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 3b69_1_A DATA FIRST_RESID -1 DATA SEQUENCE ASLAPGSSRV ELFKRQSSKV PFEKDGKVTE RVVHSFRLPA LVNVDGVMVA DATA SEQUENCE IADARYETSF DNSLIDTVAK YSVDDGETWE TQIAIKNSRA SSVSRVVDPT DATA SEQUENCE VIVKGNKLYV LVGSYNSSRS YWTSHGDARD WDILLAVGEV TKSTAGGKIT DATA SEQUENCE ASIKWGSPVS LKEFFPAEME GMHTNQFLGG AGVAIVASNG NLVYPVQVTN DATA SEQUENCE KKKQVFSKIF YSEDEGKTWK FGKGRSAFGC SEPVALEWEG KLIINTRVDY DATA SEQUENCE RRRLVYESSD MGNTWLEAVG TLSRVWGPSP KSNQPGSQSS FTAVTIEGMR DATA SEQUENCE VMLFTHPLNF KGRWLRDRLN LWLTDNQRIY NVGQVSIGDE NSAYSSVLYK DATA SEQUENCE DDKLYCLHEI NSNEVYSLVF ARLVGELRII KSVLQSWKNW DSHLSSIcTP DATA SEQUENCE AXXXXXXXXX GcGPAVTTVG LVGFLSHSAT KTEWEDAYRC VNASTANAER DATA SEQUENCE VPNGLKFAGV GGGALWPVSQ QGQNQRYHFA NHAFTLVASV TIHEVPKGAS DATA SEQUENCE PLLGASLDSS GGKKLLGLSY DKRHQWQPIY GSTPVTPTGS WEMGKRYHVV DATA SEQUENCE LTMANKIGSV YIDGEPLEGS GQTVVPDERT PDISHFYVGG YKRSGMPTDS DATA SEQUENCE RVTVNNVLLY NRQLNAEEIR TLFLSQDLIG TEAHM 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 A HA 0.000 nan 4.320 nan 0.000 0.244 -1 A C 0.000 177.573 177.584 -0.019 0.000 1.274 -1 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 -1 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 0 S N -1.675 114.013 115.700 -0.020 0.000 2.714 0 S HA 0.719 -11.391 4.470 -27.633 0.000 0.280 0 S C -0.821 173.769 174.600 -0.017 0.000 1.200 0 S CA -0.322 57.869 58.200 -0.015 0.000 0.900 0 S CB -0.241 nan 63.200 nan 0.000 1.235 0 S HN 1.323 nan 8.310 nan 0.000 0.512 1 L N 1.929 123.148 121.223 -0.006 0.000 2.456 1 L HA 0.486 -11.754 4.340 -27.633 0.000 0.272 1 L C 1.120 177.984 176.870 -0.010 0.000 1.189 1 L CA -0.369 54.466 54.840 -0.008 0.000 0.846 1 L CB 0.847 42.907 42.059 0.002 0.000 1.111 1 L HN 0.881 nan 8.230 nan 0.000 0.475 2 A N 5.657 128.469 122.820 -0.014 0.000 2.483 2 A HA 0.309 -11.951 4.320 -27.633 0.000 0.238 2 A C -2.068 175.512 177.584 -0.007 0.000 1.070 2 A CA -1.092 50.939 52.037 -0.010 0.000 0.770 2 A CB -0.571 18.422 19.000 -0.011 0.000 1.008 2 A HN 0.523 nan 8.150 nan 0.000 0.497 3 P HA 0.066 nan 4.420 nan 0.000 0.263 3 P C 0.898 178.196 177.300 -0.004 0.000 1.175 3 P CA 1.668 64.767 63.100 -0.001 0.000 0.761 3 P CB 0.553 32.253 31.700 0.001 0.000 0.794 4 G N 1.645 110.444 108.800 -0.002 0.000 2.213 4 G HA2 -0.199 -12.819 3.960 -27.633 0.000 0.236 4 G HA3 -0.199 -12.819 3.960 -27.633 0.000 0.236 4 G C 0.222 175.119 174.900 -0.006 0.000 0.991 4 G CA 0.046 45.144 45.100 -0.003 0.000 0.629 4 G HN 0.644 nan 8.290 nan 0.000 0.517 5 S N 0.210 115.905 115.700 -0.008 0.000 2.617 5 S HA 0.853 -11.257 4.470 -27.633 0.000 0.283 5 S C 0.257 174.856 174.600 -0.002 0.000 1.189 5 S CA 0.374 58.566 58.200 -0.013 0.000 1.036 5 S CB 1.894 65.082 63.200 -0.020 0.000 1.014 5 S HN 1.655 nan 8.310 nan 0.000 0.522 6 S N 1.553 117.252 115.700 -0.001 0.000 2.656 6 S HA 0.837 -11.273 4.470 -27.633 0.000 0.273 6 S C -0.988 173.614 174.600 0.003 0.000 1.168 6 S CA -1.206 57.000 58.200 0.011 0.000 0.817 6 S CB 1.784 64.999 63.200 0.026 0.000 1.146 6 S HN 0.968 nan 8.310 nan 0.000 0.475 7 R N -1.038 119.473 120.500 0.018 0.000 2.810 7 R HA 0.895 -11.345 4.340 -27.633 0.000 0.266 7 R C -1.664 174.669 176.300 0.056 0.000 1.061 7 R CA -0.941 55.170 56.100 0.018 0.000 0.943 7 R CB 1.197 31.494 30.300 -0.006 0.000 1.237 7 R HN 1.413 nan 8.270 nan 0.000 0.459 8 V N -2.845 117.116 119.914 0.078 0.000 2.969 8 V HA 0.418 -12.042 4.120 -27.633 0.000 0.304 8 V C -0.731 175.386 176.094 0.038 0.000 1.192 8 V CA -1.027 61.314 62.300 0.068 0.000 0.962 8 V CB 1.841 33.727 31.823 0.105 0.000 1.045 8 V HN 0.979 nan 8.190 nan 0.000 0.428 9 E N 2.082 122.281 120.200 -0.003 0.000 1.985 9 E HA 0.142 -12.088 4.350 -27.633 0.000 0.268 9 E C 0.504 177.053 176.600 -0.085 0.000 1.219 9 E CA -0.363 56.017 56.400 -0.033 0.000 0.942 9 E CB 1.038 30.720 29.700 -0.030 0.000 1.045 9 E HN 0.746 nan 8.360 nan 0.000 0.413 10 L N 5.655 126.815 121.223 -0.106 0.000 2.007 10 L HA 0.063 -12.177 4.340 -27.633 0.000 0.205 10 L C 0.117 176.694 176.870 -0.488 0.000 1.073 10 L CA 1.678 56.323 54.840 -0.325 0.000 0.744 10 L CB -0.022 41.794 42.059 -0.405 0.000 0.898 10 L HN 0.465 nan 8.230 nan 0.000 0.435 11 F N 1.805 121.442 119.950 -0.522 0.000 2.351 11 F HA 0.314 -11.737 4.527 -27.631 0.000 0.362 11 F C 0.337 175.803 175.800 -0.557 0.000 1.131 11 F CA -0.759 56.700 58.000 -0.902 0.000 1.187 11 F CB 0.125 38.458 39.000 -1.111 0.000 1.434 11 F HN -0.109 nan 8.300 nan 0.000 0.553 12 K N 4.189 124.444 120.400 -0.243 0.000 2.312 12 K HA 0.252 -12.007 4.320 -27.633 0.000 0.287 12 K C 0.179 176.905 176.600 0.210 0.000 1.062 12 K CA -0.722 55.563 56.287 -0.004 0.000 0.934 12 K CB 0.777 33.257 32.500 -0.035 0.000 1.027 12 K HN 0.587 nan 8.250 nan 0.000 0.478 13 R N 3.050 123.683 120.500 0.222 0.000 2.484 13 R HA -0.045 -12.285 4.340 -27.633 0.000 0.293 13 R C -0.488 175.853 176.300 0.069 0.000 1.023 13 R CA -0.000 56.214 56.100 0.190 0.000 1.037 13 R CB 0.130 30.469 30.300 0.064 0.000 0.951 13 R HN 0.733 nan 8.270 nan 0.000 0.418 14 Q N 0.197 120.026 119.800 0.049 0.000 2.494 14 Q HA -0.272 -12.512 4.340 -27.633 0.000 0.272 14 Q C 0.130 176.160 176.000 0.050 0.000 1.145 14 Q CA 1.230 57.043 55.803 0.017 0.000 0.943 14 Q CB -1.263 27.440 28.738 -0.058 0.000 1.338 14 Q HN 0.922 nan 8.270 nan 0.000 0.492 15 S N -2.148 113.611 115.700 0.098 0.000 3.916 15 S HA 0.140 -11.969 4.470 -27.633 0.000 0.231 15 S C 0.284 174.933 174.600 0.081 0.000 1.161 15 S CA 0.340 58.580 58.200 0.066 0.000 0.938 15 S CB 0.580 63.801 63.200 0.036 0.000 1.170 15 S HN 0.242 nan 8.310 nan 0.000 0.508 16 S N 2.611 118.378 115.700 0.112 0.000 2.549 16 S HA 0.347 -11.762 4.470 -27.633 0.000 0.286 16 S C -0.489 174.220 174.600 0.182 0.000 1.314 16 S CA 0.217 58.458 58.200 0.067 0.000 1.062 16 S CB 0.475 63.608 63.200 -0.113 0.000 0.865 16 S HN 0.399 nan 8.310 nan 0.000 0.498 17 K N 1.470 121.935 120.400 0.109 0.000 2.208 17 K HA 0.716 -11.543 4.320 -27.633 0.000 0.247 17 K C -0.574 176.115 176.600 0.148 0.000 0.953 17 K CA -0.879 55.491 56.287 0.139 0.000 0.837 17 K CB 1.611 34.166 32.500 0.092 0.000 1.131 17 K HN 0.447 nan 8.250 nan 0.000 0.431 18 V N -1.879 118.155 119.914 0.200 0.000 3.102 18 V HA 0.563 -11.897 4.120 -27.633 0.000 0.312 18 V C -2.670 173.558 176.094 0.223 0.000 1.135 18 V CA -2.473 59.954 62.300 0.211 0.000 1.022 18 V CB 1.920 33.904 31.823 0.270 0.000 1.056 18 V HN 0.660 nan 8.190 nan 0.000 0.436 19 P HA 0.213 nan 4.420 nan 0.000 0.225 19 P C -0.596 176.830 177.300 0.211 0.000 1.830 19 P CA -0.065 63.137 63.100 0.170 0.000 1.051 19 P CB -0.309 31.462 31.700 0.119 0.000 1.929 20 F N 2.637 122.637 119.950 0.084 0.000 2.557 20 F HA 0.091 -11.962 4.527 -27.633 0.000 0.384 20 F C 0.599 176.385 175.800 -0.022 0.000 1.057 20 F CA -0.268 57.744 58.000 0.020 0.000 1.169 20 F CB 0.365 39.280 39.000 -0.142 0.000 1.070 20 F HN 0.182 nan 8.300 nan 0.000 0.554 21 E N 7.050 126.981 120.200 -0.449 0.000 2.175 21 E HA 0.305 -11.925 4.350 -27.633 0.000 0.278 21 E C -1.312 174.858 176.600 -0.716 0.000 0.969 21 E CA -0.792 55.347 56.400 -0.436 0.000 0.796 21 E CB 1.066 30.640 29.700 -0.210 0.000 1.104 21 E HN 0.735 nan 8.360 nan 0.000 0.395 22 K N 4.272 124.361 120.400 -0.519 0.000 2.588 22 K HA 0.125 -12.134 4.320 -27.633 0.000 0.250 22 K C -1.493 174.984 176.600 -0.205 0.000 0.972 22 K CA -0.424 55.612 56.287 -0.417 0.000 0.821 22 K CB 0.873 33.084 32.500 -0.481 0.000 1.249 22 K HN 0.541 nan 8.250 nan 0.000 0.442 23 D N 3.471 123.784 120.400 -0.145 0.000 2.737 23 D HA -0.147 -12.087 4.640 -27.633 0.000 0.243 23 D C 0.626 176.880 176.300 -0.077 0.000 1.109 23 D CA 1.631 55.578 54.000 -0.088 0.000 0.702 23 D CB -1.172 39.588 40.800 -0.066 0.000 1.068 23 D HN 1.124 nan 8.370 nan 0.000 0.432 24 G N -0.039 108.712 108.800 -0.082 0.000 2.205 24 G HA2 -0.401 -13.021 3.960 -27.633 0.000 0.269 24 G HA3 -0.401 -13.021 3.960 -27.633 0.000 0.269 24 G C 0.452 175.317 174.900 -0.058 0.000 0.977 24 G CA 1.459 46.522 45.100 -0.061 0.000 0.652 24 G HN 0.634 nan 8.290 nan 0.000 0.539 25 K N -0.608 119.746 120.400 -0.077 0.000 2.168 25 K HA 0.743 -11.517 4.320 -27.633 0.000 0.239 25 K C -0.664 175.887 176.600 -0.081 0.000 0.999 25 K CA -0.682 55.569 56.287 -0.061 0.000 0.900 25 K CB 1.779 34.250 32.500 -0.049 0.000 1.111 25 K HN 0.151 nan 8.250 nan 0.000 0.452 26 V N 1.432 121.321 119.914 -0.041 0.000 2.711 26 V HA 0.338 -12.122 4.120 -27.633 0.000 0.304 26 V C -1.249 174.861 176.094 0.026 0.000 1.097 26 V CA -0.850 61.436 62.300 -0.023 0.000 0.906 26 V CB 1.956 33.777 31.823 -0.004 0.000 1.015 26 V HN 0.916 nan 8.190 nan 0.000 0.427 27 T N 2.516 117.114 114.554 0.073 0.000 2.893 27 T HA 0.410 -11.820 4.350 -27.633 0.000 0.293 27 T C -0.668 174.110 174.700 0.130 0.000 1.027 27 T CA -0.685 61.474 62.100 0.097 0.000 0.988 27 T CB 2.122 71.057 68.868 0.112 0.000 1.043 27 T HN 0.544 nan 8.240 nan 0.000 0.461 28 E N 2.620 122.879 120.200 0.097 0.000 2.081 28 E HA 0.098 -12.131 4.350 -27.633 0.000 0.270 28 E C -0.009 176.656 176.600 0.107 0.000 1.180 28 E CA 0.062 56.524 56.400 0.103 0.000 0.926 28 E CB 0.445 30.188 29.700 0.071 0.000 1.035 28 E HN 0.374 nan 8.360 nan 0.000 0.418 29 R N 2.461 123.049 120.500 0.148 0.000 2.393 29 R HA 0.307 -11.933 4.340 -27.633 0.000 0.310 29 R C -0.473 175.917 176.300 0.150 0.000 0.968 29 R CA -0.661 55.507 56.100 0.113 0.000 0.867 29 R CB 1.003 31.321 30.300 0.029 0.000 1.124 29 R HN 0.147 nan 8.270 nan 0.000 0.450 30 V N 4.578 124.554 119.914 0.103 0.000 2.843 30 V HA 0.066 -12.394 4.120 -27.633 0.000 0.305 30 V C 0.019 176.182 176.094 0.115 0.000 1.065 30 V CA -0.063 62.304 62.300 0.111 0.000 1.116 30 V CB 1.407 33.274 31.823 0.074 0.000 0.968 30 V HN 0.491 nan 8.190 nan 0.000 0.487 31 V N 4.163 124.124 119.914 0.077 0.000 2.417 31 V HA 0.245 -12.214 4.120 -27.633 0.000 0.291 31 V C 1.014 177.039 176.094 -0.116 0.000 1.024 31 V CA -0.407 61.805 62.300 -0.146 0.000 0.861 31 V CB 1.157 32.616 31.823 -0.606 0.000 0.985 31 V HN 0.985 nan 8.190 nan 0.000 0.436 32 H N 2.975 121.932 119.070 -0.189 0.000 2.293 32 H HA 0.014 -12.010 4.556 -27.634 0.000 0.300 32 H C 0.460 175.709 175.328 -0.132 0.000 1.082 32 H CA 1.665 57.647 56.048 -0.109 0.000 1.308 32 H CB 0.648 30.361 29.762 -0.081 0.000 1.375 32 H HN 0.597 nan 8.280 nan 0.000 0.495 33 S N -0.876 114.776 115.700 -0.081 0.000 2.569 33 S HA 0.471 -11.638 4.470 -27.633 0.000 0.280 33 S C -1.495 172.802 174.600 -0.505 0.000 1.111 33 S CA -0.643 57.489 58.200 -0.113 0.000 0.887 33 S CB 1.985 65.264 63.200 0.131 0.000 1.095 33 S HN 0.196 nan 8.310 nan 0.000 0.476 34 F N 1.654 121.589 119.950 -0.023 0.000 2.493 34 F HA 0.630 -11.424 4.527 -27.634 0.000 0.329 34 F C 0.737 176.433 175.800 -0.173 0.000 1.126 34 F CA -0.613 57.316 58.000 -0.119 0.000 0.937 34 F CB 1.528 40.477 39.000 -0.085 0.000 1.146 34 F HN 0.272 nan 8.300 nan 0.000 0.442 35 R N 1.278 121.698 120.500 -0.134 0.000 3.003 35 R HA 0.563 -11.677 4.340 -27.633 0.000 0.251 35 R C -0.980 175.219 176.300 -0.167 0.000 1.265 35 R CA -1.189 54.784 56.100 -0.211 0.000 1.026 35 R CB 1.175 31.218 30.300 -0.428 0.000 1.307 35 R HN 0.516 nan 8.270 nan 0.000 0.475 36 L N 1.572 122.728 121.223 -0.111 0.000 3.713 36 L HA -0.106 -12.346 4.340 -27.633 0.000 0.499 36 L C -2.159 174.713 176.870 0.003 0.000 1.281 36 L CA 0.313 55.179 54.840 0.043 0.000 0.796 36 L CB -1.773 40.285 42.059 -0.000 0.000 1.535 36 L HN 0.523 nan 8.230 nan 0.000 0.851 37 P HA 0.290 nan 4.420 nan 0.000 0.267 37 P C -0.310 177.016 177.300 0.043 0.000 1.205 37 P CA 0.147 63.224 63.100 -0.039 0.000 0.765 37 P CB 1.449 33.145 31.700 -0.006 0.000 0.828 38 A N 4.453 127.299 122.820 0.044 0.000 2.385 38 A HA 0.539 -11.720 4.320 -27.633 0.000 0.290 38 A C -1.371 176.299 177.584 0.143 0.000 1.094 38 A CA -0.645 51.457 52.037 0.108 0.000 0.729 38 A CB 0.839 19.907 19.000 0.114 0.000 1.194 38 A HN 0.506 nan 8.150 nan 0.000 0.442 39 L N 4.354 125.686 121.223 0.181 0.000 2.325 39 L HA 0.811 -11.428 4.340 -27.633 0.000 0.281 39 L C -0.406 176.597 176.870 0.222 0.000 1.004 39 L CA -0.348 54.630 54.840 0.229 0.000 0.823 39 L CB 1.712 43.942 42.059 0.285 0.000 1.236 39 L HN 0.893 nan 8.230 nan 0.000 0.415 40 V N 1.892 121.933 119.914 0.213 0.000 3.158 40 V HA 0.734 -11.726 4.120 -27.633 0.000 0.311 40 V C -1.035 175.152 176.094 0.155 0.000 1.181 40 V CA -0.861 61.549 62.300 0.183 0.000 1.054 40 V CB 2.085 34.011 31.823 0.173 0.000 1.085 40 V HN 0.823 nan 8.190 nan 0.000 0.446 41 N N 0.479 119.255 118.700 0.127 0.000 2.483 41 N HA 0.568 -11.271 4.740 -27.633 0.000 0.267 41 N C -1.363 174.189 175.510 0.070 0.000 0.998 41 N CA -0.371 52.731 53.050 0.087 0.000 0.918 41 N CB 1.671 40.209 38.487 0.086 0.000 1.215 41 N HN 0.704 nan 8.380 nan 0.000 0.500 42 V N 3.683 123.626 119.914 0.049 0.000 2.311 42 V HA 0.266 -12.194 4.120 -27.633 0.000 0.275 42 V C 0.288 176.386 176.094 0.005 0.000 1.022 42 V CA -0.613 61.704 62.300 0.028 0.000 0.830 42 V CB 0.863 32.692 31.823 0.009 0.000 1.012 42 V HN 0.805 nan 8.190 nan 0.000 0.452 43 D N 4.260 124.664 120.400 0.007 0.000 2.792 43 D HA -0.225 -12.165 4.640 -27.633 0.000 0.231 43 D C 1.329 177.625 176.300 -0.008 0.000 1.160 43 D CA 2.048 56.046 54.000 -0.003 0.000 0.697 43 D CB -0.956 39.834 40.800 -0.015 0.000 1.070 43 D HN 1.283 nan 8.370 nan 0.000 0.426 44 G N -2.632 106.166 108.800 -0.004 0.000 2.238 44 G HA2 -0.271 -12.890 3.960 -27.633 0.000 0.217 44 G HA3 -0.271 -12.890 3.960 -27.633 0.000 0.217 44 G C 0.301 175.185 174.900 -0.026 0.000 0.996 44 G CA 0.084 45.175 45.100 -0.015 0.000 0.632 44 G HN 0.650 nan 8.290 nan 0.000 0.503 45 V N 2.440 122.344 119.914 -0.017 0.000 2.461 45 V HA 0.604 -11.856 4.120 -27.633 0.000 0.275 45 V C 0.802 176.891 176.094 -0.008 0.000 1.047 45 V CA -0.094 62.197 62.300 -0.015 0.000 0.955 45 V CB 1.609 33.437 31.823 0.008 0.000 0.988 45 V HN 0.453 nan 8.190 nan 0.000 0.471 46 M N 5.981 125.542 119.600 -0.065 0.000 2.120 46 M HA 0.451 -11.649 4.480 -27.633 0.000 0.354 46 M C -1.155 175.204 176.300 0.098 0.000 1.287 46 M CA -0.014 55.253 55.300 -0.055 0.000 1.103 46 M CB 0.785 33.217 32.600 -0.280 0.000 1.623 46 M HN 0.502 nan 8.290 nan 0.000 0.471 47 V N 4.819 124.855 119.914 0.203 0.000 2.540 47 V HA 0.732 -11.727 4.120 -27.633 0.000 0.302 47 V C -0.345 175.956 176.094 0.347 0.000 1.035 47 V CA -0.855 61.631 62.300 0.310 0.000 0.873 47 V CB 1.527 33.490 31.823 0.234 0.000 0.992 47 V HN 0.902 nan 8.190 nan 0.000 0.428 48 A N 6.428 129.496 122.820 0.414 0.000 2.285 48 A HA 0.844 -11.415 4.320 -27.633 0.000 0.310 48 A C -0.687 177.065 177.584 0.280 0.000 1.266 48 A CA -0.366 51.859 52.037 0.315 0.000 0.832 48 A CB 0.328 19.488 19.000 0.265 0.000 1.163 48 A HN 0.769 nan 8.150 nan 0.000 0.499 49 I N 1.818 122.482 120.570 0.157 0.000 2.525 49 I HA 0.743 -11.667 4.170 -27.633 0.000 0.301 49 I C 0.478 176.560 176.117 -0.058 0.000 0.992 49 I CA -0.117 61.231 61.300 0.081 0.000 1.162 49 I CB 2.054 40.107 38.000 0.089 0.000 1.332 49 I HN 0.792 nan 8.210 nan 0.000 0.458 50 A N 3.838 126.599 122.820 -0.098 0.000 2.540 50 A HA 0.493 -11.767 4.320 -27.633 0.000 0.291 50 A C -1.874 175.642 177.584 -0.112 0.000 1.083 50 A CA -0.746 51.182 52.037 -0.182 0.000 0.650 50 A CB 1.140 19.852 19.000 -0.479 0.000 1.292 50 A HN 0.532 nan 8.150 nan 0.000 0.435 51 D N 1.078 121.396 120.400 -0.136 0.000 2.304 51 D HA 0.524 -11.416 4.640 -27.633 0.000 0.250 51 D C 0.075 176.253 176.300 -0.203 0.000 1.107 51 D CA 0.795 54.697 54.000 -0.164 0.000 0.885 51 D CB 1.549 42.226 40.800 -0.206 0.000 1.192 51 D HN 0.818 nan 8.370 nan 0.000 0.436 52 A N 3.883 126.529 122.820 -0.289 0.000 2.412 52 A HA 0.333 -11.927 4.320 -27.633 0.000 0.334 52 A C 0.073 177.244 177.584 -0.688 0.000 1.419 52 A CA -0.719 50.985 52.037 -0.555 0.000 0.930 52 A CB 0.245 18.934 19.000 -0.518 0.000 1.149 52 A HN 0.383 nan 8.150 nan 0.000 0.515 53 R N 3.154 123.287 120.500 -0.613 0.000 2.391 53 R HA 0.226 -12.014 4.340 -27.633 0.000 0.310 53 R C -0.323 175.753 176.300 -0.374 0.000 1.174 53 R CA -0.199 55.658 56.100 -0.406 0.000 1.118 53 R CB 0.150 30.274 30.300 -0.293 0.000 1.134 53 R HN 0.847 nan 8.270 nan 0.000 0.524 54 Y N 1.360 121.526 120.300 -0.224 0.000 2.081 54 Y HA -0.312 -12.341 4.550 -27.631 0.000 0.280 54 Y C 1.703 177.503 175.900 -0.167 0.000 1.163 54 Y CA 1.725 59.690 58.100 -0.225 0.000 1.135 54 Y CB 0.198 38.475 38.460 -0.305 0.000 0.970 54 Y HN 0.479 nan 8.280 nan 0.000 0.498 55 E N -1.728 118.462 120.200 -0.017 0.000 2.251 55 E HA 0.077 -12.152 4.350 -27.633 0.000 0.194 55 E C 0.567 176.956 176.600 -0.351 0.000 0.964 55 E CA 0.761 57.099 56.400 -0.104 0.000 0.868 55 E CB 0.685 30.334 29.700 -0.085 0.000 0.828 55 E HN 0.116 nan 8.360 nan 0.000 0.481 56 T N -1.874 112.428 114.554 -0.420 0.000 2.816 56 T HA 0.232 -11.998 4.350 -27.633 0.000 0.299 56 T C 0.174 174.672 174.700 -0.337 0.000 1.230 56 T CA -0.150 61.558 62.100 -0.653 0.000 1.007 56 T CB 1.272 69.982 68.868 -0.263 0.000 1.289 56 T HN -0.022 nan 8.240 nan 0.000 0.508 57 S N 1.326 116.931 115.700 -0.158 0.000 2.548 57 S HA 0.228 -11.882 4.470 -27.633 0.000 0.215 57 S C 0.565 175.137 174.600 -0.046 0.000 0.976 57 S CA -0.383 57.799 58.200 -0.029 0.000 0.908 57 S CB -0.499 62.815 63.200 0.190 0.000 0.781 57 S HN 0.567 nan 8.310 nan 0.000 0.519 58 F N 4.271 124.120 119.950 -0.168 0.000 2.612 58 F HA 0.134 -11.919 4.527 -27.633 0.000 0.389 58 F C 0.891 176.566 175.800 -0.208 0.000 1.055 58 F CA -0.961 56.940 58.000 -0.164 0.000 1.232 58 F CB 0.079 38.981 39.000 -0.163 0.000 1.044 58 F HN -0.007 nan 8.300 nan 0.000 0.560 59 D N 3.689 123.733 120.400 -0.594 0.000 2.133 59 D HA -0.257 -12.196 4.640 -27.633 0.000 0.195 59 D C 0.386 176.234 176.300 -0.754 0.000 0.997 59 D CA 1.838 55.474 54.000 -0.607 0.000 0.840 59 D CB -0.250 40.266 40.800 -0.474 0.000 0.947 59 D HN 0.627 nan 8.370 nan 0.000 0.452 60 N N 0.308 118.199 118.700 -1.348 0.000 3.298 60 N HA 0.168 -11.671 4.740 -27.633 0.000 0.292 60 N C -0.467 174.787 175.510 -0.428 0.000 1.271 60 N CA -0.333 52.190 53.050 -0.879 0.000 1.184 60 N CB 0.605 38.521 38.487 -0.952 0.000 1.452 60 N HN 0.033 nan 8.380 nan 0.000 0.534 61 S N -0.581 114.966 115.700 -0.255 0.000 2.840 61 S HA 0.442 -11.668 4.470 -27.633 0.000 0.307 61 S C -0.731 173.838 174.600 -0.052 0.000 1.180 61 S CA -1.051 57.104 58.200 -0.074 0.000 0.846 61 S CB 0.872 64.056 63.200 -0.026 0.000 1.233 61 S HN 0.147 nan 8.310 nan 0.000 0.548 62 L N 1.315 122.537 121.223 -0.001 0.000 2.433 62 L HA 0.571 -11.669 4.340 -27.633 0.000 0.275 62 L C -1.186 175.742 176.870 0.096 0.000 1.128 62 L CA 0.413 55.294 54.840 0.069 0.000 0.875 62 L CB -0.850 41.260 42.059 0.084 0.000 1.171 62 L HN 0.584 nan 8.230 nan 0.000 0.463 63 I N 4.190 124.808 120.570 0.079 0.000 2.656 63 I HA 0.397 -12.012 4.170 -27.633 0.000 0.292 63 I C -1.038 175.107 176.117 0.046 0.000 1.144 63 I CA -0.736 60.556 61.300 -0.015 0.000 1.038 63 I CB 2.134 40.068 38.000 -0.110 0.000 1.244 63 I HN 0.426 nan 8.210 nan 0.000 0.420 64 D N 2.483 122.888 120.400 0.008 0.000 2.423 64 D HA 0.436 -11.504 4.640 -27.633 0.000 0.235 64 D C -0.768 175.488 176.300 -0.073 0.000 1.011 64 D CA -0.307 53.720 54.000 0.046 0.000 0.963 64 D CB 2.472 43.400 40.800 0.212 0.000 1.349 64 D HN 0.321 nan 8.370 nan 0.000 0.508 65 T N 0.573 115.073 114.554 -0.091 0.000 2.738 65 T HA 0.325 -11.905 4.350 -27.633 0.000 0.298 65 T C 0.208 174.840 174.700 -0.113 0.000 0.962 65 T CA -0.373 61.650 62.100 -0.129 0.000 0.972 65 T CB 0.865 69.618 68.868 -0.191 0.000 0.928 65 T HN 0.094 nan 8.240 nan 0.000 0.474 66 V N 2.834 122.736 119.914 -0.020 0.000 3.036 66 V HA 0.894 -11.565 4.120 -27.633 0.000 0.308 66 V C -0.391 175.768 176.094 0.108 0.000 1.070 66 V CA -0.467 61.886 62.300 0.088 0.000 1.056 66 V CB 1.328 33.322 31.823 0.286 0.000 1.084 66 V HN 1.046 nan 8.190 nan 0.000 0.471 67 A N 4.685 127.608 122.820 0.172 0.000 2.488 67 A HA 0.764 -11.495 4.320 -27.633 0.000 0.295 67 A C -1.011 176.761 177.584 0.315 0.000 1.045 67 A CA -0.805 51.380 52.037 0.247 0.000 0.703 67 A CB 1.440 20.551 19.000 0.184 0.000 1.271 67 A HN 0.795 nan 8.150 nan 0.000 0.400 68 K N 1.167 121.774 120.400 0.345 0.000 2.371 68 K HA 0.685 -11.575 4.320 -27.633 0.000 0.251 68 K C -1.612 175.387 176.600 0.664 0.000 0.934 68 K CA -0.554 55.906 56.287 0.289 0.000 0.798 68 K CB 2.256 34.618 32.500 -0.231 0.000 1.204 68 K HN 0.728 nan 8.250 nan 0.000 0.427 69 Y N -1.834 118.707 120.300 0.402 0.000 2.576 69 Y HA 0.745 -11.286 4.550 -27.634 0.000 0.346 69 Y C -0.477 175.359 175.900 -0.107 0.000 1.018 69 Y CA -1.329 56.913 58.100 0.237 0.000 1.050 69 Y CB 1.741 40.273 38.460 0.119 0.000 1.280 69 Y HN 0.431 nan 8.280 nan 0.000 0.474 70 S N -0.205 115.244 115.700 -0.419 0.000 2.599 70 S HA 0.697 -11.413 4.470 -27.633 0.000 0.287 70 S C -0.203 174.165 174.600 -0.387 0.000 1.105 70 S CA -0.160 57.594 58.200 -0.743 0.000 0.899 70 S CB 1.528 63.771 63.200 -1.594 0.000 1.100 70 S HN 1.137 nan 8.310 nan 0.000 0.482 71 V N -0.050 119.664 119.914 -0.332 0.000 3.548 71 V HA 0.376 -12.083 4.120 -27.633 0.000 0.279 71 V C 0.351 176.329 176.094 -0.193 0.000 1.446 71 V CA 0.500 62.685 62.300 -0.193 0.000 1.023 71 V CB 0.067 31.817 31.823 -0.121 0.000 0.820 71 V HN 0.784 nan 8.190 nan 0.000 0.438 72 D N -0.325 119.919 120.400 -0.260 0.000 2.559 72 D HA 0.137 -11.802 4.640 -27.633 0.000 0.234 72 D C 0.016 176.193 176.300 -0.204 0.000 1.226 72 D CA -0.258 53.628 54.000 -0.190 0.000 0.830 72 D CB -0.577 40.124 40.800 -0.163 0.000 1.028 72 D HN 0.345 nan 8.370 nan 0.000 0.492 73 D N 0.437 120.665 120.400 -0.286 0.000 2.705 73 D HA -0.129 -12.069 4.640 -27.633 0.000 0.240 73 D C 1.135 177.275 176.300 -0.266 0.000 1.137 73 D CA 1.179 55.015 54.000 -0.273 0.000 0.677 73 D CB -1.385 39.393 40.800 -0.035 0.000 1.049 73 D HN 0.681 nan 8.370 nan 0.000 0.427 74 G N 0.067 108.460 108.800 -0.680 0.000 2.143 74 G HA2 -0.365 -12.985 3.960 -27.633 0.000 0.249 74 G HA3 -0.365 -12.985 3.960 -27.633 0.000 0.249 74 G C 0.735 175.582 174.900 -0.088 0.000 0.981 74 G CA 0.714 45.500 45.100 -0.523 0.000 0.665 74 G HN 0.443 nan 8.290 nan 0.000 0.528 75 E N 0.138 120.215 120.200 -0.204 0.000 2.190 75 E HA 0.254 -11.975 4.350 -27.633 0.000 0.191 75 E C 1.409 177.966 176.600 -0.071 0.000 0.978 75 E CA 1.721 58.089 56.400 -0.054 0.000 0.839 75 E CB 0.299 29.964 29.700 -0.057 0.000 0.787 75 E HN 0.933 nan 8.360 nan 0.000 0.473 76 T N -2.780 111.626 114.554 -0.246 0.000 2.956 76 T HA 0.585 -11.644 4.350 -27.633 0.000 0.312 76 T C -1.410 173.081 174.700 -0.349 0.000 1.151 76 T CA -0.934 61.072 62.100 -0.156 0.000 1.024 76 T CB 0.640 69.428 68.868 -0.134 0.000 1.140 76 T HN 0.046 nan 8.240 nan 0.000 0.473 77 W N 0.672 121.827 121.300 -0.242 0.000 3.022 77 W HA 0.651 -11.270 4.660 -27.634 0.000 0.335 77 W C -0.440 175.870 176.519 -0.348 0.000 1.133 77 W CA -0.639 56.517 57.345 -0.314 0.000 1.219 77 W CB 1.692 30.950 29.460 -0.335 0.000 1.409 77 W HN 0.530 nan 8.180 nan 0.000 0.507 78 E N 1.377 121.411 120.200 -0.275 0.000 2.231 78 E HA 0.559 -11.671 4.350 -27.633 0.000 0.277 78 E C -0.446 176.039 176.600 -0.191 0.000 0.999 78 E CA -0.411 55.758 56.400 -0.386 0.000 0.827 78 E CB 1.674 30.833 29.700 -0.902 0.000 1.101 78 E HN 0.230 nan 8.360 nan 0.000 0.393 79 T N 2.752 117.274 114.554 -0.054 0.000 2.885 79 T HA 0.607 -11.623 4.350 -27.633 0.000 0.285 79 T C -0.140 174.645 174.700 0.141 0.000 1.019 79 T CA -0.838 61.283 62.100 0.035 0.000 1.010 79 T CB 1.585 70.427 68.868 -0.045 0.000 1.022 79 T HN 0.463 nan 8.240 nan 0.000 0.466 80 Q N 0.700 120.611 119.800 0.185 0.000 2.782 80 Q HA 0.574 -11.666 4.340 -27.633 0.000 0.308 80 Q C -1.910 174.159 176.000 0.116 0.000 0.883 80 Q CA -1.091 54.821 55.803 0.182 0.000 0.755 80 Q CB 1.094 29.997 28.738 0.276 0.000 1.454 80 Q HN 0.364 nan 8.270 nan 0.000 0.452 81 I N 1.417 122.026 120.570 0.064 0.000 2.362 81 I HA 0.371 -12.039 4.170 -27.633 0.000 0.289 81 I C 0.526 176.505 176.117 -0.229 0.000 0.994 81 I CA -0.355 60.932 61.300 -0.023 0.000 1.158 81 I CB 1.067 39.099 38.000 0.053 0.000 1.315 81 I HN 1.004 nan 8.210 nan 0.000 0.451 82 A N 7.540 130.040 122.820 -0.532 0.000 1.975 82 A HA 0.275 -11.984 4.320 -27.633 0.000 0.215 82 A C 0.826 177.971 177.584 -0.732 0.000 1.170 82 A CA 1.043 52.282 52.037 -1.330 0.000 0.656 82 A CB 0.187 18.052 19.000 -1.893 0.000 0.821 82 A HN 0.622 nan 8.150 nan 0.000 0.449 83 I N 0.013 120.346 120.570 -0.395 0.000 2.610 83 I HA 0.243 -12.167 4.170 -27.633 0.000 0.289 83 I C -0.923 175.131 176.117 -0.105 0.000 1.163 83 I CA -0.850 60.331 61.300 -0.199 0.000 1.044 83 I CB 2.311 40.197 38.000 -0.189 0.000 1.251 83 I HN 0.229 nan 8.210 nan 0.000 0.424 84 K N 5.043 125.409 120.400 -0.056 0.000 2.123 84 K HA 0.509 -11.751 4.320 -27.633 0.000 0.259 84 K C -0.550 176.037 176.600 -0.021 0.000 0.960 84 K CA -0.805 55.475 56.287 -0.011 0.000 0.872 84 K CB 1.468 33.952 32.500 -0.027 0.000 1.079 84 K HN 0.677 nan 8.250 nan 0.000 0.440 85 N N 0.620 119.329 118.700 0.015 0.000 2.381 85 N HA -0.096 -11.935 4.740 -27.633 0.000 0.254 85 N C 0.631 176.129 175.510 -0.019 0.000 1.264 85 N CA -0.163 52.884 53.050 -0.006 0.000 0.942 85 N CB 1.057 39.561 38.487 0.029 0.000 1.190 85 N HN 0.799 nan 8.380 nan 0.000 0.495 86 S N -0.129 115.551 115.700 -0.033 0.000 2.493 86 S HA -0.156 -12.266 4.470 -27.633 0.000 0.243 86 S C 0.682 175.267 174.600 -0.025 0.000 0.991 86 S CA 0.184 58.361 58.200 -0.038 0.000 0.957 86 S CB -0.443 62.729 63.200 -0.046 0.000 0.756 86 S HN 0.697 nan 8.310 nan 0.000 0.521 87 R N -0.669 119.829 120.500 -0.005 0.000 3.946 87 R HA -0.230 -12.470 4.340 -27.633 0.000 0.329 87 R C 1.240 177.541 176.300 0.001 0.000 1.209 87 R CA 0.926 57.027 56.100 0.003 0.000 0.909 87 R CB -2.724 27.556 30.300 -0.033 0.000 1.355 87 R HN 0.717 nan 8.270 nan 0.000 0.539 88 A N 0.337 123.157 122.820 0.000 0.000 2.015 88 A HA -0.023 -12.283 4.320 -27.633 0.000 0.219 88 A C 1.178 178.768 177.584 0.009 0.000 1.163 88 A CA 1.633 53.670 52.037 0.001 0.000 0.646 88 A CB 0.046 19.045 19.000 -0.001 0.000 0.806 88 A HN 0.681 nan 8.150 nan 0.000 0.448 89 S N -2.862 112.849 115.700 0.018 0.000 2.752 89 S HA 0.385 -11.725 4.470 -27.633 0.000 0.284 89 S C 0.662 175.277 174.600 0.025 0.000 1.189 89 S CA 0.376 58.588 58.200 0.019 0.000 0.835 89 S CB 0.713 63.925 63.200 0.021 0.000 1.192 89 S HN 0.797 nan 8.310 nan 0.000 0.506 90 S N -0.289 115.422 115.700 0.019 0.000 2.603 90 S HA 0.007 -12.103 4.470 -27.633 0.000 0.229 90 S C 1.232 175.843 174.600 0.019 0.000 0.972 90 S CA 0.712 58.921 58.200 0.016 0.000 0.935 90 S CB -0.892 62.311 63.200 0.005 0.000 0.769 90 S HN 1.727 nan 8.310 nan 0.000 0.536 91 V N -2.457 117.471 119.914 0.024 0.000 3.252 91 V HA 0.450 -12.010 4.120 -27.633 0.000 0.320 91 V C 0.173 176.283 176.094 0.027 0.000 1.459 91 V CA -0.666 61.645 62.300 0.018 0.000 1.095 91 V CB -0.396 31.435 31.823 0.012 0.000 0.997 91 V HN 0.249 nan 8.190 nan 0.000 0.469 92 S N 2.935 118.661 115.700 0.042 0.000 2.566 92 S HA 0.570 -11.540 4.470 -27.633 0.000 0.280 92 S C 0.189 174.820 174.600 0.053 0.000 1.343 92 S CA 0.086 58.317 58.200 0.051 0.000 1.036 92 S CB 0.273 63.497 63.200 0.040 0.000 0.866 92 S HN 0.974 nan 8.310 nan 0.000 0.526 93 R N -1.114 119.418 120.500 0.052 0.000 2.687 93 R HA 0.541 -11.699 4.340 -27.633 0.000 0.265 93 R C -1.995 174.312 176.300 0.011 0.000 1.048 93 R CA -1.073 55.047 56.100 0.033 0.000 0.884 93 R CB 0.490 30.795 30.300 0.009 0.000 1.258 93 R HN 0.383 nan 8.270 nan 0.000 0.469 94 V N -0.200 119.697 119.914 -0.029 0.000 2.417 94 V HA 0.806 -11.654 4.120 -27.633 0.000 0.291 94 V C 0.405 176.452 176.094 -0.079 0.000 1.024 94 V CA -0.746 61.507 62.300 -0.078 0.000 0.861 94 V CB 1.057 32.819 31.823 -0.100 0.000 0.985 94 V HN 0.707 nan 8.190 nan 0.000 0.436 95 V N 0.084 119.947 119.914 -0.085 0.000 2.960 95 V HA 0.718 -11.741 4.120 -27.633 0.000 0.315 95 V C -0.163 175.855 176.094 -0.128 0.000 1.087 95 V CA -0.753 61.488 62.300 -0.097 0.000 0.982 95 V CB 1.564 33.350 31.823 -0.063 0.000 1.039 95 V HN 0.865 nan 8.190 nan 0.000 0.437 96 D N 1.202 121.536 120.400 -0.109 0.000 2.740 96 D HA -0.109 -12.049 4.640 -27.633 0.000 0.231 96 D C -2.271 173.980 176.300 -0.082 0.000 1.194 96 D CA 1.164 55.117 54.000 -0.078 0.000 0.673 96 D CB -1.124 39.618 40.800 -0.097 0.000 0.995 96 D HN 0.790 nan 8.370 nan 0.000 0.411 97 P HA -0.015 nan 4.420 nan 0.000 0.264 97 P C -0.236 177.066 177.300 0.004 0.000 1.183 97 P CA 0.392 63.459 63.100 -0.055 0.000 0.763 97 P CB 0.807 32.475 31.700 -0.052 0.000 0.807 98 T N 2.629 117.194 114.554 0.019 0.000 2.840 98 T HA 0.375 -11.855 4.350 -27.633 0.000 0.287 98 T C -0.079 174.809 174.700 0.313 0.000 0.991 98 T CA -0.475 61.708 62.100 0.138 0.000 0.964 98 T CB 1.091 70.006 68.868 0.077 0.000 0.954 98 T HN 0.074 nan 8.240 nan 0.000 0.438 99 V N 4.519 124.629 119.914 0.326 0.000 2.547 99 V HA 0.611 -11.848 4.120 -27.633 0.000 0.299 99 V C -0.230 176.056 176.094 0.319 0.000 1.040 99 V CA -0.861 61.647 62.300 0.346 0.000 0.913 99 V CB 1.618 33.594 31.823 0.256 0.000 0.992 99 V HN 0.804 nan 8.190 nan 0.000 0.449 100 I N 3.607 124.361 120.570 0.306 0.000 2.499 100 I HA 0.423 -11.986 4.170 -27.633 0.000 0.288 100 I C -0.798 175.472 176.117 0.254 0.000 1.048 100 I CA -0.764 60.639 61.300 0.171 0.000 1.062 100 I CB 2.274 40.248 38.000 -0.044 0.000 1.238 100 I HN 0.282 nan 8.210 nan 0.000 0.426 101 V N 6.465 126.486 119.914 0.179 0.000 2.407 101 V HA 0.423 -12.037 4.120 -27.633 0.000 0.278 101 V C -0.071 176.109 176.094 0.144 0.000 1.037 101 V CA -0.448 61.956 62.300 0.172 0.000 0.900 101 V CB 1.513 33.409 31.823 0.123 0.000 0.983 101 V HN 0.635 nan 8.190 nan 0.000 0.459 102 K N 3.581 124.094 120.400 0.188 0.000 2.695 102 K HA 0.560 -11.700 4.320 -27.633 0.000 0.255 102 K C 0.285 176.962 176.600 0.128 0.000 1.016 102 K CA 0.418 56.782 56.287 0.128 0.000 0.928 102 K CB 1.283 33.834 32.500 0.084 0.000 1.235 102 K HN 0.998 nan 8.250 nan 0.000 0.467 103 G N 3.348 112.186 108.800 0.063 0.000 2.509 103 G HA2 -0.329 -12.948 3.960 -27.633 0.000 0.256 103 G HA3 -0.329 -12.948 3.960 -27.633 0.000 0.256 103 G C -0.168 174.741 174.900 0.015 0.000 1.152 103 G CA 0.236 45.357 45.100 0.034 0.000 0.951 103 G HN 0.768 nan 8.290 nan 0.000 0.559 104 N N 1.007 119.698 118.700 -0.014 0.000 2.321 104 N HA 0.191 -11.649 4.740 -27.633 0.000 0.242 104 N C -0.153 175.297 175.510 -0.099 0.000 1.141 104 N CA 0.172 53.190 53.050 -0.053 0.000 0.864 104 N CB 0.503 38.949 38.487 -0.068 0.000 1.100 104 N HN 0.498 nan 8.380 nan 0.000 0.510 105 K N 0.992 121.357 120.400 -0.060 0.000 2.221 105 K HA 0.412 -11.848 4.320 -27.633 0.000 0.258 105 K C -0.493 176.039 176.600 -0.113 0.000 0.944 105 K CA -0.579 55.611 56.287 -0.162 0.000 0.823 105 K CB 2.500 34.900 32.500 -0.167 0.000 1.113 105 K HN 0.114 nan 8.250 nan 0.000 0.431 106 L N 3.654 124.728 121.223 -0.247 0.000 2.280 106 L HA 0.352 -11.888 4.340 -27.633 0.000 0.287 106 L C -0.779 176.047 176.870 -0.073 0.000 1.023 106 L CA -0.836 53.986 54.840 -0.030 0.000 0.819 106 L CB 0.426 42.518 42.059 0.055 0.000 1.212 106 L HN 0.439 nan 8.230 nan 0.000 0.420 107 Y N 3.165 123.591 120.300 0.210 0.000 2.404 107 Y HA 0.406 -11.624 4.550 -27.633 0.000 0.344 107 Y C -0.025 176.100 175.900 0.376 0.000 0.970 107 Y CA -0.631 57.642 58.100 0.288 0.000 1.180 107 Y CB 1.386 40.012 38.460 0.276 0.000 1.138 107 Y HN 0.179 nan 8.280 nan 0.000 0.510 108 V N 5.941 126.108 119.914 0.422 0.000 2.357 108 V HA 0.306 -12.154 4.120 -27.633 0.000 0.284 108 V C -0.654 175.522 176.094 0.137 0.000 1.018 108 V CA -0.817 61.659 62.300 0.293 0.000 0.841 108 V CB 1.521 33.464 31.823 0.200 0.000 0.991 108 V HN 0.489 nan 8.190 nan 0.000 0.437 109 L N 7.641 128.857 121.223 -0.012 0.000 2.296 109 L HA 0.851 -11.389 4.340 -27.633 0.000 0.286 109 L C -0.345 176.371 176.870 -0.257 0.000 1.023 109 L CA -0.009 54.668 54.840 -0.273 0.000 0.812 109 L CB 1.649 43.238 42.059 -0.783 0.000 1.223 109 L HN 0.598 nan 8.230 nan 0.000 0.421 110 V N 1.883 121.638 119.914 -0.265 0.000 2.925 110 V HA 0.947 -11.513 4.120 -27.633 0.000 0.311 110 V C 0.197 176.088 176.094 -0.337 0.000 1.104 110 V CA -0.315 61.832 62.300 -0.256 0.000 0.954 110 V CB 1.115 32.825 31.823 -0.189 0.000 1.022 110 V HN 0.871 nan 8.190 nan 0.000 0.427 111 G N 0.896 109.507 108.800 -0.315 0.000 2.507 111 G HA2 0.529 -12.091 3.960 -27.633 0.000 0.271 111 G HA3 0.529 -12.090 3.960 -27.633 0.000 0.271 111 G C -0.378 174.294 174.900 -0.380 0.000 1.189 111 G CA -0.080 44.796 45.100 -0.372 0.000 0.859 111 G HN 1.250 nan 8.290 nan 0.000 0.542 112 S N -0.244 115.076 115.700 -0.632 0.000 2.594 112 S HA 0.676 -11.434 4.470 -27.633 0.000 0.296 112 S C -1.509 172.673 174.600 -0.697 0.000 1.124 112 S CA -0.620 57.287 58.200 -0.487 0.000 1.011 112 S CB 0.550 63.499 63.200 -0.418 0.000 1.016 112 S HN 0.424 nan 8.310 nan 0.000 0.485 113 Y N 2.907 123.169 120.300 -0.065 0.000 2.536 113 Y HA 0.520 -11.510 4.550 -27.634 0.000 0.347 113 Y C 1.244 177.137 175.900 -0.012 0.000 1.000 113 Y CA -0.903 57.201 58.100 0.007 0.000 1.051 113 Y CB 1.614 40.107 38.460 0.055 0.000 1.259 113 Y HN 0.579 nan 8.280 nan 0.000 0.468 114 N N -0.220 118.563 118.700 0.138 0.000 2.511 114 N HA -0.030 -11.870 4.740 -27.633 0.000 0.190 114 N C 0.783 176.337 175.510 0.074 0.000 1.037 114 N CA 1.296 54.389 53.050 0.071 0.000 0.895 114 N CB 0.237 38.743 38.487 0.032 0.000 1.149 114 N HN 0.594 nan 8.380 nan 0.000 0.437 115 S N -1.517 114.234 115.700 0.086 0.000 2.820 115 S HA 0.173 -11.936 4.470 -27.633 0.000 0.265 115 S C 0.314 174.939 174.600 0.041 0.000 1.043 115 S CA -0.540 57.691 58.200 0.052 0.000 1.245 115 S CB 0.322 63.541 63.200 0.031 0.000 1.187 115 S HN 0.063 nan 8.310 nan 0.000 0.673 116 S N 1.317 117.054 115.700 0.063 0.000 2.549 116 S HA 0.410 -11.700 4.470 -27.633 0.000 0.279 116 S C 0.688 175.282 174.600 -0.010 0.000 1.321 116 S CA -0.387 57.819 58.200 0.011 0.000 1.054 116 S CB 0.788 63.987 63.200 -0.002 0.000 0.899 116 S HN 0.487 nan 8.310 nan 0.000 0.497 117 R N 2.226 122.724 120.500 -0.003 0.000 2.393 117 R HA 0.287 -11.953 4.340 -27.633 0.000 0.244 117 R C -0.133 176.163 176.300 -0.005 0.000 0.920 117 R CA -0.038 56.075 56.100 0.022 0.000 1.076 117 R CB 0.526 30.883 30.300 0.096 0.000 1.119 117 R HN 0.458 nan 8.270 nan 0.000 0.524 118 S N -0.084 115.622 115.700 0.010 0.000 2.578 118 S HA 0.283 -11.827 4.470 -27.633 0.000 0.283 118 S C -0.825 173.785 174.600 0.016 0.000 1.195 118 S CA -0.588 57.657 58.200 0.075 0.000 1.050 118 S CB 0.679 63.982 63.200 0.172 0.000 1.012 118 S HN 0.086 nan 8.310 nan 0.000 0.511 119 Y N 3.768 124.064 120.300 -0.007 0.000 2.610 119 Y HA -0.063 -12.092 4.550 -27.632 0.000 0.332 119 Y C 1.605 177.332 175.900 -0.289 0.000 1.201 119 Y CA 0.071 58.091 58.100 -0.134 0.000 1.465 119 Y CB 0.306 38.704 38.460 -0.103 0.000 1.283 119 Y HN 0.864 nan 8.280 nan 0.000 0.563 120 W N 1.882 122.877 121.300 -0.508 0.000 2.308 120 W HA -0.261 -12.183 4.660 -27.637 0.000 0.301 120 W C 1.266 177.504 176.519 -0.469 0.000 1.220 120 W CA 2.022 58.872 57.345 -0.825 0.000 1.240 120 W CB -1.742 27.422 29.460 -0.495 0.000 1.142 120 W HN 0.594 nan 8.180 nan 0.000 0.521 121 T N -0.626 113.356 114.554 -0.953 0.000 3.113 121 T HA -0.064 -12.294 4.350 -27.633 0.000 0.263 121 T C 1.838 176.326 174.700 -0.354 0.000 1.143 121 T CA 1.343 62.923 62.100 -0.866 0.000 1.090 121 T CB -0.667 67.703 68.868 -0.829 0.000 0.922 121 T HN 0.301 nan 8.240 nan 0.000 0.521 122 S N -0.213 115.389 115.700 -0.164 0.000 2.535 122 S HA 0.124 -11.986 4.470 -27.633 0.000 0.214 122 S C 0.407 175.090 174.600 0.137 0.000 0.980 122 S CA -0.823 57.384 58.200 0.011 0.000 0.907 122 S CB -0.766 62.492 63.200 0.097 0.000 0.790 122 S HN 0.728 nan 8.310 nan 0.000 0.510 123 H N 0.383 119.436 119.070 -0.029 0.000 2.764 123 H HA 0.315 -11.708 4.556 -27.631 0.000 0.341 123 H C 1.436 176.770 175.328 0.009 0.000 1.072 123 H CA -0.147 55.915 56.048 0.023 0.000 1.444 123 H CB 1.121 30.937 29.762 0.091 0.000 1.458 123 H HN 0.426 nan 8.280 nan 0.000 0.572 124 G N 2.462 111.340 108.800 0.131 0.000 2.777 124 G HA2 -0.057 -12.676 3.960 -27.633 0.000 0.211 124 G HA3 -0.057 -12.676 3.960 -27.633 0.000 0.211 124 G C -0.155 174.793 174.900 0.080 0.000 1.149 124 G CA 0.363 45.507 45.100 0.073 0.000 0.785 124 G HN 0.772 nan 8.290 nan 0.000 0.536 125 D N -2.895 117.575 120.400 0.117 0.000 2.677 125 D HA 0.522 -11.418 4.640 -27.633 0.000 0.298 125 D C 0.220 176.636 176.300 0.193 0.000 1.250 125 D CA -0.207 53.866 54.000 0.123 0.000 0.888 125 D CB 0.851 41.705 40.800 0.089 0.000 1.397 125 D HN -0.063 nan 8.370 nan 0.000 0.461 126 A N -0.434 122.514 122.820 0.214 0.000 2.415 126 A HA 0.151 -12.108 4.320 -27.633 0.000 0.248 126 A C 1.691 179.470 177.584 0.325 0.000 1.299 126 A CA 0.158 52.394 52.037 0.332 0.000 0.899 126 A CB -0.769 18.484 19.000 0.422 0.000 0.997 126 A HN 0.541 nan 8.150 nan 0.000 0.506 127 R N -0.236 120.391 120.500 0.211 0.000 2.139 127 R HA -0.190 -12.430 4.340 -27.633 0.000 0.243 127 R C 0.883 177.274 176.300 0.151 0.000 1.145 127 R CA 2.085 58.273 56.100 0.147 0.000 0.976 127 R CB -0.363 29.988 30.300 0.085 0.000 0.866 127 R HN 0.275 nan 8.270 nan 0.000 0.449 128 D N -1.041 119.490 120.400 0.219 0.000 2.369 128 D HA 0.049 -11.891 4.640 -27.633 0.000 0.211 128 D C -0.596 175.837 176.300 0.222 0.000 1.077 128 D CA -0.246 53.891 54.000 0.227 0.000 0.842 128 D CB 0.198 41.162 40.800 0.273 0.000 0.947 128 D HN 0.345 nan 8.370 nan 0.000 0.509 129 W N 0.747 122.039 121.300 -0.014 0.000 2.516 129 W HA 0.543 -11.377 4.660 -27.634 0.000 0.343 129 W C -0.830 175.520 176.519 -0.282 0.000 1.094 129 W CA -0.486 56.675 57.345 -0.306 0.000 1.250 129 W CB 1.095 30.476 29.460 -0.131 0.000 1.308 129 W HN -0.291 nan 8.180 nan 0.000 0.588 130 D N 2.990 122.499 120.400 -1.485 0.000 2.622 130 D HA 0.300 -11.639 4.640 -27.633 0.000 0.255 130 D C -2.048 173.146 176.300 -1.842 0.000 1.246 130 D CA -0.610 52.447 54.000 -1.573 0.000 0.795 130 D CB 2.072 42.417 40.800 -0.757 0.000 1.369 130 D HN 0.296 nan 8.370 nan 0.000 0.425 131 I N 2.406 122.129 120.570 -1.412 0.000 2.439 131 I HA 0.443 -11.967 4.170 -27.633 0.000 0.283 131 I C -1.512 174.261 176.117 -0.573 0.000 1.023 131 I CA -0.336 60.377 61.300 -0.979 0.000 1.100 131 I CB 0.825 38.155 38.000 -1.116 0.000 1.238 131 I HN 0.314 nan 8.210 nan 0.000 0.445 132 L N 6.974 127.936 121.223 -0.434 0.000 2.333 132 L HA 0.665 -11.575 4.340 -27.633 0.000 0.269 132 L C -1.158 175.608 176.870 -0.173 0.000 1.010 132 L CA -1.094 53.594 54.840 -0.253 0.000 0.818 132 L CB 1.923 43.853 42.059 -0.214 0.000 1.306 132 L HN 0.446 nan 8.230 nan 0.000 0.430 133 L N 2.079 123.268 121.223 -0.056 0.000 2.356 133 L HA 0.873 -11.367 4.340 -27.633 0.000 0.277 133 L C -0.602 176.333 176.870 0.108 0.000 0.996 133 L CA -0.143 54.725 54.840 0.047 0.000 0.822 133 L CB 1.531 43.675 42.059 0.141 0.000 1.256 133 L HN 0.724 nan 8.230 nan 0.000 0.413 134 A N 4.659 127.565 122.820 0.143 0.000 2.350 134 A HA 0.846 -11.414 4.320 -27.633 0.000 0.324 134 A C -1.388 176.352 177.584 0.260 0.000 1.118 134 A CA -0.578 51.576 52.037 0.195 0.000 0.783 134 A CB 1.704 20.820 19.000 0.193 0.000 1.236 134 A HN 0.489 nan 8.150 nan 0.000 0.457 135 V N 1.445 121.445 119.914 0.144 0.000 2.448 135 V HA 0.682 -11.778 4.120 -27.633 0.000 0.295 135 V C 0.686 176.572 176.094 -0.347 0.000 1.025 135 V CA -0.167 62.054 62.300 -0.131 0.000 0.859 135 V CB 1.731 33.376 31.823 -0.297 0.000 0.988 135 V HN 1.159 nan 8.190 nan 0.000 0.431 136 G N 2.772 111.044 108.800 -0.880 0.000 2.368 136 G HA2 0.571 -12.048 3.960 -27.633 0.000 0.320 136 G HA3 0.571 -12.048 3.960 -27.633 0.000 0.320 136 G C -0.773 173.581 174.900 -0.910 0.000 1.158 136 G CA -0.292 43.792 45.100 -1.693 0.000 0.912 136 G HN 0.617 nan 8.290 nan 0.000 0.456 137 E N 2.121 121.921 120.200 -0.667 0.000 2.156 137 E HA 0.355 -11.875 4.350 -27.633 0.000 0.279 137 E C -0.481 175.899 176.600 -0.367 0.000 0.965 137 E CA -0.450 55.703 56.400 -0.413 0.000 0.789 137 E CB 1.973 31.505 29.700 -0.278 0.000 1.098 137 E HN 0.200 nan 8.360 nan 0.000 0.397 138 V N 3.530 123.272 119.914 -0.286 0.000 2.546 138 V HA 0.249 -12.210 4.120 -27.633 0.000 0.284 138 V C 0.168 176.173 176.094 -0.149 0.000 1.050 138 V CA 0.043 62.206 62.300 -0.229 0.000 0.981 138 V CB 1.658 33.374 31.823 -0.178 0.000 0.990 138 V HN 0.686 nan 8.190 nan 0.000 0.474 139 T N 5.507 119.988 114.554 -0.122 0.000 2.937 139 T HA 0.412 -11.818 4.350 -27.633 0.000 0.297 139 T C -0.513 174.164 174.700 -0.039 0.000 0.991 139 T CA -0.727 61.329 62.100 -0.073 0.000 0.990 139 T CB 1.144 69.971 68.868 -0.068 0.000 0.991 139 T HN 0.590 nan 8.240 nan 0.000 0.440 140 K N 1.634 122.016 120.400 -0.029 0.000 2.118 140 K HA 0.848 -11.412 4.320 -27.633 0.000 0.254 140 K C -0.005 176.587 176.600 -0.012 0.000 0.961 140 K CA -0.641 55.638 56.287 -0.013 0.000 0.876 140 K CB 1.922 34.412 32.500 -0.017 0.000 1.077 140 K HN 0.534 nan 8.250 nan 0.000 