.672 54.000 -0.024 0.000 0.828 337 D CB -0.602 40.200 40.800 0.004 0.000 0.974 337 D HN 0.965 nan 8.370 nan 0.000 0.498 338 E N 0.361 120.554 120.200 -0.012 0.000 2.422 338 E HA 0.015 4.360 4.350 -0.008 0.000 0.260 338 E C -0.298 176.297 176.600 -0.008 0.000 1.108 338 E CA -0.418 55.979 56.400 -0.004 0.000 0.943 338 E CB 0.305 30.011 29.700 0.010 0.000 0.961 338 E HN -0.071 nan 8.360 nan 0.000 0.443 339 N N 1.294 119.990 118.700 -0.008 0.000 2.470 339 N HA 0.082 4.818 4.740 -0.008 0.000 0.268 339 N C -0.967 174.553 175.510 0.017 0.000 1.136 339 N CA -0.076 52.972 53.050 -0.003 0.000 0.961 339 N CB 1.149 39.623 38.487 -0.022 0.000 1.067 339 N HN 0.563 nan 8.380 nan 0.000 0.468 340 S N -0.605 115.109 115.700 0.024 0.000 2.385 340 S HA 0.554 5.019 4.470 -0.008 0.000 0.191 340 S C 0.342 174.961 174.600 0.032 0.000 1.196 340 S CA -0.799 57.430 58.200 0.048 0.000 1.178 340 S CB 0.657 63.854 63.200 -0.006 0.000 1.258 340 S HN 0.522 nan 8.310 nan 0.000 0.430 341 A N 2.431 125.317 122.820 0.109 0.000 1.865 341 A HA 0.446 4.762 4.320 -0.008 0.000 0.216 341 A C 0.253 178.010 177.584 0.289 0.000 1.315 341 A CA 0.733 52.874 52.037 0.174 0.000 0.605 341 A CB -0.599 18.542 19.000 0.235 0.000 0.984 341 A HN 0.699 nan 8.150 nan 0.000 0.470 342 Y N 0.425 120.732 120.300 0.012 0.000 2.300 342 Y HA 0.507 5.053 4.550 -0.007 0.000 0.328 342 Y C 0.837 176.753 175.900 0.027 0.000 1.270 342 Y CA -0.945 57.151 58.100 -0.007 0.000 1.352 342 Y CB 0.535 38.998 38.460 0.005 0.000 1.286 342 Y HN 0.518 nan 8.280 nan 0.000 0.536 343 S N -0.567 115.223 115.700 0.151 0.000 2.587 343 S HA 0.687 5.153 4.470 -0.008 0.000 0.269 343 S C -1.114 173.535 174.600 0.083 0.000 1.154 343 S CA -0.956 57.315 58.200 0.118 0.000 0.824 343 S CB 1.972 65.186 63.200 0.024 0.000 1.118 343 S HN 0.570 nan 8.310 nan 0.000 0.462 344 S N 0.327 116.095 115.700 0.113 0.000 2.572 344 S HA 0.661 5.126 4.470 -0.008 0.000 0.274 344 S C -1.617 173.066 174.600 0.138 0.000 1.150 344 S CA -0.483 57.787 58.200 0.115 0.000 0.944 344 S CB 1.288 64.565 63.200 0.129 0.000 1.071 344 S HN 0.935 nan 8.310 nan 0.000 0.479 345 V N 5.204 125.198 119.914 0.133 0.000 2.495 345 V HA 0.684 4.799 4.120 -0.008 0.000 0.298 345 V C -0.538 175.672 176.094 0.193 0.000 1.031 345 V CA -0.684 61.708 62.300 0.153 0.000 0.871 345 V CB 1.437 33.329 31.823 0.116 0.000 0.988 345 V HN 0.791 nan 8.190 nan 0.000 0.432 346 L N 5.114 126.489 121.223 0.253 0.000 2.386 346 L HA 0.650 4.985 4.340 -0.008 0.000 0.271 346 L C -1.507 175.594 176.870 0.385 0.000 0.993 346 L CA -0.436 54.581 54.840 0.294 0.000 0.819 346 L CB 1.870 44.103 42.059 0.290 0.000 1.294 346 L HN 0.634 nan 8.230 nan 0.000 0.414 347 Y N 4.856 125.265 120.300 0.182 0.000 2.328 347 Y HA 0.612 5.156 4.550 -0.009 0.000 0.333 347 Y C -1.021 174.977 175.900 0.164 0.000 0.958 347 Y CA -0.724 57.469 58.100 0.155 0.000 1.167 347 Y CB 0.973 39.494 38.460 0.101 0.000 1.151 347 Y HN 0.693 nan 8.280 nan 0.000 0.470 348 K N 5.332 125.674 120.400 -0.096 0.000 2.565 348 K HA 0.257 4.573 4.320 -0.008 0.000 0.249 348 K C -0.955 175.556 176.600 -0.148 0.000 0.958 348 K CA -0.432 55.805 56.287 -0.083 0.000 0.806 348 K CB 0.946 33.515 32.500 0.115 0.000 1.194 348 K HN 0.759 nan 8.250 nan 0.000 0.434 349 D N 3.520 123.803 120.400 -0.196 0.000 2.737 349 D HA -0.215 4.420 4.640 -0.008 0.000 0.233 349 D C -0.448 175.747 176.300 -0.176 0.000 1.155 349 D CA 1.963 55.878 54.000 -0.141 0.000 0.667 349 D CB -0.627 40.146 40.800 -0.045 0.000 1.060 349 D HN 0.987 nan 8.370 nan 0.000 0.427 350 D N -1.377 118.782 120.400 -0.400 0.000 3.017 350 D HA -0.171 4.465 4.640 -0.008 0.000 0.220 350 D C -0.643 175.630 176.300 -0.045 0.000 1.141 350 D CA 1.078 54.937 54.000 -0.236 0.000 0.848 350 D CB -0.178 40.593 40.800 -0.048 0.000 1.102 350 D HN 0.369 nan 8.370 nan 0.000 0.427 351 K N -0.216 120.130 120.400 -0.089 0.000 2.426 351 K HA 0.652 4.967 4.320 -0.008 0.000 0.251 351 K C -0.754 175.800 176.600 -0.077 0.000 0.941 351 K CA -1.070 55.162 56.287 -0.091 0.000 0.808 351 K CB 2.282 34.679 32.500 -0.171 0.000 1.265 351 K HN 0.034 nan 8.250 nan 0.000 0.432 352 L N 2.200 123.280 121.223 -0.238 0.000 2.346 352 L HA 0.510 4.845 4.340 -0.008 0.000 0.276 352 L C -1.601 175.018 176.870 -0.418 0.000 1.006 352 L CA -0.335 54.433 54.840 -0.120 0.000 0.817 352 L CB 0.916 42.972 42.059 -0.006 0.000 1.272 352 L HN 0.506 nan 8.230 nan 0.000 0.421 353 Y N 2.520 122.848 120.300 0.046 0.000 2.581 353 Y HA 0.666 5.210 4.550 -0.009 0.000 0.345 353 Y C -0.530 175.347 175.900 -0.039 0.000 1.036 353 Y CA -0.761 57.291 58.100 -0.079 0.000 1.042 353 Y CB 2.036 40.435 38.460 -0.102 0.000 1.289 353 Y HN 0.629 nan 8.280 nan 0.000 0.471 354 C N 2.618 121.952 119.300 0.056 0.000 2.608 354 C HA 0.745 5.200 4.460 -0.008 0.000 0.325 354 C C -1.683 173.365 174.990 0.096 0.000 1.147 354 C CA -0.693 58.388 59.018 0.103 0.000 1.359 354 C CB 0.373 28.183 27.740 0.117 0.000 1.912 354 C HN 0.775 nan 8.230 nan 0.000 0.466 355 L N 6.789 128.120 121.223 0.180 0.000 2.298 355 L HA 0.784 5.119 4.340 -0.008 0.000 0.284 355 L C -0.292 176.684 176.870 0.178 0.000 1.013 355 L CA 0.567 55.519 54.840 0.186 0.000 0.824 355 L CB 0.719 42.914 42.059 0.228 0.000 1.221 355 L HN 0.969 nan 8.230 nan 0.000 0.418 356 H N 1.421 120.539 119.070 0.079 0.000 2.977 356 H HA 0.612 5.163 4.556 -0.008 0.000 0.350 356 H C -1.263 174.104 175.328 0.065 0.000 1.238 356 H CA -0.970 55.117 56.048 0.065 0.000 1.124 356 H CB 0.895 30.688 29.762 0.051 0.000 1.866 356 H HN 0.537 nan 8.280 nan 0.000 0.550 357 E N 0.912 121.308 120.200 0.326 0.000 2.331 357 E HA 0.359 4.705 4.350 -0.008 0.000 0.272 357 E C -0.219 176.543 176.600 0.270 0.000 1.036 357 E CA -0.491 56.050 56.400 0.235 0.000 0.864 357 E CB 1.310 31.133 29.700 0.206 0.000 1.035 357 E HN 0.542 nan 8.360 nan 0.000 0.408 358 I N -0.149 120.506 120.570 0.141 0.000 2.730 358 I HA 0.531 4.696 4.170 -0.008 0.000 0.298 358 I C -1.034 175.055 176.117 -0.047 0.000 1.089 358 I CA -0.887 60.457 61.300 0.073 0.000 1.041 358 I CB 2.212 40.240 38.000 0.046 0.000 1.235 358 I HN 0.385 nan 8.210 nan 0.000 0.423 359 N N 3.378 121.994 118.700 -0.141 0.000 2.533 359 N HA 0.367 5.102 4.740 -0.008 0.000 0.289 359 N C -1.753 173.611 175.510 -0.244 0.000 1.103 359 N CA -0.271 52.553 53.050 -0.376 0.000 0.877 359 N CB 1.863 39.970 38.487 -0.633 0.000 1.419 359 N HN 0.703 nan 8.380 nan 0.000 0.517 360 S N 2.589 118.160 115.700 -0.215 0.000 2.498 360 S HA 0.312 4.778 4.470 -0.008 0.000 0.317 360 S C 0.065 174.596 174.600 -0.115 0.000 1.090 360 S CA -0.582 57.544 58.200 -0.123 0.000 1.089 360 S CB 0.888 64.043 63.200 -0.075 0.000 0.997 360 S HN 0.741 nan 8.310 nan 0.000 0.470 361 N N 2.891 121.545 118.700 -0.077 0.000 2.708 361 N HA -0.162 4.574 4.740 -0.008 0.000 0.249 361 N C -0.520 174.978 175.510 -0.019 0.000 1.097 361 N CA 1.140 54.169 53.050 -0.034 0.000 0.710 361 N CB -0.675 37.805 38.487 -0.011 0.000 1.032 361 N HN 0.760 nan 8.380 nan 0.000 0.551 362 E N -3.384 116.760 120.200 -0.093 0.000 2.759 362 E HA -0.165 4.180 4.350 -0.008 0.000 0.280 362 E C -0.761 175.921 176.600 0.136 0.000 1.009 362 E CA 0.763 57.165 56.400 0.005 0.000 0.849 362 E CB -1.774 28.009 29.700 0.139 0.000 1.415 362 E HN 0.378 nan 8.360 nan 0.000 0.412 363 V N 0.819 120.697 119.914 -0.059 0.000 2.531 363 V HA 0.551 4.666 4.120 -0.008 0.000 0.301 363 V C -0.350 175.705 176.094 -0.065 0.000 1.034 363 V CA -0.755 61.591 62.300 0.076 0.000 0.865 363 V CB 1.346 33.136 31.823 -0.055 0.000 0.995 363 V HN 0.089 nan 8.190 nan 0.000 0.424 364 Y N 1.450 121.769 120.300 0.032 0.000 2.393 364 Y HA 0.754 5.299 4.550 -0.008 0.000 0.341 364 Y C 0.551 176.500 175.900 0.081 0.000 0.988 364 Y CA -0.511 57.610 58.100 0.036 0.000 1.078 364 Y CB 2.480 40.948 38.460 0.013 0.000 1.203 364 Y HN 0.619 nan 8.280 nan 0.000 0.453 365 S N 2.304 118.133 115.700 0.215 0.000 2.671 365 S HA 0.715 5.180 4.470 -0.008 0.000 0.299 365 S C -1.258 173.418 174.600 0.126 0.000 1.116 365 S CA -0.917 57.403 58.200 0.199 0.000 0.912 365 S CB 1.348 64.614 63.200 0.110 0.000 1.130 365 S HN 0.452 nan 8.310 nan 0.000 0.501 366 L N 2.342 123.610 121.223 0.074 0.000 2.343 366 L HA 0.578 4.913 4.340 -0.008 0.000 0.278 366 L C -0.394 176.475 176.870 -0.001 0.000 0.996 366 L CA -0.902 53.935 54.840 -0.004 0.000 0.831 366 L CB 1.483 43.468 42.059 -0.124 0.000 1.232 366 L HN 0.492 nan 8.230 nan 0.000 0.413 367 V N 0.222 120.070 119.914 -0.110 0.000 2.716 367 V HA 0.548 4.664 4.120 -0.008 0.000 0.304 367 V C -0.837 175.262 176.094 0.009 0.000 1.053 367 V CA -0.634 61.614 62.300 -0.086 0.000 0.984 367 V CB 1.918 33.628 31.823 -0.188 0.000 1.021 367 V HN 0.547 nan 8.190 nan 0.000 0.467 368 F N 3.234 123.145 119.950 -0.065 0.000 2.449 368 F HA 0.845 5.367 4.527 -0.008 0.000 0.342 368 F C 0.114 175.965 175.800 0.084 0.000 1.127 368 F CA -0.472 57.542 58.000 0.023 0.000 0.975 368 F CB 0.901 39.917 39.000 0.027 0.000 1.146 368 F HN 0.966 nan 8.300 nan 0.000 0.444 369 A N 6.559 129.159 122.820 -0.367 0.000 2.342 369 A HA 0.719 5.034 4.320 -0.008 0.000 0.323 369 A C -0.742 176.674 177.584 -0.281 0.000 1.125 369 A CA -0.938 50.964 52.037 -0.225 0.000 0.785 369 A CB 0.909 19.874 19.000 -0.058 0.000 1.221 369 A HN 0.842 nan 8.150 nan 0.000 0.463 370 R N 2.393 122.807 120.500 -0.144 0.000 2.204 370 R HA 0.309 4.644 4.340 -0.008 0.000 0.341 370 R C -0.801 175.421 176.300 -0.131 0.000 1.035 370 R CA -0.199 55.818 56.100 -0.139 0.000 0.887 370 R CB 0.540 30.819 30.300 -0.035 0.000 1.114 370 R HN 0.648 nan 8.270 nan 0.000 0.473 371 L N 3.925 125.048 121.223 -0.167 0.000 2.727 371 L HA 0.096 4.431 4.340 -0.008 0.000 0.237 371 L C 1.385 178.196 176.870 -0.099 0.000 1.370 371 L CA -0.294 54.484 54.840 -0.102 0.000 1.248 371 L CB -0.004 42.012 42.059 -0.072 0.000 1.556 371 L HN 0.511 nan 8.230 nan 0.000 0.420 372 V N 1.007 120.868 119.914 -0.089 0.000 2.343 372 V HA -0.213 3.902 4.120 -0.008 0.000 0.247 372 V C 2.498 178.567 176.094 -0.042 0.000 1.051 372 V CA 2.346 64.606 