0.440 141 S N -0.136 115.559 115.700 -0.007 0.000 3.127 141 S HA 0.439 -11.671 4.470 -27.633 0.000 0.314 141 S C -1.615 172.980 174.600 -0.009 0.000 1.238 141 S CA -0.597 57.598 58.200 -0.008 0.000 1.074 141 S CB 1.507 64.703 63.200 -0.006 0.000 1.417 141 S HN 0.485 nan 8.310 nan 0.000 0.597 142 T N 1.205 115.754 114.554 -0.009 0.000 2.921 142 T HA 0.746 -11.483 4.350 -27.633 0.000 0.297 142 T C 0.455 175.149 174.700 -0.010 0.000 1.013 142 T CA 0.089 62.182 62.100 -0.011 0.000 0.990 142 T CB 1.451 70.311 68.868 -0.012 0.000 1.023 142 T HN 0.761 nan 8.240 nan 0.000 0.447 143 A N 2.501 125.313 122.820 -0.012 0.000 2.666 143 A HA 0.672 -11.588 4.320 -27.633 0.000 0.221 143 A C 1.662 179.239 177.584 -0.012 0.000 2.097 143 A CA 0.507 52.537 52.037 -0.011 0.000 0.835 143 A CB -0.833 18.158 19.000 -0.014 0.000 1.409 143 A HN 0.851 nan 8.150 nan 0.000 0.531 144 G N -1.567 107.225 108.800 -0.014 0.000 3.882 144 G HA2 0.464 -12.156 3.960 -27.633 0.000 0.283 144 G HA3 0.464 -12.156 3.960 -27.633 0.000 0.283 144 G C 0.909 175.801 174.900 -0.013 0.000 1.283 144 G CA 0.562 45.654 45.100 -0.013 0.000 1.402 144 G HN 1.852 nan 8.290 nan 0.000 0.618 145 G N 0.520 109.312 108.800 -0.013 0.000 2.317 145 G HA2 -0.264 -12.884 3.960 -27.633 0.000 0.227 145 G HA3 -0.264 -12.884 3.960 -27.633 0.000 0.227 145 G C 0.738 175.628 174.900 -0.016 0.000 1.042 145 G CA 0.281 45.373 45.100 -0.013 0.000 0.623 145 G HN 0.936 nan 8.290 nan 0.000 0.509 146 K N 1.244 121.633 120.400 -0.019 0.000 2.098 146 K HA 0.709 -11.551 4.320 -27.633 0.000 0.257 146 K C 0.237 176.823 176.600 -0.024 0.000 0.999 146 K CA -0.989 55.284 56.287 -0.023 0.000 0.924 146 K CB 1.463 33.946 32.500 -0.029 0.000 1.028 146 K HN 0.058 nan 8.250 nan 0.000 0.466 147 I N 2.154 122.707 120.570 -0.028 0.000 2.575 147 I HA 0.079 -12.331 4.170 -27.633 0.000 0.285 147 I C 0.754 176.854 176.117 -0.029 0.000 1.085 147 I CA 0.163 61.447 61.300 -0.026 0.000 1.403 147 I CB 0.483 38.467 38.000 -0.028 0.000 1.409 147 I HN 0.984 nan 8.210 nan 0.000 0.557 148 T N 1.702 116.246 114.554 -0.017 0.000 2.812 148 T HA 0.935 -11.295 4.350 -27.633 0.000 0.294 148 T C -0.718 173.996 174.700 0.023 0.000 1.159 148 T CA -0.789 61.307 62.100 -0.006 0.000 1.008 148 T CB 2.298 71.163 68.868 -0.005 0.000 1.289 148 T HN 0.851 nan 8.240 nan 0.000 0.514 149 A N 0.526 123.392 122.820 0.076 0.000 2.593 149 A HA 0.956 -11.304 4.320 -27.633 0.000 0.290 149 A C -0.677 177.049 177.584 0.235 0.000 1.126 149 A CA -0.481 51.629 52.037 0.122 0.000 0.695 149 A CB 1.422 20.505 19.000 0.138 0.000 1.290 149 A HN 2.088 nan 8.150 nan 0.000 0.414 150 S N -0.030 115.733 115.700 0.105 0.000 2.592 150 S HA 0.636 -11.474 4.470 -27.633 0.000 0.275 150 S C -1.169 173.323 174.600 -0.180 0.000 1.169 150 S CA -0.415 57.821 58.200 0.060 0.000 0.958 150 S CB 0.477 63.716 63.200 0.066 0.000 1.095 150 S HN 0.720 nan 8.310 nan 0.000 0.471 151 I N 2.760 123.111 120.570 -0.364 0.000 2.321 151 I HA 0.443 -11.967 4.170 -27.633 0.000 0.291 151 I C -0.201 175.707 176.117 -0.348 0.000 0.998 151 I CA -0.638 60.385 61.300 -0.462 0.000 1.227 151 I CB 1.614 39.253 38.000 -0.602 0.000 1.368 151 I HN 0.607 nan 8.210 nan 0.000 0.466 152 K N 6.936 127.100 120.400 -0.393 0.000 2.240 152 K HA 0.285 -11.975 4.320 -27.633 0.000 0.271 152 K C -1.772 174.568 176.600 -0.432 0.000 1.018 152 K CA -0.214 55.920 56.287 -0.254 0.000 0.874 152 K CB 0.499 32.898 32.500 -0.169 0.000 1.098 152 K HN 0.314 nan 8.250 nan 0.000 0.458 153 W N 3.315 124.587 121.300 -0.047 0.000 2.335 153 W HA 0.463 -11.458 4.660 -27.634 0.000 0.307 153 W C 0.925 177.423 176.519 -0.035 0.000 1.117 153 W CA -0.530 56.788 57.345 -0.044 0.000 1.228 153 W CB 1.660 31.104 29.460 -0.027 0.000 1.240 153 W HN 0.816 nan 8.180 nan 0.000 0.468 154 G N 1.528 110.406 108.800 0.131 0.000 2.572 154 G HA2 0.351 -12.269 3.960 -27.633 0.000 0.261 154 G HA3 0.351 -12.269 3.960 -27.633 0.000 0.261 154 G C -0.083 174.893 174.900 0.127 0.000 1.197 154 G CA -0.733 44.421 45.100 0.089 0.000 0.870 154 G HN 0.496 nan 8.290 nan 0.000 0.548 155 S N 1.611 117.357 115.700 0.076 0.000 2.549 155 S HA 0.381 -11.729 4.470 -27.633 0.000 0.279 155 S C -1.903 172.730 174.600 0.056 0.000 1.321 155 S CA -1.030 57.205 58.200 0.057 0.000 1.054 155 S CB 1.194 64.413 63.200 0.032 0.000 0.899 155 S HN 0.527 nan 8.310 nan 0.000 0.497 156 P HA 0.234 nan 4.420 nan 0.000 0.269 156 P C -0.918 176.390 177.300 0.013 0.000 1.215 156 P CA -0.450 62.664 63.100 0.023 0.000 0.780 156 P CB 0.538 32.223 31.700 -0.024 0.000 0.898 157 V N 1.493 121.425 119.914 0.031 0.000 2.540 157 V HA 0.225 -12.235 4.120 -27.633 0.000 0.302 157 V C 0.616 176.718 176.094 0.013 0.000 1.035 157 V CA -0.645 61.681 62.300 0.043 0.000 0.873 157 V CB 1.675 33.564 31.823 0.110 0.000 0.992 157 V HN 0.691 nan 8.190 nan 0.000 0.428 158 S N 4.331 120.017 115.700 -0.022 0.000 2.531 158 S HA 0.349 -11.761 4.470 -27.633 0.000 0.279 158 S C 0.483 175.103 174.600 0.034 0.000 1.305 158 S CA -0.311 57.842 58.200 -0.077 0.000 1.058 158 S CB 0.168 63.296 63.200 -0.120 0.000 0.899 158 S HN 0.600 nan 8.310 nan 0.000 0.493 159 L N 5.047 126.294 121.223 0.040 0.000 2.910 159 L HA 0.309 -11.931 4.340 -27.633 0.000 0.252 159 L C 2.003 179.059 176.870 0.310 0.000 1.195 159 L CA -0.171 54.862 54.840 0.322 0.000 1.003 159 L CB -0.212 42.024 42.059 0.296 0.000 1.328 159 L HN 0.681 nan 8.230 nan 0.000 0.540 160 K N 1.834 122.270 120.400 0.060 0.000 2.209 160 K HA -0.186 -12.446 4.320 -27.633 0.000 0.204 160 K C 1.836 178.564 176.600 0.214 0.000 1.048 160 K CA 1.619 57.979 56.287 0.121 0.000 0.940 160 K CB 0.247 32.697 32.500 -0.083 0.000 0.729 160 K HN 0.564 nan 8.250 nan 0.000 0.451 161 E N -0.566 119.628 120.200 -0.010 0.000 2.265 161 E HA -0.182 -12.412 4.350 -27.633 0.000 0.196 161 E C 0.983 177.500 176.600 -0.139 0.000 0.996 161 E CA 1.008 57.310 56.400 -0.163 0.000 0.832 161 E CB -0.312 29.133 29.700 -0.424 0.000 0.756 161 E HN 0.353 nan 8.360 nan 0.000 0.491 162 F N 0.037 120.245 119.950 0.432 0.000 2.765 162 F HA 0.202 -11.850 4.527 -27.633 0.000 0.302 162 F C 0.424 176.668 175.800 0.740 0.000 1.111 162 F CA -0.536 57.785 58.000 0.534 0.000 1.359 162 F CB 0.300 39.662 39.000 0.603 0.000 1.097 162 F HN -0.031 nan 8.300 nan 0.000 0.577 163 F N 5.097 125.402 119.950 0.592 0.000 2.371 163 F HA 0.400 -11.653 4.527 -27.633 0.000 0.363 163 F C -2.062 173.903 175.800 0.275 0.000 1.122 163 F CA -4.317 53.988 58.000 0.508 0.000 1.129 163 F CB 0.160 39.526 39.000 0.611 0.000 1.173 163 F HN -0.200 nan 8.300 nan 0.000 0.489 164 P HA 0.189 nan 4.420 nan 0.000 0.275 164 P C -0.154 176.957 177.300 -0.316 0.000 1.227 164 P CA -0.185 62.859 63.100 -0.093 0.000 0.781 164 P CB 1.451 33.120 31.700 -0.052 0.000 0.906 165 A N 2.863 125.595 122.820 -0.146 0.000 2.121 165 A HA -0.067 -12.327 4.320 -27.633 0.000 0.218 165 A C 0.789 178.315 177.584 -0.097 0.000 1.154 165 A CA 1.126 53.089 52.037 -0.124 0.000 0.679 165 A CB -0.384 18.609 19.000 -0.012 0.000 0.795 165 A HN 0.701 nan 8.150 nan 0.000 0.458 166 E N -1.485 118.647 120.200 -0.113 0.000 2.314 166 E HA 0.655 -11.574 4.350 -27.633 0.000 0.272 166 E C -1.253 175.252 176.600 -0.157 0.000 0.884 166 E CA -0.416 55.913 56.400 -0.119 0.000 0.753 166 E CB 1.955 31.613 29.700 -0.071 0.000 1.213 166 E HN 0.303 nan 8.360 nan 0.000 0.432 167 M N 1.170 120.663 119.600 -0.179 0.000 2.644 167 M HA 0.244 -11.856 4.480 -27.633 0.000 0.304 167 M C -0.700 175.500 176.300 -0.168 0.000 1.215 167 M CA -1.123 54.079 55.300 -0.163 0.000 0.871 167 M CB 2.053 34.550 32.600 -0.171 0.000 1.740 167 M HN 0.387 nan 8.290 nan 0.000 0.464 168 E N 1.308 121.423 120.200 -0.142 0.000 3.111 168 E HA 0.037 -12.193 4.350 -27.633 0.000 0.230 168 E C 0.819 177.325 176.600 -0.158 0.000 1.035 168 E CA 1.724 58.044 56.400 -0.133 0.000 0.944 168 E CB -0.751 28.878 29.700 -0.118 0.000 0.919 168 E HN 0.761 nan 8.360 nan 0.000 0.554 169 G N 3.845 112.555 108.800 -0.150 0.000 2.176 169 G HA2 -0.261 -12.881 3.960 -27.633 0.000 0.252 169 G HA3 -0.261 -12.881 3.960 -27.633 0.000 0.252 169 G C 0.179 174.962 174.900 -0.195 0.000 1.024 169 G CA 0.681 45.691 45.100 -0.150 0.000 0.755 169 G HN 0.808 nan 8.290 nan 0.000 0.507 170 M N -2.707 116.726 119.600 -0.278 0.000 2.833 170 M HA 0.631 -11.469 4.480 -27.633 0.000 0.270 170 M C -1.623 174.423 176.300 -0.424 0.000 1.209 170 M CA -1.153 53.965 55.300 -0.303 0.000 0.826 170 M CB 1.345 33.846 32.600 -0.165 0.000 1.657 170 M HN 0.025 nan 8.290 nan 0.000 0.492 171 H N 1.661 120.703 119.070 -0.047 0.000 2.511 171 H HA 0.398 -11.625 4.556 -27.633 0.000 0.328 171 H C -0.434 174.867 175.328 -0.046 0.000 1.044 171 H CA -0.093 55.921 56.048 -0.057 0.000 1.212 171 H CB 1.744 31.482 29.762 -0.040 0.000 1.428 171 H HN 0.850 nan 8.280 nan 0.000 0.483 172 T N 0.239 114.776 114.554 -0.027 0.000 2.900 172 T HA 0.001 -12.228 4.350 -27.633 0.000 0.307 172 T C 0.920 175.624 174.700 0.007 0.000 1.065 172 T CA -0.261 61.776 62.100 -0.105 0.000 1.105 172 T CB 1.595 70.060 68.868 -0.672 0.000 0.979 172 T HN 0.548 nan 8.240 nan 0.000 0.544 173 N N 0.954 119.735 118.700 0.136 0.000 3.251 173 N HA 0.152 -11.688 4.740 -27.633 0.000 0.227 173 N C -0.167 175.392 175.510 0.080 0.000 1.084 173 N CA 0.245 53.368 53.050 0.122 0.000 1.167 173 N CB 0.767 39.302 38.487 0.079 0.000 1.548 173 N HN 0.854 nan 8.380 nan 0.000 0.592 174 Q N -1.079 118.682 119.800 -0.064 0.000 2.615 174 Q HA 0.488 -11.752 4.340 -27.633 0.000 0.298 174 Q C -1.555 174.221 176.000 -0.374 0.000 1.023 174 Q CA -0.907 54.365 55.803 -0.884 0.000 0.768 174 Q CB 2.845 30.985 28.738 -0.996 0.000 1.500 174 Q HN 0.299 nan 8.270 nan 0.000 0.441 175 F N -1.194 118.236 119.950 -0.866 0.000 2.693 175 F HA 0.802 -11.252 4.527 -27.635 0.000 0.309 175 F C -2.371 173.215 175.800 -0.356 0.000 1.129 175 F CA -0.900 56.845 58.000 -0.426 0.000 0.948 175 F CB 1.228 39.953 39.000 -0.458 0.000 1.315 175 F HN 0.441 nan 8.300 nan 0.000 0.447 176 L N 1.475 122.490 121.223 -0.347 0.000 2.403 176 L HA 0.790 -11.450 4.340 -27.633 0.000 0.253 176 L C 0.309 177.053 176.870 -0.211 0.000 1.045 176 L CA -1.234 53.320 54.840 -0.478 0.000 0.845 176 L CB 2.175 43.788 42.059 -0.745 0.000 1.447 176 L HN 1.066 nan 8.230 nan 0.000 0.411 177 G N -0.774 107.877 108.800 -0.250 0.000 2.606 177 G HA2 0.360 -12.260 3.960 -27.633 0.000 0.252 177 G HA3 0.360 -12.260 3.960 -27.633 0.000 0.252 177 G C 0.811 175.694 174.900 -0.029 0.000 1.206 177 G CA 0.176 45.195 45.100 -0.134 0.000 0.861 177 G HN 0.846 nan 8.290 nan 0.000 0.561 178 G N -0.955 107.895 108.800 0.083 0.000 2.848 178 G HA2 0.509 -12.111 3.960 -27.633 0.000 0.208 178 G HA3 0.509 -12.111 3.960 -27.633 0.000 0.208 178 G C 0.874 175.816 174.900 0.070 0.000 1.152 178 G CA 1.250 46.413 45.100 0.105 0.000 0.789 178 G HN 2.121 nan 8.290 nan 0.000 0.531 179 A N -2.691 120.161 122.820 0.054 0.000 2.528 179 A HA 0.466 -11.793 4.320 -27.633 0.000 0.683 179 A C 1.379 179.017 177.584 0.090 0.000 0.213 179 A CA 0.584 52.653 52.037 0.053 0.000 0.072 179 A CB -1.098 17.922 19.000 0.034 0.000 3.954 179 A HN 2.419 nan 8.150 nan 0.000 0.547 180 G N -1.799 107.058 108.800 0.095 0.000 2.528 180 G HA2 0.228 -12.392 3.960 -27.633 0.000 0.262 180 G HA3 0.228 -12.392 3.960 -27.633 0.000 0.262 180 G C 0.277 175.274 174.900 0.161 0.000 1.200 180 G CA 0.593 45.764 45.100 0.118 0.000 0.951 180 G HN 2.356 nan 8.290 nan 0.000 0.566 181 V N 1.171 121.189 119.914 0.174 0.000 2.448 181 V HA 0.751 -11.709 4.120 -27.633 0.000 0.295 181 V C 0.944 177.157 176.094 0.198 0.000 1.025 181 V CA 0.269 62.684 62.300 0.192 0.000 0.859 181 V CB 0.721 32.648 31.823 0.174 0.000 0.988 181 V HN 1.803 nan 8.190 nan 0.000 0.431 182 A N 5.623 128.569 122.820 0.209 0.000 2.717 182 A HA 1.001 -11.259 4.320 -27.633 0.000 0.262 182 A C -0.252 177.374 177.584 0.071 0.000 1.483 182 A CA -0.504 51.631 52.037 0.164 0.000 0.889 182 A CB 0.903 20.019 19.000 0.194 0.000 1.604 182 A HN 1.059 nan 8.150 nan 0.000 0.523 183 I N -3.940 116.633 120.570 0.004 0.000 3.191 183 I HA 0.735 -11.675 4.170 -27.633 0.000 0.313 183 I C -1.338 174.736 176.117 -0.071 0.000 1.193 183 I CA -1.141 60.152 61.300 -0.012 0.000 0.968 183 I CB 2.024 40.033 38.000 0.016 0.000 1.262 183 I HN 0.250 nan 8.210 nan 0.000 0.456 184 V N 2.946 122.827 119.914 -0.055 0.000 2.370 184 V HA 0.682 -11.778 4.120 -27.633 0.000 0.283 184 V C 0.820 176.877 176.094 -0.062 0.000 1.023 184 V CA -0.344 61.906 62.300 -0.083 0.000 0.857 184 V CB 0.949 32.730 31.823 -0.070 0.000 0.985 184 V HN 0.957 nan 8.190 nan 0.000 0.443 185 A N 3.859 126.633 122.820 -0.077 0.000 2.366 185 A HA 0.368 -11.892 4.320 -27.633 0.000 0.250 185 A C 1.541 179.086 177.584 -0.065 0.000 1.099 185 A CA 0.415 52.410 52.037 -0.070 0.000 0.794 185 A CB 0.213 19.157 19.000 -0.094 0.000 1.056 185 A HN 1.202 nan 8.150 nan 0.000 0.499 186 S N 0.007 115.671 115.700 -0.061 0.000 2.555 186 S HA -0.121 -12.231 4.470 -27.633 0.000 0.230 186 S C 0.873 175.437 174.600 -0.060 0.000 0.978 186 S CA 0.954 59.120 58.200 -0.056 0.000 0.934 186 S CB -0.471 62.695 63.200 -0.056 0.000 0.766 186 S HN 0.876 nan 8.310 nan 0.000 0.533 187 N N 0.702 119.360 118.700 -0.070 0.000 2.270 187 N HA 0.261 -11.579 4.740 -27.633 0.000 0.198 187 N C 1.231 176.695 175.510 -0.076 0.000 1.117 187 N CA 0.576 53.584 53.050 -0.070 0.000 0.845 187 N CB -0.151 38.290 38.487 -0.076 0.000 0.980 187 N HN 0.525 nan 8.380 nan 0.000 0.486 188 G N 0.088 108.839 108.800 -0.081 0.000 2.268 188 G HA2 -0.302 -12.921 3.960 -27.633 0.000 0.240 188 G HA3 -0.302 -12.921 3.960 -27.633 0.000 0.240 188 G C -0.181 174.641 174.900 -0.130 0.000 1.010 188 G CA -0.099 44.944 45.100 -0.095 0.000 0.618 188 G HN 0.475 nan 8.290 nan 0.000 0.516 189 N N 0.988 119.611 118.700 -0.127 0.000 2.356 189 N HA 0.341 -11.499 4.740 -27.633 0.000 0.252 189 N C 0.657 176.061 175.510 -0.177 0.000 1.241 189 N CA 0.338 53.300 53.050 -0.147 0.000 0.861 189 N CB 0.355 38.785 38.487 -0.097 0.000 1.075 189 N HN 0.454 nan 8.380 nan 0.000 0.461 190 L N 1.725 122.787 121.223 -0.268 0.000 2.331 190 L HA 0.330 -11.910 4.340 -27.633 0.000 0.278 190 L C -0.263 176.539 176.870 -0.114 0.000 1.106 190 L CA -0.593 54.078 54.840 -0.281 0.000 0.824 190 L CB 0.667 42.477 42.059 -0.415 0.000 1.142 190 L HN 0.129 nan 8.230 nan 0.000 0.443 191 V N 4.116 123.968 119.914 -0.102 0.000 2.443 191 V HA 0.346 -12.114 4.120 -27.633 0.000 0.293 191 V C -0.942 175.185 176.094 0.055 0.000 1.021 191 V CA -0.578 61.752 62.300 0.050 0.000 0.848 191 V CB 1.436 33.274 31.823 0.026 0.000 0.998 191 V HN 0.445 nan 8.190 nan 0.000 0.424 192 Y N 6.267 126.754 120.300 0.311 0.000 2.328 192 Y HA 0.479 -11.552 4.550 -27.635 0.000 0.336 192 Y C -2.201 173.881 175.900 0.303 0.000 0.960 192 Y CA -2.559 55.717 58.100 0.293 0.000 1.134 192 Y CB 2.886 41.543 38.460 0.328 0.000 1.166 192 Y HN 0.425 nan 8.280 nan 0.000 0.464 193 P HA 0.154 nan 4.420 nan 0.000 0.287 193 P C -0.945 176.564 177.300 0.348 0.000 1.281 193 P CA -0.148 63.176 63.100 0.373 0.000 0.781 193 P CB 1.570 33.455 31.700 0.309 0.000 0.903 194 V N 1.628 121.747 119.914 0.341 0.000 2.864 194 V HA 0.602 -11.858 4.120 -27.633 0.000 0.314 194 V C -0.336 175.890 176.094 0.219 0.000 1.073 194 V CA -1.087 61.370 62.300 0.262 0.000 0.956 194 V CB 1.874 33.855 31.823 0.263 0.000 1.023 194 V HN 0.556 nan 8.190 nan 0.000 0.435 195 Q N 2.123 122.028 119.800 0.175 0.000 2.293 195 Q HA 0.827 -11.413 4.340 -27.633 0.000 0.261 195 Q C -1.290 174.817 176.000 0.177 0.000 0.960 195 Q CA -0.755 55.145 55.803 0.163 0.000 0.882 195 Q CB 2.067 30.967 28.738 0.271 0.000 1.275 195 Q HN 0.635 nan 8.270 nan 0.000 0.445 196 V N 1.683 121.525 119.914 -0.121 0.000 2.914 196 V HA 0.616 -11.843 4.120 -27.633 0.000 0.314 196 V C 0.013 175.835 176.094 -0.453 0.000 1.084 196 V CA -0.675 61.486 62.300 -0.232 0.000 0.963 196 V CB 1.981 33.489 31.823 -0.525 0.000 1.025 196 V HN 1.036 nan 8.190 nan 0.000 0.432 197 T N 0.162 114.664 114.554 -0.086 0.000 2.932 197 T HA 0.720 -11.510 4.350 -27.633 0.000 0.289 197 T C -0.577 174.239 174.700 0.193 0.000 1.039 197 T CA -0.864 61.214 62.100 -0.036 0.000 1.024 197 T CB 2.044 70.813 68.868 -0.165 0.000 1.090 197 T HN 0.800 nan 8.240 nan 0.000 0.496 198 N N -0.105 118.748 118.700 0.255 0.000 2.815 198 N HA 0.425 -11.415 4.740 -27.633 0.000 0.315 198 N C 0.495 176.061 175.510 0.094 0.000 1.320 198 N CA -1.211 51.968 53.050 0.214 0.000 0.846 198 N CB 0.588 39.208 38.487 0.221 0.000 1.344 198 N HN 0.325 nan 8.380 nan 0.000 0.593 199 K N 0.050 120.500 120.400 0.083 0.000 2.442 199 K HA 0.015 -12.245 4.320 -27.633 0.000 0.198 199 K C 0.353 176.962 176.600 0.015 0.000 1.042 199 K CA 0.813 57.132 56.287 0.054 0.000 0.958 199 K CB -0.200 32.345 32.500 0.074 0.000 0.766 199 K HN 0.592 nan 8.250 nan 0.000 0.474 200 K N 0.609 121.002 120.400 -0.012 0.000 2.417 200 K HA 0.083 -12.176 4.320 -27.633 0.000 0.196 200 K C -0.103 176.455 176.600 -0.071 0.000 1.023 200 K CA -0.045 56.207 56.287 -0.059 0.000 1.122 200 K CB 0.230 32.658 32.500 -0.120 0.000 0.850 200 K HN 0.012 nan 8.250 nan 0.000 0.521 201 K N 0.694 121.066 120.400 -0.046 0.000 3.281 201 K HA -0.218 -12.478 4.320 -27.633 0.000 0.295 201 K C -0.694 175.856 176.600 -0.085 0.000 1.233 201 K CA 0.727 56.971 56.287 -0.072 0.000 0.866 201 K CB -1.417 31.039 32.500 -0.072 0.000 1.265 201 K HN 0.376 nan 8.250 nan 0.000 0.482 202 Q N 0.468 120.236 119.800 -0.053 0.000 2.259 202 Q HA 0.455 -11.785 4.340 -27.633 0.000 0.246 202 Q C -0.019 176.097 176.000 0.194 0.000 0.920 202 Q CA -0.522 55.274 55.803 -0.011 0.000 0.895 202 Q CB 1.814 30.377 28.738 -0.293 0.000 1.220 202 Q HN -0.002 nan 8.270 nan 0.000 0.439 203 V N 3.044 123.099 119.914 0.233 0.000 2.581 203 V HA 0.675 -11.784 4.120 -27.633 0.000 0.303 203 V C -0.659 175.673 176.094 0.396 0.000 1.041 203 V CA -0.653 61.742 62.300 0.158 0.000 0.907 203 V CB 0.832 32.664 31.823 0.015 0.000 0.994 203 V HN 0.719 nan 8.190 nan 0.000 0.442 204 F N 0.485 120.527 119.950 0.153 0.000 2.703 204 F HA 0.754 -11.300 4.527 -27.634 0.000 0.308 204 F C -0.551 175.259 175.800 0.017 0.000 1.126 204 F CA -0.831 57.178 58.000 0.016 0.000 0.959 204 F CB 1.234 40.145 39.000 -0.149 0.000 1.297 204 F HN 0.250 nan 8.300 nan 0.000 0.441 205 S N 1.807 117.523 115.700 0.026 0.000 2.578 205 S HA 0.700 -11.409 4.470 -27.633 0.000 0.283 205 S C -0.681 173.933 174.600 0.024 0.000 1.195 205 S CA -0.857 57.386 58.200 0.073 0.000 1.050 205 S CB 1.473 64.815 63.200 0.236 0.000 1.012 205 S HN 0.539 nan 8.310 nan 0.000 0.511 206 K N 0.948 121.539 120.400 0.319 0.000 2.495 206 K HA 0.506 -11.754 4.320 -27.633 0.000 0.268 206 K C -1.386 175.629 176.600 0.691 0.000 1.008 206 K CA -0.831 55.762 56.287 0.510 0.000 0.882 206 K CB 1.389 34.194 32.500 0.508 0.000 1.443 206 K HN 0.351 nan 8.250 nan 0.000 0.447 207 I N 2.032 123.039 120.570 0.729 0.000 2.339 207 I HA 0.299 -12.111 4.170 -27.633 0.000 0.290 207 I C -0.634 175.814 176.117 0.552 0.000 0.994 207 I CA -0.371 61.261 61.300 0.554 0.000 1.191 207 I CB 0.499 38.740 38.000 0.402 0.000 1.343 207 I HN 0.495 nan 8.210 nan 0.000 0.458 208 F N 9.572 129.665 119.950 0.239 0.000 2.403 208 F HA 0.492 -11.562 4.527 -27.634 0.000 0.355 208 F C -0.828 175.196 175.800 0.373 0.000 1.119 208 F CA -0.664 57.318 58.000 -0.030 0.000 1.007 208 F CB 0.714 39.565 39.000 -0.248 0.000 1.194 208 F HN 0.448 nan 8.300 nan 0.000 0.443 209 Y N 2.392 122.654 120.300 -0.064 0.000 2.634 209 Y HA 0.762 -11.268 4.550 -27.633 0.000 0.340 209 Y C -1.319 174.275 175.900 -0.511 0.000 1.058 209 Y CA -1.756 56.283 58.100 -0.103 0.000 1.081 209 Y CB 1.442 39.847 38.460 -0.091 0.000 1.295 209 Y HN 0.317 nan 8.280 nan 0.000 0.487 210 S N 0.099 115.358 115.700 -0.734 0.000 2.557 210 S HA 0.375 -11.735 4.470 -27.633 0.000 0.291 210 S C -0.528 173.743 174.600 -0.549 0.000 1.116 210 S CA -0.638 56.900 58.200 -1.103 0.000 0.992 210 S CB 1.229 63.222 63.200 -2.011 0.000 1.028 210 S HN 0.842 nan 8.310 nan 0.000 0.484 211 E N 1.793 121.748 120.200 -0.409 0.000 2.472 211 E HA 0.057 -12.172 4.350 -27.633 0.000 0.196 211 E C -0.505 175.947 176.600 -0.246 0.000 1.033 211 E CA 0.215 56.478 56.400 -0.229 0.000 0.886 211 E CB 0.193 29.820 29.700 -0.121 0.000 0.944 211 E HN 0.725 nan 8.360 nan 0.000 0.492 212 D N 0.364 120.563 120.400 -0.334 0.000 3.068 212 D HA 0.053 -11.887 4.640 -27.633 0.000 0.327 212 D C -0.320 175.829 176.300 -0.252 0.000 1.361 212 D CA -0.407 53.444 54.000 -0.249 0.000 0.877 212 D CB 0.156 40.832 