62.300 -0.067 0.000 1.036 372 V CB -0.662 31.133 31.823 -0.047 0.000 0.654 372 V HN 0.799 nan 8.190 nan 0.000 0.451 373 G N -0.549 108.230 108.800 -0.034 0.000 2.402 373 G HA2 -0.193 3.763 3.960 -0.008 0.000 0.216 373 G HA3 -0.193 3.763 3.960 -0.008 0.000 0.216 373 G C 1.425 176.311 174.900 -0.023 0.000 1.162 373 G CA 0.730 45.816 45.100 -0.023 0.000 0.777 373 G HN 0.514 nan 8.290 nan 0.000 0.539 374 E N -0.036 120.147 120.200 -0.028 0.000 2.085 374 E HA -0.092 4.253 4.350 -0.008 0.000 0.194 374 E C 2.288 178.872 176.600 -0.027 0.000 0.994 374 E CA 0.492 56.878 56.400 -0.023 0.000 0.801 374 E CB -0.392 29.292 29.700 -0.026 0.000 0.743 374 E HN 0.339 nan 8.360 nan 0.000 0.453 375 L N 0.904 122.106 121.223 -0.036 0.000 2.083 375 L HA -0.114 4.221 4.340 -0.008 0.000 0.209 375 L C 2.251 179.097 176.870 -0.040 0.000 1.083 375 L CA 1.724 56.541 54.840 -0.039 0.000 0.752 375 L CB -0.337 41.708 42.059 -0.022 0.000 0.899 375 L HN 0.006 nan 8.230 nan 0.000 0.433 376 R N -0.273 120.208 120.500 -0.032 0.000 2.080 376 R HA -0.183 4.152 4.340 -0.008 0.000 0.236 376 R C 2.347 178.620 176.300 -0.044 0.000 1.137 376 R CA 2.266 58.346 56.100 -0.032 0.000 0.943 376 R CB -0.474 29.812 30.300 -0.023 0.000 0.846 376 R HN 0.447 nan 8.270 nan 0.000 0.431 377 I N 0.755 121.304 120.570 -0.035 0.000 2.208 377 I HA -0.315 3.850 4.170 -0.008 0.000 0.245 377 I C 2.362 178.421 176.117 -0.097 0.000 1.097 377 I CA 1.344 62.622 61.300 -0.037 0.000 1.363 377 I CB -0.218 37.793 38.000 0.019 0.000 1.051 377 I HN 0.270 nan 8.210 nan 0.000 0.413 378 I N 0.611 121.127 120.570 -0.089 0.000 2.163 378 I HA -0.349 3.817 4.170 -0.008 0.000 0.243 378 I C 2.510 178.509 176.117 -0.198 0.000 1.085 378 I CA 1.634 62.846 61.300 -0.147 0.000 1.347 378 I CB -0.387 37.551 38.000 -0.103 0.000 1.044 378 I HN 0.158 nan 8.210 nan 0.000 0.408 379 K N -0.053 120.266 120.400 -0.135 0.000 2.147 379 K HA -0.168 4.148 4.320 -0.008 0.000 0.205 379 K C 2.362 178.876 176.600 -0.143 0.000 1.049 379 K CA 1.511 57.725 56.287 -0.120 0.000 0.936 379 K CB -0.159 32.300 32.500 -0.069 0.000 0.722 379 K HN 0.196 nan 8.250 nan 0.000 0.446 380 S N 0.369 115.982 115.700 -0.146 0.000 2.368 380 S HA -0.096 4.369 4.470 -0.008 0.000 0.224 380 S C 1.956 176.419 174.600 -0.230 0.000 1.029 380 S CA 1.002 59.115 58.200 -0.145 0.000 0.988 380 S CB -0.078 63.059 63.200 -0.105 0.000 0.838 380 S HN 0.066 nan 8.310 nan 0.000 0.462 381 V N 2.359 122.051 119.914 -0.369 0.000 2.343 381 V HA -0.112 4.003 4.120 -0.008 0.000 0.247 381 V C 2.396 178.042 176.094 -0.746 0.000 1.051 381 V CA 1.654 63.578 62.300 -0.625 0.000 1.036 381 V CB -0.713 30.526 31.823 -0.974 0.000 0.654 381 V HN 0.485 nan 8.190 nan 0.000 0.451 382 L N -0.464 120.426 121.223 -0.555 0.000 2.131 382 L HA -0.218 4.117 4.340 -0.008 0.000 0.210 382 L C 2.610 179.410 176.870 -0.116 0.000 1.092 382 L CA 1.404 56.038 54.840 -0.344 0.000 0.759 382 L CB -0.513 41.429 42.059 -0.194 0.000 0.903 382 L HN 0.367 nan 8.230 nan 0.000 0.435 383 Q N 0.072 119.796 119.800 -0.127 0.000 2.046 383 Q HA -0.132 4.203 4.340 -0.008 0.000 0.200 383 Q C 2.366 178.330 176.000 -0.060 0.000 0.975 383 Q CA 2.009 57.767 55.803 -0.074 0.000 0.836 383 Q CB -0.158 28.525 28.738 -0.092 0.000 0.896 383 Q HN 0.290 nan 8.270 nan 0.000 0.428 384 S N -0.350 115.307 115.700 -0.073 0.000 2.400 384 S HA -0.151 4.314 4.470 -0.008 0.000 0.232 384 S C 1.260 176.006 174.600 0.245 0.000 1.025 384 S CA 1.189 59.386 58.200 -0.003 0.000 0.993 384 S CB -0.405 62.848 63.200 0.087 0.000 0.808 384 S HN 0.474 nan 8.310 nan 0.000 0.478 385 W N 1.879 123.241 121.300 0.104 0.000 2.409 385 W HA 0.137 4.792 4.660 -0.009 0.000 0.299 385 W C 2.358 179.002 176.519 0.208 0.000 1.203 385 W CA 0.094 57.599 57.345 0.267 0.000 1.298 385 W CB -1.015 28.609 29.460 0.274 0.000 1.127 385 W HN 0.259 nan 8.180 nan 0.000 0.528 386 K N 0.326 120.921 120.400 0.325 0.000 2.057 386 K HA -0.193 4.123 4.320 -0.008 0.000 0.207 386 K C 1.720 178.375 176.600 0.092 0.000 1.049 386 K CA 1.672 58.070 56.287 0.184 0.000 0.931 386 K CB -0.279 32.286 32.500 0.107 0.000 0.714 386 K HN -0.040 nan 8.250 nan 0.000 0.440 387 N N 0.377 119.057 118.700 -0.033 0.000 2.043 387 N HA -0.174 4.561 4.740 -0.008 0.000 0.193 387 N C 1.489 176.897 175.510 -0.169 0.000 1.037 387 N CA 1.647 54.572 53.050 -0.209 0.000 0.851 387 N CB -0.552 37.657 38.487 -0.463 0.000 1.027 387 N HN 0.358 nan 8.380 nan 0.000 0.422 388 W N 1.183 122.503 121.300 0.034 0.000 2.402 388 W HA -0.044 4.611 4.660 -0.009 0.000 0.286 388 W C 1.754 178.376 176.519 0.172 0.000 1.221 388 W CA 0.057 57.430 57.345 0.047 0.000 1.257 388 W CB -0.109 29.265 29.460 -0.143 0.000 1.120 388 W HN 0.013 nan 8.180 nan 0.000 0.551 389 D N -0.476 120.161 120.400 0.395 0.000 2.144 389 D HA -0.167 4.468 4.640 -0.008 0.000 0.200 389 D C 2.238 178.658 176.300 0.199 0.000 0.978 389 D CA 1.626 55.804 54.000 0.297 0.000 0.833 389 D CB -0.643 40.308 40.800 0.252 0.000 0.961 389 D HN -0.037 nan 8.370 nan 0.000 0.470 390 S N -0.753 115.045 115.700 0.163 0.000 2.355 390 S HA -0.226 4.239 4.470 -0.008 0.000 0.222 390 S C 1.969 176.643 174.600 0.124 0.000 1.031 390 S CA 1.488 59.754 58.200 0.109 0.000 0.993 390 S CB -0.281 62.960 63.200 0.068 0.000 0.859 390 S HN 0.363 nan 8.310 nan 0.000 0.453 391 H N 1.176 120.288 119.070 0.069 0.000 2.290 391 H HA 0.001 4.552 4.556 -0.008 0.000 0.298 391 H C 1.922 177.326 175.328 0.128 0.000 1.087 391 H CA 2.321 58.420 56.048 0.085 0.000 1.291 391 H CB -0.583 29.238 29.762 0.097 0.000 1.369 391 H HN 0.380 nan 8.280 nan 0.000 0.492 392 L N -0.724 120.550 121.223 0.085 0.000 2.083 392 L HA -0.137 4.198 4.340 -0.008 0.000 0.209 392 L C 2.591 179.446 176.870 -0.025 0.000 1.083 392 L CA 1.356 56.196 54.840 0.001 0.000 0.752 392 L CB -0.416 41.717 42.059 0.124 0.000 0.899 392 L HN 0.240 nan 8.230 nan 0.000 0.433 393 S N -0.832 114.881 115.700 0.021 0.000 2.474 393 S HA -0.108 4.357 4.470 -0.008 0.000 0.235 393 S C 2.035 176.628 174.600 -0.011 0.000 0.997 393 S CA 1.226 59.434 58.200 0.013 0.000 0.949 393 S CB -0.098 63.124 63.200 0.037 0.000 0.766 393 S HN 0.604 nan 8.310 nan 0.000 0.517 394 S N 0.279 115.958 115.700 -0.035 0.000 2.517 394 S HA 0.270 4.735 4.470 -0.008 0.000 0.214 394 S C 0.489 175.057 174.600 -0.052 0.000 0.991 394 S CA -0.394 57.786 58.200 -0.032 0.000 0.906 394 S CB -0.326 62.867 63.200 -0.012 0.000 0.789 394 S HN 0.350 nan 8.310 nan 0.000 0.513 395 I N 2.355 122.869 120.570 -0.093 0.000 2.668 395 I HA 0.003 4.168 4.170 -0.008 0.000 0.285 395 I C 0.598 176.688 176.117 -0.045 0.000 1.168 395 I CA -0.377 60.874 61.300 -0.081 0.000 1.424 395 I CB 0.323 38.258 38.000 -0.108 0.000 1.377 395 I HN 0.308 nan 8.210 nan 0.000 0.560 396 c N 7.911 126.492 118.600 -0.032 0.000 2.345 396 c HA 0.209 4.774 4.570 -0.008 0.000 0.349 396 c C 1.210 175.281 174.090 -0.032 0.000 1.130 396 c CA -0.619 55.695 56.329 -0.026 0.000 1.574 396 c CB -1.489 41.011 42.510 -0.018 0.000 2.108 396 c HN 0.856 nan 8.230 nan 0.000 0.516 397 T N 5.367 119.899 114.554 -0.037 0.000 2.918 397 T HA 0.388 4.733 4.350 -0.008 0.000 0.302 397 T C -2.456 172.215 174.700 -0.047 0.000 1.045 397 T CA -1.063 61.009 62.100 -0.046 0.000 1.114 397 T CB 0.776 69.615 68.868 -0.049 0.000 0.965 397 T HN 0.557 nan 8.240 nan 0.000 0.540 398 P HA 0.372 nan 4.420 nan 0.000 0.271 398 P C -0.068 177.201 177.300 -0.051 0.000 1.218 398 P CA -0.443 62.623 63.100 -0.057 0.000 0.780 398 P CB 0.210 31.864 31.700 -0.077 0.000 0.901 410 c N 1.387 119.977 118.600 -0.016 0.000 2.626 410 c HA 0.916 5.481 4.570 -0.008 0.000 0.310 410 c C 1.290 175.367 174.090 -0.022 0.000 1.191 410 c CA -0.013 56.304 56.329 -0.020 0.000 1.517 410 c CB 1.350 43.849 42.510 -0.019 0.000 2.102 410 c HN 1.118 nan 8.230 nan 0.000 0.479 411 G N 2.347 111.130 108.800 -0.027 0.000 2.529 411 G HA2 0.449 4.404 3.960 -0.008 0.000 0.277 411 G HA3 0.449 4.404 3.960 -0.008 0.000 0.277 411 G C -2.624 172.260 174.900 -0.026 0.000 1.383 411 G CA -0.300 44.783 45.100 -0.028 0.000 1.050 411 G HN 0.572 nan 8.290 nan 0.000 0.526 412 P HA 0.385 nan 4.420 nan 0.000 0.272 412 P C -0.137 177.147 177.300 -0.028 0.000 1.223 412 P CA -0.143 62.942 63.100 -0.026 0.000 0.784 412 P CB 0.784 32.468 31.700 -0.028 0.000 0.923 413 A N 2.563 125.369 122.820 -0.024 0.000 2.445 413 A HA 0.185 4.500 4.320 -0.008 0.000 0.242 413 A C 0.170 177.741 177.584 -0.021 0.000 1.075 413 A CA -0.306 51.718 52.037 -0.021 0.000 0.777 413 A CB -0.161 18.831 19.000 -0.013 0.000 1.013 413 A HN 0.411 nan 8.150 nan 0.000 0.493 414 V N 2.285 122.188 119.914 -0.017 0.000 2.585 414 V HA 0.135 4.250 4.120 -0.008 0.000 0.296 414 V C 1.247 177.347 176.094 0.011 0.000 1.035 414 V CA 0.590 62.885 62.300 -0.007 0.000 1.084 414 V CB 1.030 32.851 31.823 -0.003 0.000 0.953 414 V HN 0.993 nan 8.190 nan 0.000 0.483 415 T N 3.367 117.929 114.554 0.014 0.000 2.869 415 T HA 0.286 4.631 4.350 -0.008 0.000 0.295 415 T C 0.892 175.664 174.700 0.121 0.000 0.987 415 T CA 0.199 62.319 62.100 0.034 0.000 1.109 415 T CB 0.869 69.721 68.868 -0.026 0.000 0.932 415 T HN 1.022 nan 8.240 nan 0.000 0.518 416 T N 1.309 115.919 114.554 0.094 0.000 3.043 416 T HA 0.263 4.608 4.350 -0.008 0.000 0.272 416 T C 0.279 175.009 174.700 0.049 0.000 0.990 416 T CA -0.267 61.881 62.100 0.080 0.000 0.897 416 T CB 0.025 68.931 68.868 0.064 0.000 1.111 416 T HN 0.357 nan 8.240 nan 0.000 0.529 417 V N 2.416 122.369 119.914 0.065 0.000 2.439 417 V HA 0.545 4.660 4.120 -0.008 0.000 0.271 417 V C 1.596 177.716 176.094 0.043 0.000 1.040 417 V CA 0.904 63.220 62.300 0.027 0.000 1.002 417 V CB -0.175 31.654 31.823 0.010 0.000 1.000 417 V HN 0.856 nan 8.190 nan 0.000 0.477 418 G N 4.376 113.156 108.800 -0.034 0.000 2.157 418 G HA2 -0.212 3.743 3.960 -0.008 0.000 0.248 418 G HA3 -0.212 3.743 3.960 -0.008 0.000 0.248 418 G C -0.204 174.608 174.900 -0.147 0.000 0.979 418 G CA 0.102 45.157 45.100 -0.075 0.000 0.650 418 G HN 0.752 nan 8.290 nan 0.000 0.529 419 L N 1.048 122.104 121.223 -0.280 0.000 2.360 