40.800 -0.206 0.000 1.088 212 D HN -0.214 nan 8.370 nan 0.000 0.489 213 E N -0.186 119.849 120.200 -0.276 0.000 3.065 213 E HA -0.225 -12.454 4.350 -27.633 0.000 0.277 213 E C 1.187 177.671 176.600 -0.193 0.000 1.008 213 E CA 1.276 57.543 56.400 -0.222 0.000 0.864 213 E CB -1.914 27.753 29.700 -0.056 0.000 1.439 213 E HN 0.901 nan 8.360 nan 0.000 0.445 214 G N -0.848 107.711 108.800 -0.401 0.000 2.168 214 G HA2 -0.292 -12.912 3.960 -27.633 0.000 0.197 214 G HA3 -0.292 -12.912 3.960 -27.633 0.000 0.197 214 G C 0.895 175.779 174.900 -0.027 0.000 0.997 214 G CA 0.409 45.393 45.100 -0.193 0.000 0.658 214 G HN 0.154 nan 8.290 nan 0.000 0.513 215 K N 0.618 120.916 120.400 -0.170 0.000 2.098 215 K HA 0.167 -12.092 4.320 -27.633 0.000 0.203 215 K C 1.498 178.028 176.600 -0.116 0.000 1.051 215 K CA 1.737 58.016 56.287 -0.014 0.000 0.957 215 K CB -0.495 32.005 32.500 -0.000 0.000 0.738 215 K HN 0.835 nan 8.250 nan 0.000 0.447 216 T N -2.337 111.900 114.554 -0.528 0.000 2.916 216 T HA 0.638 -11.592 4.350 -27.633 0.000 0.292 216 T C -1.047 172.797 174.700 -1.427 0.000 1.055 216 T CA -0.926 60.632 62.100 -0.904 0.000 1.009 216 T CB 1.574 70.223 68.868 -0.364 0.000 1.118 216 T HN 0.103 nan 8.240 nan 0.000 0.497 217 W N 0.210 120.613 121.300 -1.496 0.000 3.032 217 W HA 0.693 -11.227 4.660 -27.634 0.000 0.335 217 W C -0.437 175.636 176.519 -0.743 0.000 1.154 217 W CA -0.822 55.832 57.345 -1.152 0.000 1.204 217 W CB 2.157 30.776 29.460 -1.402 0.000 1.416 217 W HN 0.673 nan 8.180 nan 0.000 0.521 218 K N 1.291 121.292 120.400 -0.665 0.000 2.443 218 K HA 0.671 -11.588 4.320 -27.633 0.000 0.251 218 K C -1.580 174.834 176.600 -0.311 0.000 0.972 218 K CA -1.110 54.946 56.287 -0.386 0.000 0.833 218 K CB 2.345 34.508 32.500 -0.561 0.000 1.317 218 K HN 0.192 nan 8.250 nan 0.000 0.441 219 F N 0.408 120.469 119.950 0.185 0.000 2.443 219 F HA 0.362 -11.692 4.527 -27.634 0.000 0.335 219 F C 1.101 177.133 175.800 0.387 0.000 1.104 219 F CA -0.340 57.873 58.000 0.355 0.000 1.013 219 F CB 1.732 40.919 39.000 0.312 0.000 1.136 219 F HN 0.613 nan 8.300 nan 0.000 0.470 220 G N 2.075 111.273 108.800 0.662 0.000 2.491 220 G HA2 0.081 -12.539 3.960 -27.633 0.000 0.242 220 G HA3 0.081 -12.539 3.960 -27.633 0.000 0.242 220 G C 0.773 175.928 174.900 0.426 0.000 1.266 220 G CA -0.446 44.973 45.100 0.531 0.000 0.844 220 G HN 0.826 nan 8.290 nan 0.000 0.571 221 K N 1.240 121.824 120.400 0.306 0.000 2.147 221 K HA -0.024 -12.284 4.320 -27.633 0.000 0.205 221 K C 1.445 178.126 176.600 0.134 0.000 1.049 221 K CA 0.921 57.328 56.287 0.200 0.000 0.936 221 K CB -0.303 32.285 32.500 0.146 0.000 0.722 221 K HN 0.515 nan 8.250 nan 0.000 0.446 222 G N 0.744 109.659 108.800 0.191 0.000 2.588 222 G HA2 0.365 -12.255 3.960 -27.633 0.000 0.281 222 G HA3 0.365 -12.254 3.960 -27.633 0.000 0.281 222 G C -0.742 173.900 174.900 -0.430 0.000 1.236 222 G CA -0.633 44.461 45.100 -0.010 0.000 0.969 222 G HN 0.472 nan 8.290 nan 0.000 0.504 223 R N -2.228 117.654 120.500 -1.030 0.000 2.733 223 R HA 0.610 -11.629 4.340 -27.633 0.000 0.272 223 R C -0.181 175.121 176.300 -1.664 0.000 1.029 223 R CA -0.474 54.763 56.100 -1.437 0.000 0.888 223 R CB 0.672 30.576 30.300 -0.661 0.000 1.251 223 R HN 0.719 nan 8.270 nan 0.000 0.464 224 S N 0.561 115.350 115.700 -1.518 0.000 2.652 224 S HA 0.682 -11.427 4.470 -27.633 0.000 0.267 224 S C 0.589 174.844 174.600 -0.575 0.000 1.201 224 S CA -0.384 57.169 58.200 -1.077 0.000 0.996 224 S CB 0.904 63.698 63.200 -0.676 0.000 1.054 224 S HN 0.851 nan 8.310 nan 0.000 0.561 225 A N -0.079 122.595 122.820 -0.243 0.000 2.327 225 A HA 0.573 -11.687 4.320 -27.633 0.000 0.255 225 A C -0.139 177.336 177.584 -0.183 0.000 1.099 225 A CA -0.703 51.207 52.037 -0.211 0.000 0.801 225 A CB -0.514 18.514 19.000 0.046 0.000 1.062 225 A HN 0.673 nan 8.150 nan 0.000 0.496 226 F N -0.332 119.646 119.950 0.047 0.000 2.459 226 F HA 0.431 -11.621 4.527 -27.633 0.000 0.346 226 F C 1.661 177.524 175.800 0.106 0.000 1.128 226 F CA 1.514 59.574 58.000 0.100 0.000 1.268 226 F CB 0.765 39.797 39.000 0.055 0.000 1.161 226 F HN 0.874 nan 8.300 nan 0.000 0.583 227 G N 0.351 109.341 108.800 0.318 0.000 2.195 227 G HA2 -0.252 -12.871 3.960 -27.633 0.000 0.224 227 G HA3 -0.252 -12.871 3.960 -27.633 0.000 0.224 227 G C -0.434 174.581 174.900 0.192 0.000 0.990 227 G CA -0.407 44.823 45.100 0.216 0.000 0.639 227 G HN 0.729 nan 8.290 nan 0.000 0.514 228 C N 3.145 122.563 119.300 0.197 0.000 2.256 228 C HA 0.759 -11.361 4.460 -27.633 0.000 0.333 228 C C 1.105 176.203 174.990 0.180 0.000 1.183 228 C CA 0.048 59.181 59.018 0.193 0.000 1.692 228 C CB -0.374 27.490 27.740 0.206 0.000 2.274 228 C HN 0.838 nan 8.230 nan 0.000 0.509 229 S N 1.347 117.156 115.700 0.182 0.000 2.759 229 S HA 0.551 -11.558 4.470 -27.633 0.000 0.310 229 S C -0.224 174.486 174.600 0.184 0.000 1.123 229 S CA -0.602 57.713 58.200 0.192 0.000 0.959 229 S CB 0.396 63.718 63.200 0.203 0.000 1.172 229 S HN 0.731 nan 8.310 nan 0.000 0.539 230 E N 1.327 121.636 120.200 0.182 0.000 2.103 230 E HA -0.138 -12.368 4.350 -27.633 0.000 0.186 230 E C -2.169 174.516 176.600 0.143 0.000 1.392 230 E CA 0.360 56.837 56.400 0.130 0.000 0.691 230 E CB -1.488 28.246 29.700 0.056 0.000 1.068 230 E HN 0.508 nan 8.360 nan 0.000 0.328 231 P HA 0.107 nan 4.420 nan 0.000 0.271 231 P C -0.413 177.019 177.300 0.219 0.000 1.218 231 P CA -0.014 63.221 63.100 0.225 0.000 0.780 231 P CB 1.533 33.408 31.700 0.292 0.000 0.901 232 V N 1.735 121.790 119.914 0.235 0.000 2.638 232 V HA 0.745 -11.715 4.120 -27.633 0.000 0.306 232 V C -0.865 175.448 176.094 0.365 0.000 1.052 232 V CA -0.662 61.806 62.300 0.280 0.000 0.885 232 V CB 1.518 33.512 31.823 0.285 0.000 0.999 232 V HN 0.876 nan 8.190 nan 0.000 0.424 233 A N 6.078 129.094 122.820 0.327 0.000 2.430 233 A HA 1.039 -11.221 4.320 -27.633 0.000 0.300 233 A C -1.282 176.417 177.584 0.191 0.000 1.124 233 A CA -0.603 51.614 52.037 0.301 0.000 0.766 233 A CB 1.878 20.988 19.000 0.183 0.000 1.328 233 A HN 1.752 nan 8.150 nan 0.000 0.424 234 L N -2.141 119.149 121.223 0.111 0.000 2.491 234 L HA 0.835 -11.405 4.340 -27.633 0.000 0.254 234 L C -0.579 176.322 176.870 0.052 0.000 1.048 234 L CA -0.604 54.235 54.840 -0.002 0.000 0.855 234 L CB 1.591 43.504 42.059 -0.243 0.000 1.466 234 L HN 0.739 nan 8.230 nan 0.000 0.409 235 E N 0.756 120.993 120.200 0.062 0.000 2.166 235 E HA 0.356 -11.874 4.350 -27.633 0.000 0.275 235 E C -2.048 174.665 176.600 0.188 0.000 0.941 235 E CA -0.712 55.739 56.400 0.084 0.000 0.784 235 E CB 1.471 31.185 29.700 0.024 0.000 1.115 235 E HN 0.686 nan 8.360 nan 0.000 0.399 236 W N 5.338 126.618 121.300 -0.035 0.000 2.884 236 W HA 0.183 -11.717 4.660 -27.601 0.000 0.336 236 W C -0.952 175.556 176.519 -0.018 0.000 1.038 236 W CA -0.492 56.840 57.345 -0.022 0.000 1.247 236 W CB 0.995 30.451 29.460 -0.007 0.000 1.351 236 W HN 0.787 nan 8.180 nan 0.000 0.446 237 E N 3.309 123.274 120.200 -0.392 0.000 2.199 237 E HA -0.220 -12.450 4.350 -27.633 0.000 0.208 237 E C 1.014 177.554 176.600 -0.099 0.000 1.310 237 E CA 1.194 57.421 56.400 -0.288 0.000 0.709 237 E CB -1.240 28.265 29.700 -0.326 0.000 1.127 237 E HN 0.954 nan 8.360 nan 0.000 0.354 238 G N 0.043 108.795 108.800 -0.079 0.000 2.148 238 G HA2 -0.357 -12.977 3.960 -27.633 0.000 0.254 238 G HA3 -0.357 -12.977 3.960 -27.633 0.000 0.254 238 G C 0.058 174.944 174.900 -0.024 0.000 0.981 238 G CA 0.922 45.992 45.100 -0.050 0.000 0.670 238 G HN 0.322 nan 8.290 nan 0.000 0.528 239 K N -0.899 119.509 120.400 0.013 0.000 2.477 239 K HA 0.709 -11.551 4.320 -27.633 0.000 0.255 239 K C -0.109 176.511 176.600 0.032 0.000 0.952 239 K CA -1.004 55.294 56.287 0.018 0.000 0.826 239 K CB 1.915 34.448 32.500 0.055 0.000 1.331 239 K HN 0.076 nan 8.250 nan 0.000 0.437 240 L N 3.032 124.242 121.223 -0.021 0.000 2.312 240 L HA 0.466 -11.774 4.340 -27.633 0.000 0.281 240 L C -0.377 176.498 176.870 0.009 0.000 1.070 240 L CA -0.556 54.272 54.840 -0.019 0.000 0.805 240 L CB 0.612 42.611 42.059 -0.101 0.000 1.174 240 L HN 0.397 nan 8.230 nan 0.000 0.434 241 I N 4.698 125.326 120.570 0.096 0.000 2.382 241 I HA 0.335 -12.075 4.170 -27.633 0.000 0.286 241 I C -0.602 175.663 176.117 0.247 0.000 1.002 241 I CA -0.412 60.987 61.300 0.165 0.000 1.135 241 I CB 1.664 39.811 38.000 0.246 0.000 1.288 241 I HN 0.434 nan 8.210 nan 0.000 0.448 242 I N 6.155 126.815 120.570 0.150 0.000 2.328 242 I HA 0.254 -12.155 4.170 -27.633 0.000 0.287 242 I C 0.180 176.418 176.117 0.202 0.000 1.012 242 I CA -0.245 61.161 61.300 0.177 0.000 1.195 242 I CB 0.784 38.790 38.000 0.010 0.000 1.350 242 I HN 0.475 nan 8.210 nan 0.000 0.464 243 N N 5.287 124.056 118.700 0.115 0.000 2.414 243 N HA 0.261 -11.579 4.740 -27.633 0.000 0.256 243 N C -0.602 174.949 175.510 0.068 0.000 1.029 243 N CA -0.100 52.887 53.050 -0.106 0.000 0.948 243 N CB 1.208 39.314 38.487 -0.635 0.000 1.102 243 N HN 0.702 nan 8.380 nan 0.000 0.496 244 T N 0.410 115.040 114.554 0.126 0.000 2.888 244 T HA 0.410 -11.820 4.350 -27.633 0.000 0.284 244 T C 0.241 175.029 174.700 0.148 0.000 1.017 244 T CA -0.986 61.225 62.100 0.186 0.000 1.022 244 T CB 1.846 70.884 68.868 0.284 0.000 1.013 244 T HN 0.462 nan 8.240 nan 0.000 0.465 245 R N 1.746 122.341 120.500 0.159 0.000 2.340 245 R HA 0.547 -11.693 4.340 -27.633 0.000 0.300 245 R C -1.416 174.972 176.300 0.147 0.000 1.069 245 R CA -0.539 55.654 56.100 0.155 0.000 0.984 245 R CB 0.470 30.855 30.300 0.140 0.000 1.003 245 R HN 0.581 nan 8.270 nan 0.000 0.459 246 V N 4.791 124.779 119.914 0.123 0.000 2.398 246 V HA 0.127 -12.333 4.120 -27.633 0.000 0.282 246 V C -0.826 175.321 176.094 0.088 0.000 1.014 246 V CA -1.039 61.333 62.300 0.119 0.000 0.838 246 V CB 1.363 33.250 31.823 0.107 0.000 1.018 246 V HN 0.819 nan 8.190 nan 0.000 0.432 247 D N 3.833 124.288 120.400 0.092 0.000 2.487 247 D HA 0.173 -11.767 4.640 -27.633 0.000 0.243 247 D C 0.478 176.821 176.300 0.071 0.000 1.154 247 D CA 0.782 54.760 54.000 -0.038 0.000 0.876 247 D CB 0.262 41.082 40.800 0.033 0.000 1.161 247 D HN 0.660 nan 8.370 nan 0.000 0.478 248 Y N -0.260 120.043 120.300 0.005 0.000 4.668 248 Y HA -0.324 -12.350 4.550 -27.627 0.000 0.234 248 Y C 0.778 176.681 175.900 0.004 0.000 1.056 248 Y CA 0.674 58.767 58.100 -0.011 0.000 2.025 248 Y CB -1.096 37.352 38.460 -0.020 0.000 1.613 248 Y HN 0.339 nan 8.280 nan 0.000 0.653 249 R N -0.378 120.180 120.500 0.096 0.000 2.795 249 R HA 0.570 -11.670 4.340 -27.633 0.000 0.268 249 R C -0.215 176.095 176.300 0.017 0.000 1.041 249 R CA -1.266 54.873 56.100 0.065 0.000 0.927 249 R CB 1.077 31.424 30.300 0.079 0.000 1.235 249 R HN 0.103 nan 8.270 nan 0.000 0.463 250 R N 1.318 121.810 120.500 -0.013 0.000 2.490 250 R HA 0.255 -11.985 4.340 -27.633 0.000 0.280 250 R C 0.106 176.372 176.300 -0.057 0.000 1.077 250 R CA -0.392 55.671 56.100 -0.061 0.000 1.065 250 R CB 0.613 30.843 30.300 -0.117 0.000 1.003 250 R HN 0.218 nan 8.270 nan 0.000 0.470 251 R N 2.517 122.979 120.500 -0.063 0.000 2.458 251 R HA 0.036 -12.204 4.340 -27.633 0.000 0.303 251 R C -0.126 176.121 176.300 -0.089 0.000 1.013 251 R CA 0.149 56.227 56.100 -0.038 0.000 1.026 251 R CB 0.187 30.472 30.300 -0.026 0.000 0.948 251 R HN 0.327 nan 8.270 nan 0.000 0.417 252 L N 3.544 124.745 121.223 -0.038 0.000 2.312 252 L HA 0.383 -11.857 4.340 -27.633 0.000 0.281 252 L C -0.222 176.583 176.870 -0.108 0.000 1.070 252 L CA -0.705 54.065 54.840 -0.116 0.000 0.805 252 L CB 1.464 43.513 42.059 -0.016 0.000 1.174 252 L HN 0.293 nan 8.230 nan 0.000 0.434 253 V N 3.042 122.783 119.914 -0.288 0.000 2.588 253 V HA 0.464 -11.996 4.120 -27.633 0.000 0.304 253 V C -0.949 174.954 176.094 -0.319 0.000 1.042 253 V CA -0.637 61.559 62.300 -0.174 0.000 0.877 253 V CB 1.792 33.509 31.823 -0.176 0.000 0.996 253 V HN 0.427 nan 8.190 nan 0.000 0.425 254 Y N 1.551 121.881 120.300 0.050 0.000 2.562 254 Y HA 0.661 -11.366 4.550 -27.628 0.000 0.343 254 Y C 0.263 176.134 175.900 -0.048 0.000 1.025 254 Y CA -0.990 57.142 58.100 0.052 0.000 1.082 254 Y CB 1.861 40.444 38.460 0.205 0.000 1.264 254 Y HN 0.546 nan 8.280 nan 0.000 0.478 255 E N 0.414 120.676 120.200 0.103 0.000 2.266 255 E HA 0.594 -11.635 4.350 -27.633 0.000 0.268 255 E C -1.378 175.174 176.600 -0.079 0.000 0.879 255 E CA -0.929 55.472 56.400 0.002 0.000 0.762 255 E CB 2.420 32.138 29.700 0.029 0.000 1.199 255 E HN 0.381 nan 8.360 nan 0.000 0.422 256 S N 0.742 116.346 115.700 -0.160 0.000 2.619 256 S HA 0.267 -11.843 4.470 -27.633 0.000 0.280 256 S C -0.091 174.444 174.600 -0.109 0.000 1.150 256 S CA -0.502 57.584 58.200 -0.190 0.000 0.978 256 S CB 1.426 64.371 63.200 -0.424 0.000 1.041 256 S HN 0.402 nan 8.310 nan 0.000 0.485 257 S N 2.250 117.914 115.700 -0.060 0.000 2.486 257 S HA 0.051 -12.059 4.470 -27.633 0.000 0.220 257 S C 0.285 174.849 174.600 -0.060 0.000 1.011 257 S CA 0.307 58.479 58.200 -0.046 0.000 0.921 257 S CB -0.079 63.109 63.200 -0.019 0.000 0.785 257 S HN 0.893 nan 8.310 nan 0.000 0.517 258 D N 0.172 120.537 120.400 -0.058 0.000 3.035 258 D HA 0.393 -11.547 4.640 -27.633 0.000 0.290 258 D C 0.200 176.439 176.300 -0.102 0.000 1.360 258 D CA -0.541 53.424 54.000 -0.059 0.000 0.862 258 D CB -0.072 40.724 40.800 -0.006 0.000 1.078 258 D HN -0.104 nan 8.370 nan 0.000 0.487 259 M N 0.857 120.348 119.600 -0.181 0.000 2.302 259 M HA -0.137 -12.237 4.480 -27.633 0.000 0.200 259 M C 1.115 177.341 176.300 -0.124 0.000 0.366 259 M CA 0.830 55.946 55.300 -0.308 0.000 0.440 259 M CB -1.534 30.677 32.600 -0.649 0.000 1.475 259 M HN 0.877 nan 8.290 nan 0.000 0.905 260 G N -1.178 107.599 108.800 -0.039 0.000 2.176 260 G HA2 -0.340 -12.960 3.960 -27.633 0.000 0.253 260 G HA3 -0.340 -12.960 3.960 -27.633 0.000 0.253 260 G C 0.726 175.876 174.900 0.416 0.000 0.979 260 G CA 0.381 45.613 45.100 0.220 0.000 0.641 260 G HN 0.588 nan 8.290 nan 0.000 0.530 261 N N 0.466 119.309 118.700 0.238 0.000 2.354 261 N HA 0.040 -11.800 4.740 -27.633 0.000 0.179 261 N C 1.095 176.753 175.510 0.247 0.000 1.021 261 N CA 1.751 54.939 53.050 0.231 0.000 0.887 261 N CB 0.127 38.703 38.487 0.147 0.000 0.974 261 N HN 0.873 nan 8.380 nan 0.000 0.437 262 T N -2.509 112.200 114.554 0.259 0.000 2.921 262 T HA 0.501 -11.729 4.350 -27.633 0.000 0.297 262 T C -1.398 173.512 174.700 0.349 0.000 1.013 262 T CA -0.779 61.480 62.100 0.264 0.000 0.990 262 T CB 1.230 70.183 68.868 0.142 0.000 1.023 262 T HN -0.036 nan 8.240 nan 0.000 0.447 263 W N 2.522 123.849 121.300 0.046 0.000 2.600 263 W HA 0.734 -11.189 4.660 -27.637 0.000 0.325 263 W C -0.999 175.612 176.519 0.154 0.000 1.034 263 W CA -1.243 56.153 57.345 0.085 0.000 1.226 263 W CB 1.797 31.243 29.460 -0.023 0.000 1.379 263 W HN 0.725 nan 8.180 nan 0.000 0.466 264 L N 2.874 124.314 121.223 0.361 0.000 2.356 264 L HA 0.447 -11.793 4.340 -27.633 0.000 0.277 264 L C 0.193 177.195 176.870 0.220 0.000 0.996 264 L CA -0.690 54.299 54.840 0.248 0.000 0.822 264 L CB 1.476 43.608 42.059 0.123 0.000 1.256 264 L HN 0.436 nan 8.230 nan 0.000 0.413 265 E N 3.436 123.695 120.200 0.099 0.000 2.384 265 E HA 0.252 -11.978 4.350 -27.633 0.000 0.266 265 E C -0.276 176.220 176.600 -0.173 0.000 1.012 265 E CA -0.055 56.217 56.400 -0.215 0.000 0.901 265 E CB 1.137 30.664 29.700 -0.287 0.000 0.967 265 E HN 0.783 nan 8.360 nan 0.000 0.435 266 A N 5.184 127.878 122.820 -0.210 0.000 3.077 266 A HA 0.093 -12.167 4.320 -27.633 0.000 0.255 266 A C 1.263 178.732 177.584 -0.191 0.000 1.728 266 A CA -0.031 51.915 52.037 -0.152 0.000 1.383 266 A CB -0.922 18.007 19.000 -0.118 0.000 1.097 266 A HN 0.590 nan 8.150 nan 0.000 0.634 267 V N -1.374 118.389 119.914 -0.251 0.000 2.594 267 V HA -0.086 -12.546 4.120 -27.633 0.000 0.253 267 V C 1.732 177.726 176.094 -0.168 0.000 1.069 267 V CA 2.192 64.258 62.300 -0.391 0.000 1.082 267 V CB -0.958 30.321 31.823 -0.908 0.000 0.680 267 V HN 0.539 nan 8.190 nan 0.000 0.469 268 G N -0.316 108.438 108.800 -0.076 0.000 3.141 268 G HA2 0.284 -12.336 3.960 -27.633 0.000 0.218 268 G HA3 0.284 -12.336 3.960 -27.633 0.000 0.218 268 G C 0.998 175.908 174.900 0.016 0.000 1.170 268 G CA 0.982 46.111 45.100 0.048 0.000 0.769 268 G HN 0.717 nan 8.290 nan 0.000 0.546 269 T N -2.474 112.066 114.554 -0.023 0.000 3.451 269 T HA 0.187 -12.043 4.350 -27.633 0.000 0.201 269 T C 1.758 176.386 174.700 -0.120 0.000 0.965 269 T CA -0.086 61.968 62.100 -0.076 0.000 1.088 269 T CB 0.035 68.832 68.868 -0.119 0.000 1.251 269 T HN -0.027 nan 8.240 nan 0.000 0.325 270 L N 1.113 122.224 121.223 -0.186 0.000 2.609 270 L HA 0.442 -11.798 4.340 -27.633 0.000 0.230 270 L C 1.216 177.856 176.870 -0.384 0.000 1.087 270 L CA -0.225 54.417 54.840 -0.329 0.000 0.874 270 L CB 0.333 42.260 42.059 -0.219 0.000 1.114 270 L HN 0.273 nan 8.230 nan 0.000 0.488 271 S N 0.777 116.299 115.700 -0.295 0.000 2.549 271 S HA 0.135 -11.974 4.470 -27.633 0.000 0.286 271 S C 0.948 175.290 174.600 -0.429 0.000 1.314 271 S CA 0.020 58.020 58.200 -0.333 0.000 1.062 271 S CB 0.078 63.081 63.200 -0.328 0.000 0.865 271 S HN 0.417 nan 8.310 nan 0.000 0.498 272 R N 1.411 121.650 120.500 -0.435 0.000 3.989 272 R HA -0.168 -12.408 4.340 -27.633 0.000 0.377 272 R C 0.932 176.896 176.300 -0.560 0.000 1.158 272 R CA 0.810 56.593 56.100 -0.529 0.000 1.035 272 R CB -2.607 27.206 30.300 -0.812 0.000 1.557 272 R HN 0.477 nan 8.270 nan 0.000 0.551 273 V N -0.309 119.243 119.914 -0.603 0.000 2.270 273 V HA -0.137 -12.596 4.120 -27.633 0.000 0.245 273 V C 1.266 176.909 176.094 -0.751 0.000 1.043 273 V CA 1.634 63.470 62.300 -0.774 0.000 1.014 273 V CB -0.144 30.899 31.823 -1.300 0.000 0.645 273 V HN 0.263 nan 8.190 nan 0.000 0.447 274 W N 0.654 121.699 121.300 -0.425 0.000 2.338 274 W HA 0.602 4.395 4.660 -1.445 0.000 0.307 274 W C 0.428 176.764 176.519 -0.304 0.000 1.167 274 W CA -0.568 56.533 57.345 -0.406 0.000 1.208 274 W CB 0.520 29.695 29.460 -0.474 0.000 1.228 274 W HN 0.152 nan 8.180 nan 0.000 0.499 275 G N 4.074 112.859 108.800 -0.025 0.000 2.367 275 G HA2 0.377 -12.243 3.960 -27.633 0.000 0.314 275 G HA3 0.377 -12.243 3.960 -27.633 0.000 0.314 275 G C -1.549 173.322 174.900 -0.049 0.000 1.130 275 G CA -1.192 43.886 45.100 -0.037 0.000 0.864 275 G HN 0.167 nan 8.290 nan 0.000 0.486 276 P HA 0.014 nan 4.420 nan 0.000 0.237 276 P C 0.351 177.721 177.300 0.116 0.000 1.178 276 P CA 0.601 63.727 63.100 0.043 0.000 0.766 276 P CB 0.375 32.099 31.700 0.041 0.000 0.876 277 S N -3.502 112.254 115.700 0.093 0.000 2.615 277 S HA 0.399 -11.711 4.470 -27.633 0.000 0.268 277 S C -2.737 171.936 174.600 0.121 0.000 1.146 277 S CA -1.241 57.036 58.200 0.129 0.000 0.818 277 S CB 1.335 64.577 63.200 0.070 0.000 1.111 277 S HN -0.347 nan 8.310 nan 0.000 0.465 278 P HA -0.074 nan 4.420 nan 0.000 0.217 278 P C 0.678 177.992 177.300 0.024 0.000 1.151 278 P CA 1.399 64.533 63.100 0.057 0.000 0.849 278 P CB 0.102 31.776 31.700 -0.043 0.000 0.787 279 K N -1.551 118.863 120.400 0.022 0.000 2.399 279 K HA 0.236 -12.024 4.320 -27.633 0.000 0.204 279 K C 0.288 176.902 176.600 0.022 0.000 1.023 279 K CA -0.045 56.250 56.287 0.013 0.000 1.127 279 K CB -0.400 32.105 32.500 0.008 0.000 0.856 279 K HN -0.072 nan 8.250 nan 0.000 0.514 280 S N 2.607 118.324 115.700 0.027 0.000 3.491 280 S HA -0.167 -12.277 4.470 -27.633 0.000 0.371 280 S C 0.256 174.882 174.600 0.042 0.000 0.980 280 S CA 1.127 59.341 58.200 0.023 0.000 1.204 280 S CB -1.428 61.777 63.200 0.008 0.000 0.915 280 S HN 0.599 nan 8.310 nan 0.000 0.482 281 N N -0.891 117.841 118.700 0.053 0.000 2.377 281 N HA 0.154 -11.685 4.740 -27.633 0.000 0.259 281 N C -0.449 175.161 175.510 0.167 0.000 1.332 281 N CA -0.481 52.642 53.050 0.122 0.000 0.877 281 N CB 0.454 38.994 38.487 0.089 0.000 1.299 281 N HN 0.291 nan 8.380 nan 0.000 0.501 282 Q N 0.047 119.823 119.800 -0.040 0.000 2.484 282 Q HA 0.579 -11.661 4.340 -27.633 0.000 0.285 282 Q C -2.866 172.721 176.000 -0.689 0.000 1.097 282 Q CA -1.787 53.839 55.803 -0.294 0.000 0.802 282 Q CB 1.647 30.278 28.738 -0.178 0.000 1.444 282 Q HN 0.028 nan 8.270 nan 0.000 0.429 283 P HA 0.032 nan 4.420 nan 0.000 0.267 283 P C -0.057 177.052 177.300 -0.319 0.000 1.200 283 P CA 0.435 63.020 63.100 -0.858 0.000 0.772 283 P CB 0.484 31.533 31.700 -1.085 0.000 0.855 284 G N 0.839 109.571 108.800 -0.114 0.000 2.582 284 G HA2 0.508 -12.112 3.960 -27.633 0.000 0.232 284 G HA3 0.508 -12.112 3.960 -27.633 0.000 0.232 284 G C -0.528 174.439 174.900 0.112 0.000 1.458 284 G CA -0.205 44.965 45.100 0.116 0.000 1.062 284 G HN 0.573 