419 L HA 0.682 5.017 4.340 -0.008 0.000 0.276 419 L C 1.207 177.666 176.870 -0.684 0.000 1.121 419 L CA 0.333 54.755 54.840 -0.698 0.000 0.845 419 L CB 1.623 43.261 42.059 -0.701 0.000 1.143 419 L HN 0.024 nan 8.230 nan 0.000 0.452 420 V N 4.032 123.562 119.914 -0.641 0.000 3.013 420 V HA 0.491 4.606 4.120 -0.008 0.000 0.238 420 V C 0.863 176.740 176.094 -0.362 0.000 1.161 420 V CA 0.696 62.692 62.300 -0.507 0.000 1.170 420 V CB 0.518 32.117 31.823 -0.372 0.000 0.917 420 V HN 0.883 nan 8.190 nan 0.000 0.478 421 G N -1.175 107.502 108.800 -0.204 0.000 2.659 421 G HA2 0.636 4.591 3.960 -0.008 0.000 0.296 421 G HA3 0.636 4.591 3.960 -0.008 0.000 0.296 421 G C -1.921 173.220 174.900 0.401 0.000 1.369 421 G CA -0.399 44.851 45.100 0.250 0.000 0.937 421 G HN 0.011 nan 8.290 nan 0.000 0.485 422 F N 1.644 121.750 119.950 0.260 0.000 2.653 422 F HA 0.498 5.020 4.527 -0.007 0.000 0.327 422 F C -1.257 174.407 175.800 -0.227 0.000 1.195 422 F CA -1.101 56.905 58.000 0.010 0.000 0.993 422 F CB 1.467 40.482 39.000 0.026 0.000 1.259 422 F HN 0.209 nan 8.300 nan 0.000 0.478 423 L N 6.144 127.197 121.223 -0.284 0.000 2.298 423 L HA 0.483 4.819 4.340 -0.008 0.000 0.284 423 L C -0.096 176.423 176.870 -0.585 0.000 1.013 423 L CA -0.084 54.257 54.840 -0.833 0.000 0.824 423 L CB 1.568 42.620 42.059 -1.678 0.000 1.221 423 L HN 0.616 nan 8.230 nan 0.000 0.418 424 S N -0.076 115.383 115.700 -0.403 0.000 4.297 424 S HA 0.141 4.606 4.470 -0.008 0.000 0.226 424 S C 0.968 175.637 174.600 0.116 0.000 1.134 424 S CA -0.111 57.979 58.200 -0.183 0.000 1.591 424 S CB 0.221 63.014 63.200 -0.678 0.000 1.393 424 S HN 0.798 nan 8.310 nan 0.000 0.727 425 H N 1.395 120.412 119.070 -0.087 0.000 2.423 425 H HA 0.344 4.895 4.556 -0.008 0.000 0.297 425 H C 0.374 175.701 175.328 -0.002 0.000 1.075 425 H CA 1.591 57.625 56.048 -0.024 0.000 1.342 425 H CB -0.187 29.557 29.762 -0.030 0.000 1.395 425 H HN 0.192 nan 8.280 nan 0.000 0.530 426 S N 0.244 115.949 115.700 0.008 0.000 2.528 426 S HA 0.569 5.034 4.470 -0.008 0.000 0.277 426 S C -0.442 174.176 174.600 0.029 0.000 1.297 426 S CA 0.029 58.227 58.200 -0.003 0.000 1.052 426 S CB 1.130 64.347 63.200 0.029 0.000 0.917 426 S HN 0.579 nan 8.310 nan 0.000 0.492 427 A N 2.342 125.141 122.820 -0.036 0.000 2.582 427 A HA 0.684 4.999 4.320 -0.008 0.000 0.297 427 A C 0.055 177.608 177.584 -0.052 0.000 1.059 427 A CA -0.751 51.266 52.037 -0.034 0.000 0.705 427 A CB 0.773 19.681 19.000 -0.154 0.000 1.279 427 A HN 0.737 nan 8.150 nan 0.000 0.404 428 T N -0.990 113.551 114.554 -0.021 0.000 2.946 428 T HA 0.464 4.810 4.350 -0.008 0.000 0.295 428 T C 1.137 175.812 174.700 -0.042 0.000 1.143 428 T CA 0.481 62.568 62.100 -0.022 0.000 0.944 428 T CB 0.396 69.268 68.868 0.007 0.000 1.800 428 T HN 0.581 nan 8.240 nan 0.000 0.590 429 K N 0.315 120.698 120.400 -0.027 0.000 2.167 429 K HA 0.063 4.379 4.320 -0.008 0.000 0.203 429 K C 1.981 178.569 176.600 -0.020 0.000 1.052 429 K CA 1.928 58.195 56.287 -0.034 0.000 0.956 429 K CB -0.810 31.676 32.500 -0.023 0.000 0.735 429 K HN 0.835 nan 8.250 nan 0.000 0.451 430 T N -2.889 111.667 114.554 0.004 0.000 3.043 430 T HA 0.305 4.650 4.350 -0.008 0.000 0.272 430 T C -0.116 174.616 174.700 0.053 0.000 0.990 430 T CA -0.607 61.508 62.100 0.026 0.000 0.897 430 T CB 0.226 69.113 68.868 0.032 0.000 1.111 430 T HN 0.058 nan 8.240 nan 0.000 0.529 431 E N 0.077 120.311 120.200 0.056 0.000 2.343 431 E HA 0.391 4.737 4.350 -0.008 0.000 0.270 431 E C -1.820 174.868 176.600 0.147 0.000 0.895 431 E CA -0.984 55.480 56.400 0.107 0.000 0.767 431 E CB 1.721 31.482 29.700 0.102 0.000 1.248 431 E HN 0.189 nan 8.360 nan 0.000 0.440 432 W N 2.821 124.097 121.300 -0.040 0.000 2.329 432 W HA 0.269 4.925 4.660 -0.007 0.000 0.312 432 W C -0.543 175.914 176.519 -0.103 0.000 1.054 432 W CA -1.040 56.249 57.345 -0.092 0.000 1.245 432 W CB 0.624 30.014 29.460 -0.118 0.000 1.255 432 W HN 0.532 nan 8.180 nan 0.000 0.436 433 E N 2.840 123.156 120.200 0.193 0.000 2.313 433 E HA -0.022 4.323 4.350 -0.008 0.000 0.276 433 E C -0.460 176.120 176.600 -0.033 0.000 1.031 433 E CA -0.229 56.213 56.400 0.070 0.000 0.857 433 E CB 0.950 30.698 29.700 0.079 0.000 1.040 433 E HN 0.163 nan 8.360 nan 0.000 0.408 434 D N 2.210 122.639 120.400 0.049 0.000 2.358 434 D HA 0.056 4.691 4.640 -0.008 0.000 0.258 434 D C 0.585 176.933 176.300 0.080 0.000 1.223 434 D CA 0.004 54.070 54.000 0.110 0.000 0.886 434 D CB 1.150 42.139 40.800 0.314 0.000 1.120 434 D HN 0.495 nan 8.370 nan 0.000 0.482 435 A N 3.978 126.748 122.820 -0.084 0.000 2.024 435 A HA -0.205 4.110 4.320 -0.008 0.000 0.220 435 A C 1.390 178.910 177.584 -0.108 0.000 1.164 435 A CA 1.120 52.979 52.037 -0.298 0.000 0.643 435 A CB -0.620 17.847 19.000 -0.888 0.000 0.806 435 A HN 0.736 nan 8.150 nan 0.000 0.451 436 Y N -1.336 119.088 120.300 0.206 0.000 2.466 436 Y HA 0.195 4.741 4.550 -0.007 0.000 0.272 436 Y C 0.902 177.109 175.900 0.511 0.000 1.169 436 Y CA 0.410 58.723 58.100 0.356 0.000 1.285 436 Y CB 0.096 38.612 38.460 0.093 0.000 1.078 436 Y HN 0.363 nan 8.280 nan 0.000 0.523 437 R N -2.754 118.029 120.500 0.471 0.000 3.875 437 R HA -0.260 4.075 4.340 -0.008 0.000 0.321 437 R C 0.564 177.212 176.300 0.579 0.000 1.196 437 R CA 0.757 57.121 56.100 0.440 0.000 0.868 437 R CB -2.779 27.722 30.300 0.335 0.000 1.333 437 R HN 0.424 nan 8.270 nan 0.000 0.522 438 C N -1.131 118.511 119.300 0.569 0.000 2.469 438 C HA 0.249 4.704 4.460 -0.008 0.000 0.309 438 C C 0.906 176.101 174.990 0.343 0.000 1.385 438 C CA 0.261 59.600 59.018 0.534 0.000 1.890 438 C CB 0.671 28.733 27.740 0.537 0.000 2.245 438 C HN 0.266 nan 8.230 nan 0.000 0.530 439 V N 2.961 123.092 119.914 0.360 0.000 2.488 439 V HA 0.369 4.484 4.120 -0.008 0.000 0.293 439 V C -1.150 175.205 176.094 0.435 0.000 1.027 439 V CA -0.490 61.994 62.300 0.305 0.000 0.862 439 V CB 1.282 33.190 31.823 0.143 0.000 1.008 439 V HN 0.349 nan 8.190 nan 0.000 0.428 440 N N 2.282 121.158 118.700 0.295 0.000 2.408 440 N HA 0.756 5.492 4.740 -0.008 0.000 0.260 440 N C -0.018 175.624 175.510 0.221 0.000 1.242 440 N CA -0.190 52.992 53.050 0.220 0.000 0.959 440 N CB 1.696 40.280 38.487 0.160 0.000 1.201 440 N HN 0.865 nan 8.380 nan 0.000 0.511 441 A N -0.236 122.636 122.820 0.086 0.000 2.350 441 A HA 0.584 4.899 4.320 -0.008 0.000 0.324 441 A C -0.109 177.578 177.584 0.172 0.000 1.118 441 A CA -0.661 51.449 52.037 0.122 0.000 0.783 441 A CB 0.485 19.454 19.000 -0.052 0.000 1.236 441 A HN 0.626 nan 8.150 nan 0.000 0.457 442 S N 0.855 116.656 115.700 0.169 0.000 2.585 442 S HA 0.775 5.240 4.470 -0.008 0.000 0.277 442 S C 0.157 174.851 174.600 0.157 0.000 1.241 442 S CA 0.197 58.481 58.200 0.139 0.000 1.041 442 S CB 1.205 64.465 63.200 0.100 0.000 0.987 442 S HN 1.554 nan 8.310 nan 0.000 0.512 443 T N -1.983 112.652 114.554 0.134 0.000 2.887 443 T HA 0.872 5.217 4.350 -0.008 0.000 0.292 443 T C -0.727 174.042 174.700 0.115 0.000 1.087 443 T CA -0.760 61.433 62.100 0.155 0.000 1.009 443 T CB 1.432 70.394 68.868 0.156 0.000 1.203 443 T HN 1.590 nan 8.240 nan 0.000 0.518 444 A N 1.207 124.112 122.820 0.143 0.000 2.517 444 A HA 0.706 5.021 4.320 -0.008 0.000 0.297 444 A C -0.359 177.310 177.584 0.142 0.000 1.050 444 A CA -0.959 51.142 52.037 0.108 0.000 0.694 444 A CB 0.613 19.661 19.000 0.080 0.000 1.277 444 A HN 1.086 nan 8.150 nan 0.000 0.400 445 N N -1.216 117.536 118.700 0.086 0.000 2.727 445 N HA -0.158 4.577 4.740 -0.008 0.000 0.249 445 N C -0.106 175.444 175.510 0.068 0.000 1.048 445 N CA 1.349 54.444 53.050 0.076 0.000 0.714 445 N CB -1.448 37.099 38.487 0.101 0.000 0.959 445 N HN 1.525 nan 8.380 nan 0.000 0.544 446 A N -0.219 122.596 122.820 -0.008 0.000 2.312 446 A HA 0.644 4.959 4.320 -0.008 0.000 0.326 446 A C 0.076 177.518 177.584 -0.237 0.000 1.172 446 A CA -0.531 51.383 52.037 -0.205 0.000 0.821 446 A CB 1.236 20.066 19.000 -0.283 0.000 1.166 446 A HN 0.243 nan 8.150 nan 0.000 0.493 447 E N 1.727 121.736 120.200 -0.317 0.000 2.176 447 E HA 0.351 4.696 4.350 -0.008 0.000 0.267 447 E C -0.512 175.901 176.600 -0.311 0.000 0.893 447 E CA -0.662 55.591 56.400 -0.245 0.000 0.761 447 E CB 0.906 30.494 29.700 -0.186 0.000 1.133 447 E HN 0.688 nan 8.360 nan 0.000 0.409 448 R N 1.753 122.092 120.500 -0.268 0.000 2.543 448 R HA 0.266 4.601 4.340 -0.008 0.000 0.277 448 R C 0.093 176.254 176.300 -0.232 0.000 1.074 448 R CA -0.176 55.747 56.100 -0.294 0.000 1.076 448 R CB 0.778 30.922 30.300 -0.260 0.000 0.993 448 R HN 0.379 nan 8.270 nan 0.000 0.459 449 V N -0.433 119.343 119.914 -0.230 0.000 3.182 449 V HA 0.525 4.640 4.120 -0.008 0.000 0.308 449 V C -2.706 173.354 176.094 -0.057 0.000 1.240 449 V CA -2.970 59.256 62.300 -0.123 0.000 1.063 449 V CB 2.034 33.796 31.823 -0.102 0.000 1.076 449 V HN 0.526 nan 8.190 nan 0.000 0.446 450 P HA 0.288 nan 4.420 nan 0.000 0.261 450 P C -0.067 177.372 177.300 0.231 0.000 1.203 450 P CA 0.716 63.956 63.100 0.233 0.000 0.767 450 P CB -0.193 31.588 31.700 0.134 0.000 0.785 451 N N 1.319 120.275 118.700 0.425 0.000 2.800 451 N HA -0.154 4.581 4.740 -0.008 0.000 0.250 451 N C 0.543 176.175 175.510 0.203 0.000 1.078 451 N CA 1.793 54.996 53.050 0.255 0.000 0.804 451 N CB -1.370 37.224 38.487 0.179 0.000 1.135 451 N HN 0.676 nan 8.380 nan 0.000 0.565 452 G N -1.328 107.537 108.800 0.109 0.000 2.435 452 G HA2 0.625 4.580 3.960 -0.008 0.000 0.296 452 G HA3 0.625 4.580 3.960 -0.008 0.000 0.296 452 G C -1.742 172.944 174.900 -0.358 0.000 1.240 452 G CA -0.661 44.484 45.100 0.074 0.000 0.872 452 G HN 0.078 nan 8.290 nan 0.000 0.480 453 L N -0.074 120.812 121.223 -0.561 0.000 2.393 453 L HA 0.683 5.018 4.340 -0.008 0.000 0.260 453 L C -0.610 175.784 176.870 -0.792 0.000 1.002 453 L CA -0.919 53.390 54.840 -0.886 0.000 0.818 453 L CB 2.756 43.915 42.059 -1.500 0.000 1.369 453 L HN 0.606 nan 8.230 nan 0.000 0.412 454 K N 1.730 121.665 120.400 -0.775 0.000 2.376 454 K HA 0.658 4.974 4.320 -0.008 0.000 0.257 454 K C -1.740 174.549 176.600 -0.519 0.000 0.939 454 K CA -0.376 55.628 56.287 -0.471 0.000 0.809 454 K CB 1.249 33.617 32.500 -0.220 0.000 1.121 454 K HN 0.305 nan 8.250 nan 0.000 0.425 455 F N 1.841 121.785 119.950 -0.011 0.000 2.556 455 F HA 0.812 5.334 4.527 -0.008 0.000 0.327 455 F C 0.076 175.895 175.800 0.032 0.000 1.059 455 F CA -0.863 57.136 58.000 -0.003 0.000 0.953 455 F CB 2.298 41.302 39.000 0.007 0.000 1.227 455 F HN 0.586 nan 8.300 nan 0.000 0.478 456 A N 0.574 123.530 122.820 0.227 0.000 2.605 456 A HA 0.760 5.075 4.320 -0.008 0.000 0.294 456 A C -0.444 177.209 177.584 0.115 0.000 1.062 456 A CA -0.326 51.800 52.037 0.148 0.000 0.682 456 A CB 1.082 20.138 19.000 0.095 0.000 1.278 456 A HN 1.970 nan 8.150 nan 0.000 0.410 457 G N -0.711 108.146 108.800 0.095 0.000 2.731 457 G HA2 0.280 4.235 3.960 -0.008 0.000 0.686 457 G HA3 0.280 4.235 3.960 -0.008 0.000 0.686 457 G C -0.193 174.749 174.900 0.069 0.000 1.395 457 G CA -0.517 44.627 45.100 0.072 0.000 0.870 457 G HN 1.987 nan 8.290 nan 0.000 0.591 458 V N 2.021 121.969 119.914 0.057 0.000 2.621 458 V HA 0.304 4.420 4.120 -0.008 0.000 0.300 458 V C 2.044 178.172 176.094 0.056 0.000 1.031 458 V CA 2.320 64.653 62.300 0.055 0.000 1.210 458 V CB -0.004 31.843 31.823 0.041 0.000 0.864 458 V HN 2.845 nan 8.190 nan 0.000 0.477 459 G N 3.359 112.198 108.800 0.066 0.000 2.213 459 G HA2 -0.115 3.840 3.960 -0.008 0.000 0.226 459 G HA3 -0.115 3.840 3.960 -0.008 0.000 0.226 459 G C 0.533 175.472 174.900 0.065 0.000 0.992 459 G CA -0.104 45.034 45.100 0.062 0.000 0.632 459 G HN 1.394 nan 8.290 nan 0.000 0.511 460 G N -0.121 108.721 108.800 0.070 0.000 2.569 460 G HA2 0.767 4.722 3.960 -0.008 0.000 0.249 460 G HA3 0.767 4.722 3.960 -0.008 0.000 0.249 460 G C 0.625 175.500 174.900 -0.042 0.000 1.216 460 G CA 1.065 46.213 45.100 0.080 0.000 0.845 460 G HN 1.877 nan 8.290 nan 0.000 0.568 461 G N -1.381 107.331 108.800 -0.146 0.000 2.359 461 G HA2 0.565 4.520 3.960 -0.008 0.000 0.303 461 G HA3 0.565 4.520 3.960 -0.008 0.000 0.303 461 G C -0.711 174.065 174.900 -0.206 0.000 1.293 461 G CA -0.003 44.757 45.100 -0.567 0.000 0.964 461 G HN 1.909 nan 8.290 nan 0.000 0.531 462 A N -1.010 121.734 122.820 -0.127 0.000 2.423 462 A HA 0.954 5.269 4.320 -0.008 0.000 0.304 462 A C -0.920 176.791 177.584 0.213 0.000 1.104 462 A CA -0.410 51.732 52.037 0.174 0.000 0.757 462 A CB 1.979 21.236 19.000 0.428 0.000 1.313 462 A HN 2.030 nan 8.150 nan 0.000 0.423 463 L N 0.722 122.084 121.223 0.232 0.000 2.404 463 L HA 0.570 4.905 4.340 -0.008 0.000 0.272 463 L C -1.930 175.147 176.870 0.344 0.000 0.980 463 L CA -0.421 54.578 54.840 0.266 0.000 0.836 463 L CB 1.230 43.344 42.059 0.092 0.000 1.238 463 L HN 0.799 nan 8.230 nan 0.000 0.408 464 W N 8.842 130.291 121.300 0.248 0.000 2.282 464 W HA 0.460 5.116 4.660 -0.007 0.000 0.322 464 W C -2.306 174.342 176.519 0.214 0.000 1.011 464 W CA -2.774 54.722 57.345 0.252 0.000 1.392 464 W CB 0.884 30.545 29.460 0.335 0.000 1.215 464 W HN 0.305 nan 8.180 nan 0.000 0.394 465 P HA 0.088 nan 4.420 nan 0.000 0.271 465 P C -0.017 177.240 177.300 -0.072 0.000 1.218 465 P CA 0.281 63.439 63.100 0.097 0.000 0.780 465 P CB 2.390 34.123 31.700 0.055 0.000 0.901 466 V N 1.785 121.618 119.914 -0.135 0.000 4.535 466 V HA -0.025 4.090 4.120 -0.008 0.000 0.173 466 V C 2.459 178.446 176.094 -0.178 0.000 1.036 466 V CA 1.279 63.437 62.300 -0.238 0.000 1.412 466 V CB -1.140 30.438 31.823 -0.408 0.000 1.991 466 V HN 0.619 nan 8.190 nan 0.000 0.469 467 S N -0.162 115.449 115.700 -0.150 0.000 2.474 467 S HA -0.187 4.278 4.470 -0.008 0.000 0.235 467 S C 1.610 176.170 174.600 -0.067 0.000 0.997 467 S CA 1.207 59.348 58.200 -0.097 0.000 0.949 467 S CB -0.445 62.707 63.200 -0.080 0.000 0.766 467 S HN 0.558 nan 8.310 nan 0.000 0.517 468 Q N 0.797 120.565 119.800 -0.054 0.000 2.500 468 Q HA -0.031 4.304 4.340 -0.008 0.000 0.213 468 Q C 1.894 177.874 176.000 -0.033 0.000 0.974 468 Q CA 0.742 56.526 55.803 -0.032 0.000 0.918 468 Q CB -0.305 28.424 28.738 -0.015 0.000 0.980 468 Q HN 0.776 nan 8.270 nan 0.000 0.505 469 Q N -0.548 119.217 119.800 -0.059 0.000 2.291 469 Q HA -0.044 4.292 4.340 -0.008 0.000 0.205 469 Q C 1.028 177.019 176.000 -0.014 0.000 0.970 469 Q CA 0.699 56.473 55.803 -0.048 0.000 0.876 469 Q CB 0.183 28.857 28.738 -0.106 0.000 0.935 469 Q HN 0.478 nan 8.270 nan 0.000 0.455 470 G N 0.552 109.338 108.800 -0.023 0.000 2.662 470 G HA2 -0.413 3.542 3.960 -0.008 0.000 0.236 470 G HA3 -0.413 3.542 3.960 -0.008 0.000 0.236 470 G C 0.349 175.248 174.900 -0.002 0.000 1.212 470 G CA 0.224 45.321 45.100 -0.006 0.000 0.968 470 G HN 0.304 nan 8.290 nan 0.000 0.576 471 Q N 0.554 120.376 119.800 0.036 0.000 2.050 471 Q HA -0.029 4.306 4.340 -0.008 0.000 0.202 471 Q C 0.748 176.757 176.000 0.015 0.000 0.980 471 Q CA 1.793 57.625 55.803 0.048 0.000 0.840 471 Q CB -0.171 28.642 28.738 0.124 0.000 0.898 471 Q HN 0.578 nan 8.270 nan 0.000 0.424 472 N N 0.869 119.588 118.700 0.032 0.000 2.446 472 N HA 0.193 4.928 4.740 -0.008 0.000 0.265 472 N C -1.717 173.700 175.510 -0.154 0.000 0.975 472 N CA -0.207 52.793 53.050 -0.083 0.000 0.928 472 N CB 1.576 40.074 38.487 0.018 0.000 1.160 472 N HN 0.091 nan 8.380 nan 0.000 0.495 473 Q N 1.830 121.473 119.800 -0.262 0.000 2.462 473 Q HA 0.281 4.616 4.340 -0.008 0.000 0.247 473 Q C 0.368 176.195 176.000 -0.289 0.000 1.044 473 Q CA -0.379 55.284 55.803 -0.234 0.000 0.803 473 Q CB 1.547 30.188 28.738 -0.163 0.000 1.190 473 Q HN 0.455 nan 8.270 nan 0.000 0.507 474 R N 0.786 121.113 120.500 -0.288 0.000 2.189 474 R HA -0.053 4.282 4.340 -0.008 0.000 0.218 474 R C 0.485 176.805 176.300 0.032 0.000 1.074 474 R CA 1.105 57.082 56.100 -0.205 0.000 0.991 474 R CB 0.292 30.495 30.300 -0.162 0.000 0.883 474 R HN 0.599 nan 8.270 nan 0.000 0.457 475 Y N -1.112 119.023 120.300 -0.275 0.000 2.751 475 Y HA 0.079 4.624 4.550 -0.008 0.000 0.289 475 Y C 1.290 176.735 175.900 -0.759 0.000 1.110 475 Y CA -0.634 57.073 58.100 -0.655 0.000 1.251 475 Y CB 0.212 38.275 38.460 -0.662 0.000 1.178 475 Y HN 0.167 nan 8.280 nan 0.000 0.540 476 H N 0.611 119.490 119.070 -0.319 0.000 2.491 476 H HA -0.203 4.348 4.556 -0.009 0.000 0.290 476 H C 1.827 177.054 175.328 -0.169 0.000 1.050 476 H CA 1.834 57.736 56.048 -0.245 0.000 1.309 476 H CB -0.219 29.441 29.762 -0.170 0.000 1.392 476 H HN 0.528 nan 8.280 nan 0.000 0.554 477 F N -1.008 118.971 119.950 0.048 0.000 2.307 477 F HA -0.030 4.493 4.527 -0.007 0.000 0.301 477 F C 2.335 178.156 175.800 0.036 0.000 1.076 477 F CA 0.615 58.656 58.000 0.068 0.000 1.383 477 F CB -0.880 38.138 39.000 0.030 0.000 1.055 477 F HN 0.173 nan 8.300 nan 0.000 0.526 478 A N 0.999 123.497 122.820 -0.536 0.000 2.125 478 A HA -0.149 4.166 4.320 -0.008 0.000 0.219 478 A C 1.893 179.438 177.584 -0.065 0.000 1.156 478 A CA 1.395 53.310 52.037 -0.204 0.000 0.671 478 A CB -0.870 17.823 19.000 -0.511 0.000 0.794 478 A HN 0.542 nan 8.150 nan 0.000 0.459 479 N N -0.835 117.682 118.700 -0.305 0.000 2.515 479 N HA -0.053 4.682 4.740 -0.008 0.000 0.185 479 N C 0.834 176.076 175.510 -0.446 0.000 1.109 479 N CA 0.764 53.564 53.050 -0.416 0.000 0.903 479 N CB -0.108 37.971 38.487 -0.679 0.000 0.969 479 N HN 0.657 nan 8.380 nan 0.000 0.450 480 H N -0.649 118.423 119.070 0.005 0.000 2.594 480 H HA 0.464 5.016 4.556 -0.006 0.000 0.274 480 H C 0.316 175.686 175.328 0.070 0.000 0.982 480 H CA 0.367 56.439 56.048 0.039 0.000 1.228 480 H CB 1.258 31.047 29.762 0.045 0.000 1.447 480 H HN 0.051 nan 8.280 nan 0.000 0.485 481 A N 0.724 123.696 122.820 0.253 0.000 2.573 481 A HA 0.464 4.779 4.320 -0.008 0.000 0.299 481 A C -1.793 175.983 177.584 0.320 0.000 1.060 481 A CA -0.620 51.515 52.037 0.164 0.000 0.736 481 A CB 0.705 19.760 19.000 0.091 0.000 1.280 481 A HN 0.212 nan 8.150 nan 0.000 0.401 482 F N -1.054 118.957 119.950 0.103 0.000 2.719 482 F HA 0.858 5.380 4.527 -0.008 0.000 0.309 482 F C -0.853 174.965 175.800 0.029 0.000 1.138 482 F CA -0.618 57.449 58.000 0.111 0.000 0.943 482 F CB 1.248 40.335 39.000 0.145 0.000 1.304 482 F HN 0.430 nan 8.300 nan 0.000 0.445 483 T N 3.404 118.097 114.554 0.231 0.000 2.841 483 T HA 0.645 4.990 4.350 -0.008 0.000 0.285 483 T C -1.749 173.081 174.700 0.217 0.000 0.991 483 T CA -0.385 61.776 62.100 0.102 0.000 0.966 483 T CB 1.469 70.313 68.868 -0.041 0.000 0.962 483 T HN 0.772 nan 8.240 nan 0.000 0.438 484 L N 5.058 126.375 121.223 0.157 0.000 2.356 484 L HA 0.807 5.142 4.340 -0.008 0.000 0.277 484 L C -1.229 175.623 176.870 -0.030 0.000 0.996 484 L CA -0.494 54.351 54.840 0.007 0.000 0.822 484 L CB 1.430 43.421 42.059 -0.113 0.000 1.256 484 L HN 0.464 nan 8.230 nan 0.000 0.413 485 V N 3.918 123.816 119.914 -0.027 0.000 2.735 485 V HA 1.024 5.139 4.120 -0.008 0.000 0.310 485 V C -0.259 175.809 176.094 -0.044 0.000 1.061 485 V CA -0.161 62.102 62.300 -0.061 0.000 0.913 485 V CB 1.322 33.153 31.823 0.012 0.000 1.005 485 V HN 1.015 nan 8.190 nan 0.000 0.428 486 A N 2.506 125.270 122.820 -0.094 0.000 2.601 486 A HA 0.856 5.171 4.320 -0.008 0.000 0.291 486 A C -0.826 176.775 177.584 0.028 0.000 1.075 486 A CA -0.546 51.491 52.037 0.001 0.000 0.671 486 A CB 1.838 20.845 19.000 0.011 0.000 1.277 486 A HN 0.648 nan 8.150 nan 0.000 0.417 487 S N -0.362 115.423 115.700 0.142 0.000 2.509 487 S HA 0.765 5.230 4.470 -0.008 0.000 0.297 487 S C -0.295 174.389 174.600 0.141 0.000 1.118 487 S CA -0.097 58.214 58.200 0.185 0.000 1.074 487 S CB 1.388 64.722 63.200 0.223 0.000 1.038 487 S HN 1.921 nan 8.310 nan 0.000 0.498 488 V N 0.336 120.328 119.914 0.131 0.000 3.049 488 V HA 0.914 5.030 4.120 -0.008 0.000 0.309 488 V C -0.900 175.243 176.094 0.082 0.000 1.148 488 V CA -0.562 61.794 62.300 0.094 0.000 0.990 488 V CB 1.947 33.798 31.823 0.047 0.000 1.039 488 V HN 0.724 nan 8.190 nan 0.000 0.430 489 T N 4.251 118.795 114.554 -0.017 0.000 2.916 489 T HA 0.690 5.035 4.350 -0.008 0.000 0.298 489 T C -0.624 173.841 174.700 -0.391 0.000 1.031 489 T CA -0.210 61.816 62.100 -0.123 0.000 0.993 489 T CB 1.455 70.268 68.868 -0.090 0.000 1.045 489 T HN 0.744 nan 8.240 nan 0.000 0.454 490 I N 2.793 123.109 120.570 -0.424 0.000 2.412 490 I HA 0.366 4.531 4.170 -0.008 0.000 0.296 490 I C 0.777 176.645 176.117 -0.416 0.000 0.987 490 I CA -0.815 60.168 61.300 -0.527 0.000 1.180 490 I CB 1.400 38.986 38.000 -0.690 0.000 1.340 490 I HN 0.775 nan 8.210 nan 0.000 0.455 491 H N 3.525 122.623 119.070 0.046 0.000 2.885 491 H HA 0.367 4.918 4.556 -0.008 0.000 0.260 491 H C -0.284 175.123 175.328 0.131 0.000 0.985 491 H CA 0.236 56.340 56.048 0.092 0.000 1.210 491 H CB 0.928 30.730 29.762 0.067 0.000 1.466 491 H HN 0.541 nan 8.280 nan 0.000 0.493 492 E N 1.225 121.572 120.200 0.245 0.000 2.308 492 E HA 0.286 4.632 4.350 -0.008 0.000 0.275 492 E C -0.783 175.979 176.600 0.270 0.000 0.890 492 E CA -0.654 55.882 56.400 0.227 0.000 0.754 492 E CB 3.712 33.520 29.700 0.179 0.000 1.207 492 E HN -0.167 nan 8.360 nan 0.000 0.426 493 V N 4.765 124.821 119.914 0.236 0.000 2.529 493 V HA 0.093 4.208 4.120 -0.008 0.000 0.292 493 V C -1.382 174.776 176.094 0.107 0.000 1.028 493 V CA -0.697 61.716 62.300 0.188 0.000 1.074 493 V CB -0.119 31.714 31.823 0.017 0.000 0.958 493 V HN 0.585 nan 8.190 nan 0.000 0.481 494 P HA 0.337 nan 4.420 nan 0.000 0.279 494 P C 0.137 177.412 177.300 -0.041 0.000 1.276 494 P CA -0.621 62.464 63.100 -0.024 0.000 0.801 494 P CB 1.596 33.184 31.700 -0.187 0.000 1.127 495 K N -0.423 119.952 120.400 -0.041 0.000 2.166 495 K HA 0.117 4.433 4.320 -0.008 0.000 0.201 495 K C 1.562 178.135 176.600 -0.046 0.000 1.052 495 K CA 1.258 57.525 56.287 -0.033 0.000 0.969 495 K CB -0.185 32.304 32.500 -0.017 0.000 0.761 495 K HN 0.608 nan 8.250 nan 0.000 0.459 496 G N 0.462 109.224 108.800 -0.064 0.000 3.069 496 G HA2 0.558 4.513 3.960 -0.008 0.000 0.205 496 G HA3 0.558 4.513 3.960 -0.008 0.000 0.205 496 G C -1.274 173.566 174.900 -0.101 0.000 1.771 496 G CA -0.010 45.052 45.100 -0.062 0.000 0.739 496 G HN 0.225 nan 8.290 nan 0.000 0.784 497 A N -0.466 122.294 122.820 -0.101 0.000 2.355 497 A HA 0.798 5.113 4.320 -0.008 0.000 0.317 497 A C -0.600 176.873 177.584 -0.185 0.000 1.094 497 A CA -0.290 51.661 52.037 -0.143 0.000 0.764 497 A CB 1.658 20.626 19.000 -0.054 0.000 1.230 497 A HN 0.633 nan 8.150 nan 0.000 0.448 498 S N 2.190 117.662 115.700 -0.380 0.000 2.568 498 S HA 0.785 5.251 4.470 -0.008 0.000 0.293 498 S C -2.970 171.556 174.600 -0.123 0.000 1.089 498 S CA -1.159 56.856 58.200 -0.308 0.000 0.945 498 S CB 1.937 64.892 63.200 -0.407 0.000 1.077 498 S HN 0.572 nan 8.310 nan 0.000 0.485 499 P HA 0.385 nan 4.420 nan 0.000 0.278 499 P C -0.025 177.347 177.300 0.120 0.000 1.238 499 P CA -0.412 62.657 63.100 -0.052 0.000 0.794 499 P CB 0.835 32.195 31.700 -0.567 0.000 0.955 500 L N 1.491 122.801 121.223 0.145 0.000 2.663 500 L HA 0.413 4.748 4.340 -0.008 0.000 0.218 500 L C -0.095 176.765 176.870 -0.017 0.000 1.043 500 L CA 0.217 55.093 54.840 0.061 0.000 0.876 500 L CB 0.515 42.596 42.059 0.036 0.000 1.263 500 L HN 0.258 nan 8.230 nan 0.000 0.486 501 L N -0.813 120.360 121.223 -0.082 0.000 2.643 501 L HA 0.710 5.045 4.340 -0.008 0.000 0.256 501 L C -1.095 175.471 176.870 -0.508 0.000 0.931 501 L CA 0.162 54.833 54.840 -0.282 0.000 0.895 501 L CB 1.967 43.926 42.059 -0.166 0.000 1.430 501 L HN 0.038 nan 8.230 nan 0.000 0.419 502 G N 1.923 110.174 108.800 -0.915 0.000 2.349 502 G HA2 0.712 4.667 3.960 -0.008 0.000 0.294 502 G HA3 0.712 4.667 3.960 -0.008 0.000 0.294 502 G C -2.133 172.539 174.900 -0.381 0.000 1.380 502 G CA -0.150 44.555 45.100 -0.659 0.000 0.811 502 G HN 1.007 nan 8.290 nan 0.000 0.519 503 A N -0.180 122.654 122.820 0.023 0.000 2.318 503 A HA 0.839 5.154 4.320 -0.008 0.000 0.317 503 A C 0.020 177.645 177.584 0.069 0.000 1.159 503 A CA 0.020 52.095 52.037 0.064 0.000 0.799 503 A CB 1.497 20.540 19.000 0.072 0.000 1.194 503 A HN 1.659 nan 8.150 nan 0.000 0.479 504 S N 1.962 117.612 115.700 -0.083 0.000 2.475 504 S HA 0.548 5.013 4.470 -0.008 0.000 0.298 504 S C 0.719 175.207 174.600 -0.186 0.000 1.119 504 S CA -0.672 57.451 58.200 -0.129 0.000 1.085 504 S CB 0.612 63.621 63.200 -0.319 0.000 1.028 504 S HN 0.598 nan 8.310 nan 0.000 0.489 505 L N 2.538 123.701 121.223 -0.100 0.000 2.307 505 L HA 0.208 4.544 4.340 -0.008 0.000 0.211 505 L C 0.939 177.771 176.870 -0.063 0.000 1.099 505 L CA 0.345 55.134 54.840 -0.086 0.000 0.816 505 L CB -0.114 41.912 42.059 -0.055 0.000 0.952 505 L HN 0.709 nan 8.230 nan 0.000 0.455 506 D N -1.995 118.378 120.400 -0.046 0.000 2.650 506 D HA 0.073 4.708 4.640 -0.008 0.000 0.255 506 D C 0.787 177.118 176.300 0.053 0.000 1.135 506 D CA 0.173 54.165 54.000 -0.014 0.000 1.099 506 D CB 1.093 41.875 40.800 -0.029 0.000 1.273 506 D HN -0.106 nan 8.370 nan 0.000 0.628 507 S N -1.383 114.350 115.700 0.054 0.000 2.524 507 S HA -0.032 4.434 4.470 -0.008 0.000 0.216 507 S C 1.698 176.345 174.600 0.078 0.000 0.987 507 S CA 0.812 59.075 58.200 0.104 0.000 0.909 507 S CB -0.548 62.664 63.200 0.020 0.000 0.781 507 S HN 0.529 nan 8.310 nan 0.000 0.521 508 S N 0.946 116.643 115.700 -0.004 0.000 2.421 508 S HA 0.447 4.913 4.470 -0.008 0.000 0.224 508 S C 1.771 176.276 174.600 -0.160 0.000 1.035 508 S CA 0.744 58.887 58.200 -0.096 0.000 0.953 508 S CB -0.710 62.399 63.200 -0.152 0.000 0.810 508 S HN 1.478 nan 8.310 nan 0.000 0.497 509 G N 0.023 108.745 108.800 -0.130 0.000 2.168 509 G HA2 -0.099 3.856 3.960 -0.008 0.000 0.197 509 G HA3 -0.099 3.856 3.960 -0.008 0.000 0.197 509 G C 0.841 175.574 174.900 -0.278 0.000 0.997 509 G CA 0.136 45.104 45.100 -0.220 0.000 0.658 509 G HN 0.955 nan 8.290 nan 0.000 0.513 510 G N -0.112 108.544 108.800 -0.242 0.000 2.464 510 G HA2 0.192 4.148 3.960 -0.008 0.000 0.217 510 G HA3 0.192 4.148 3.960 -0.008 0.000 0.217 510 G C 0.776 175.621 174.900 -0.091 0.000 1.138 510 G CA 0.745 45.735 45.100 -0.184 0.000 0.793 510 G HN 0.373 nan 8.290 nan 0.000 0.539 511 K N 1.766 122.124 120.400 -0.070 0.000 2.300 511 K HA 0.342 4.657 4.320 -0.008 0.000 0.264 511 K C -0.420 176.170 176.600 -0.017 0.000 1.083 511 K CA -0.122 56.143 56.287 -0.037 0.000 0.958 511 K CB 1.492 33.970 32.500 -0.036 0.000 1.318 511 K HN 0.196 nan 8.250 nan 0.000 0.448 512 K N 1.602 122.011 120.400 0.014 0.000 2.098 512 K HA 0.231 4.547 4.320 -0.008 0.000 0.261 512 K C 1.030 177.661 176.600 0.052 0.000 0.987 512 K CA -0.549 55.773 56.287 0.058 0.000 0.916 512 K CB 1.306 33.871 32.500 0.108 0.000 1.039 512 K HN 0.189 nan 8.250 nan 0.000 0.455 513 L N 2.096 123.359 121.223 0.068 0.000 2.269 513 L HA 0.343 4.678 4.340 -0.008 0.000 0.200 513 L C -0.680 176.255 176.870 0.107 0.000 1.069 513 L CA 0.943 55.827 54.840 0.074 0.000 0.804 513 L CB 0.474 42.573 42.059 0.065 0.000 0.987 513 L HN 0.528 nan 8.230 nan 0.000 0.468 514 L N -0.426 120.873 121.223 0.127 0.000 2.611 514 L HA 0.744 5.079 4.340 -0.008 0.000 0.260 514 L C -0.706 176.211 176.870 0.079 0.000 0.924 514 L CA 0.476 55.376 54.840 0.100 0.000 0.901 514 L CB 1.485 43.640 42.059 0.160 0.000 1.369 514 L HN 0.155 nan 8.230 nan 0.000 0.415 515 G N 2.752 111.551 108.800 -0.002 0.000 2.548 515 G HA2 0.612 4.567 3.960 -0.008 0.000 0.301 515 G HA3 0.612 4.567 3.960 -0.008 0.000 0.301 515 G C -2.654 172.215 174.900 -0.052 0.000 1.349 515 G CA -0.562 44.541 45.100 0.006 0.000 0.792 515 G HN 0.814 nan 8.290 nan 0.000 0.481 516 L N 0.238 121.456 121.223 -0.008 0.000 2.436 516 L HA 0.856 5.191 4.340 -0.008 0.000 0.268 516 L C -0.276 176.665 176.870 0.119 0.000 0.974 516 L CA -0.218 54.622 54.840 0.000 0.000 0.826 516 L CB 1.975 43.982 42.059 -0.086 0.000 1.291 516 L HN 0.691 nan 8.230 nan 0.000 0.406 517 S N 2.399 118.208 115.700 0.183 0.000 2.811 517 S HA 0.810 5.275 4.470 -0.008 0.000 0.311 517 S C -1.515 173.332 174.600 0.412 0.000 1.152 517 S CA -0.411 57.951 58.200 0.270 0.000 0.864 517 S CB 1.722 65.001 63.200 0.131 0.000 1.226 517 S HN 0.631 nan 8.310 nan 0.000 0.541 518 Y N -0.384 119.966 120.300 0.084 0.000 2.562 518 Y HA 0.815 5.360 4.550 -0.008 0.000 0.345 518 Y C -1.371 174.594 175.900 0.108 0.000 1.045 518 Y CA -1.168 56.972 58.100 0.066 0.000 1.028 518 Y CB 1.117 39.413 38.460 -0.273 0.000 1.297 518 Y HN 0.718 nan 8.280 nan 0.000 0.463 519 D N -0.006 120.488 120.400 0.157 0.000 2.636 519 D HA 0.196 4.831 4.640 -0.008 0.000 0.275 519 D C 0.236 176.526 176.300 -0.017 0.000 1.130 519 D CA -1.038 52.957 54.000 -0.008 0.000 1.031 519 D CB 1.341 42.137 40.800 -0.008 0.000 1.451 519 D HN 0.720 nan 8.370 nan 0.000 0.505 520 K N -0.412 119.936 120.400 -0.087 0.000 2.442 520 K HA -0.080 4.235 4.320 -0.008 0.000 0.198 520 K C 0.634 177.110 176.600 -0.206 0.000 1.044 520 K CA 0.759 56.962 56.287 -0.139 0.000 0.948 520 K CB -0.078 32.370 32.500 -0.087 0.000 0.762 520 K HN 0.308 nan 8.250 nan 0.000 0.472 521 R N 0.034 120.433 120.500 -0.169 0.000 2.507 521 R HA 0.116 4.451 4.340 -0.008 0.000 0.298 521 R C -0.651 175.536 176.300 -0.188 0.000 0.999 521 R CA -0.092 55.929 56.100 -0.132 0.000 1.082 521 R CB -0.170 30.090 30.300 -0.066 0.000 1.246 521 R HN 0.392 nan 8.270 nan 0.000 0.553 522 H N -0.360 118.436 119.070 -0.457 0.000 2.903 522 H HA -0.169 4.382 4.556 -0.008 0.000 0.285 522 H C -0.477 174.320 175.328 -0.886 0.000 1.231 522 H CA 0.781 56.179 56.048 -1.084 0.000 1.135 522 H CB -1.126 28.047 29.762 -0.982 0.000 1.328 522 H HN 0.324 nan 8.280 nan 0.000 0.388 523 Q N -0.714 118.948 119.800 -0.230 0.000 2.297 523 Q HA 0.372 4.708 4.340 -0.008 0.000 0.269 523 Q C -0.248 175.850 176.000 0.164 0.000 1.051 523 Q CA -0.918 54.859 55.803 -0.044 0.000 0.869 523 Q CB 1.666 30.420 28.738 0.026 0.000 1.346 523 Q HN 0.265 nan 8.270 nan 0.000 0.457 524 W N 0.847 122.313 121.300 0.275 0.000 2.381 524 W HA 0.322 4.978 4.660 -0.007 0.000 0.329 524 W C 0.055 176.636 176.519 0.105 0.000 1.157 524 W CA -0.424 57.033 57.345 0.187 0.000 1.240 524 W CB 0.947 30.454 29.460 0.078 0.000 1.199 524 W HN 0.296 nan 8.180 nan 0.000 0.579 525 Q N 3.522 123.520 119.800 0.330 0.000 2.508 525 Q HA 0.261 4.596 4.340 -0.008 0.000 0.247 525 Q C -2.298 173.753 176.000 0.084 0.000 1.047 525 Q CA -1.931 53.973 55.803 0.169 0.000 0.783 525 Q CB 1.463 30.272 28.738 0.119 0.000 1.172 525 Q HN -0.010 nan 8.270 nan 0.000 0.515 526 P HA 0.303 nan 4.420 nan 0.000 0.281 526 P C -0.641 176.449 177.300 -0.350 0.000 1.249 526 P CA -0.245 62.728 63.100 -0.212 0.000 0.810 526 P CB 1.156 32.694 31.700 -0.270 0.000 1.008 527 I N 2.271 122.562 120.570 -0.465 0.000 2.447 527 I HA 0.303 4.468 4.170 -0.008 0.000 0.287 527 I C -0.750 175.115 176.117 -0.420 0.000 1.023 527 I CA -0.674 60.428 61.300 -0.328 0.000 1.083 527 I CB 1.413 39.361 38.000 -0.086 0.000 1.245 527 I HN 0.269 nan 8.210 nan 0.000 0.434 528 Y N 5.107 125.426 120.300 0.031 0.000 2.593 528 Y HA 0.543 5.088 4.550 -0.008 0.000 0.331 528 Y C 1.227 177.139 175.900 0.021 0.000 0.986 528 Y CA -0.226 57.885 58.100 0.019 0.000 1.262 528 Y CB 1.200 39.660 38.460 0.000 0.000 1.098 528 Y HN 0.890 nan 8.280 nan 0.000 0.506 529 G N 1.436 110.314 108.800 0.131 0.000 2.651 529 G HA2 -0.377 3.578 3.960 -0.008 0.000 0.315 529 G HA3 -0.377 3.578 3.960 -0.008 0.000 0.315 529 G C 1.194 176.134 174.900 0.067 0.000 1.258 529 G CA 0.743 45.895 45.100 0.086 0.000 1.002 529 G HN 0.493 nan 8.290 nan 0.000 0.551 530 S N 0.787 116.521 115.700 0.056 0.000 2.556 530 S HA 0.313 4.778 4.470 -0.008 0.000 0.216 530 S C 1.151 175.780 174.600 0.049 0.000 0.970 530 S CA 1.039 59.263 58.200 0.041 0.000 0.912 530 S CB -0.053 63.162 63.200 0.025 0.000 0.790 530 S HN 0.808 nan 8.310 nan 0.000 0.504 531 T N 4.608 119.205 114.554 0.072 0.000 2.939 531 T HA 0.119 4.464 4.350 -0.008 0.000 0.319 531 T C -2.377 172.368 174.700 0.075 0.000 1.082 531 T CA -0.450 61.696 62.100 0.077 0.000 1.133 531 T CB 0.155 69.091 68.868 0.114 0.000 1.019 531 T HN 0.119 nan 8.240 nan 0.000 0.548 532 P HA 0.194 nan 4.420 nan 0.000 0.268 532 P C -0.863 176.480 177.300 0.071 0.000 1.205 532 P CA -0.372 62.760 63.100 0.052 0.000 0.771 532 P CB 0.355 32.078 31.700 0.039 0.000 0.858 533 V N 3.641 123.591 119.914 0.060 0.000 2.432 533 V HA 0.186 4.301 4.120 -0.008 0.000 0.271 533 V C 0.426 176.561 176.094 0.067 0.000 1.046 533 V CA 0.207 62.546 62.300 0.066 0.000 0.945 533 V CB 0.779 32.630 31.823 0.047 0.000 0.992 533 V HN 0.538 nan 8.190 nan 0.000 0.471 534 T N 7.712 122.319 114.554 0.087 0.000 2.788 534 T HA 0.394 4.739 4.350 -0.008 0.000 0.296 534 T C -2.420 172.334 174.700 0.091 0.000 1.009 534 T CA -1.057 61.091 62.100 0.080 0.000 0.949 534 T CB 1.375 70.292 68.868 0.081 0.000 0.946 534 T HN 0.437 nan 8.240 nan 0.000 0.453 535 P HA 0.398 nan 4.420 nan 0.000 0.269 535 P C -0.157 177.207 177.300 0.107 0.000 1.215 535 P CA -0.103 63.057 63.100 0.100 0.000 0.780 535 P CB 0.660 32.404 31.700 0.074 0.000 0.898 536 T N 0.037 114.680 114.554 0.148 0.000 2.802 536 T HA 0.573 4.918 4.350 -0.008 0.000 0.311 536 T C -0.244 174.580 174.700 0.207 0.000 1.405 536 T CA 0.454 62.642 62.100 0.147 0.000 1.016 536 T CB 0.577 69.528 68.868 0.138 0.000 1.352 536 T HN 0.747 nan 8.240 nan 0.000 0.498 537 G N 1.878 110.781 108.800 0.172 0.000 2.682 537 G HA2 0.147 4.102 3.960 -0.008 0.000 0.256 537 G HA3 0.147 4.102 3.960 -0.008 0.000 0.256 537 G C -0.141 174.833 174.900 0.124 0.000 1.333 537 G CA 0.413 45.638 45.100 0.208 0.000 0.904 537 G HN 2.100 nan 8.290 nan 0.000 0.569 538 S N -0.721 115.049 115.700 0.117 0.000 2.596 538 S HA 0.846 5.311 4.470 -0.008 0.000 0.270 538 S C -0.833 173.767 174.600 -0.001 0.000 1.155 538 S CA 0.100 58.257 58.200 -0.073 0.000 0.827 538 S CB 2.215 65.356 63.200 -0.099 0.000 1.130 538 S HN 2.286 nan 8.310 nan 0.000 0.467 539 W N 0.591 121.767 121.300 -0.208 0.000 3.167 539 W HA 0.696 5.351 4.660 -0.008 0.000 0.324 539 W C -1.375 175.185 176.519 0.069 0.000 1.230 539 W CA -0.718 56.569 57.345 -0.097 0.000 1.184 539 W CB 0.739 29.867 29.460 -0.553 0.000 1.414 539 W HN 0.983 nan 8.180 nan 0.000 0.551 540 E N 2.119 122.633 120.200 0.524 0.000 2.195 540 E HA 0.497 4.843 4.350 -0.008 0.000 0.271 540 E C -0.247 176.676 176.600 0.539 0.000 0.923 540 E CA -1.080 55.518 56.400 0.330 0.000 0.790 540 E CB 2.445 32.227 29.700 0.135 0.000 1.155 540 E HN 0.342 nan 8.360 nan 0.000 0.402 541 M N 1.498 121.383 119.600 0.474 0.000 2.249 541 M HA 0.094 4.569 4.480 -0.008 0.000 0.340 541 M C 1.051 177.491 176.300 0.232 0.000 1.166 541 M CA 1.878 57.421 55.300 0.405 0.000 1.115 541 M CB 0.329 33.137 32.600 0.348 0.000 1.606 541 M HN 1.107 nan 8.290 nan 0.000 0.448 542 G N 2.370 111.269 108.800 0.164 0.000 2.199 542 G HA2 -0.267 3.688 3.960 -0.008 0.000 0.254 542 G HA3 -0.267 3.688 3.960 -0.008 0.000 0.254 542 G C 0.069 175.007 174.900 0.064 0.000 0.982 542 G CA 0.326 45.502 45.100 0.127 0.000 0.632 542 G HN 0.636 nan 8.290 nan 0.000 0.529 543 K N 0.871 121.296 120.400 0.043 0.000 2.183 543 K HA 0.505 4.821 4.320 -0.008 0.000 0.274 543 K C 0.700 177.140 176.600 -0.266 0.000 1.009 543 K CA -0.956 55.260 56.287 -0.118 0.000 0.888 543 K CB 0.530 32.934 32.500 -0.159 0.000 1.078 543 K HN 0.170 nan 8.250 nan 0.000 0.459 544 R N 4.196 124.556 120.500 -0.233 0.000 2.389 544 R HA 0.115 4.450 4.340 -0.008 0.000 0.295 544 R C -1.358 174.800 176.300 -0.236 0.000 1.075 544 R CA 0.239 56.258 56.100 -0.135 0.000 1.005 544 R CB 0.282 30.570 30.300 -0.019 0.000 0.987 544 R HN 0.604 nan 8.270 nan 0.000 0.452 545 Y N 1.417 121.802 120.300 0.142 0.000 2.536 545 Y HA 0.243 4.788 4.550 -0.008 0.000 0.347 545 Y C -0.252 175.734 175.900 0.144 0.000 1.000 545 Y CA -0.965 57.228 58.100 0.156 0.000 1.051 545 Y CB 1.696 40.257 38.460 0.167 0.000 1.259 545 Y HN 0.653 nan 8.280 nan 0.000 0.468 546 H N 1.156 120.344 119.070 0.197 0.000 2.488 546 H HA 0.704 5.255 4.556 -0.008 0.000 0.322 546 H C -1.551 173.759 175.328 -0.031 0.000 1.078 546 H CA -0.598 55.508 56.048 0.096 0.000 1.260 546 H CB 0.910 30.770 29.762 0.163 0.000 1.425 546 H HN 0.410 nan 8.280 nan 0.000 0.471 547 V N 6.356 125.996 119.914 -0.456 0.000 2.540 547 V HA 0.447 4.563 4.120 -0.008 0.000 0.302 547 V C -0.790 175.074 176.094 -0.383 0.000 1.035 547 V CA -0.773 61.300 62.300 -0.379 0.000 0.873 547 V CB 1.781 33.439 31.823 -0.275 0.000 0.992 547 V HN 0.620 nan 8.190 nan 0.000 0.428 548 V N 5.786 125.561 119.914 -0.231 0.000 2.760 548 V HA 0.559 4.675 4.120 -0.008 0.000 0.309 548 V C -0.702 175.390 176.094 -0.003 0.000 1.077 548 V CA -0.566 61.652 62.300 -0.136 0.000 0.910 548 V CB 2.076 33.791 31.823 -0.181 0.000 1.008 548 V HN 0.668 nan 8.190 nan 0.000 0.424 549 L N 4.332 125.551 121.223 -0.006 0.000 2.349 549 L HA 0.779 5.114 4.340 -0.008 0.000 0.278 549 L C 0.099 176.945 176.870 -0.039 0.000 0.996 549 L CA -0.357 54.499 54.840 0.027 0.000 0.825 549 L CB 2.122 44.227 42.059 0.076 0.000 1.243 549 L HN 0.825 nan 8.230 nan 0.000 0.412 550 T N 0.544 115.047 114.554 -0.085 0.000 2.908 550 T HA 0.759 5.104 4.350 -0.008 0.000 0.290 550 T C -0.507 173.961 174.700 -0.385 0.000 1.034 550 T CA -0.770 61.172 62.100 -0.264 0.000 1.010 550 T CB 2.609 71.404 68.868 -0.122 0.000 1.068 550 T HN 0.452 nan 8.240 nan 0.000 0.481 551 M N 2.127 121.361 119.600 -0.610 0.000 2.238 551 M HA 0.667 5.142 4.480 -0.008 0.000 0.278 551 M C -1.998 174.124 176.300 -0.297 0.000 1.040 551 M CA -0.374 54.644 55.300 -0.470 0.000 0.969 551 M CB 1.351 33.543 32.600 -0.682 0.000 1.694 551 M HN 1.250 nan 8.290 nan 0.000 0.472 552 A N 3.998 126.731 122.820 -0.146 0.000 2.589 552 A HA 0.649 4.964 4.320 -0.008 0.000 0.296 552 A C -0.135 177.426 177.584 -0.038 0.000 1.062 552 A CA -0.451 51.544 52.037 -0.071 0.000 0.686 552 A CB 1.043 20.003 19.000 -0.066 0.000 1.282 552 A HN 0.913 nan 8.150 nan 0.000 0.404 553 N N 0.912 119.608 118.700 -0.007 0.000 2.708 553 N HA -0.196 4.539 4.740 -0.008 0.000 0.249 553 N C -0.054 175.451 175.510 -0.009 0.000 1.097 553 N CA 1.496 54.545 53.050 -0.001 0.000 0.710 553 N CB -1.010 37.471 38.487 -0.010 0.000 1.032 553 N HN 0.917 nan 8.380 nan 0.000 0.551 554 K N -2.197 118.197 120.400 -0.009 0.000 3.341 554 K HA -0.188 4.128 4.320 -0.008 0.000 0.305 554 K C -0.220 176.368 176.600 -0.021 0.000 1.270 554 K CA 1.126 57.406 56.287 -0.012 0.000 0.897 554 K CB -1.152 31.345 32.500 -0.005 0.000 1.264 554 K HN 0.474 nan 8.250 nan 0.000 0.468 555 I N 0.339 120.888 120.570 -0.036 0.000 2.465 555 I HA 0.409 4.574 4.170 -0.008 0.000 0.291 555 I C 0.665 176.751 176.117 -0.053 0.000 1.014 555 I CA -0.702 60.570 61.300 -0.046 0.000 1.093 555 I CB 2.034 40.001 38.000 -0.055 0.000 1.267 555 I HN 0.118 nan 8.210 nan 0.000 0.431 556 G N 3.206 111.992 108.800 -0.022 0.000 2.448 556 G HA2 0.735 4.690 3.960 -0.008 0.000 0.324 556 G HA3 0.735 4.690 3.960 -0.008 0.000 0.324 556 G C -1.191 173.740 174.900 0.052 0.000 1.203 556 G CA -0.332 44.778 45.100 0.017 0.000 0.954 556 G HN 0.508 nan 8.290 nan 0.000 0.480 557 S N -1.167 114.563 115.700 0.050 0.000 2.595 557 S HA 0.747 5.212 4.470 -0.008 0.000 0.281 557 S C -0.902 173.714 174.600 0.026 0.000 1.117 557 S CA -0.548 57.665 58.200 0.022 0.000 0.873 557 S CB 2.203 65.378 63.200 -0.041 0.000 1.108 557 S HN 0.611 nan 8.310 nan 0.000 0.477 558 V N 2.481 122.332 119.914 -0.103 0.000 2.623 558 V HA 0.487 4.602 4.120 -0.008 0.000 0.304 558 V C -1.856 174.064 176.094 -0.291 0.000 1.054 558 V CA -0.663 61.568 62.300 -0.115 0.000 0.882 558 V CB 1.168 32.919 31.823 -0.119 0.000 1.002 558 V HN 0.861 nan 8.190 nan 0.000 0.424 559 Y N 4.392 124.588 120.300 -0.174 0.000 2.393 559 Y HA 0.690 5.235 4.550 -0.008 0.000 0.341 559 Y C -0.078 175.652 175.900 -0.283 0.000 0.988 559 Y CA -1.248 56.735 58.100 -0.194 0.000 1.078 559 Y CB 1.778 40.142 38.460 -0.160 0.000 1.203 559 Y HN 0.340 nan 8.280 nan 0.000 0.453 560 I N 3.067 123.540 120.570 -0.161 0.000 2.433 560 I HA 0.198 4.363 4.170 -0.008 0.000 0.292 560 I C -0.225 175.785 176.117 -0.177 0.000 1.001 560 I CA -1.022 60.132 61.300 -0.243 0.000 1.119 560 I CB 1.450 39.232 38.000 -0.365 0.000 1.289 560 I HN 0.730 nan 8.210 nan 0.000 0.438 561 D N 5.149 125.425 120.400 -0.207 0.000 2.792 561 D HA -0.209 4.427 4.640 -0.008 0.000 0.231 561 D C 1.249 176.943 176.300 -1.010 0.000 1.160 561 D CA 1.637 55.234 