nan 8.290 nan 0.000 0.566 285 S N -2.321 113.420 115.700 0.068 0.000 2.625 285 S HA 0.392 -11.718 4.470 -27.633 0.000 0.271 285 S C -1.077 173.358 174.600 -0.275 0.000 1.161 285 S CA -0.518 57.586 58.200 -0.160 0.000 0.820 285 S CB 1.684 64.613 63.200 -0.453 0.000 1.137 285 S HN 0.739 nan 8.310 nan 0.000 0.470 286 Q N 1.579 120.982 119.800 -0.662 0.000 2.340 286 Q HA 0.507 -11.733 4.340 -27.633 0.000 0.249 286 Q C -1.112 174.665 176.000 -0.371 0.000 0.957 286 Q CA 0.319 55.753 55.803 -0.615 0.000 0.882 286 Q CB 1.053 29.082 28.738 -1.181 0.000 1.235 286 Q HN 0.615 nan 8.270 nan 0.000 0.439 287 S N 1.627 117.230 115.700 -0.162 0.000 2.549 287 S HA 0.323 -11.786 4.470 -27.633 0.000 0.280 287 S C -1.121 173.467 174.600 -0.020 0.000 1.109 287 S CA -0.580 57.535 58.200 -0.142 0.000 0.905 287 S CB 1.845 65.032 63.200 -0.021 0.000 1.081 287 S HN 0.633 nan 8.310 nan 0.000 0.477 288 S N 1.756 117.422 115.700 -0.055 0.000 2.513 288 S HA 0.703 -11.406 4.470 -27.633 0.000 0.276 288 S C -1.361 173.394 174.600 0.259 0.000 1.254 288 S CA -0.261 57.995 58.200 0.093 0.000 1.053 288 S CB -0.009 63.230 63.200 0.066 0.000 0.958 288 S HN 0.509 nan 8.310 nan 0.000 0.491 289 F N 4.586 124.617 119.950 0.135 0.000 3.051 289 F HA 0.417 -11.622 4.527 -27.611 0.000 0.363 289 F C -0.371 175.527 175.800 0.164 0.000 1.257 289 F CA -0.372 57.749 58.000 0.201 0.000 1.126 289 F CB 1.186 40.333 39.000 0.245 0.000 1.476 289 F HN 0.633 nan 8.300 nan 0.000 0.576 290 T N 1.810 116.331 114.554 -0.054 0.000 2.906 290 T HA 0.904 -11.326 4.350 -27.633 0.000 0.295 290 T C -0.906 173.737 174.700 -0.095 0.000 1.075 290 T CA -0.841 61.219 62.100 -0.066 0.000 1.005 290 T CB 1.883 70.796 68.868 0.074 0.000 1.136 290 T HN 0.868 nan 8.240 nan 0.000 0.498 291 A N 1.817 124.625 122.820 -0.020 0.000 2.258 291 A HA 0.763 -11.497 4.320 -27.633 0.000 0.316 291 A C 0.206 177.862 177.584 0.120 0.000 1.279 291 A CA -0.666 51.425 52.037 0.088 0.000 0.876 291 A CB 0.110 19.204 19.000 0.158 0.000 1.170 291 A HN 1.656 nan 8.150 nan 0.000 0.520 292 V N -0.047 119.944 119.914 0.128 0.000 3.046 292 V HA 0.866 -11.593 4.120 -27.633 0.000 0.316 292 V C -0.191 175.970 176.094 0.112 0.000 1.104 292 V CA -0.597 61.778 62.300 0.126 0.000 1.006 292 V CB 1.795 33.648 31.823 0.050 0.000 1.058 292 V HN 0.595 nan 8.190 nan 0.000 0.440 293 T N 3.827 118.465 114.554 0.139 0.000 2.963 293 T HA 0.591 -11.639 4.350 -27.633 0.000 0.343 293 T C -0.272 174.504 174.700 0.127 0.000 1.146 293 T CA 0.044 62.212 62.100 0.114 0.000 1.016 293 T CB -0.029 68.902 68.868 0.105 0.000 1.046 293 T HN 0.579 nan 8.240 nan 0.000 0.496 294 I N 2.415 123.001 120.570 0.027 0.000 2.336 294 I HA 0.262 -12.148 4.170 -27.633 0.000 0.292 294 I C 0.625 176.765 176.117 0.039 0.000 0.991 294 I CA -0.625 60.675 61.300 -0.001 0.000 1.227 294 I CB 0.917 38.815 38.000 -0.169 0.000 1.366 294 I HN 0.692 nan 8.210 nan 0.000 0.466 295 E N 4.914 125.157 120.200 0.072 0.000 2.149 295 E HA -0.291 -12.521 4.350 -27.633 0.000 0.191 295 E C 1.142 177.768 176.600 0.043 0.000 1.384 295 E CA 0.570 57.000 56.400 0.049 0.000 0.698 295 E CB -1.038 28.675 29.700 0.021 0.000 1.086 295 E HN 1.177 nan 8.360 nan 0.000 0.338 296 G N 0.270 109.102 108.800 0.053 0.000 2.328 296 G HA2 -0.410 -13.030 3.960 -27.633 0.000 0.256 296 G HA3 -0.410 -13.030 3.960 -27.633 0.000 0.256 296 G C 0.337 175.267 174.900 0.049 0.000 1.014 296 G CA 0.491 45.617 45.100 0.044 0.000 0.620 296 G HN 0.429 nan 8.290 nan 0.000 0.530 297 M N 1.221 120.859 119.600 0.063 0.000 2.084 297 M HA 0.618 -11.482 4.480 -27.633 0.000 0.351 297 M C 0.462 176.830 176.300 0.112 0.000 1.240 297 M CA -0.951 54.405 55.300 0.093 0.000 1.083 297 M CB 0.692 33.365 32.600 0.121 0.000 1.593 297 M HN 0.180 nan 8.290 nan 0.000 0.463 298 R N 4.014 124.579 120.500 0.107 0.000 2.401 298 R HA 0.466 -11.774 4.340 -27.633 0.000 0.299 298 R C -1.137 175.390 176.300 0.379 0.000 1.064 298 R CA -0.052 56.128 56.100 0.132 0.000 1.000 298 R CB 0.292 30.538 30.300 -0.090 0.000 0.973 298 R HN 0.563 nan 8.270 nan 0.000 0.438 299 V N 0.936 121.090 119.914 0.399 0.000 3.181 299 V HA 0.650 -11.810 4.120 -27.633 0.000 0.307 299 V C -0.733 175.538 176.094 0.295 0.000 1.310 299 V CA -1.232 61.321 62.300 0.421 0.000 1.067 299 V CB 2.327 34.312 31.823 0.269 0.000 1.081 299 V HN 0.679 nan 8.190 nan 0.000 0.453 300 M N 1.697 121.384 119.600 0.144 0.000 2.465 300 M HA 0.683 -11.416 4.480 -27.633 0.000 0.316 300 M C -1.364 175.039 176.300 0.172 0.000 1.121 300 M CA -0.407 54.922 55.300 0.049 0.000 0.934 300 M CB 2.193 34.722 32.600 -0.118 0.000 1.692 300 M HN 0.545 nan 8.290 nan 0.000 0.444 301 L N 2.579 123.900 121.223 0.163 0.000 2.341 301 L HA 0.692 -11.547 4.340 -27.633 0.000 0.278 301 L C -1.305 175.799 176.870 0.389 0.000 1.005 301 L CA -0.546 54.443 54.840 0.248 0.000 0.818 301 L CB 1.664 43.812 42.059 0.147 0.000 1.259 301 L HN 0.576 nan 8.230 nan 0.000 0.418 302 F N 2.056 122.151 119.950 0.240 0.000 2.578 302 F HA 0.730 -11.413 4.527 -27.782 0.000 0.311 302 F C -0.399 175.468 175.800 0.112 0.000 1.094 302 F CA -0.294 57.783 58.000 0.129 0.000 0.923 302 F CB 2.202 41.074 39.000 -0.214 0.000 1.230 302 F HN 0.487 nan 8.300 nan 0.000 0.450 303 T N 2.327 116.352 114.554 -0.882 0.000 2.906 303 T HA 0.590 -11.640 4.350 -27.633 0.000 0.295 303 T C -1.561 172.587 174.700 -0.919 0.000 1.061 303 T CA -0.603 61.135 62.100 -0.603 0.000 1.000 303 T CB 1.861 70.564 68.868 -0.275 0.000 1.103 303 T HN 0.924 nan 8.240 nan 0.000 0.486 304 H N 1.015 119.757 119.070 -0.546 0.000 3.081 304 H HA 0.350 -11.651 4.556 -27.596 0.000 0.322 304 H C -3.324 171.934 175.328 -0.117 0.000 1.266 304 H CA -0.987 54.854 56.048 -0.346 0.000 1.279 304 H CB 2.408 31.971 29.762 -0.332 0.000 1.954 304 H HN 0.553 nan 8.280 nan 0.000 0.530 305 P HA 0.162 nan 4.420 nan 0.000 0.277 305 P C 0.808 178.219 177.300 0.186 0.000 1.240 305 P CA -0.440 62.670 63.100 0.017 0.000 0.798 305 P CB 1.723 33.388 31.700 -0.057 0.000 0.979 306 L N 0.443 121.687 121.223 0.037 0.000 2.270 306 L HA -0.017 -12.257 4.340 -27.633 0.000 0.210 306 L C 0.781 177.739 176.870 0.148 0.000 1.104 306 L CA 0.670 55.563 54.840 0.089 0.000 0.804 306 L CB -0.798 41.161 42.059 -0.166 0.000 0.937 306 L HN 0.496 nan 8.230 nan 0.000 0.450 307 N N -0.350 118.372 118.700 0.036 0.000 2.708 307 N HA -0.248 -12.088 4.740 -27.633 0.000 0.255 307 N C 0.462 176.124 175.510 0.254 0.000 1.046 307 N CA 0.340 53.452 53.050 0.105 0.000 0.715 307 N CB -1.408 37.143 38.487 0.107 0.000 0.895 307 N HN 0.311 nan 8.380 nan 0.000 0.545 308 F N 0.171 120.146 119.950 0.041 0.000 2.146 308 F HA -0.128 -12.188 4.527 -27.644 0.000 0.298 308 F C 2.082 177.896 175.800 0.023 0.000 1.096 308 F CA 0.691 58.711 58.000 0.032 0.000 1.275 308 F CB -0.015 39.004 39.000 0.032 0.000 1.008 308 F HN 0.208 nan 8.300 nan 0.000 0.480 309 K N 0.521 121.049 120.400 0.214 0.000 2.147 309 K HA 0.042 -12.217 4.320 -27.633 0.000 0.205 309 K C 0.973 177.625 176.600 0.087 0.000 1.049 309 K CA 0.686 57.048 56.287 0.124 0.000 0.936 309 K CB -0.486 32.068 32.500 0.089 0.000 0.722 309 K HN 0.401 nan 8.250 nan 0.000 0.446 310 G N 0.535 109.379 108.800 0.074 0.000 2.661 310 G HA2 -0.235 -12.854 3.960 -27.633 0.000 0.685 310 G HA3 -0.235 -12.854 3.960 -27.633 0.000 0.685 310 G C -0.441 174.445 174.900 -0.024 0.000 1.298 310 G CA -0.357 44.755 45.100 0.021 0.000 0.855 310 G HN 0.272 nan 8.290 nan 0.000 0.560 311 R N -1.835 118.590 120.500 -0.125 0.000 3.853 311 R HA -0.251 -12.490 4.340 -27.633 0.000 0.440 311 R C 1.121 177.203 176.300 -0.364 0.000 0.241 311 R CA 2.348 58.271 56.100 -0.296 0.000 1.395 311 R CB -1.328 28.939 30.300 -0.056 0.000 0.984 311 R HN 0.794 nan 8.270 nan 0.000 0.570 312 W N 1.157 122.489 121.300 0.053 0.000 3.220 312 W HA 0.247 -11.672 4.660 -27.632 0.000 0.328 312 W C 1.892 178.450 176.519 0.064 0.000 1.205 312 W CA -0.112 57.268 57.345 0.059 0.000 1.773 312 W CB -0.195 29.311 29.460 0.076 0.000 1.086 312 W HN 0.320 nan 8.180 nan 0.000 0.622 313 L N 0.845 122.194 121.223 0.210 0.000 2.013 313 L HA -0.190 -12.430 4.340 -27.633 0.000 0.212 313 L C 0.942 177.873 176.870 0.102 0.000 1.073 313 L CA 1.499 56.420 54.840 0.134 0.000 0.753 313 L CB -0.762 41.352 42.059 0.090 0.000 0.890 313 L HN -0.084 nan 8.230 nan 0.000 0.432 314 R N 1.469 122.019 120.500 0.083 0.000 2.939 314 R HA -0.152 -12.392 4.340 -27.633 0.000 0.255 314 R C -0.312 175.993 176.300 0.008 0.000 0.882 314 R CA 0.571 56.703 56.100 0.053 0.000 0.658 314 R CB -1.709 28.639 30.300 0.080 0.000 1.447 314 R HN 0.584 nan 8.270 nan 0.000 0.506 315 D N 1.050 121.434 120.400 -0.026 0.000 2.411 315 D HA 0.198 -11.742 4.640 -27.633 0.000 0.251 315 D C -0.025 176.175 176.300 -0.168 0.000 1.201 315 D CA -0.706 53.245 54.000 -0.081 0.000 0.996 315 D CB 0.469 41.221 40.800 -0.081 0.000 1.101 315 D HN 0.293 nan 8.370 nan 0.000 0.504 316 R N -1.041 119.340 120.500 -0.198 0.000 2.992 316 R HA -0.205 -12.445 4.340 -27.633 0.000 0.263 316 R C -0.648 175.534 176.300 -0.197 0.000 0.902 316 R CA -0.203 55.749 56.100 -0.247 0.000 0.667 316 R CB -1.735 28.294 30.300 -0.452 0.000 1.504 316 R HN 0.402 nan 8.270 nan 0.000 0.489 317 L N 2.264 123.366 121.223 -0.202 0.000 2.433 317 L HA 0.153 -12.086 4.340 -27.633 0.000 0.275 317 L C 0.005 176.765 176.870 -0.183 0.000 1.128 317 L CA 0.420 55.133 54.840 -0.212 0.000 0.875 317 L CB 0.547 42.388 42.059 -0.364 0.000 1.171 317 L HN 0.225 nan 8.230 nan 0.000 0.463 318 N N 3.781 122.414 118.700 -0.111 0.000 2.417 318 N HA 0.615 -11.225 4.740 -27.633 0.000 0.300 318 N C -1.422 173.993 175.510 -0.160 0.000 1.102 318 N CA -0.524 52.442 53.050 -0.140 0.000 0.886 318 N CB 1.603 40.057 38.487 -0.055 0.000 1.203 318 N HN 0.519 nan 8.380 nan 0.000 0.496 319 L N 1.915 122.969 121.223 -0.282 0.000 2.322 319 L HA 0.645 -11.595 4.340 -27.633 0.000 0.281 319 L C -1.723 174.962 176.870 -0.308 0.000 1.014 319 L CA -0.543 54.192 54.840 -0.176 0.000 0.815 319 L CB 0.504 42.503 42.059 -0.100 0.000 1.247 319 L HN 0.546 nan 8.230 nan 0.000 0.421 320 W N 5.371 126.751 121.300 0.135 0.000 2.761 320 W HA 0.680 -10.319 4.660 -26.098 0.000 0.340 320 W C -1.153 175.564 176.519 0.330 0.000 1.072 320 W CA -0.616 56.910 57.345 0.301 0.000 1.215 320 W CB 1.739 31.491 29.460 0.487 0.000 1.420 320 W HN 0.391 nan 8.180 nan 0.000 0.519 321 L N 2.408 124.012 121.223 0.634 0.000 2.385 321 L HA 0.853 -11.387 4.340 -27.633 0.000 0.273 321 L C -0.597 176.661 176.870 0.645 0.000 0.990 321 L CA -0.073 55.073 54.840 0.510 0.000 0.821 321 L CB 2.105 44.374 42.059 0.349 0.000 1.279 321 L HN 0.374 nan 8.230 nan 0.000 0.412 322 T N 1.458 116.329 114.554 0.529 0.000 2.923 322 T HA 0.430 -11.799 4.350 -27.633 0.000 0.311 322 T C -0.862 174.028 174.700 0.318 0.000 1.183 322 T CA -0.248 62.134 62.100 0.471 0.000 1.020 322 T CB 1.139 70.215 68.868 0.345 0.000 1.165 322 T HN 0.759 nan 8.240 nan 0.000 0.482 323 D N 2.856 123.414 120.400 0.263 0.000 2.463 323 D HA 0.172 -11.768 4.640 -27.633 0.000 0.224 323 D C 0.779 177.073 176.300 -0.011 0.000 1.174 323 D CA -0.295 53.844 54.000 0.233 0.000 0.829 323 D CB -0.594 40.421 40.800 0.358 0.000 0.993 323 D HN 0.797 nan 8.370 nan 0.000 0.497 324 N N -0.200 118.368 118.700 -0.220 0.000 2.909 324 N HA -0.255 -12.095 4.740 -27.633 0.000 0.242 324 N C 0.314 175.716 175.510 -0.180 0.000 0.975 324 N CA 1.154 54.027 53.050 -0.295 0.000 0.921 324 N CB -0.367 37.839 38.487 -0.468 0.000 1.112 324 N HN 0.427 nan 8.380 nan 0.000 0.581 325 Q N -0.550 119.135 119.800 -0.191 0.000 2.474 325 Q HA 0.222 -12.018 4.340 -27.633 0.000 0.191 325 Q C -0.124 175.700 176.000 -0.294 0.000 0.700 325 Q CA -0.155 55.475 55.803 -0.287 0.000 0.849 325 Q CB 0.383 28.919 28.738 -0.336 0.000 1.232 325 Q HN 0.117 nan 8.270 nan 0.000 0.563 326 R N 0.996 121.249 120.500 -0.413 0.000 2.457 326 R HA 0.499 -11.741 4.340 -27.633 0.000 0.284 326 R C -0.605 175.695 176.300 0.001 0.000 1.024 326 R CA 0.125 56.028 56.100 -0.328 0.000 1.025 326 R CB 0.969 30.770 30.300 -0.832 0.000 1.063 326 R HN 0.151 nan 8.270 nan 0.000 0.493 327 I N 2.509 123.227 120.570 0.246 0.000 2.439 327 I HA 0.239 -12.171 4.170 -27.633 0.000 0.283 327 I C -1.213 175.294 176.117 0.650 0.000 1.023 327 I CA -0.864 60.697 61.300 0.435 0.000 1.100 327 I CB 1.187 39.314 38.000 0.212 0.000 1.238 327 I HN 0.524 nan 8.210 nan 0.000 0.445 328 Y N 6.197 126.897 120.300 0.667 0.000 2.341 328 Y HA 0.379 -11.645 4.550 -27.623 0.000 0.337 328 Y C 0.083 176.206 175.900 0.373 0.000 1.014 328 Y CA -0.731 57.686 58.100 0.529 0.000 1.111 328 Y CB 1.285 40.024 38.460 0.464 0.000 1.194 328 Y HN 0.559 nan 8.280 nan 0.000 0.462 329 N N 4.702 123.049 118.700 -0.589 0.000 2.415 329 N HA 0.108 -11.731 4.740 -27.633 0.000 0.250 329 N C 0.300 175.271 175.510 -0.898 0.000 1.127 329 N CA 0.083 52.499 53.050 -1.055 0.000 0.945 329 N CB 0.822 38.666 38.487 -1.072 0.000 1.196 329 N HN 0.586 nan 8.380 nan 0.000 0.499 330 V N 2.371 122.044 119.914 -0.402 0.000 2.407 330 V HA 0.138 -12.322 4.120 -27.633 0.000 0.248 330 V C 1.474 177.472 176.094 -0.161 0.000 1.055 330 V CA 1.660 63.933 62.300 -0.044 0.000 1.049 330 V CB -1.510 30.338 31.823 0.042 0.000 0.662 330 V HN 0.921 nan 8.190 nan 0.000 0.455 331 G N -1.061 107.553 108.800 -0.310 0.000 2.357 331 G HA2 0.079 -12.540 3.960 -27.633 0.000 0.289 331 G HA3 0.079 -12.540 3.960 -27.633 0.000 0.289 331 G C -1.135 173.633 174.900 -0.220 0.000 1.302 331 G CA -0.273 44.688 45.100 -0.231 0.000 0.936 331 G HN 0.206 nan 8.290 nan 0.000 0.513 332 Q N -0.267 119.441 119.800 -0.153 0.000 2.303 332 Q HA 0.557 -11.682 4.340 -27.633 0.000 0.257 332 Q C 0.608 176.539 176.000 -0.115 0.000 0.941 332 Q CA -0.604 55.113 55.803 -0.143 0.000 0.931 332 Q CB 1.583 30.246 28.738 -0.125 0.000 1.215 332 Q HN 0.430 nan 8.270 nan 0.000 0.437 333 V N 2.564 122.396 119.914 -0.137 0.000 2.649 333 V HA -0.063 -12.523 4.120 -27.633 0.000 0.248 333 V C 0.901 176.938 176.094 -0.095 0.000 1.054 333 V CA 1.228 63.464 62.300 -0.107 0.000 1.073 333 V CB 0.121 31.872 31.823 -0.121 0.000 0.699 333 V HN 0.829 nan 8.190 nan 0.000 0.463 334 S N 0.017 115.605 115.700 -0.187 0.000 2.632 334 S HA 0.538 -11.572 4.470 -27.633 0.000 0.267 334 S C -0.374 174.208 174.600 -0.030 0.000 1.276 334 S CA -0.485 57.649 58.200 -0.111 0.000 0.998 334 S CB 1.192 64.279 63.200 -0.189 0.000 0.953 334 S HN 0.198 nan 8.310 nan 0.000 0.547 335 I N 2.241 122.824 120.570 0.022 0.000 2.331 335 I HA 0.487 -11.923 4.170 -27.633 0.000 0.292 335 I C 1.401 177.516 176.117 -0.004 0.000 0.998 335 I CA 0.163 61.469 61.300 0.011 0.000 1.267 335 I CB 0.363 38.380 38.000 0.029 0.000 1.386 335 I HN 1.152 nan 8.210 nan 0.000 0.476 336 G N 5.958 114.751 108.800 -0.011 0.000 2.634 336 G HA2 -0.344 -12.964 3.960 -27.633 0.000 0.309 336 G HA3 -0.344 -12.964 3.960 -27.633 0.000 0.309 336 G C 0.340 175.224 174.900 -0.027 0.000 1.265 336 G CA 0.592 45.686 45.100 -0.010 0.000 0.998 336 G HN 0.874 nan 8.290 nan 0.000 0.551 337 D N 1.788 122.180 120.400 -0.013 0.000 2.615 337 D HA 0.184 -11.756 4.640 -27.633 0.000 0.236 337 D C 0.837 177.126 176.300 -0.018 0.000 1.233 337 D CA 0.581 54.569 54.000 -0.021 0.000 0.829 337 D CB -0.589 40.219 40.800 0.013 0.000 1.024 337 D HN 0.931 nan 8.370 nan 0.000 0.490 338 E N 0.242 120.432 120.200 -0.017 0.000 2.408 338 E HA 0.063 -12.166 4.350 -27.633 0.000 0.259 338 E C -0.377 176.212 176.600 -0.018 0.000 1.110 338 E CA -0.539 55.856 56.400 -0.010 0.000 0.929 338 E CB 0.438 30.144 29.700 0.010 0.000 0.971 338 E HN -0.099 nan 8.360 nan 0.000 0.438 339 N N 1.295 119.983 118.700 -0.020 0.000 2.430 339 N HA 0.100 -11.739 4.740 -27.633 0.000 0.265 339 N C -1.131 174.383 175.510 0.007 0.000 1.100 339 N CA -0.156 52.883 53.050 -0.018 0.000 0.961 339 N CB 1.231 39.691 38.487 -0.044 0.000 1.075 339 N HN 0.531 nan 8.380 nan 0.000 0.478 340 S N -0.391 115.320 115.700 0.019 0.000 2.381 340 S HA 0.574 -11.536 4.470 -27.633 0.000 0.193 340 S C 0.438 175.061 174.600 0.039 0.000 1.287 340 S CA -0.872 57.362 58.200 0.057 0.000 1.199 340 S CB 0.923 64.112 63.200 -0.017 0.000 1.214 340 S HN 0.513 nan 8.310 nan 0.000 0.444 341 A N 2.400 125.299 122.820 0.131 0.000 1.909 341 A HA 0.428 -11.832 4.320 -27.633 0.000 0.215 341 A C 0.121 177.844 177.584 0.232 0.000 1.392 341 A CA 0.657 52.803 52.037 0.181 0.000 0.599 341 A CB -0.702 18.479 19.000 0.302 0.000 1.029 341 A HN 0.691 nan 8.150 nan 0.000 0.480 342 Y N 0.741 121.052 120.300 0.019 0.000 2.397 342 Y HA 0.444 -11.582 4.550 -27.626 0.000 0.335 342 Y C 0.921 176.841 175.900 0.034 0.000 1.213 342 Y CA -0.476 57.624 58.100 0.000 0.000 1.391 342 Y CB 0.537 39.002 38.460 0.009 0.000 1.293 342 Y HN 0.512 nan 8.280 nan 0.000 0.557 343 S N -0.123 115.663 115.700 0.143 0.000 2.596 343 S HA 0.742 -11.367 4.470 -27.633 0.000 0.270 343 S C -1.029 173.635 174.600 0.106 0.000 1.155 343 S CA -1.012 57.271 58.200 0.137 0.000 0.827 343 S CB 2.076 65.317 63.200 0.068 0.000 1.130 343 S HN 0.476 nan 8.310 nan 0.000 0.467 344 S N 0.532 116.315 115.700 0.138 0.000 2.720 344 S HA 0.594 -11.516 4.470 -27.633 0.000 0.278 344 S C -1.470 173.236 174.600 0.176 0.000 1.172 344 S CA -0.480 57.807 58.200 0.145 0.000 1.019 344 S CB 0.922 64.213 63.200 0.152 0.000 1.049 344 S HN 0.799 nan 8.310 nan 0.000 0.483 345 V N 5.636 125.648 119.914 0.164 0.000 2.398 345 V HA 0.617 -11.843 4.120 -27.633 0.000 0.286 345 V C -0.328 175.904 176.094 0.230 0.000 1.026 345 V CA -0.686 61.726 62.300 0.187 0.000 0.868 345 V CB 1.330 33.236 31.823 0.139 0.000 0.982 345 V HN 0.766 nan 8.190 nan 0.000 0.443 346 L N 5.461 126.867 121.223 0.304 0.000 2.346 346 L HA 0.612 -11.627 4.340 -27.633 0.000 0.276 346 L C -1.289 175.842 176.870 0.434 0.000 1.006 346 L CA -0.479 54.574 54.840 0.355 0.000 0.817 346 L CB 1.690 43.980 42.059 0.384 0.000 1.272 346 L HN 0.630 nan 8.230 nan 0.000 0.421 347 Y N 5.101 125.532 120.300 0.219 0.000 2.345 347 Y HA 0.566 -11.460 4.550 -27.627 0.000 0.331 347 Y C -1.037 174.981 175.900 0.196 0.000 0.959 347 Y CA -0.768 57.430 58.100 0.164 0.000 1.204 347 Y CB 0.765 39.287 38.460 0.104 0.000 1.135 347 Y HN 0.676 nan 8.280 nan 0.000 0.477 348 K N 5.648 126.040 120.400 -0.013 0.000 2.565 348 K HA 0.271 -11.989 4.320 -27.633 0.000 0.249 348 K C -1.200 175.333 176.600 -0.111 0.000 0.958 348 K CA -0.410 55.864 56.287 -0.022 0.000 0.806 348 K CB 0.886 33.506 32.500 0.201 0.000 1.194 348 K HN 0.778 nan 8.250 nan 0.000 0.434 349 D N 4.016 124.285 120.400 -0.219 0.000 2.737 349 D HA -0.190 -12.130 4.640 -27.633 0.000 0.238 349 D C -0.397 175.780 176.300 -0.205 0.000 1.157 349 D CA 1.650 55.555 54.000 -0.159 0.000 0.694 349 D CB -0.716 40.061 40.800 -0.039 0.000 1.021 349 D HN 0.994 nan 8.370 nan 0.000 0.420 350 D N -0.638 119.500 120.400 -0.437 0.000 2.737 350 D HA -0.222 -12.162 4.640 -27.633 0.000 0.233 350 D C -0.721 175.523 176.300 -0.093 0.000 1.155 350 D CA 1.237 55.083 54.000 -0.256 0.000 0.667 350 D CB -0.018 40.765 40.800 -0.028 0.000 1.060 350 D HN 0.310 nan 8.370 nan 0.000 0.427 351 K N 0.108 120.384 120.400 -0.207 0.000 2.427 351 K HA 0.558 -11.701 4.320 -27.633 0.000 0.252 351 K C -0.755 175.643 176.600 -0.337 0.000 0.931 351 K CA -1.054 55.070 56.287 -0.273 0.000 0.793 351 K CB 2.030 34.342 32.500 -0.314 0.000 1.211 351 K HN 0.087 nan 8.250 nan 0.000 0.426 352 L N 3.420 124.411 121.223 -0.386 0.000 2.313 352 L HA 0.492 -11.748 4.340 -27.633 0.000 0.283 352 L C -1.574 175.057 176.870 -0.400 0.000 1.013 352 L CA -0.343 54.388 54.840 -0.181 0.000 0.816 352 L CB 0.703 42.758 42.059 -0.007 0.000 1.236 352 L HN 0.476 nan 8.230 nan 0.000 0.419 353 Y N 2.976 123.335 120.300 0.098 0.000 2.576 353 Y HA 0.683 -11.348 4.550 -27.634 0.000 0.346 353 Y C -0.348 175.575 175.900 0.038 0.000 1.018 353 Y CA -0.826 57.267 58.100 -0.011 0.000 1.050 353 Y CB 1.941 40.433 38.460 0.053 0.000 1.280 353 Y HN 0.631 nan 8.280 nan 0.000 0.474 354 C N 2.963 122.338 119.300 0.125 0.000 2.535 354 C HA 0.760 -11.360 4.460 -27.633 0.000 0.319 354 C C -1.630 173.460 174.990 0.167 0.000 1.171 354 C CA -0.719 58.401 59.018 0.168 0.000 1.394 354 C CB 0.378 28.215 27.740 0.161 0.000 1.990 354 C HN 0.810 nan 8.230 nan 0.000 0.466 355 L N 6.968 128.330 121.223 0.231 0.000 2.316 355 L HA 0.764 -11.476 4.340 -27.633 0.000 0.280 355 L C -0.359 176.606 176.870 0.157 0.000 1.006 355 L CA 0.472 55.429 54.840 0.195 0.000 0.836 355 L CB 0.627 42.824 42.059 0.230 0.000 1.221 355 L HN 0.969 nan 8.230 nan 0.000 0.418 356 H N 1.201 120.317 119.070 0.077 