54.000 -0.671 0.000 0.697 561 D CB -0.988 39.612 40.800 -0.333 0.000 1.070 561 D HN 1.133 nan 8.370 nan 0.000 0.426 562 G N -1.347 107.172 108.800 -0.468 0.000 2.175 562 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.244 562 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.244 562 G C -0.098 174.820 174.900 0.030 0.000 0.982 562 G CA 0.298 45.262 45.100 -0.227 0.000 0.641 562 G HN 0.398 nan 8.290 nan 0.000 0.527 563 E N 1.038 121.256 120.200 0.031 0.000 2.222 563 E HA 0.453 4.798 4.350 -0.008 0.000 0.267 563 E C -2.767 173.817 176.600 -0.027 0.000 0.884 563 E CA -1.982 54.461 56.400 0.071 0.000 0.764 563 E CB 2.664 32.367 29.700 0.005 0.000 1.169 563 E HN 0.180 nan 8.360 nan 0.000 0.413 564 P HA 0.189 nan 4.420 nan 0.000 0.276 564 P C -0.178 176.977 177.300 -0.242 0.000 1.230 564 P CA -0.134 62.679 63.100 -0.478 0.000 0.776 564 P CB 0.726 32.115 31.700 -0.518 0.000 0.888 565 L N 1.331 122.422 121.223 -0.220 0.000 2.421 565 L HA 0.324 4.659 4.340 -0.008 0.000 0.263 565 L C 1.290 178.130 176.870 -0.049 0.000 1.122 565 L CA -0.909 53.874 54.840 -0.095 0.000 0.804 565 L CB 0.153 42.170 42.059 -0.071 0.000 1.150 565 L HN 0.427 nan 8.230 nan 0.000 0.457 566 E N 0.761 120.960 120.200 -0.002 0.000 2.604 566 E HA -0.050 4.295 4.350 -0.008 0.000 0.267 566 E C 1.044 177.671 176.600 0.045 0.000 0.970 566 E CA 1.051 57.458 56.400 0.012 0.000 0.956 566 E CB 0.214 29.939 29.700 0.041 0.000 0.939 566 E HN 0.789 nan 8.360 nan 0.000 0.465 567 G N 2.832 111.611 108.800 -0.035 0.000 2.205 567 G HA2 -0.302 3.654 3.960 -0.008 0.000 0.261 567 G HA3 -0.302 3.654 3.960 -0.008 0.000 0.261 567 G C 0.323 174.926 174.900 -0.496 0.000 0.980 567 G CA 0.287 45.299 45.100 -0.147 0.000 0.632 567 G HN 0.595 nan 8.290 nan 0.000 0.533 568 S N 0.226 115.773 115.700 -0.254 0.000 2.562 568 S HA 0.478 4.943 4.470 -0.008 0.000 0.281 568 S C 1.344 175.751 174.600 -0.321 0.000 1.333 568 S CA 1.446 59.470 58.200 -0.294 0.000 1.052 568 S CB 0.963 64.033 63.200 -0.217 0.000 0.884 568 S HN 2.115 nan 8.310 nan 0.000 0.506 569 G N 1.819 110.435 108.800 -0.307 0.000 2.145 569 G HA2 -0.168 3.787 3.960 -0.008 0.000 0.176 569 G HA3 -0.168 3.787 3.960 -0.008 0.000 0.176 569 G C -0.347 174.408 174.900 -0.242 0.000 1.013 569 G CA -0.089 44.880 45.100 -0.219 0.000 0.689 569 G HN 0.630 nan 8.290 nan 0.000 0.506 570 Q N 0.474 120.062 119.800 -0.353 0.000 2.226 570 Q HA 0.718 5.053 4.340 -0.008 0.000 0.256 570 Q C 0.473 176.395 176.000 -0.130 0.000 0.962 570 Q CA -0.149 55.481 55.803 -0.287 0.000 0.887 570 Q CB 0.974 29.416 28.738 -0.493 0.000 1.282 570 Q HN 0.133 nan 8.270 nan 0.000 0.449 571 T N 2.489 116.999 114.554 -0.074 0.000 2.834 571 T HA 0.205 4.550 4.350 -0.008 0.000 0.298 571 T C 0.805 175.514 174.700 0.014 0.000 0.966 571 T CA 0.266 62.349 62.100 -0.027 0.000 1.141 571 T CB 0.241 69.095 68.868 -0.023 0.000 0.905 571 T HN 0.536 nan 8.240 nan 0.000 0.535 572 V N 2.060 121.990 119.914 0.027 0.000 3.621 572 V HA 0.344 4.459 4.120 -0.008 0.000 0.263 572 V C 0.376 176.489 176.094 0.030 0.000 1.272 572 V CA -0.020 62.313 62.300 0.054 0.000 1.080 572 V CB 0.138 32.011 31.823 0.082 0.000 0.816 572 V HN 0.512 nan 8.190 nan 0.000 0.451 573 V N 2.588 122.509 119.914 0.012 0.000 2.407 573 V HA 0.508 4.623 4.120 -0.008 0.000 0.291 573 V C -2.695 173.399 176.094 -0.001 0.000 1.018 573 V CA -1.872 60.428 62.300 0.001 0.000 0.842 573 V CB 1.263 33.081 31.823 -0.009 0.000 0.996 573 V HN 0.246 nan 8.190 nan 0.000 0.426 574 P HA 0.209 nan 4.420 nan 0.000 0.271 574 P C 0.159 177.458 177.300 -0.002 0.000 1.226 574 P CA -0.171 62.929 63.100 -0.001 0.000 0.765 574 P CB 0.547 32.246 31.700 -0.001 0.000 0.835 575 D N 1.905 122.304 120.400 -0.001 0.000 2.401 575 D HA -0.216 4.419 4.640 -0.008 0.000 0.217 575 D C 1.900 178.201 176.300 0.003 0.000 0.978 575 D CA 1.800 55.801 54.000 0.001 0.000 0.951 575 D CB -0.363 40.438 40.800 0.001 0.000 0.879 575 D HN 0.588 nan 8.370 nan 0.000 0.497 576 E N 0.686 120.886 120.200 0.001 0.000 1.969 576 E HA -0.110 4.235 4.350 -0.008 0.000 0.222 576 E C 1.717 178.319 176.600 0.003 0.000 0.996 576 E CA 2.203 58.603 56.400 0.001 0.000 0.886 576 E CB -0.811 28.888 29.700 -0.002 0.000 0.810 576 E HN 0.535 nan 8.360 nan 0.000 0.545 577 R N -1.310 119.188 120.500 -0.003 0.000 2.917 577 R HA 0.668 5.003 4.340 -0.008 0.000 0.220 577 R C 0.599 176.892 176.300 -0.013 0.000 1.485 577 R CA 0.320 56.419 56.100 -0.002 0.000 1.037 577 R CB -0.203 30.094 30.300 -0.005 0.000 1.929 577 R HN 0.483 nan 8.270 nan 0.000 0.526 578 T N 2.209 116.752 114.554 -0.019 0.000 2.829 578 T HA 0.527 4.872 4.350 -0.008 0.000 0.282 578 T C -2.214 172.430 174.700 -0.092 0.000 0.990 578 T CA -0.817 61.246 62.100 -0.060 0.000 1.028 578 T CB 1.468 70.316 68.868 -0.033 0.000 0.951 578 T HN 0.546 nan 8.240 nan 0.000 0.460 579 P HA 0.270 nan 4.420 nan 0.000 0.269 579 P C -0.744 176.455 177.300 -0.168 0.000 1.215 579 P CA -0.274 62.745 63.100 -0.135 0.000 0.780 579 P CB 0.435 32.050 31.700 -0.143 0.000 0.898 580 D N 1.680 121.999 120.400 -0.134 0.000 2.412 580 D HA 0.250 4.885 4.640 -0.008 0.000 0.276 580 D C -0.344 175.864 176.300 -0.153 0.000 1.196 580 D CA -0.350 53.569 54.000 -0.134 0.000 0.905 580 D CB -0.360 40.395 40.800 -0.075 0.000 1.081 580 D HN 0.171 nan 8.370 nan 0.000 0.502 581 I N 1.515 121.952 120.570 -0.222 0.000 2.683 581 I HA -0.038 4.128 4.170 -0.008 0.000 0.286 581 I C 1.701 177.676 176.117 -0.237 0.000 1.175 581 I CA 0.132 61.276 61.300 -0.260 0.000 1.429 581 I CB 1.326 39.094 38.000 -0.388 0.000 1.371 581 I HN 0.241 nan 8.210 nan 0.000 0.569 582 S N 5.622 121.206 115.700 -0.194 0.000 2.371 582 S HA 0.007 4.473 4.470 -0.008 0.000 0.219 582 S C 0.307 174.892 174.600 -0.025 0.000 1.040 582 S CA 0.555 58.713 58.200 -0.071 0.000 0.958 582 S CB 0.104 63.331 63.200 0.046 0.000 0.860 582 S HN 0.832 nan 8.310 nan 0.000 0.487 583 H N -2.369 116.570 119.070 -0.218 0.000 2.917 583 H HA 0.341 4.893 4.556 -0.008 0.000 0.299 583 H C -1.807 173.363 175.328 -0.263 0.000 1.418 583 H CA -0.995 54.913 56.048 -0.234 0.000 1.138 583 H CB -0.205 29.551 29.762 -0.010 0.000 1.830 583 H HN 0.240 nan 8.280 nan 0.000 0.514 584 F N 1.405 121.426 119.950 0.119 0.000 2.421 584 F HA 0.360 4.882 4.527 -0.009 0.000 0.337 584 F C -0.115 175.849 175.800 0.273 0.000 1.105 584 F CA -1.032 56.984 58.000 0.027 0.000 1.049 584 F CB 1.201 40.213 39.000 0.020 0.000 1.139 584 F HN 0.431 nan 8.300 nan 0.000 0.479 585 Y N 0.113 120.602 120.300 0.315 0.000 2.387 585 Y HA 0.801 5.346 4.550 -0.008 0.000 0.336 585 Y C -1.251 174.741 175.900 0.154 0.000 1.067 585 Y CA -1.575 56.694 58.100 0.281 0.000 1.114 585 Y CB 0.976 39.590 38.460 0.257 0.000 1.208 585 Y HN 0.262 nan 8.280 nan 0.000 0.458 586 V N 3.069 123.082 119.914 0.164 0.000 2.482 586 V HA 0.574 4.689 4.120 -0.008 0.000 0.295 586 V C 0.599 176.581 176.094 -0.187 0.000 1.026 586 V CA -0.497 61.827 62.300 0.041 0.000 0.856 586 V CB 0.901 32.833 31.823 0.182 0.000 1.001 586 V HN 1.294 nan 8.190 nan 0.000 0.424 587 G N 3.274 111.977 108.800 -0.162 0.000 2.225 587 G HA2 0.193 4.148 3.960 -0.008 0.000 0.267 587 G HA3 0.193 4.148 3.960 -0.008 0.000 0.267 587 G C 0.608 175.264 174.900 -0.406 0.000 1.024 587 G CA 0.426 45.342 45.100 -0.307 0.000 0.784 587 G HN 2.093 nan 8.290 nan 0.000 0.507 588 G N -2.716 105.947 108.800 -0.229 0.000 2.359 588 G HA2 0.399 4.354 3.960 -0.008 0.000 0.293 588 G HA3 0.399 4.354 3.960 -0.008 0.000 0.293 588 G C -0.137 174.684 174.900 -0.133 0.000 1.300 588 G CA 0.039 45.019 45.100 -0.199 0.000 0.888 588 G HN 0.461 nan 8.290 nan 0.000 0.541 589 Y N 0.328 120.629 120.300 0.000 0.000 2.462 589 Y HA 0.350 4.895 4.550 -0.008 0.000 0.261 589 Y C 1.830 177.739 175.900 0.014 0.000 1.146 589 Y CA 0.507 58.592 58.100 -0.025 0.000 1.283 589 Y CB 0.510 38.909 38.460 -0.102 0.000 1.090 589 Y HN 0.547 nan 8.280 nan 0.000 0.526 590 K N 1.653 122.130 120.400 0.128 0.000 3.156 590 K HA -0.220 4.096 4.320 -0.008 0.000 0.266 590 K C -1.316 175.328 176.600 0.073 0.000 0.966 590 K CA 0.318 56.654 56.287 0.082 0.000 0.719 590 K CB -0.550 31.991 32.500 0.069 0.000 1.333 590 K HN 0.154 nan 8.250 nan 0.000 0.468 591 R N 0.104 120.657 120.500 0.088 0.000 2.539 591 R HA 0.082 4.417 4.340 -0.008 0.000 0.295 591 R C 1.080 177.401 176.300 0.035 0.000 1.138 591 R CA 0.234 56.358 56.100 0.040 0.000 0.936 591 R CB 1.438 31.739 30.300 0.002 0.000 1.182 591 R HN 0.285 nan 8.270 nan 0.000 0.459 592 S N 0.699 116.413 115.700 0.022 0.000 2.400 592 S HA -0.136 4.329 4.470 -0.008 0.000 0.232 592 S C 1.693 176.297 174.600 0.007 0.000 1.025 592 S CA 1.398 59.610 58.200 0.020 0.000 0.993 592 S CB -0.030 63.179 63.200 0.014 0.000 0.808 592 S HN 0.711 nan 8.310 nan 0.000 0.478 593 G N 0.926 109.719 108.800 -0.011 0.000 2.744 593 G HA2 0.202 4.157 3.960 -0.008 0.000 0.211 593 G HA3 0.202 4.157 3.960 -0.008 0.000 0.211 593 G C 0.463 175.338 174.900 -0.042 0.000 1.143 593 G CA -0.011 45.073 45.100 -0.027 0.000 0.788 593 G HN 0.360 nan 8.290 nan 0.000 0.534 594 M N 0.396 119.972 119.600 -0.040 0.000 2.264 594 M HA 0.260 4.735 4.480 -0.008 0.000 0.352 594 M C -1.734 174.577 176.300 0.017 0.000 1.173 594 M CA -2.302 52.961 55.300 -0.060 0.000 1.075 594 M CB 1.577 34.087 32.600 -0.150 0.000 1.621 594 M HN -0.165 nan 8.290 nan 0.000 0.457 595 P HA -0.013 nan 4.420 nan 0.000 0.229 595 P C 0.363 177.695 177.300 0.053 0.000 1.160 595 P CA 0.647 63.763 63.100 0.027 0.000 0.777 595 P CB -0.173 31.533 31.700 0.009 0.000 0.814 596 T N -1.956 112.658 114.554 0.100 0.000 2.860 596 T HA 0.278 4.623 4.350 -0.008 0.000 0.299 596 T C -0.245 174.493 174.700 0.064 0.000 1.045 596 T CA -0.508 61.639 62.100 0.079 0.000 1.071 596 T CB 0.774 69.703 68.868 0.101 0.000 0.985 596 T HN -0.140 nan 8.240 nan 0.000 0.537 597 D N 0.677 121.100 120.400 0.039 0.000 2.473 597 D HA 0.305 4.940 4.640 -0.008 0.000 0.253 597 D C -1.114 175.231 176.300 0.075 0.000 1.233 597 D CA -0.531 53.502 54.000 0.056 0.000 0.908 597 D CB 1.196 42.028 40.800 0.053 0.000 