0.000 2.985 356 H HA 0.658 -11.361 4.556 -27.625 0.000 0.360 356 H C -1.178 174.185 175.328 0.059 0.000 1.221 356 H CA -1.011 55.073 56.048 0.060 0.000 1.121 356 H CB 0.879 30.667 29.762 0.044 0.000 1.854 356 H HN 0.522 nan 8.280 nan 0.000 0.551 357 E N 0.998 121.360 120.200 0.270 0.000 2.366 357 E HA 0.348 -11.882 4.350 -27.633 0.000 0.266 357 E C -0.227 176.528 176.600 0.257 0.000 1.051 357 E CA -0.503 56.028 56.400 0.218 0.000 0.884 357 E CB 1.342 31.194 29.700 0.254 0.000 1.006 357 E HN 0.571 nan 8.360 nan 0.000 0.417 358 I N -0.263 120.385 120.570 0.130 0.000 2.499 358 I HA 0.446 -11.964 4.170 -27.633 0.000 0.288 358 I C -1.074 175.008 176.117 -0.059 0.000 1.048 358 I CA -0.781 60.557 61.300 0.064 0.000 1.062 358 I CB 1.838 39.864 38.000 0.042 0.000 1.238 358 I HN 0.361 nan 8.210 nan 0.000 0.426 359 N N 4.390 122.979 118.700 -0.185 0.000 2.399 359 N HA 0.474 -11.366 4.740 -27.633 0.000 0.284 359 N C -1.510 173.828 175.510 -0.285 0.000 1.025 359 N CA -0.333 52.428 53.050 -0.482 0.000 0.885 359 N CB 1.893 39.851 38.487 -0.881 0.000 1.339 359 N HN 0.716 nan 8.380 nan 0.000 0.487 360 S N 2.781 118.336 115.700 -0.241 0.000 2.756 360 S HA 0.320 -11.790 4.470 -27.633 0.000 0.303 360 S C -0.321 174.211 174.600 -0.113 0.000 1.135 360 S CA -0.687 57.435 58.200 -0.131 0.000 1.066 360 S CB 0.839 63.992 63.200 -0.079 0.000 1.008 360 S HN 0.773 nan 8.310 nan 0.000 0.482 361 N N 2.814 121.468 118.700 -0.078 0.000 2.754 361 N HA -0.142 -11.982 4.740 -27.633 0.000 0.248 361 N C -0.603 174.902 175.510 -0.009 0.000 1.093 361 N CA 0.934 53.967 53.050 -0.028 0.000 0.699 361 N CB -0.784 37.697 38.487 -0.011 0.000 1.016 361 N HN 0.789 nan 8.380 nan 0.000 0.552 362 E N -3.004 117.155 120.200 -0.068 0.000 2.513 362 E HA -0.188 -12.418 4.350 -27.633 0.000 0.257 362 E C -0.664 176.055 176.600 0.198 0.000 1.098 362 E CA 0.800 57.235 56.400 0.057 0.000 0.752 362 E CB -1.775 28.036 29.700 0.185 0.000 1.324 362 E HN 0.406 nan 8.360 nan 0.000 0.403 363 V N 1.559 121.465 119.914 -0.013 0.000 2.380 363 V HA 0.353 -12.107 4.120 -27.633 0.000 0.286 363 V C -0.257 175.831 176.094 -0.010 0.000 1.015 363 V CA -0.747 61.569 62.300 0.026 0.000 0.834 363 V CB 0.678 32.413 31.823 -0.147 0.000 1.009 363 V HN 0.063 nan 8.190 nan 0.000 0.428 364 Y N 1.779 122.074 120.300 -0.007 0.000 2.387 364 Y HA 0.735 -11.297 4.550 -27.636 0.000 0.330 364 Y C 0.801 176.746 175.900 0.074 0.000 1.133 364 Y CA -0.480 57.629 58.100 0.015 0.000 1.152 364 Y CB 1.997 40.453 38.460 -0.007 0.000 1.215 364 Y HN 0.562 nan 8.280 nan 0.000 0.466 365 S N 1.910 117.743 115.700 0.222 0.000 2.632 365 S HA 0.709 -11.401 4.470 -27.633 0.000 0.289 365 S C -1.311 173.360 174.600 0.117 0.000 1.115 365 S CA -0.897 57.420 58.200 0.194 0.000 0.889 365 S CB 1.355 64.610 63.200 0.093 0.000 1.116 365 S HN 0.453 nan 8.310 nan 0.000 0.486 366 L N 2.399 123.657 121.223 0.059 0.000 2.343 366 L HA 0.565 -11.675 4.340 -27.633 0.000 0.278 366 L C -0.333 176.520 176.870 -0.029 0.000 0.996 366 L CA -0.909 53.912 54.840 -0.033 0.000 0.831 366 L CB 1.523 43.468 42.059 -0.189 0.000 1.232 366 L HN 0.505 nan 8.230 nan 0.000 0.413 367 V N 0.182 120.006 119.914 -0.150 0.000 2.743 367 V HA 0.501 -11.959 4.120 -27.633 0.000 0.301 367 V C -0.748 175.316 176.094 -0.050 0.000 1.057 367 V CA -0.530 61.695 62.300 -0.125 0.000 1.006 367 V CB 1.770 33.462 31.823 -0.218 0.000 1.024 367 V HN 0.546 nan 8.190 nan 0.000 0.473 368 F N 3.875 123.776 119.950 -0.083 0.000 2.382 368 F HA 0.833 -11.219 4.527 -27.631 0.000 0.361 368 F C 0.218 176.066 175.800 0.080 0.000 1.109 368 F CA -0.722 57.287 58.000 0.015 0.000 1.031 368 F CB 0.437 39.456 39.000 0.032 0.000 1.234 368 F HN 0.959 nan 8.300 nan 0.000 0.445 369 A N 6.394 128.995 122.820 -0.365 0.000 2.312 369 A HA 0.748 -11.512 4.320 -27.633 0.000 0.326 369 A C -0.477 176.905 177.584 -0.337 0.000 1.172 369 A CA -0.869 51.016 52.037 -0.254 0.000 0.821 369 A CB 0.743 19.714 19.000 -0.047 0.000 1.166 369 A HN 0.830 nan 8.150 nan 0.000 0.493 370 R N 1.984 122.372 120.500 -0.187 0.000 2.239 370 R HA 0.334 -11.906 4.340 -27.633 0.000 0.332 370 R C -0.966 175.273 176.300 -0.101 0.000 0.988 370 R CA -0.228 55.799 56.100 -0.121 0.000 0.859 370 R CB 0.817 31.105 30.300 -0.020 0.000 1.148 370 R HN 0.662 nan 8.270 nan 0.000 0.482 371 L N 4.366 125.517 121.223 -0.121 0.000 2.391 371 L HA 0.072 -12.167 4.340 -27.633 0.000 0.249 371 L C 1.151 177.969 176.870 -0.085 0.000 1.308 371 L CA -0.274 54.518 54.840 -0.079 0.000 1.209 371 L CB 0.050 42.077 42.059 -0.054 0.000 1.401 371 L HN 0.543 nan 8.230 nan 0.000 0.416 372 V N 1.220 121.093 119.914 -0.068 0.000 2.302 372 V HA -0.096 -12.556 4.120 -27.633 0.000 0.243 372 V C 2.421 178.493 176.094 -0.037 0.000 1.036 372 V CA 2.007 64.274 62.300 -0.055 0.000 1.020 372 V CB -0.552 31.249 31.823 -0.037 0.000 0.657 372 V HN 0.813 nan 8.190 nan 0.000 0.453 373 G N -0.303 108.480 108.800 -0.027 0.000 2.418 373 G HA2 -0.222 -12.842 3.960 -27.633 0.000 0.217 373 G HA3 -0.222 -12.842 3.960 -27.633 0.000 0.217 373 G C 1.415 176.302 174.900 -0.021 0.000 1.158 373 G CA 0.908 45.996 45.100 -0.020 0.000 0.771 373 G HN 0.514 nan 8.290 nan 0.000 0.545 374 E N -0.078 120.108 120.200 -0.024 0.000 2.058 374 E HA -0.120 -12.350 4.350 -27.633 0.000 0.194 374 E C 2.287 178.869 176.600 -0.030 0.000 0.997 374 E CA 0.718 57.106 56.400 -0.020 0.000 0.801 374 E CB -0.431 29.255 29.700 -0.024 0.000 0.746 374 E HN 0.347 nan 8.360 nan 0.000 0.450 375 L N 0.676 121.875 121.223 -0.040 0.000 2.275 375 L HA -0.079 -12.318 4.340 -27.633 0.000 0.215 375 L C 2.154 178.992 176.870 -0.053 0.000 1.119 375 L CA 1.582 56.394 54.840 -0.047 0.000 0.790 375 L CB -0.198 41.848 42.059 -0.022 0.000 0.919 375 L HN -0.019 nan 8.230 nan 0.000 0.443 376 R N -0.425 120.048 120.500 -0.044 0.000 2.062 376 R HA -0.109 -12.348 4.340 -27.633 0.000 0.231 376 R C 2.300 178.558 176.300 -0.070 0.000 1.136 376 R CA 1.895 57.967 56.100 -0.048 0.000 0.948 376 R CB -0.329 29.951 30.300 -0.033 0.000 0.845 376 R HN 0.417 nan 8.270 nan 0.000 0.430 377 I N 0.741 121.275 120.570 -0.059 0.000 2.163 377 I HA -0.323 -12.732 4.170 -27.633 0.000 0.243 377 I C 2.319 178.332 176.117 -0.173 0.000 1.085 377 I CA 1.397 62.651 61.300 -0.077 0.000 1.347 377 I CB -0.247 37.756 38.000 0.006 0.000 1.044 377 I HN 0.241 nan 8.210 nan 0.000 0.408 378 I N 0.659 121.144 120.570 -0.142 0.000 2.118 378 I HA -0.348 -12.758 4.170 -27.633 0.000 0.241 378 I C 2.543 178.508 176.117 -0.254 0.000 1.070 378 I CA 1.677 62.853 61.300 -0.206 0.000 1.327 378 I CB -0.399 37.522 38.000 -0.133 0.000 1.034 378 I HN 0.181 nan 8.210 nan 0.000 0.405 379 K N 0.036 120.331 120.400 -0.175 0.000 2.057 379 K HA -0.192 -12.452 4.320 -27.633 0.000 0.207 379 K C 2.343 178.831 176.600 -0.188 0.000 1.049 379 K CA 1.733 57.927 56.287 -0.155 0.000 0.931 379 K CB -0.304 32.142 32.500 -0.090 0.000 0.714 379 K HN 0.225 nan 8.250 nan 0.000 0.440 380 S N 0.732 116.319 115.700 -0.189 0.000 2.348 380 S HA -0.129 -12.239 4.470 -27.633 0.000 0.221 380 S C 2.057 176.486 174.600 -0.284 0.000 1.033 380 S CA 1.306 59.392 58.200 -0.191 0.000 1.010 380 S CB -0.226 62.883 63.200 -0.152 0.000 0.891 380 S HN 0.090 nan 8.310 nan 0.000 0.442 381 V N 2.198 121.850 119.914 -0.438 0.000 2.407 381 V HA -0.126 -12.586 4.120 -27.633 0.000 0.248 381 V C 2.397 177.971 176.094 -0.867 0.000 1.055 381 V CA 1.788 63.678 62.300 -0.684 0.000 1.049 381 V CB -0.713 30.488 31.823 -1.037 0.000 0.662 381 V HN 0.494 nan 8.190 nan 0.000 0.455 382 L N -0.578 120.235 121.223 -0.684 0.000 2.141 382 L HA -0.174 -12.414 4.340 -27.633 0.000 0.209 382 L C 2.583 179.341 176.870 -0.187 0.000 1.094 382 L CA 1.216 55.774 54.840 -0.470 0.000 0.763 382 L CB -0.539 41.358 42.059 -0.271 0.000 0.908 382 L HN 0.342 nan 8.230 nan 0.000 0.437 383 Q N 0.211 119.896 119.800 -0.192 0.000 2.079 383 Q HA -0.144 -12.384 4.340 -27.633 0.000 0.200 383 Q C 2.331 178.263 176.000 -0.114 0.000 0.974 383 Q CA 2.017 57.747 55.803 -0.120 0.000 0.840 383 Q CB -0.124 28.536 28.738 -0.130 0.000 0.898 383 Q HN 0.319 nan 8.270 nan 0.000 0.430 384 S N -0.468 115.149 115.700 -0.140 0.000 2.368 384 S HA -0.134 -12.244 4.470 -27.633 0.000 0.225 384 S C 1.305 176.008 174.600 0.171 0.000 1.030 384 S CA 1.197 59.351 58.200 -0.077 0.000 0.999 384 S CB -0.448 62.755 63.200 0.004 0.000 0.844 384 S HN 0.502 nan 8.310 nan 0.000 0.459 385 W N 2.034 123.398 121.300 0.107 0.000 2.355 385 W HA 0.079 -11.853 4.660 -27.654 0.000 0.309 385 W C 2.351 179.010 176.519 0.233 0.000 1.206 385 W CA 0.308 57.834 57.345 0.301 0.000 1.284 385 W CB -1.131 28.520 29.460 0.318 0.000 1.145 385 W HN 0.283 nan 8.180 nan 0.000 0.502 386 K N 0.330 120.931 120.400 0.335 0.000 2.057 386 K HA -0.187 -12.447 4.320 -27.633 0.000 0.207 386 K C 1.662 178.335 176.600 0.122 0.000 1.049 386 K CA 1.599 58.007 56.287 0.202 0.000 0.931 386 K CB -0.259 32.306 32.500 0.110 0.000 0.714 386 K HN -0.012 nan 8.250 nan 0.000 0.440 387 N N 0.265 118.967 118.700 0.004 0.000 2.106 387 N HA -0.156 -11.995 4.740 -27.633 0.000 0.188 387 N C 1.541 177.005 175.510 -0.075 0.000 1.029 387 N CA 1.398 54.354 53.050 -0.156 0.000 0.848 387 N CB -0.540 37.690 38.487 -0.427 0.000 1.007 387 N HN 0.354 nan 8.380 nan 0.000 0.423 388 W N 1.367 122.718 121.300 0.085 0.000 2.402 388 W HA -0.080 -12.002 4.660 -27.637 0.000 0.286 388 W C 1.643 178.288 176.519 0.209 0.000 1.221 388 W CA 0.075 57.484 57.345 0.107 0.000 1.257 388 W CB 0.037 29.425 29.460 -0.119 0.000 1.120 388 W HN 0.023 nan 8.180 nan 0.000 0.551 389 D N -0.606 120.065 120.400 0.452 0.000 2.103 389 D HA -0.170 -12.110 4.640 -27.633 0.000 0.199 389 D C 2.215 178.644 176.300 0.215 0.000 0.978 389 D CA 1.628 55.824 54.000 0.326 0.000 0.829 389 D CB -0.823 40.145 40.800 0.281 0.000 0.981 389 D HN -0.073 nan 8.370 nan 0.000 0.464 390 S N -0.503 115.305 115.700 0.180 0.000 2.348 390 S HA -0.261 -12.371 4.470 -27.633 0.000 0.221 390 S C 1.960 176.644 174.600 0.139 0.000 1.033 390 S CA 1.725 59.996 58.200 0.118 0.000 1.010 390 S CB -0.361 62.883 63.200 0.074 0.000 0.891 390 S HN 0.342 nan 8.310 nan 0.000 0.442 391 H N 1.593 120.714 119.070 0.084 0.000 2.252 391 H HA -0.074 -12.098 4.556 -27.634 0.000 0.292 391 H C 1.984 177.391 175.328 0.132 0.000 1.082 391 H CA 2.509 58.616 56.048 0.098 0.000 1.229 391 H CB -0.830 29.042 29.762 0.184 0.000 1.353 391 H HN 0.394 nan 8.280 nan 0.000 0.488 392 L N -0.713 120.504 121.223 -0.009 0.000 2.012 392 L HA -0.202 -12.442 4.340 -27.633 0.000 0.210 392 L C 2.721 179.555 176.870 -0.059 0.000 1.073 392 L CA 1.632 56.414 54.840 -0.097 0.000 0.748 392 L CB -0.699 41.373 42.059 0.022 0.000 0.891 392 L HN 0.265 nan 8.230 nan 0.000 0.431 393 S N -0.327 115.379 115.700 0.010 0.000 2.419 393 S HA -0.134 -12.244 4.470 -27.633 0.000 0.233 393 S C 2.019 176.615 174.600 -0.006 0.000 1.016 393 S CA 1.474 59.680 58.200 0.010 0.000 0.974 393 S CB -0.173 63.049 63.200 0.037 0.000 0.786 393 S HN 0.627 nan 8.310 nan 0.000 0.492 394 S N 0.362 116.056 115.700 -0.010 0.000 2.593 394 S HA 0.245 -11.865 4.470 -27.633 0.000 0.217 394 S C 0.475 175.061 174.600 -0.023 0.000 0.966 394 S CA -0.250 57.947 58.200 -0.004 0.000 0.914 394 S CB -0.475 62.739 63.200 0.023 0.000 0.776 394 S HN 0.362 nan 8.310 nan 0.000 0.523 395 I N 2.195 122.727 120.570 -0.063 0.000 2.533 395 I HA 0.055 -12.354 4.170 -27.633 0.000 0.284 395 I C 0.547 176.643 176.117 -0.035 0.000 1.109 395 I CA -0.518 60.745 61.300 -0.061 0.000 1.412 395 I CB 0.483 38.422 38.000 -0.101 0.000 1.396 395 I HN 0.278 nan 8.210 nan 0.000 0.543 396 c N 7.907 126.495 118.600 -0.020 0.000 2.383 396 c HA 0.247 -11.763 4.570 -27.633 0.000 0.350 396 c C 1.180 175.255 174.090 -0.026 0.000 1.173 396 c CA -0.630 55.688 56.329 -0.017 0.000 1.645 396 c CB -1.457 41.048 42.510 -0.007 0.000 2.221 396 c HN 0.855 nan 8.230 nan 0.000 0.528 397 T N 5.046 119.579 114.554 -0.035 0.000 2.918 397 T HA 0.331 -11.899 4.350 -27.633 0.000 0.302 397 T C -2.556 172.118 174.700 -0.045 0.000 1.045 397 T CA -1.314 60.758 62.100 -0.047 0.000 1.114 397 T CB 0.636 69.472 68.868 -0.052 0.000 0.965 397 T HN 0.547 nan 8.240 nan 0.000 0.540 398 P HA 0.239 nan 4.420 nan 0.000 0.258 398 P C -0.150 177.125 177.300 -0.041 0.000 1.172 398 P CA 0.081 63.149 63.100 -0.054 0.000 0.762 398 P CB -0.041 31.610 31.700 -0.082 0.000 0.764 410 c N 1.151 119.743 118.600 -0.012 0.000 2.529 410 c HA 0.887 -11.123 4.570 -27.633 0.000 0.329 410 c C 1.219 175.297 174.090 -0.019 0.000 1.194 410 c CA -0.152 56.167 56.329 -0.017 0.000 1.779 410 c CB 1.017 43.517 42.510 -0.016 0.000 2.322 410 c HN 0.509 nan 8.230 nan 0.000 0.500 411 G N 1.001 109.786 108.800 -0.025 0.000 2.531 411 G HA2 0.613 -12.006 3.960 -27.633 0.000 0.281 411 G HA3 0.613 -12.006 3.960 -27.633 0.000 0.281 411 G C -2.847 172.037 174.900 -0.026 0.000 1.382 411 G CA -0.759 44.326 45.100 -0.025 0.000 1.045 411 G HN 0.560 nan 8.290 nan 0.000 0.533 412 P HA 0.323 nan 4.420 nan 0.000 0.269 412 P C -0.077 177.203 177.300 -0.033 0.000 1.215 412 P CA -0.002 63.080 63.100 -0.030 0.000 0.780 412 P CB 0.660 32.339 31.700 -0.034 0.000 0.898 413 A N 2.645 125.448 122.820 -0.029 0.000 2.386 413 A HA 0.232 -12.028 4.320 -27.633 0.000 0.248 413 A C 0.022 177.586 177.584 -0.033 0.000 1.082 413 A CA -0.406 51.614 52.037 -0.029 0.000 0.789 413 A CB -0.075 18.913 19.000 -0.019 0.000 1.025 413 A HN 0.397 nan 8.150 nan 0.000 0.490 414 V N 1.685 121.578 119.914 -0.035 0.000 2.599 414 V HA 0.114 -12.345 4.120 -27.633 0.000 0.300 414 V C 1.259 177.347 176.094 -0.009 0.000 1.034 414 V CA 0.554 62.836 62.300 -0.032 0.000 1.115 414 V CB 0.905 32.706 31.823 -0.038 0.000 0.934 414 V HN 0.957 nan 8.190 nan 0.000 0.485 415 T N 3.462 118.011 114.554 -0.008 0.000 2.832 415 T HA 0.224 -12.006 4.350 -27.633 0.000 0.296 415 T C 0.951 175.722 174.700 0.120 0.000 0.968 415 T CA 0.188 62.299 62.100 0.018 0.000 1.107 415 T CB 0.603 69.441 68.868 -0.049 0.000 0.916 415 T HN 1.030 nan 8.240 nan 0.000 0.517 416 T N 1.719 116.322 114.554 0.083 0.000 3.085 416 T HA 0.259 -11.970 4.350 -27.633 0.000 0.264 416 T C 0.345 175.061 174.700 0.027 0.000 1.019 416 T CA -0.319 61.816 62.100 0.058 0.000 0.910 416 T CB 0.049 68.949 68.868 0.053 0.000 1.059 416 T HN 0.360 nan 8.240 nan 0.000 0.542 417 V N 2.355 122.306 119.914 0.061 0.000 2.405 417 V HA 0.572 -11.887 4.120 -27.633 0.000 0.264 417 V C 1.542 177.662 176.094 0.044 0.000 1.048 417 V CA 0.730 63.042 62.300 0.020 0.000 0.966 417 V CB -0.235 31.591 31.823 0.005 0.000 1.015 417 V HN 0.815 nan 8.190 nan 0.000 0.477 418 G N 4.558 113.318 108.800 -0.066 0.000 2.176 418 G HA2 -0.204 -12.824 3.960 -27.633 0.000 0.232 418 G HA3 -0.204 -12.824 3.960 -27.633 0.000 0.232 418 G C -0.115 174.610 174.900 -0.292 0.000 0.986 418 G CA -0.015 45.010 45.100 -0.126 0.000 0.643 418 G HN 0.725 nan 8.290 nan 0.000 0.522 419 L N 2.042 122.989 121.223 -0.460 0.000 2.456 419 L HA 0.607 -11.632 4.340 -27.633 0.000 0.277 419 L C 1.366 177.728 176.870 -0.846 0.000 1.124 419 L CA 0.403 54.677 54.840 -0.942 0.000 0.880 419 L CB 1.206 42.768 42.059 -0.829 0.000 1.192 419 L HN 0.031 nan 8.230 nan 0.000 0.463 420 V N 4.396 123.862 119.914 -0.747 0.000 2.672 420 V HA 0.415 -12.044 4.120 -27.633 0.000 0.242 420 V C 1.088 176.951 176.094 -0.386 0.000 1.059 420 V CA 0.885 62.835 62.300 -0.584 0.000 1.081 420 V CB -0.117 31.417 31.823 -0.482 0.000 0.752 420 V HN 0.853 nan 8.190 nan 0.000 0.472 421 G N -1.313 107.350 108.800 -0.230 0.000 2.612 421 G HA2 0.628 -11.992 3.960 -27.633 0.000 0.298 421 G HA3 0.628 -11.992 3.960 -27.633 0.000 0.298 421 G C -1.876 173.325 174.900 0.501 0.000 1.336 421 G CA -0.412 44.871 45.100 0.305 0.000 0.953 421 G HN 0.041 nan 8.290 nan 0.000 0.482 422 F N 1.813 121.987 119.950 0.373 0.000 2.653 422 F HA 0.496 -11.559 4.527 -27.636 0.000 0.327 422 F C -1.186 174.511 175.800 -0.172 0.000 1.195 422 F CA -1.120 56.929 58.000 0.082 0.000 0.993 422 F CB 1.348 40.397 39.000 0.083 0.000 1.259 422 F HN 0.221 nan 8.300 nan 0.000 0.478 423 L N 6.258 127.217 121.223 -0.440 0.000 2.265 423 L HA 0.446 -11.794 4.340 -27.633 0.000 0.289 423 L C 0.067 176.481 176.870 -0.760 0.000 1.033 423 L CA -0.053 54.167 54.840 -1.032 0.000 0.814 423 L CB 1.443 42.244 42.059 -2.096 0.000 1.203 423 L HN 0.644 nan 8.230 nan 0.000 0.423 424 S N 0.467 115.862 115.700 -0.508 0.000 4.383 424 S HA 0.129 -11.980 4.470 -27.633 0.000 0.216 424 S C 1.134 175.805 174.600 0.119 0.000 1.122 424 S CA -0.006 58.015 58.200 -0.297 0.000 1.745 424 S CB 0.153 62.760 63.200 -0.989 0.000 1.094 424 S HN 0.783 nan 8.310 nan 0.000 0.754 425 H N 1.610 120.619 119.070 -0.101 0.000 2.321 425 H HA 0.320 -11.704 4.556 -27.633 0.000 0.300 425 H C 0.506 175.832 175.328 -0.003 0.000 1.087 425 H CA 1.924 57.954 56.048 -0.029 0.000 1.319 425 H CB -0.521 29.220 29.762 -0.035 0.000 1.379 425 H HN 0.273 nan 8.280 nan 0.000 0.501 426 S N 0.575 116.278 115.700 0.005 0.000 2.498 426 S HA 0.472 -11.638 4.470 -27.633 0.000 0.281 426 S C -0.373 174.242 174.600 0.026 0.000 1.265 426 S CA 0.170 58.361 58.200 -0.015 0.000 1.071 426 S CB 0.440 63.673 63.200 0.056 0.000 0.894 426 S HN 0.610 nan 8.310 nan 0.000 0.491 427 A N 3.165 125.942 122.820 -0.071 0.000 2.547 427 A HA 0.733 -11.527 4.320 -27.633 0.000 0.297 427 A C 0.085 177.623 177.584 -0.076 0.000 1.056 427 A CA -0.910 51.087 52.037 -0.067 0.000 0.688 427 A CB 1.159 19.997 19.000 -0.270 0.000 1.282 427 A HN 0.686 nan 8.150 nan 0.000 0.400 428 T N -0.940 113.597 114.554 -0.028 0.000 2.892 428 T HA 0.477 -11.753 4.350 -27.633 0.000 0.280 428 T C 1.135 175.810 174.700 -0.042 0.000 1.004 428 T CA 0.006 62.090 62.100 -0.026 0.000 0.950 428 T CB 0.759 69.634 68.868 0.011 0.000 1.309 428 T HN 0.550 nan 8.240 nan 0.000 0.592 429 K N 0.442 120.824 120.400 -0.030 0.000 2.103 429 K HA -0.080 -12.340 4.320 -27.633 0.000 0.207 429 K C 1.995 178.586 176.600 -0.016 0.000 1.048 429 K CA 2.387 58.654 56.287 -0.033 0.000 0.930 429 K CB -0.908 31.580 32.500 -0.020 0.000 0.716 429 K HN 0.845 nan 8.250 nan 0.000 0.444 430 T N -3.281 111.279 114.554 0.010 0.000 3.003 430 T HA 0.286 -11.944 4.350 -27.633 0.000 0.261 430 T C -0.042 174.696 174.700 0.064 0.000 1.003 430 T CA -0.566 61.554 62.100 0.034 0.000 0.917 430 T CB 0.280 69.171 68.868 0.037 0.000 1.084 430 T HN 0.062 nan 8.240 nan 0.000 0.522 431 E N 0.231 120.471 120.200 0.066 0.000 2.266 431 E HA 0.372 -11.857 4.350 -27.633 0.000 0.268 431 E C -1.778 174.919 176.600 0.160 0.000 0.879 431 E CA -0.965 55.506 56.400 0.118 0.000 0.762 431 E CB 1.682 31.450 29.700 0.114 0.000 1.199 431 E HN 0.204 nan 8.360 nan 0.000 0.422 432 W N 3.403 124.686 121.300 -0.028 0.000 2.316 432 W HA 0.230 -11.688 4.660 -27.630 0.000 0.308 432 W C -0.495 175.971 176.519 -0.089 0.000 1.106 432 W CA -0.921 56.374 57.345 -0.084 0.000 1.262 432 W CB 0.534 29.924 29.460 -0.115 0.000 1.233 432 W HN 0.534 nan 8.180 nan 0.000 0.447 433 E N 3.034 123.394 120.200 0.266 0.000 2.259 433 E HA -0.010 -12.240 4.350 -27.633 0.000 0.281 433 E C -0.557 176.052 176.600 0.015 0.000 1.027 433 E CA -0.407 56.065 56.400 0.121 0.000 0.838 433 E CB 1.109 30.882 29.700 0.122 0.000 1.066 433 E HN 0.194 nan 8.360 nan 0.000 0.401 434 D N 1.880 122.340 120.400 0.101 0.000 2.348 434 D HA 0.084 -11.856 4.640 -27.633 0.000 0.253 434 D C 0.505 176.904 176.300 0.165 0.000 1.161 434 D CA -0.034 54.078 54.000 0.186 0.000 0.876 434 D CB 1.319 42.366 40.800 0.412 0.000 1.160 434 D HN 0.473 nan 8.370 nan 0.000 0.459 435 A N 3.814 126.655 122.820 0.035 0.000 2.067 435 A HA -0.161 -12.420 4.320 -27.633 0.000 0.219 435 A C 1.391 178.997 177.584 0.038 0.000 1.158 435 A CA 0.931 52.898 52.037 -0.116 0.000 0.661 435 A CB -0.614 17.990 19.000 -0.660 0.000 0.801 435 A HN 0.731 nan 8.150 nan 0.000 0.452 436 Y N -0.914 119.591 120.300 0.343 0.000 2.490 436 Y HA 0.151 -11.880 4.550 -27.634 0.000 0.281 436 Y C 0.843 177.098 175.900 0.592 0.000 1.174 436 Y CA 0.489 58.874 58.100 0.476 0.000 1.295 436 Y CB -0.034 38.551 38.460 0.209 0.000 1.062 436 Y HN 0.356 nan 8.280 nan 0.000 0.522 437 R N -2.625 118.186 120.500 0.518 0.000 3.758 437 R HA -0.266 -12.506 4.340 -27.633 0.000 0.299 437 R C 0.478 177.143 176.300 0.608 0.000 1.182 437 R CA 0.721 57.112 56.100 0.485 0.000 0.809 437 R CB -2.663 27.873 30.300 0.393 0.000 1.249 437 R HN 0.428 nan 8.270 nan 0.000 0.497 438 C N -1.395 118.250 119.300 0.574 0.000 2.478 438 C HA 0.261 -11.859 4.460 -27.633 0.000 0.397 438 C C 0.721 175.907 174.990 0.326 0.000 1.360 438 C