1.170 597 D HN 0.531 nan 8.370 nan 0.000 0.558 598 S N 3.830 119.588 115.700 0.097 0.000 2.433 598 S HA 0.510 4.975 4.470 -0.008 0.000 0.310 598 S C 0.176 174.890 174.600 0.189 0.000 1.097 598 S CA -0.899 57.406 58.200 0.175 0.000 1.103 598 S CB 1.395 64.692 63.200 0.162 0.000 0.992 598 S HN 0.289 nan 8.310 nan 0.000 0.469 599 R N 2.314 122.943 120.500 0.216 0.000 2.278 599 R HA 0.552 4.887 4.340 -0.008 0.000 0.322 599 R C -0.646 175.785 176.300 0.218 0.000 1.058 599 R CA -0.454 55.779 56.100 0.222 0.000 0.991 599 R CB 0.600 31.024 30.300 0.207 0.000 1.140 599 R HN 0.559 nan 8.270 nan 0.000 0.518 600 V N -1.776 118.283 119.914 0.242 0.000 3.178 600 V HA 0.565 4.680 4.120 -0.008 0.000 0.302 600 V C -0.518 175.714 176.094 0.230 0.000 1.262 600 V CA -0.831 61.532 62.300 0.106 0.000 1.030 600 V CB 2.366 34.169 31.823 -0.033 0.000 1.074 600 V HN 0.368 nan 8.190 nan 0.000 0.438 601 T N 2.007 116.647 114.554 0.143 0.000 2.823 601 T HA 0.778 5.124 4.350 -0.008 0.000 0.279 601 T C -0.631 174.155 174.700 0.143 0.000 0.998 601 T CA -0.386 61.802 62.100 0.147 0.000 0.994 601 T CB 1.508 70.489 68.868 0.188 0.000 0.960 601 T HN 0.874 nan 8.240 nan 0.000 0.448 602 V N 4.700 124.725 119.914 0.185 0.000 2.656 602 V HA 0.582 4.697 4.120 -0.008 0.000 0.307 602 V C -0.477 175.796 176.094 0.298 0.000 1.051 602 V CA -1.067 61.392 62.300 0.265 0.000 0.893 602 V CB 2.076 34.145 31.823 0.409 0.000 0.999 602 V HN 0.834 nan 8.190 nan 0.000 0.426 603 N N 2.407 121.269 118.700 0.271 0.000 2.312 603 N HA 0.406 5.141 4.740 -0.008 0.000 0.296 603 N C -0.670 174.998 175.510 0.263 0.000 1.193 603 N CA -0.852 52.368 53.050 0.283 0.000 0.773 603 N CB 1.804 40.413 38.487 0.204 0.000 1.435 603 N HN 0.819 nan 8.380 nan 0.000 0.484 604 N N -0.464 118.396 118.700 0.268 0.000 2.629 604 N HA -0.166 4.569 4.740 -0.008 0.000 0.278 604 N C -1.084 174.566 175.510 0.233 0.000 1.102 604 N CA -0.026 53.215 53.050 0.317 0.000 0.759 604 N CB -0.655 38.042 38.487 0.349 0.000 0.911 604 N HN 0.215 nan 8.380 nan 0.000 0.553 605 V N 2.377 122.340 119.914 0.082 0.000 2.406 605 V HA 0.368 4.483 4.120 -0.008 0.000 0.272 605 V C 0.604 176.744 176.094 0.078 0.000 1.043 605 V CA -0.268 62.017 62.300 -0.026 0.000 0.915 605 V CB 1.075 32.712 31.823 -0.310 0.000 0.988 605 V HN 0.256 nan 8.190 nan 0.000 0.466 606 L N 5.834 127.081 121.223 0.040 0.000 2.346 606 L HA 0.671 5.006 4.340 -0.008 0.000 0.276 606 L C -0.673 176.175 176.870 -0.037 0.000 1.006 606 L CA -0.617 54.190 54.840 -0.056 0.000 0.817 606 L CB 1.905 43.883 42.059 -0.135 0.000 1.272 606 L HN 0.512 nan 8.230 nan 0.000 0.421 607 L N 3.047 124.173 121.223 -0.162 0.000 2.376 607 L HA 0.570 4.905 4.340 -0.008 0.000 0.275 607 L C -1.555 175.104 176.870 -0.353 0.000 0.987 607 L CA 0.015 54.699 54.840 -0.260 0.000 0.828 607 L CB 1.167 42.899 42.059 -0.545 0.000 1.249 607 L HN 0.307 nan 8.230 nan 0.000 0.409 608 Y N 2.812 123.022 120.300 -0.151 0.000 2.429 608 Y HA 0.357 4.902 4.550 -0.009 0.000 0.342 608 Y C 0.881 176.689 175.900 -0.155 0.000 1.004 608 Y CA -0.652 57.343 58.100 -0.175 0.000 1.075 608 Y CB 1.504 39.879 38.460 -0.143 0.000 1.214 608 Y HN 0.731 nan 8.280 nan 0.000 0.455 609 N N 1.966 120.522 118.700 -0.241 0.000 2.421 609 N HA 0.018 4.753 4.740 -0.008 0.000 0.201 609 N C -0.452 174.977 175.510 -0.136 0.000 1.198 609 N CA -0.095 52.659 53.050 -0.493 0.000 0.838 609 N CB -0.045 37.745 38.487 -1.162 0.000 1.011 609 N HN 0.764 nan 8.380 nan 0.000 0.463 610 R N -2.298 118.187 120.500 -0.025 0.000 2.752 610 R HA 0.309 4.644 4.340 -0.008 0.000 0.271 610 R C -1.285 174.978 176.300 -0.061 0.000 1.026 610 R CA -0.993 55.087 56.100 -0.035 0.000 0.901 610 R CB 0.668 30.928 30.300 -0.066 0.000 1.243 610 R HN 0.041 nan 8.270 nan 0.000 0.463 611 Q N 1.933 121.681 119.800 -0.088 0.000 2.295 611 Q HA 0.272 4.607 4.340 -0.008 0.000 0.259 611 Q C -0.638 175.268 176.000 -0.156 0.000 0.976 611 Q CA -0.484 55.242 55.803 -0.127 0.000 0.923 611 Q CB 0.846 29.519 28.738 -0.109 0.000 1.185 611 Q HN 0.501 nan 8.270 nan 0.000 0.410 612 L N 3.278 124.369 121.223 -0.219 0.000 2.476 612 L HA 0.103 4.438 4.340 -0.008 0.000 0.264 612 L C 0.603 177.356 176.870 -0.196 0.000 1.224 612 L CA -0.436 54.245 54.840 -0.263 0.000 0.821 612 L CB 0.114 41.954 42.059 -0.365 0.000 1.101 612 L HN 0.819 nan 8.230 nan 0.000 0.488 613 N N 0.579 119.174 118.700 -0.176 0.000 2.478 613 N HA 0.311 5.046 4.740 -0.008 0.000 0.275 613 N C 0.388 175.813 175.510 -0.141 0.000 1.221 613 N CA -0.130 52.842 53.050 -0.129 0.000 0.979 613 N CB 0.937 39.367 38.487 -0.094 0.000 1.202 613 N HN 0.584 nan 8.380 nan 0.000 0.564 614 A N -0.164 122.596 122.820 -0.100 0.000 1.908 614 A HA -0.249 4.066 4.320 -0.008 0.000 0.218 614 A C 1.959 179.496 177.584 -0.080 0.000 1.181 614 A CA 1.958 53.942 52.037 -0.090 0.000 0.627 614 A CB -1.196 17.782 19.000 -0.035 0.000 0.818 614 A HN 0.928 nan 8.150 nan 0.000 0.445 615 E N -0.046 120.115 120.200 -0.064 0.000 2.051 615 E HA -0.246 4.099 4.350 -0.008 0.000 0.192 615 E C 1.839 178.398 176.600 -0.069 0.000 0.991 615 E CA 1.448 57.817 56.400 -0.051 0.000 0.799 615 E CB -0.234 29.440 29.700 -0.044 0.000 0.748 615 E HN 0.725 nan 8.360 nan 0.000 0.449 616 E N 0.338 120.477 120.200 -0.102 0.000 2.130 616 E HA -0.206 4.139 4.350 -0.008 0.000 0.196 616 E C 2.162 178.684 176.600 -0.129 0.000 0.998 616 E CA 1.519 57.840 56.400 -0.131 0.000 0.806 616 E CB -0.138 29.448 29.700 -0.191 0.000 0.738 616 E HN 0.453 nan 8.360 nan 0.000 0.459 617 I N 0.341 120.822 120.570 -0.150 0.000 2.353 617 I HA -0.218 3.947 4.170 -0.008 0.000 0.248 617 I C 2.680 178.795 176.117 -0.004 0.000 1.119 617 I CA 0.792 62.009 61.300 -0.138 0.000 1.417 617 I CB -0.238 37.572 38.000 -0.318 0.000 1.078 617 I HN 0.028 nan 8.210 nan 0.000 0.421 618 R N 0.700 121.207 120.500 0.012 0.000 2.081 618 R HA -0.145 4.190 4.340 -0.008 0.000 0.235 618 R C 2.285 178.622 176.300 0.062 0.000 1.131 618 R CA 2.040 58.204 56.100 0.106 0.000 0.960 618 R CB -0.208 30.137 30.300 0.074 0.000 0.856 618 R HN 0.284 nan 8.270 nan 0.000 0.436 619 T N 1.504 116.056 114.554 -0.003 0.000 2.708 619 T HA -0.114 4.231 4.350 -0.008 0.000 0.266 619 T C 1.849 176.522 174.700 -0.044 0.000 1.037 619 T CA 1.154 63.232 62.100 -0.037 0.000 1.146 619 T CB -0.165 68.678 68.868 -0.041 0.000 0.865 619 T HN 0.165 nan 8.240 nan 0.000 0.435 620 L N 0.056 121.272 121.223 -0.012 0.000 2.042 620 L HA -0.087 4.248 4.340 -0.008 0.000 0.210 620 L C 2.347 179.156 176.870 -0.102 0.000 1.076 620 L CA 1.406 56.250 54.840 0.007 0.000 0.749 620 L CB -0.514 41.598 42.059 0.089 0.000 0.893 620 L HN 0.221 nan 8.230 nan 0.000 0.432 621 F N 0.691 120.454 119.950 -0.312 0.000 2.075 621 F HA -0.200 4.321 4.527 -0.009 0.000 0.297 621 F C 2.137 177.740 175.800 -0.329 0.000 1.113 621 F CA 1.514 59.150 58.000 -0.606 0.000 1.218 621 F CB -0.565 38.287 39.000 -0.247 0.000 0.984 621 F HN -0.126 nan 8.300 nan 0.000 0.472 622 L N 0.273 121.213 121.223 -0.472 0.000 2.265 622 L HA -0.141 4.194 4.340 -0.008 0.000 0.215 622 L C 1.897 178.568 176.870 -0.332 0.000 1.117 622 L CA 1.402 55.909 54.840 -0.554 0.000 0.782 622 L CB -0.775 41.088 42.059 -0.327 0.000 0.914 622 L HN 0.394 nan 8.230 nan 0.000 0.441 623 S N -2.345 113.225 115.700 -0.217 0.000 2.574 623 S HA 0.098 4.563 4.470 -0.008 0.000 0.242 623 S C 1.268 175.819 174.600 -0.080 0.000 0.982 623 S CA -0.593 57.532 58.200 -0.126 0.000 0.977 623 S CB 0.375 63.529 63.200 -0.077 0.000 0.814 623 S HN 0.346 nan 8.310 nan 0.000 0.464 624 Q N 1.636 121.369 119.800 -0.112 0.000 2.133 624 Q HA -0.175 4.160 4.340 -0.008 0.000 0.208 624 Q C 0.797 176.815 176.000 0.030 0.000 0.991 624 Q CA 1.814 57.603 55.803 -0.024 0.000 0.867 624 Q CB -0.296 28.427 28.738 -0.024 0.000 0.911 624 Q HN 0.619 nan 8.270 nan 0.000 0.417 625 D N -0.136 120.265 120.400 0.002 0.000 2.363 625 D HA 0.007 4.642 4.640 -0.008 0.000 0.226 625 D C 1.285 177.612 176.300 0.045 0.000 1.020 625 D CA 0.605 54.622 54.000 0.027 0.000 0.892 625 D CB 0.326 41.128 40.800 0.004 0.000 0.900 625 D HN 0.277 nan 8.370 nan 0.000 0.531 626 L N 0.313 121.563 121.223 0.046 0.000 2.638 626 L HA 0.229 4.564 4.340 -0.008 0.000 0.232 626 L C 2.069 179.016 176.870 0.129 0.000 1.099 626 L CA 0.134 55.014 54.840 0.066 0.000 0.883 626 L CB 0.219 42.292 42.059 0.024 0.000 1.136 626 L HN -0.026 nan 8.230 nan 0.000 0.492 627 I N -2.826 117.837 120.570 0.155 0.000 3.883 627 I HA 0.339 4.504 4.170 -0.008 0.000 0.326 627 I C 1.237 177.565 176.117 0.353 0.000 1.283 627 I CA -0.281 61.166 61.300 0.246 0.000 1.161 627 I CB -0.450 37.660 38.000 0.183 0.000 1.012 627 I HN 0.004 nan 8.210 nan 0.000 0.421 628 G N 1.626 110.584 108.800 0.263 0.000 2.690 628 G HA2 0.133 4.088 3.960 -0.008 0.000 0.239 628 G HA3 0.133 4.088 3.960 -0.008 0.000 0.239 628 G C 0.928 175.924 174.900 0.160 0.000 1.233 628 G CA 0.515 45.736 45.100 0.201 0.000 0.847 628 G HN 0.449 nan 8.290 nan 0.000 0.588 629 T N -2.593 111.955 114.554 -0.011 0.000 3.107 629 T HA 0.122 4.467 4.350 -0.008 0.000 0.249 629 T C 1.550 176.298 174.700 0.080 0.000 1.096 629 T CA 0.860 62.945 62.100 -0.026 0.000 1.012 629 T CB 0.176 68.816 68.868 -0.380 0.000 0.977 629 T HN 0.660 nan 8.240 nan 0.000 0.527 630 E N 1.768 121.908 120.200 -0.100 0.000 2.086 630 E HA -0.243 4.102 4.350 -0.008 0.000 0.200 630 E C 2.315 178.757 176.600 -0.263 0.000 1.012 630 E CA 1.525 57.643 56.400 -0.470 0.000 0.812 630 E CB -0.471 28.899 29.700 -0.550 0.000 0.743 630 E HN 0.678 nan 8.360 nan 0.000 0.453 631 A N 0.224 122.945 122.820 -0.166 0.000 2.070 631 A HA -0.106 4.209 4.320 -0.008 0.000 0.220 631 A C 0.426 177.762 177.584 -0.412 0.000 1.159 631 A CA 1.208 53.060 52.037 -0.307 0.000 0.656 631 A CB -0.498 18.270 19.000 -0.387 0.000 0.800 631 A HN 0.321 nan 8.150 nan 0.000 0.453 632 H N 0.000 119.073 119.070 0.005 0.000 2.539 632 H HA 0.000 4.551 4.556 -0.008 0.000 0.296 632 H CA 0.000 56.066 56.048 0.030 0.000 1.023 632 H CB 0.000 29.766 29.762 0.006 0.000 1.292 632 H HN 0.000 nan 8.280 nan 0.000 0.496