CA 0.272 59.597 59.018 0.512 0.000 2.191 438 C CB 0.858 28.911 27.740 0.521 0.000 2.654 438 C HN 0.273 nan 8.230 nan 0.000 0.548 439 V N 2.987 123.115 119.914 0.358 0.000 2.532 439 V HA 0.379 -12.081 4.120 -27.633 0.000 0.294 439 V C -1.317 175.073 176.094 0.494 0.000 1.036 439 V CA -0.510 61.969 62.300 0.299 0.000 0.876 439 V CB 1.353 33.179 31.823 0.005 0.000 1.012 439 V HN 0.330 nan 8.190 nan 0.000 0.432 440 N N 2.333 121.230 118.700 0.328 0.000 2.463 440 N HA 0.767 -11.073 4.740 -27.633 0.000 0.270 440 N C -0.023 175.632 175.510 0.243 0.000 1.205 440 N CA -0.241 52.955 53.050 0.244 0.000 0.974 440 N CB 1.829 40.425 38.487 0.181 0.000 1.197 440 N HN 0.877 nan 8.380 nan 0.000 0.504 441 A N -0.038 122.833 122.820 0.085 0.000 2.330 441 A HA 0.549 -11.711 4.320 -27.633 0.000 0.327 441 A C 0.017 177.707 177.584 0.178 0.000 1.155 441 A CA -0.683 51.416 52.037 0.104 0.000 0.803 441 A CB 0.290 19.220 19.000 -0.115 0.000 1.208 441 A HN 0.634 nan 8.150 nan 0.000 0.477 442 S N 1.327 117.129 115.700 0.171 0.000 2.586 442 S HA 0.699 -11.410 4.470 -27.633 0.000 0.274 442 S C 0.243 174.940 174.600 0.162 0.000 1.281 442 S CA 0.199 58.484 58.200 0.142 0.000 1.035 442 S CB 1.002 64.262 63.200 0.100 0.000 0.962 442 S HN 1.433 nan 8.310 nan 0.000 0.512 443 T N -1.921 112.722 114.554 0.147 0.000 2.916 443 T HA 0.861 -11.369 4.350 -27.633 0.000 0.292 443 T C -0.693 174.085 174.700 0.130 0.000 1.064 443 T CA -0.797 61.410 62.100 0.177 0.000 1.011 443 T CB 1.516 70.513 68.868 0.214 0.000 1.152 443 T HN 1.465 nan 8.240 nan 0.000 0.510 444 A N 1.323 124.240 122.820 0.162 0.000 2.488 444 A HA 0.716 -11.544 4.320 -27.633 0.000 0.298 444 A C -0.241 177.449 177.584 0.177 0.000 1.044 444 A CA -0.991 51.119 52.037 0.121 0.000 0.693 444 A CB 0.634 19.684 19.000 0.083 0.000 1.272 444 A HN 0.996 nan 8.150 nan 0.000 0.402 445 N N -1.128 117.639 118.700 0.111 0.000 2.727 445 N HA -0.165 -12.005 4.740 -27.633 0.000 0.249 445 N C -0.150 175.427 175.510 0.111 0.000 1.048 445 N CA 1.407 54.519 53.050 0.103 0.000 0.714 445 N CB -1.268 37.293 38.487 0.123 0.000 0.959 445 N HN 1.483 nan 8.380 nan 0.000 0.544 446 A N -0.165 122.664 122.820 0.015 0.000 2.337 446 A HA 0.655 -11.605 4.320 -27.633 0.000 0.329 446 A C -0.022 177.390 177.584 -0.287 0.000 1.146 446 A CA -0.625 51.259 52.037 -0.254 0.000 0.800 446 A CB 1.399 20.178 19.000 -0.369 0.000 1.220 446 A HN 0.244 nan 8.150 nan 0.000 0.472 447 E N 2.007 121.982 120.200 -0.376 0.000 2.165 447 E HA 0.371 -11.859 4.350 -27.633 0.000 0.266 447 E C -0.527 175.857 176.600 -0.360 0.000 0.889 447 E CA -0.659 55.569 56.400 -0.287 0.000 0.756 447 E CB 0.804 30.375 29.700 -0.215 0.000 1.131 447 E HN 0.646 nan 8.360 nan 0.000 0.411 448 R N 2.261 122.574 120.500 -0.310 0.000 2.489 448 R HA 0.188 -12.052 4.340 -27.633 0.000 0.287 448 R C 0.056 176.207 176.300 -0.250 0.000 1.053 448 R CA -0.059 55.841 56.100 -0.333 0.000 1.036 448 R CB 0.584 30.707 30.300 -0.296 0.000 0.966 448 R HN 0.405 nan 8.270 nan 0.000 0.432 449 V N 0.655 120.425 119.914 -0.240 0.000 3.141 449 V HA 0.569 -11.891 4.120 -27.633 0.000 0.312 449 V C -2.622 173.455 176.094 -0.028 0.000 1.157 449 V CA -3.265 58.962 62.300 -0.121 0.000 1.041 449 V CB 1.978 33.735 31.823 -0.111 0.000 1.071 449 V HN 0.519 nan 8.190 nan 0.000 0.441 450 P HA 0.176 nan 4.420 nan 0.000 0.262 450 P C -0.043 177.369 177.300 0.187 0.000 1.182 450 P CA 0.773 63.984 63.100 0.185 0.000 0.761 450 P CB -0.092 31.657 31.700 0.081 0.000 0.795 451 N N 1.034 119.946 118.700 0.352 0.000 2.693 451 N HA -0.184 -12.024 4.740 -27.633 0.000 0.249 451 N C 0.560 176.179 175.510 0.181 0.000 1.119 451 N CA 1.773 54.950 53.050 0.213 0.000 0.717 451 N CB -1.365 37.209 38.487 0.144 0.000 1.071 451 N HN 0.724 nan 8.380 nan 0.000 0.555 452 G N -1.578 107.260 108.800 0.062 0.000 2.364 452 G HA2 0.560 -12.060 3.960 -27.633 0.000 0.286 452 G HA3 0.560 -12.060 3.960 -27.633 0.000 0.286 452 G C -1.770 172.830 174.900 -0.501 0.000 1.241 452 G CA -0.695 44.383 45.100 -0.037 0.000 0.887 452 G HN 0.101 nan 8.290 nan 0.000 0.484 453 L N -0.131 120.652 121.223 -0.733 0.000 2.393 453 L HA 0.677 -11.562 4.340 -27.633 0.000 0.260 453 L C -0.572 175.799 176.870 -0.832 0.000 1.002 453 L CA -0.893 53.366 54.840 -0.968 0.000 0.818 453 L CB 2.773 43.899 42.059 -1.554 0.000 1.369 453 L HN 0.585 nan 8.230 nan 0.000 0.412 454 K N 1.527 121.467 120.400 -0.767 0.000 2.358 454 K HA 0.649 -11.611 4.320 -27.633 0.000 0.260 454 K C -1.567 174.703 176.600 -0.549 0.000 0.956 454 K CA -0.336 55.682 56.287 -0.449 0.000 0.834 454 K CB 1.038 33.396 32.500 -0.237 0.000 1.102 454 K HN 0.278 nan 8.250 nan 0.000 0.431 455 F N 1.943 121.888 119.950 -0.008 0.000 2.557 455 F HA 0.822 -11.231 4.527 -27.634 0.000 0.336 455 F C 0.124 175.943 175.800 0.033 0.000 1.058 455 F CA -0.756 57.243 58.000 -0.002 0.000 0.988 455 F CB 2.257 41.264 39.000 0.011 0.000 1.275 455 F HN 0.589 nan 8.300 nan 0.000 0.488 456 A N 0.485 123.450 122.820 0.242 0.000 2.581 456 A HA 0.636 -11.624 4.320 -27.633 0.000 0.294 456 A C -0.605 177.047 177.584 0.112 0.000 1.035 456 A CA -0.232 51.895 52.037 0.149 0.000 0.684 456 A CB 0.772 19.830 19.000 0.097 0.000 1.282 456 A HN 2.001 nan 8.150 nan 0.000 0.417 457 G N -0.679 108.174 108.800 0.088 0.000 2.712 457 G HA2 0.369 -12.251 3.960 -27.633 0.000 0.686 457 G HA3 0.369 -12.251 3.960 -27.633 0.000 0.686 457 G C -0.404 174.533 174.900 0.060 0.000 1.181 457 G CA -0.445 44.695 45.100 0.066 0.000 0.762 457 G HN 1.910 nan 8.290 nan 0.000 0.641 458 V N 2.171 122.114 119.914 0.048 0.000 2.694 458 V HA 0.384 -12.076 4.120 -27.633 0.000 0.306 458 V C 2.047 178.170 176.094 0.047 0.000 1.054 458 V CA 2.317 64.644 62.300 0.045 0.000 1.161 458 V CB 0.720 32.565 31.823 0.036 0.000 0.916 458 V HN 2.838 nan 8.190 nan 0.000 0.490 459 G N 3.501 112.332 108.800 0.052 0.000 2.179 459 G HA2 -0.162 -12.782 3.960 -27.633 0.000 0.260 459 G HA3 -0.162 -12.782 3.960 -27.633 0.000 0.260 459 G C 0.555 175.485 174.900 0.051 0.000 0.977 459 G CA 0.004 45.134 45.100 0.050 0.000 0.641 459 G HN 1.388 nan 8.290 nan 0.000 0.533 460 G N -0.526 108.307 108.800 0.054 0.000 2.539 460 G HA2 0.794 -11.826 3.960 -27.633 0.000 0.258 460 G HA3 0.794 -11.826 3.960 -27.633 0.000 0.258 460 G C 0.631 175.496 174.900 -0.058 0.000 1.202 460 G CA 0.972 46.115 45.100 0.071 0.000 0.851 460 G HN 1.892 nan 8.290 nan 0.000 0.556 461 G N -1.457 107.210 108.800 -0.221 0.000 2.347 461 G HA2 0.550 -12.069 3.960 -27.633 0.000 0.341 461 G HA3 0.550 -12.069 3.960 -27.633 0.000 0.341 461 G C -0.754 173.853 174.900 -0.488 0.000 1.287 461 G CA -0.024 44.631 45.100 -0.742 0.000 0.984 461 G HN 1.943 nan 8.290 nan 0.000 0.526 462 A N -0.903 121.714 122.820 -0.338 0.000 2.401 462 A HA 0.909 -11.351 4.320 -27.633 0.000 0.310 462 A C -0.861 176.827 177.584 0.173 0.000 1.075 462 A CA -0.392 51.699 52.037 0.089 0.000 0.746 462 A CB 1.918 21.155 19.000 0.396 0.000 1.277 462 A HN 1.980 nan 8.150 nan 0.000 0.425 463 L N 1.689 123.038 121.223 0.210 0.000 2.372 463 L HA 0.537 -11.702 4.340 -27.633 0.000 0.273 463 L C -1.745 175.327 176.870 0.337 0.000 0.989 463 L CA -0.425 54.573 54.840 0.264 0.000 0.841 463 L CB 0.963 43.081 42.059 0.097 0.000 1.225 463 L HN 0.808 nan 8.230 nan 0.000 0.414 464 W N 9.003 130.453 121.300 0.250 0.000 2.317 464 W HA 0.422 -11.493 4.660 -27.625 0.000 0.327 464 W C -2.238 174.424 176.519 0.239 0.000 1.036 464 W CA -2.805 54.693 57.345 0.255 0.000 1.419 464 W CB 0.718 30.377 29.460 0.332 0.000 1.253 464 W HN 0.311 nan 8.180 nan 0.000 0.392 465 P HA 0.031 nan 4.420 nan 0.000 0.271 465 P C 0.016 177.294 177.300 -0.037 0.000 1.216 465 P CA 0.373 63.545 63.100 0.119 0.000 0.776 465 P CB 2.352 34.085 31.700 0.054 0.000 0.881 466 V N 2.614 122.465 119.914 -0.105 0.000 3.949 466 V HA -0.041 -12.501 4.120 -27.633 0.000 0.195 466 V C 2.486 178.475 176.094 -0.175 0.000 1.114 466 V CA 1.439 63.613 62.300 -0.211 0.000 1.384 466 V CB -1.187 30.388 31.823 -0.414 0.000 1.685 466 V HN 0.616 nan 8.190 nan 0.000 0.492 467 S N -0.219 115.386 115.700 -0.158 0.000 2.474 467 S HA -0.176 -12.286 4.470 -27.633 0.000 0.235 467 S C 1.642 176.202 174.600 -0.067 0.000 0.997 467 S CA 0.946 59.084 58.200 -0.103 0.000 0.949 467 S CB -0.347 62.798 63.200 -0.092 0.000 0.766 467 S HN 0.513 nan 8.310 nan 0.000 0.517 468 Q N 1.309 121.078 119.800 -0.053 0.000 2.436 468 Q HA 0.077 -12.163 4.340 -27.633 0.000 0.209 468 Q C 1.919 177.898 176.000 -0.036 0.000 0.965 468 Q CA 0.815 56.597 55.803 -0.035 0.000 0.910 468 Q CB -0.555 28.168 28.738 -0.026 0.000 0.980 468 Q HN 0.761 nan 8.270 nan 0.000 0.491 469 Q N -0.484 119.280 119.800 -0.060 0.000 2.291 469 Q HA 0.007 -12.233 4.340 -27.633 0.000 0.205 469 Q C 0.811 176.801 176.000 -0.017 0.000 0.970 469 Q CA 0.737 56.509 55.803 -0.053 0.000 0.876 469 Q CB 0.164 28.831 28.738 -0.119 0.000 0.935 469 Q HN 0.458 nan 8.270 nan 0.000 0.455 470 G N 0.374 109.159 108.800 -0.026 0.000 2.709 470 G HA2 -0.389 -13.009 3.960 -27.633 0.000 0.228 470 G HA3 -0.389 -13.009 3.960 -27.633 0.000 0.228 470 G C 0.295 175.195 174.900 0.001 0.000 1.215 470 G CA 0.183 45.279 45.100 -0.006 0.000 1.003 470 G HN 0.279 nan 8.290 nan 0.000 0.584 471 Q N 0.574 120.398 119.800 0.041 0.000 2.050 471 Q HA -0.041 -12.281 4.340 -27.633 0.000 0.202 471 Q C 0.741 176.752 176.000 0.019 0.000 0.980 471 Q CA 1.784 57.622 55.803 0.059 0.000 0.840 471 Q CB -0.200 28.626 28.738 0.147 0.000 0.898 471 Q HN 0.587 nan 8.270 nan 0.000 0.424 472 N N 0.913 119.630 118.700 0.029 0.000 2.476 472 N HA 0.190 -11.649 4.740 -27.633 0.000 0.257 472 N C -1.626 173.785 175.510 -0.166 0.000 0.970 472 N CA -0.167 52.817 53.050 -0.111 0.000 0.938 472 N CB 1.519 39.978 38.487 -0.046 0.000 1.144 472 N HN 0.078 nan 8.380 nan 0.000 0.500 473 Q N 1.795 121.441 119.800 -0.257 0.000 2.509 473 Q HA 0.250 -11.990 4.340 -27.633 0.000 0.236 473 Q C 0.425 176.263 176.000 -0.271 0.000 1.073 473 Q CA -0.343 55.330 55.803 -0.217 0.000 0.867 473 Q CB 1.192 29.859 28.738 -0.117 0.000 1.181 473 Q HN 0.470 nan 8.270 nan 0.000 0.526 474 R N 0.726 121.060 120.500 -0.277 0.000 2.237 474 R HA -0.073 -12.313 4.340 -27.633 0.000 0.219 474 R C 0.562 176.920 176.300 0.097 0.000 1.080 474 R CA 1.100 57.094 56.100 -0.178 0.000 0.995 474 R CB 0.274 30.497 30.300 -0.130 0.000 0.875 474 R HN 0.603 nan 8.270 nan 0.000 0.462 475 Y N -0.667 119.447 120.300 -0.310 0.000 2.658 475 Y HA 0.085 -11.944 4.550 -27.631 0.000 0.276 475 Y C 1.763 177.170 175.900 -0.823 0.000 1.167 475 Y CA -0.680 56.986 58.100 -0.724 0.000 1.230 475 Y CB 0.183 38.261 38.460 -0.637 0.000 1.144 475 Y HN 0.198 nan 8.280 nan 0.000 0.529 476 H N 1.187 120.050 119.070 -0.346 0.000 2.457 476 H HA -0.202 -12.223 4.556 -27.628 0.000 0.297 476 H C 1.773 176.993 175.328 -0.181 0.000 1.092 476 H CA 1.826 57.721 56.048 -0.255 0.000 1.309 476 H CB -0.110 29.544 29.762 -0.180 0.000 1.382 476 H HN 0.621 nan 8.280 nan 0.000 0.535 477 F N -0.068 119.940 119.950 0.097 0.000 2.307 477 F HA -0.047 -12.109 4.527 -27.647 0.000 0.301 477 F C 2.481 178.350 175.800 0.114 0.000 1.076 477 F CA 0.803 58.878 58.000 0.124 0.000 1.383 477 F CB -0.721 38.293 39.000 0.023 0.000 1.055 477 F HN 0.090 nan 8.300 nan 0.000 0.526 478 A N 1.184 123.685 122.820 -0.532 0.000 2.070 478 A HA -0.162 -12.422 4.320 -27.633 0.000 0.220 478 A C 1.929 179.520 177.584 0.012 0.000 1.159 478 A CA 1.464 53.420 52.037 -0.135 0.000 0.656 478 A CB -0.860 17.864 19.000 -0.459 0.000 0.800 478 A HN 0.529 nan 8.150 nan 0.000 0.453 479 N N -0.564 117.989 118.700 -0.244 0.000 2.512 479 N HA -0.086 -11.926 4.740 -27.633 0.000 0.183 479 N C 0.939 176.149 175.510 -0.500 0.000 1.073 479 N CA 1.000 53.821 53.050 -0.383 0.000 0.911 479 N CB -0.214 37.906 38.487 -0.611 0.000 0.964 479 N HN 0.691 nan 8.380 nan 0.000 0.447 480 H N -0.901 118.203 119.070 0.058 0.000 2.695 480 H HA 0.490 -11.535 4.556 -27.636 0.000 0.267 480 H C 0.393 175.775 175.328 0.090 0.000 0.973 480 H CA 0.405 56.497 56.048 0.072 0.000 1.223 480 H CB 1.230 31.039 29.762 0.079 0.000 1.442 480 H HN 0.064 nan 8.280 nan 0.000 0.478 481 A N 0.670 123.648 122.820 0.263 0.000 2.590 481 A HA 0.468 -11.791 4.320 -27.633 0.000 0.296 481 A C -1.803 175.990 177.584 0.350 0.000 1.050 481 A CA -0.617 51.524 52.037 0.172 0.000 0.697 481 A CB 0.789 19.847 19.000 0.096 0.000 1.277 481 A HN 0.221 nan 8.150 nan 0.000 0.411 482 F N -1.524 118.503 119.950 0.127 0.000 2.807 482 F HA 0.854 -11.199 4.527 -27.632 0.000 0.316 482 F C -0.891 174.938 175.800 0.048 0.000 1.162 482 F CA -0.578 57.505 58.000 0.138 0.000 0.910 482 F CB 1.155 40.276 39.000 0.202 0.000 1.314 482 F HN 0.518 nan 8.300 nan 0.000 0.454 483 T N 2.902 117.634 114.554 0.296 0.000 2.937 483 T HA 0.597 -11.633 4.350 -27.633 0.000 0.297 483 T C -1.916 172.940 174.700 0.260 0.000 0.991 483 T CA -0.343 61.846 62.100 0.147 0.000 0.990 483 T CB 1.479 70.328 68.868 -0.032 0.000 0.991 483 T HN 0.782 nan 8.240 nan 0.000 0.440 484 L N 5.223 126.578 121.223 0.219 0.000 2.305 484 L HA 0.795 -11.445 4.340 -27.633 0.000 0.284 484 L C -1.051 175.829 176.870 0.018 0.000 1.013 484 L CA -0.472 54.387 54.840 0.030 0.000 0.819 484 L CB 1.283 43.276 42.059 -0.110 0.000 1.227 484 L HN 0.461 nan 8.230 nan 0.000 0.417 485 V N 3.992 123.916 119.914 0.016 0.000 2.680 485 V HA 1.006 -11.454 4.120 -27.633 0.000 0.309 485 V C -0.199 175.862 176.094 -0.055 0.000 1.052 485 V CA -0.288 61.990 62.300 -0.037 0.000 0.908 485 V CB 1.313 33.162 31.823 0.044 0.000 1.001 485 V HN 0.992 nan 8.190 nan 0.000 0.431 486 A N 2.528 125.252 122.820 -0.160 0.000 2.605 486 A HA 0.807 -11.453 4.320 -27.633 0.000 0.294 486 A C -0.761 176.756 177.584 -0.112 0.000 1.062 486 A CA -0.523 51.472 52.037 -0.070 0.000 0.682 486 A CB 1.864 20.856 19.000 -0.015 0.000 1.278 486 A HN 0.636 nan 8.150 nan 0.000 0.410 487 S N 0.056 115.785 115.700 0.048 0.000 2.489 487 S HA 0.716 -11.394 4.470 -27.633 0.000 0.291 487 S C -0.096 174.571 174.600 0.110 0.000 1.151 487 S CA -0.198 58.069 58.200 0.112 0.000 1.082 487 S CB 1.211 64.521 63.200 0.183 0.000 1.019 487 S HN 1.776 nan 8.310 nan 0.000 0.492 488 V N 0.678 120.660 119.914 0.113 0.000 3.078 488 V HA 0.903 -11.556 4.120 -27.633 0.000 0.311 488 V C -0.652 175.485 176.094 0.071 0.000 1.138 488 V CA -0.602 61.747 62.300 0.081 0.000 1.007 488 V CB 2.009 33.858 31.823 0.043 0.000 1.045 488 V HN 0.683 nan 8.190 nan 0.000 0.432 489 T N 3.703 118.224 114.554 -0.056 0.000 3.011 489 T HA 0.619 -11.611 4.350 -27.633 0.000 0.303 489 T C -0.618 173.782 174.700 -0.500 0.000 0.997 489 T CA -0.108 61.897 62.100 -0.157 0.000 1.007 489 T CB 1.172 69.978 68.868 -0.102 0.000 1.017 489 T HN 0.697 nan 8.240 nan 0.000 0.443 490 I N 3.662 123.941 120.570 -0.485 0.000 2.342 490 I HA 0.279 -12.130 4.170 -27.633 0.000 0.291 490 I C 1.006 176.880 176.117 -0.405 0.000 1.010 490 I CA -0.644 60.258 61.300 -0.662 0.000 1.308 490 I CB 0.971 38.326 38.000 -1.076 0.000 1.400 490 I HN 0.747 nan 8.210 nan 0.000 0.488 491 H N 4.487 123.522 119.070 -0.058 0.000 2.592 491 H HA 0.342 -11.682 4.556 -27.633 0.000 0.265 491 H C -0.237 175.129 175.328 0.064 0.000 0.955 491 H CA 0.353 56.414 56.048 0.022 0.000 1.175 491 H CB 0.527 30.299 29.762 0.017 0.000 1.433 491 H HN 0.554 nan 8.280 nan 0.000 0.537 492 E N 0.743 121.039 120.200 0.159 0.000 2.321 492 E HA 0.225 -12.005 4.350 -27.633 0.000 0.281 492 E C -0.921 175.823 176.600 0.240 0.000 0.910 492 E CA -0.497 56.012 56.400 0.183 0.000 0.770 492 E CB 3.463 33.263 29.700 0.166 0.000 1.225 492 E HN -0.172 nan 8.360 nan 0.000 0.417 493 V N 4.503 124.560 119.914 0.238 0.000 2.529 493 V HA 0.094 -12.366 4.120 -27.633 0.000 0.292 493 V C -1.523 174.703 176.094 0.221 0.000 1.028 493 V CA -0.733 61.722 62.300 0.258 0.000 1.074 493 V CB -0.212 31.668 31.823 0.095 0.000 0.958 493 V HN 0.555 nan 8.190 nan 0.000 0.481 494 P HA 0.254 nan 4.420 nan 0.000 0.276 494 P C 0.306 177.646 177.300 0.066 0.000 1.252 494 P CA -0.558 62.614 63.100 0.119 0.000 0.802 494 P CB 1.367 33.061 31.700 -0.009 0.000 1.035 495 K N 0.217 120.639 120.400 0.037 0.000 2.097 495 K HA -0.012 -12.272 4.320 -27.633 0.000 0.205 495 K C 1.644 178.252 176.600 0.013 0.000 1.050 495 K CA 1.872 58.176 56.287 0.028 0.000 0.938 495 K CB -0.292 32.221 32.500 0.023 0.000 0.718 495 K HN 0.674 nan 8.250 nan 0.000 0.442 496 G N -0.267 108.526 108.800 -0.011 0.000 2.506 496 G HA2 0.484 -12.136 3.960 -27.633 0.000 0.188 496 G HA3 0.484 -12.136 3.960 -27.633 0.000 0.188 496 G C -1.172 173.699 174.900 -0.048 0.000 1.780 496 G CA 0.251 45.340 45.100 -0.018 0.000 0.727 496 G HN 0.235 nan 8.290 nan 0.000 0.784 497 A N -0.026 122.741 122.820 -0.089 0.000 2.414 497 A HA 0.764 -11.496 4.320 -27.633 0.000 0.286 497 A C -0.810 176.628 177.584 -0.244 0.000 1.073 497 A CA -0.207 51.737 52.037 -0.155 0.000 0.727 497 A CB 1.604 20.562 19.000 -0.070 0.000 1.215 497 A HN 0.455 nan 8.150 nan 0.000 0.430 498 S N 3.637 119.015 115.700 -0.535 0.000 2.537 498 S HA 0.791 -11.319 4.470 -27.633 0.000 0.301 498 S C -2.738 171.558 174.600 -0.506 0.000 1.092 498 S CA -1.220 56.650 58.200 -0.551 0.000 1.048 498 S CB 1.806 64.617 63.200 -0.647 0.000 1.053 498 S HN 0.678 nan 8.310 nan 0.000 0.501 499 P HA 0.245 nan 4.420 nan 0.000 0.278 499 P C -0.082 177.254 177.300 0.061 0.000 1.238 499 P CA -0.361 62.612 63.100 -0.212 0.000 0.794 499 P CB 1.189 32.385 31.700 -0.839 0.000 0.955 500 L N 1.859 123.207 121.223 0.209 0.000 2.586 500 L HA 0.358 -11.882 4.340 -27.633 0.000 0.204 500 L C 0.052 176.978 176.870 0.094 0.000 1.053 500 L CA 0.260 55.217 54.840 0.195 0.000 0.856 500 L CB 0.506 42.696 42.059 0.218 0.000 1.192 500 L HN 0.272 nan 8.230 nan 0.000 0.484 501 L N -0.466 120.768 121.223 0.018 0.000 2.545 501 L HA 0.759 -11.481 4.340 -27.633 0.000 0.258 501 L C -1.000 175.592 176.870 -0.464 0.000 0.942 501 L CA 0.137 54.856 54.840 -0.201 0.000 0.855 501 L CB 1.985 43.983 42.059 -0.101 0.000 1.374 501 L HN 0.064 nan 8.230 nan 0.000 0.411 502 G N 2.209 110.461 108.800 -0.912 0.000 2.356 502 G HA2 0.683 -11.937 3.960 -27.633 0.000 0.294 502 G HA3 0.683 -11.937 3.960 -27.633 0.000 0.294 502 G C -2.132 172.479 174.900 -0.482 0.000 1.423 502 G CA -0.158 44.499 45.100 -0.738 0.000 0.806 502 G HN 0.926 nan 8.290 nan 0.000 0.527 503 A N 0.122 122.891 122.820 -0.085 0.000 2.273 503 A HA 0.811 -11.448 4.320 -27.633 0.000 0.315 503 A C 0.206 177.736 177.584 -0.089 0.000 1.256 503 A CA 0.032 51.977 52.037 -0.153 0.000 0.851 503 A CB 1.248 20.185 19.000 -0.106 0.000 1.172 503 A HN 1.605 nan 8.150 nan 0.000 0.508 504 S N 1.944 117.505 115.700 -0.233 0.000 2.541 504 S HA 0.534 -11.575 4.470 -27.633 0.000 0.283 504 S C 0.773 175.219 174.600 -0.257 0.000 1.196 504 S CA -0.643 57.434 58.200 -0.205 0.000 1.062 504 S CB 0.542 63.502 63.200 -0.400 0.000 1.009 504 S HN 0.599 nan 8.310 nan 0.000 0.502 505 L N 2.389 123.525 121.223 -0.145 0.000 2.477 505 L HA 0.247 -11.993 4.340 -27.633 0.000 0.220 505 L C 0.728 177.545 176.870 -0.088 0.000 1.106 505 L CA 0.186 54.952 54.840 -0.122 0.000 0.851 505 L CB -0.066 41.943 42.059 -0.083 0.000 0.994 505 L HN 0.709 nan 8.230 nan 0.000 0.462 506 D N -2.141 118.219 120.400 -0.067 0.000 2.654 506 D HA 0.083 -11.857 4.640 -27.633 0.000 0.255 506 D C 0.829 177.170 176.300 0.069 0.000 1.101 506 D CA 0.157 54.144 54.000 -0.022 0.000 1.116 506 D CB 1.190 41.963 40.800 -0.044 0.000 1.348 506 D HN -0.117 nan 8.370 nan 0.000 0.609 507 S N -0.718 115.011 115.700 0.048 0.000 2.436 507 S HA -0.135 -12.245 4.470 -27.633 0.000 0.228 507 S C 1.878 176.510 174.600 0.052 0.000 1.014 507 S CA 1.316 59.556 58.200 0.067 0.000 0.950 507 S CB -0.681 62.504 63.200 -0.024 0.000 0.784 507 S HN 0.575 nan 8.310 nan 0.000 0.504 508 S N 1.166 116.853 115.700 -0.023 0.000 2.377 508 S HA 0.360 -11.750 4.470 -27.633 0.000 0.223 508 S C 1.852 176.310 174.600 -0.237 0.000 1.030 508 S CA 1.036 59.161 58.200 -0.125 0.000 0.970 508 S CB -0.914 62.184 63.200 -0.169 0.000 0.830 508 S HN 1.547 nan 8.310 nan 0.000 0.473 509 G N -0.199 108.471 108.800 -0.217 0.000 2.184 509 G HA2 -0.115 -12.735 3.960 -27.633 0.000 0.206 509 G HA3 -0.115 -12.735 3.960 -27.633 0.000 0.206 509 G C 0.896 175.483 174.900 -0.522 0.000 0.995 509 G CA 0.130 44.983 45.100 -0.412 0.000 0.651 509 G HN 1.020 nan 8.290 nan 0.000 0.511 510 G N -0.049 108.510 108.800 -0.403 0.000 2.464 510 G HA2 0.221 -12.399 3.960 -27.633 0.000 0.217 510 G HA3 0.221 -12.399 3.960 -27.633 0.000 0.217 510 G C 0.747 175.556 174.900 -0.152 0.000 1.138 510 G CA 1.147 46.073 45.100 -0.291 0.000 0.793 510 G HN 0.590 nan 8.290 nan 0.000 0.539 511 K N 1.152 121.479 120.400 -0.121 0.000 2.354 511 K HA 0.347 -11.912 4.320 -27.633 0.000 0.257 511 K C -0.438 176.130 176.600 -0.054 0.000 1.062 511 K CA -0.441 55.803 56.287 -0.071 0.000 0.971 511 K CB 0.260 32.721 32.500 -0.064 0.000 1.305 511 K HN 0.010 nan 8.250 nan 0.000 0.449 512 K N 3.149 123.539 120.400 -0.017 0.000 2.098 512 K HA 0.178 -12.082 4.320 -27.633 0.000 0.258 512 K C 0.543 177.157 176.600 0.023 0.000 0.973 512 K CA -0.675 55.630 56.287 0.030 0.000 0.898 512 K CB 1.514 34.071 32.500 0.094 0.000 1.057 512 K HN 0.325 nan 8.250 nan 0.000 0.447 513 L N 2.040 123.282 121.223 0.031 0.000 2.185 513 L HA 0.302 -11.938 4.340 -27.633 0.000 0.198 513 L C -0.493 176.425 176.870 0.081 0.000 1.079 513 L CA 1.148 56.014 54.840 0.043 0.000 0.780 513 L CB 0.307 42.389 42.059 0.038 0.000 0.955 513 L HN 0.540 nan 8.230 nan 0.000 0.462 514 L N -0.119 121.167 121.223 0.106 0.000 2.493 514 L HA 0.790 -11.450 4.340 -27.633 0.000 0.265 514 L C -0.682 176.225 176.870 0.061 0.000 0.954 514 L CA 0.320 55.205 54.840 0.076 0.000 0.844 514 L CB 1.501 43.651 42.059 0.152 0.000 1.302 514 L HN 0.183 nan 8.230 nan 0.000 0.405 515 G N 3.087 111.872 108.800 -0.025 0.000 2.682 515 G HA2 0.632 -11.988 3.960 -27.633 0.000 0.290 515 G HA3 0.632 -11.988 3.960 -27.633 0.000 0.290 515 G C -2.533 172.345 174.900 -0.037 0.000 1.425 515 G CA -0.678 44.436 45.100 0.023 0.000 0.807 515 G HN 0.701 nan 8.290 nan 0.000 0.482 516 L N 0.639 121.876 121.223 0.023 0.000 2.404 516 L HA 0.796 -11.444 4.340 -27.633 0.000 0.272 516 L C -0.237 176.722 176.870 0.147 0.000 0.980 516 L CA -0.301 54.561 54.840 0.036 0.000 0.836 516 L CB 1.703 43.737 42.059 -0.041 0.000 1.238 516 L HN 0.518 nan 8.230 nan 0.000 0.408 517 S N 2.903 118.704 115.700 0.168 0.000 2.726 517 S HA 0.814 -11.295 4.470 -27.633 0.000 0.308 517 S C -1.517 173.246 174.600 0.272 0.000 1.115 517 S CA -0.340 57.945 58.200 0.142 0.000 0.965 517 S CB 1.616 64.830 63.200 0.024 0.000 1.145 517 S HN 0.527 nan 8.310 nan 0.000 0.532 518 Y N -0.323 120.026 120.300 0.083 0.000 2.492 518 Y HA 0.772 -11.258 4.550 -27.634 0.000 0.346 518 Y C -1.040 174.936 175.900 0.126 0.000 0.997 518 Y CA -1.337 56.798 58.100 0.058 0.000 1.025 518 Y CB 0.716 38.941 38.460 -0.393 0.000 1.263 518 Y HN 0.639 nan 8.280 nan 0.000 0.454 519 D N 0.558 121.094 120.400 0.227 0.000 2.414 519 D HA 0.242 -11.698 4.640 -27.633 0.000 0.241 519 D C 0.343 176.731 176.300 0.147 0.000 1.008 519 D CA -1.175 52.885 54.000 0.099 0.000 1.001 519 D CB 1.593 42.428 40.800 0.058 0.000 1.277 519 D HN 0.719 nan 8.370 nan 0.000 0.538 520 K N -0.352 120.092 120.400 0.074 0.000 2.520 520 K HA -0.112 -12.371 4.320 -27.633 0.000 0.197 520 K C 0.659 177.304 176.600 0.075 0.000 1.043 520 K CA 0.791 57.120 56.287 0.070 0.000 0.944 520 K CB -0.160 32.371 32.500 0.052 0.000 0.770 520 K HN 0.276 nan 8.250 nan 0.000 0.480 521 R N 0.390 120.916 120.500 0.044 0.000 2.552 521 R HA 0.093 -12.147 4.340 -27.633 0.000 0.314 521 R C -0.697 175.578 176.300 -0.042 0.000 1.041 521 R CA -0.297 55.817 56.100 0.023 0.000 1.076 521 R CB -0.115 30.181 30.300 -0.008 0.000 1.290 521 R HN 0.325 nan 8.270 nan 0.000 0.563 522 H N -0.121 118.654 119.070 -0.492 0.000 2.791 522 H HA -0.192 -12.216 4.556 -27.633 0.000 0.302 522 H C -0.541 174.236 175.328 -0.917 0.000 1.198 522 H CA 0.746 56.084 56.048 -1.184 0.000 1.145 522 H CB -1.575 27.557 29.762 -1.051 0.000 1.385 522 H HN 0.388 nan 8.280 nan 0.000 0.409 523 Q N -1.077 118.574 119.800 -0.249 0.000 2.399 523 Q HA 0.402 -11.838 4.340 -27.633 0.000 0.276 523 Q C -0.197 175.881 176.000 0.130 0.000 1.098 523 Q CA -0.995 54.761 55.803 -0.077 0.000 0.827 523 Q CB 1.762 30.510 28.738 0.017 0.000 1.386 523 Q HN 0.336 nan 8.270 nan 0.000 0.443 524 W N 0.952 122.412 121.300 0.267 0.000 2.313 524 W HA 0.296 -11.623 4.660 -27.632 0.000 0.328 524 W C 0.153 176.740 176.519 0.114 0.000 1.197 524 W CA -0.265 57.191 57.345 0.186 0.000 1.235 524 W CB 0.854 30.371 29.460 0.094 0.000 1.158 524 W HN 0.334 nan 8.180 nan 0.000 0.578 525 Q N 3.721 123.738 119.800 0.362 0.000 2.798 525 Q HA 0.203 -12.037 4.340 -27.633 0.000 0.250 525 Q C -2.329 173.727 176.000 0.094 0.000 1.006 525 Q CA -1.971 53.943 55.803 0.185 0.000 0.759 525 Q CB 1.469 30.280 28.738 0.122 0.000 1.201 525 Q HN 0.036 nan 8.270 nan 0.000 0.486 526 P HA 0.151 nan 4.420 nan 0.000 0.276 526 P C -0.596 176.456 177.300 -0.413 0.000 1.235 526 P CA 0.082 63.053 63.100 -0.214 0.000 0.772 526 P CB 1.069 32.679 31.700 -0.150 0.000 0.871 527 I N 4.360 124.638 120.570 -0.487 0.000 2.362 527 I HA 0.277 -12.132 4.170 -27.633 0.000 0.289 527 I C -0.256 175.550 176.117 -0.520 0.000 0.994 527 I CA -0.864 60.226 61.300 -0.350 0.000 1.158 527 I CB 1.032 38.977 38.000 -0.092 0.000 1.315 527 I HN 0.270 nan 8.210 nan 0.000 0.451 528 Y N 5.231 125.555 120.300 0.039 0.000 2.721 528 Y HA 0.560 -11.470 4.550 -27.633 0.000 0.328 528 Y C 1.087 177.001 175.900 0.022 0.000 1.003 528 Y CA -0.326 57.789 58.100 0.025 0.000 1.275 528 Y CB 0.964 39.428 38.460 0.007 0.000 1.097 528 Y HN 0.904 nan 8.280 nan 0.000 0.514 529 G N 1.101 109.963 108.800 0.102 0.000 2.574 529 G HA2 -0.319 -12.938 3.960 -27.633 0.000 0.286 529 G HA3 -0.319 -12.938 3.960 -27.633 0.000 0.286 529 G C 0.834 175.765 174.900 0.051 0.000 1.212 529 G CA 0.315 45.456 45.100 0.068 0.000 0.979 529 G HN 0.448 nan 8.290 nan 0.000 0.557 530 S N 1.123 116.848 115.700 0.042 0.000 2.597 530 S HA 0.366 -11.743 4.470 -27.633 0.000 0.224 530 S C 0.898 175.522 174.600 0.041 0.000 0.955 530 S CA 0.855 59.072 58.200 0.029 0.000 0.933 530 S CB 0.177 63.385 63.200 0.014 0.000 0.788 530 S HN 0.822 nan 8.310 nan 0.000 0.488 531 T N 4.814 119.408 114.554 0.067 0.000 2.940 531 T HA 0.158 -12.072 4.350 -27.633 0.000 0.309 531 T C -2.369 172.376 174.700 0.074 0.000 1.056 531 T CA -0.630 61.516 62.100 0.076 0.000 1.137 531 T CB 0.164 69.103 68.868 0.118 0.000 0.976 531 T HN 0.072 nan 8.240 nan 0.000 0.547 532 P HA 0.156 nan 4.420 nan 0.000 0.264 532 P C -0.544 176.800 177.300 0.073 0.000 1.193 532 P CA -0.291 62.840 63.100 0.052 0.000 0.763 532 P CB 0.297 32.020 31.700 0.039 0.000 0.810 533 V N 3.864 123.817 119.914 0.065 0.000 2.811 533 V HA 0.206 -12.254 4.120 -27.633 0.000 0.302 533 V C 0.659 176.800 176.094 0.079 0.000 1.063 533 V CA 0.542 62.889 62.300 0.077 0.000 1.088 533 V CB 0.896 32.752 31.823 0.055 0.000 0.982 533 V HN 0.554 nan 8.190 nan 0.000 0.485 534 T N 5.705 120.320 114.554 0.102 0.000 2.965 534 T HA 0.381 -11.848 4.350 -27.633 0.000 0.306 534 T C -2.596 172.169 174.700 0.109 0.000 0.991 534 T CA -0.842 61.314 62.100 0.093 0.000 1.001 534 T CB 1.694 70.616 68.868 0.091 0.000 0.984 534 T HN 0.446 nan 8.240 nan 0.000 0.446 535 P HA 0.377 nan 4.420 nan 0.000 0.269 535 P C -0.287 177.089 177.300 0.127 0.000 1.217 535 P CA -0.003 63.167 63.100 0.117 0.000 0.783 535 P CB 0.587 32.338 31.700 0.084 0.000 0.898 536 T N -0.133 114.524 114.554 0.172 0.000 2.886 536 T HA 0.548 -11.682 4.350 -27.633 0.000 0.330 536 T C -0.377 174.464 174.700 0.235 0.000 1.488 536 T CA 0.466 62.666 62.100 0.166 0.000 1.054 536 T CB 0.446 69.408 68.868 0.157 0.000 1.348 536 T HN 0.780 nan 8.240 nan 0.000 0.489 537 G N 2.244 111.156 108.800 0.187 0.000 2.749 537 G HA2 0.178 -12.442 3.960 -27.633 0.000 0.242 537 G HA3 0.178 -12.442 3.960 -27.633 0.000 0.242 537 G C -0.156 174.818 174.900 0.123 0.000 1.364 537 G CA 0.329 45.565 45.100 0.228 0.000 0.888 537 G HN 2.099 nan 8.290 nan 0.000 0.566 538 S N -0.603 115.149 115.700 0.087 0.000 2.638 538 S HA 0.889 -11.220 4.470 -27.633 0.000 0.274 538 S C -0.686 173.845 174.600 -0.114 0.000 1.157 538 S CA 0.107 58.228 58.200 -0.131 0.000 0.826 538 S CB 2.395 65.534 63.200 -0.102 0.000 1.139 538 S HN 2.292 nan 8.310 nan 0.000 0.474 539 W N 0.455 121.553 121.300 -0.338 0.000 3.075 539 W HA 0.733 -11.185 4.660 -27.631 0.000 0.334 539 W C -1.515 174.995 176.519 -0.015 0.000 1.243 539 W CA -0.719 56.434 57.345 -0.319 0.000 1.170 539 W CB 0.760 29.607 29.460 -1.022 0.000 1.452 539 W HN 1.021 nan 8.180 nan 0.000 0.572 540 E N 2.084 122.594 120.200 0.516 0.000 2.212 540 E HA 0.508 -11.721 4.350 -27.633 0.000 0.268 540 E C -0.604 176.339 176.600 0.572 0.000 0.902 540 E CA -1.028 55.595 56.400 0.371 0.000 0.779 540 E CB 2.888 32.748 29.700 0.265 0.000 1.172 540 E HN 0.476 nan 8.360 nan 0.000 0.409 541 M N 2.763 122.628 119.600 0.441 0.000 2.252 541 M HA 0.169 -11.931 4.480 -27.633 0.000 0.333 541 M C 0.898 177.358 176.300 0.267 0.000 1.111 541 M CA 2.050 57.610 55.300 0.432 0.000 1.140 541 M CB 0.061 32.855 32.600 0.324 0.000 1.538 541 M HN 1.053 nan 8.290 nan 0.000 0.448 542 G N 3.166 112.080 108.800 0.190 0.000 2.212 542 G HA2 -0.310 -12.930 3.960 -27.633 0.000 0.266 542 G HA3 -0.310 -12.930 3.960 -27.633 0.000 0.266 542 G C 0.119 175.094 174.900 0.124 0.000 0.978 542 G CA 0.736 45.931 45.100 0.159 0.000 0.632 542 G HN 0.728 nan 8.290 nan 0.000 0.537 543 K N 0.698 121.194 120.400 0.160 0.000 2.174 543 K HA 0.483 -11.777 4.320 -27.633 0.000 0.275 543 K C 0.570 177.127 176.600 -0.072 0.000 1.015 543 K CA -0.907 55.403 56.287 0.038 0.000 0.933 543 K CB 0.455 32.980 32.500 0.041 0.000 1.025 543 K HN 0.113 nan 8.250 nan 0.000 0.463 544 R N 3.786 124.188 120.500 -0.163 0.000 2.308 544 R HA 0.166 -12.073 4.340 -27.633 0.000 0.305 544 R C -1.415 174.727 176.300 -0.263 0.000 1.053 544 R CA 0.094 56.135 56.100 -0.097 0.000 0.957 544 R CB 0.253 30.549 30.300 -0.006 0.000 1.022 544 R HN 0.569 nan 8.270 nan 0.000 0.461 545 Y N 1.583 121.987 120.300 0.172 0.000 2.562 545 Y HA 0.320 -11.710 4.550 -27.633 0.000 0.343 545 Y C 0.277 176.295 175.900 0.196 0.000 1.025 545 Y CA -0.750 57.476 58.100 0.211 0.000 1.082 545 Y CB 1.631 40.228 38.460 0.227 0.000 1.264 545 Y HN 0.488 nan 8.280 nan 0.000 0.478 546 H N 1.883 121.125 119.070 0.287 0.000 2.511 546 H HA 0.606 -11.418 4.556 -27.633 0.000 0.328 546 H C -1.659 173.710 175.328 0.069 0.000 1.044 546 H CA -0.427 55.751 56.048 0.215 0.000 1.212 546 H CB 1.096 31.106 29.762 0.412 0.000 1.428 546 H HN 0.476 nan 8.280 nan 0.000 0.483 547 V N 6.104 125.807 119.914 -0.350 0.000 2.555 547 V HA 0.323 -12.137 4.120 -27.633 0.000 0.302 547 V C -0.261 175.680 176.094 -0.255 0.000 1.038 547 V CA -0.755 61.388 62.300 -0.262 0.000 0.887 547 V CB 1.860 33.544 31.823 -0.232 0.000 0.991 547 V HN 0.505 nan 8.190 nan 0.000 0.434 548 V N 5.893 125.755 119.914 -0.088 0.000 2.577 548 V HA 0.534 -11.926 4.120 -27.633 0.000 0.303 548 V C -0.599 175.544 176.094 0.080 0.000 1.042 548 V CA -0.465 61.819 62.300 -0.027 0.000 0.872 548 V CB 1.899 33.675 31.823 -0.080 0.000 0.998 548 V HN 0.655 nan 8.190 nan 0.000 0.423 549 L N 4.774 126.030 121.223 0.055 0.000 2.333 549 L HA 0.829 -11.410 4.340 -27.633 0.000 0.280 549 L C 0.034 176.910 176.870 0.010 0.000 1.004 549 L CA -0.315 54.575 54.840 0.083 0.000 0.820 549 L CB 2.316 44.455 42.059 0.133 0.000 1.247 549 L HN 0.816 nan 8.230 nan 0.000 0.416 550 T N 0.899 115.405 114.554 -0.080 0.000 2.906 550 T HA 0.796 -11.434 4.350 -27.633 0.000 0.295 550 T C -0.650 173.807 174.700 -0.406 0.000 1.061 550 T CA -0.798 61.133 62.100 -0.281 0.000 1.000 550 T CB 2.421 71.221 68.868 -0.113 0.000 1.103 550 T HN 0.624 nan 8.240 nan 0.000 0.486 551 M N 1.949 121.172 119.600 -0.628 0.000 2.284 551 M HA 0.749 -11.351 4.480 -27.633 0.000 0.281 551 M C -2.158 173.973 176.300 -0.282 0.000 1.083 551 M CA -0.355 54.677 55.300 -0.445 0.000 0.965 551 M CB 1.652 33.937 32.600 -0.525 0.000 1.717 551 M HN 1.286 nan 8.290 nan 0.000 0.479 552 A N 3.325 126.063 122.820 -0.137 0.000 2.594 552 A HA 0.651 -11.609 4.320 -27.633 0.000 0.296 552 A C -0.609 176.953 177.584 -0.037 0.000 1.061 552 A CA -0.590 51.409 52.037 -0.064 0.000 0.689 552 A CB 0.962 19.925 19.000 -0.062 0.000 1.280 552 A HN 1.086 nan 8.150 nan 0.000 0.406 553 N N 1.055 119.751 118.700 -0.007 0.000 2.747 553 N HA -0.178 -12.017 4.740 -27.633 0.000 0.249 553 N C 0.099 175.603 175.510 -0.010 0.000 1.107 553 N CA 1.440 54.488 53.050 -0.003 0.000 0.707 553 N CB -1.239 37.242 38.487 -0.011 0.000 1.054 553 N HN 0.982 nan 8.380 nan 0.000 0.555 554 K N -2.041 118.352 120.400 -0.012 0.000 3.274 554 K HA -0.199 -12.459 4.320 -27.633 0.000 0.300 554 K C -0.121 176.470 176.600 -0.015 0.000 1.230 554 K CA 1.251 57.530 56.287 -0.013 0.000 0.884 554 K CB -1.216 31.280 32.500 -0.007 0.000 1.242 554 K HN 0.508 nan 8.250 nan 0.000 0.467 555 I N 0.618 121.171 120.570 -0.028 0.000 2.433 555 I HA 0.344 -12.066 4.170 -27.633 0.000 0.292 555 I C 0.727 176.825 176.117 -0.031 0.000 1.001 555 I CA -0.734 60.547 61.300 -0.031 0.000 1.119 555 I CB 1.963 39.936 38.000 -0.045 0.000 1.289 555 I HN 0.100 nan 8.210 nan 0.000 0.438 556 G N 3.421 112.232 108.800 0.019 0.000 2.388 556 G HA2 0.681 -11.939 3.960 -27.633 0.000 0.330 556 G HA3 0.681 -11.939 3.960 -27.633 0.000 0.330 556 G C -1.012 173.955 174.900 0.112 0.000 1.142 556 G CA -0.285 44.856 45.100 0.069 0.000 0.908 556 G HN 0.524 nan 8.290 nan 0.000 0.473 557 S N -0.714 115.037 115.700 0.085 0.000 2.548 557 S HA 0.689 -11.421 4.470 -27.633 0.000 0.286 557 S C -0.766 173.869 174.600 0.059 0.000 1.098 557 S CA -0.553 57.677 58.200 0.049 0.000 0.930 557 S CB 2.189 65.369 63.200 -0.033 0.000 1.070 557 S HN 0.558 nan 8.310 nan 0.000 0.480 558 V N 2.868 122.747 119.914 -0.059 0.000 2.483 558 V HA 0.496 -11.964 4.120 -27.633 0.000 0.297 558 V C -1.720 174.218 176.094 -0.261 0.000 1.027 558 V CA -0.637 61.622 62.300 -0.067 0.000 0.855 558 V CB 1.001 32.784 31.823 -0.066 0.000 0.995 558 V HN 0.857 nan 8.190 nan 0.000 0.424 559 Y N 4.588 124.814 120.300 -0.124 0.000 2.429 559 Y HA 0.700 -11.330 4.550 -27.633 0.000 0.342 559 Y C -0.127 175.644 175.900 -0.215 0.000 1.004 559 Y CA -1.241 56.776 58.100 -0.139 0.000 1.075 559 Y CB 1.840 40.244 38.460 -0.093 0.000 1.214 559 Y HN 0.333 nan 8.280 nan 0.000 0.455 560 I N 3.050 123.561 120.570 -0.098 0.000 2.466 560 I HA 0.212 -12.198 4.170 -27.633 0.000 0.289 560 I C -0.510 175.548 176.117 -0.097 0.000 1.026 560 I CA -1.192 59.996 61.300 -0.186 0.000 1.078 560 I CB 1.350 39.116 38.000 -0.390 0.000 1.249 560 I HN 0.714 nan 8.210 nan 0.000 0.429 561 D N 5.312 125.659 120.400 -0.088 0.000 2.708 561 D HA -0.171 -12.111 4.640 -27.633 0.000 0.236 561 D C 1.318 176.984 176.300 -1.057 0.000 1.146 561 D CA 1.650 55.288 54.000 -0.605 0.000 0.662 561 D CB -0.966 39.646 40.800 -0.313 0.000 1.059 561 D HN 1.131 nan 8.370 nan 0.000 0.428 562 G N -1.274 107.232 108.800 -0.491 0.000 2.212 562 G HA2 -0.338 -12.958 3.960 -27.633 0.000 0.266 562 G HA3 -0.338 -12.958 3.960 -27.633 0.000 0.266 562 G C 0.059 174.952 174.900 -0.012 0.000 0.978 562 G CA 0.634 45.571 45.100 -0.272 0.000 0.632 562 G HN 0.419 nan 8.290 nan 0.000 0.537 563 E N 0.848 121.053 120.200 0.008 0.000 2.199 563 E HA 0.482 -11.748 4.350 -27.633 0.000 0.269 563 E C -2.597 174.006 176.600 0.005 0.000 0.899 563 E CA -2.141 54.303 56.400 0.073 0.000 0.772 563 E CB 1.899 31.588 29.700 -0.018 0.000 1.155 563 E HN 0.100 nan 8.360 nan 0.000 0.408 564 P HA 0.050 nan 4.420 nan 0.000 0.267 564 P C -0.023 177.134 177.300 -0.238 0.000 1.200 564 P CA 0.071 62.872 63.100 -0.498 0.000 0.772 564 P CB 0.529 31.968 31.700 -0.435 0.000 0.855 565 L N 1.925 123.016 121.223 -0.220 0.000 2.453 565 L HA 0.175 -12.064 4.340 -27.633 0.000 0.261 565 L C 1.179 178.013 176.870 -0.061 0.000 1.179 565 L CA -0.451 54.338 54.840 -0.085 0.000 0.813 565 L CB 0.135 42.171 42.059 -0.039 0.000 1.110 565 L HN 0.362 nan 8.230 nan 0.000 0.466 566 E N 1.017 121.212 120.200 -0.009 0.000 2.384 566 E HA 0.105 -12.125 4.350 -27.633 0.000 0.266 566 E C 0.798 177.386 176.600 -0.020 0.000 1.012 566 E CA 0.645 57.035 56.400 -0.015 0.000 0.901 566 E CB 0.447 30.153 29.700 0.010 0.000 0.967 566 E HN 0.862 nan 8.360 nan 0.000 0.435 567 G N 2.584 111.349 108.800 -0.059 0.000 2.153 567 G HA2 -0.307 -12.927 3.960 -27.633 0.000 0.252 567 G HA3 -0.307 -12.927 3.960 -27.633 0.000 0.252 567 G C 0.334 175.120 174.900 -0.191 0.000 0.994 567 G CA 0.559 45.601 45.100 -0.097 0.000 0.698 567 G HN 0.487 nan 8.290 nan 0.000 0.521 568 S N -0.455 115.143 115.700 -0.171 0.000 2.601 568 S HA 0.628 -11.482 4.470 -27.633 0.000 0.271 568 S C 1.012 175.446 174.600 -0.278 0.000 1.305 568 S CA 1.161 59.226 58.200 -0.224 0.000 1.022 568 S CB 1.066 64.171 63.200 -0.158 0.000 0.940 568 S HN 2.173 nan 8.310 nan 0.000 0.525 569 G N 3.116 111.725 108.800 -0.318 0.000 2.919 569 G HA2 -0.069 -12.688 3.960 -27.633 0.000 0.225 569 G HA3 -0.069 -12.688 3.960 -27.633 0.000 0.225 569 G C -0.714 174.022 174.900 -0.274 0.000 1.117 569 G CA -0.615 44.353 45.100 -0.221 0.000 1.033 569 G HN 0.582 nan 8.290 nan 0.000 0.532 570 Q N -0.061 119.510 119.800 -0.382 0.000 2.351 570 Q HA 0.636 -11.604 4.340 -27.633 0.000 0.273 570 Q C 0.339 176.263 176.000 -0.126 0.000 1.077 570 Q CA -0.493 55.120 55.803 -0.317 0.000 0.843 570 Q CB 1.465 29.874 28.738 -0.548 0.000 1.367 570 Q HN 0.267 nan 8.270 nan 0.000 0.449 571 T N 1.258 115.767 114.554 -0.075 0.000 2.799 571 T HA 0.176 -12.054 4.350 -27.633 0.000 0.296 571 T C 1.165 175.880 174.700 0.024 0.000 0.947 571 T CA -0.039 62.047 62.100 -0.022 0.000 1.141 571 T CB 0.119 68.974 68.868 -0.022 0.000 0.891 571 T HN 0.480 nan 8.240 nan 0.000 0.533 572 V N 1.603 121.543 119.914 0.043 0.000 3.605 572 V HA 0.367 -12.092 4.120 -27.633 0.000 0.284 572 V C 0.294 176.410 176.094 0.036 0.000 1.386 572 V CA -0.158 62.185 62.300 0.071 0.000 1.053 572 V CB 0.236 32.122 31.823 0.105 0.000 0.857 572 V HN 0.505 nan 8.190 nan 0.000 0.436 573 V N 3.796 123.719 119.914 0.015 0.000 2.266 573 V HA 0.377 -12.083 4.120 -27.633 0.000 0.271 573 V C -0.713 175.381 176.094 -0.000 0.000 1.032 573 V CA -0.913 61.386 62.300 -0.001 0.000 0.806 573 V CB 1.125 32.940 31.823 -0.014 0.000 1.052 573 V HN 0.224 nan 8.190 nan 0.000 0.449 574 P HA -0.157 nan 4.420 nan 0.000 0.213 574 P C 0.145 177.444 177.300 -0.001 0.000 1.170 574 P CA 1.512 64.612 63.100 0.001 0.000 0.902 574 P CB 0.476 32.178 31.700 0.002 0.000 0.789 575 D N -1.469 118.930 120.400 -0.002 0.000 2.577 575 D HA 0.177 -11.762 4.640 -27.633 0.000 0.248 575 D C 1.019 177.320 176.300 0.001 0.000 1.181 575 D CA -0.508 53.492 54.000 -0.001 0.000 1.083 575 D CB -0.358 40.441 40.800 -0.001 0.000 1.198 575 D HN -0.246 nan 8.370 nan 0.000 0.626 576 E N -1.219 118.983 120.200 0.004 0.000 2.474 576 E HA 0.158 -12.072 4.350 -27.633 0.000 0.194 576 E C -0.177 176.430 176.600 0.011 0.000 1.041 576 E CA 0.032 56.438 56.400 0.010 0.000 0.874 576 E CB 0.040 29.748 29.700 0.014 0.000 0.914 576 E HN 0.230 nan 8.360 nan 0.000 0.498 577 R N 0.243 120.746 120.500 0.004 0.000 2.543 577 R HA 0.246 -11.993 4.340 -27.633 0.000 0.277 577 R C 0.008 176.301 176.300 -0.011 0.000 1.074 577 R CA 0.165 56.266 56.100 0.002 0.000 1.076 577 R CB 0.560 30.858 30.300 -0.004 0.000 0.993 577 R HN -0.099 nan 8.270 nan 0.000 0.459 578 T N 4.518 119.066 114.554 -0.011 0.000 2.897 578 T HA 0.195 -12.034 4.350 -27.633 0.000 0.294 578 T C -1.935 172.710 174.700 -0.093 0.000 1.004 578 T CA -1.226 60.840 62.100 -0.056 0.000 1.106 578 T CB 0.874 69.727 68.868 -0.025 0.000 0.949 578 T HN 0.365 nan 8.240 nan 0.000 0.520 579 P HA 0.201 nan 4.420 nan 0.000 0.269 579 P C -0.496 176.695 177.300 -0.181 0.000 1.217 579 P CA -0.151 62.861 63.100 -0.146 0.000 0.783 579 P CB 0.387 31.994 31.700 -0.155 0.000 0.898 580 D N 1.120 121.423 120.400 -0.160 0.000 2.613 580 D HA 0.218 -11.722 4.640 -27.633 0.000 0.312 580 D C -0.357 175.827 176.300 -0.193 0.000 1.202 580 D CA -0.340 53.558 54.000 -0.170 0.000 0.825 580 D CB -0.584 40.158 40.800 -0.096 0.000 1.113 580 D HN 0.166 nan 8.370 nan 0.000 0.502 581 I N 1.229 121.637 120.570 -0.270 0.000 2.741 581 I HA -0.091 -12.501 4.170 -27.633 0.000 0.288 581 I C 1.754 177.699 176.117 -0.288 0.000 1.192 581 I CA 0.268 61.372 61.300 -0.327 0.000 1.426 581 I CB 1.076 38.780 38.000 -0.493 0.000 1.367 581 I HN 0.177 nan 8.210 nan 0.000 0.563 582 S N 5.874 121.445 115.700 -0.216 0.000 2.406 582 S HA -0.017 -12.127 4.470 -27.633 0.000 0.224 582 S C 0.261 174.869 174.600 0.013 0.000 1.030 582 S CA 0.636 58.809 58.200 -0.045 0.000 0.958 582 S CB 0.016 63.296 63.200 0.135 0.000 0.811 582 S HN 0.851 nan 8.310 nan 0.000 0.489 583 H N -2.591 116.308 119.070 -0.285 0.000 2.921 583 H HA 0.270 -11.755 4.556 -27.635 0.000 0.287 583 H C -1.859 173.236 175.328 -0.389 0.000 1.434 583 H CA -0.961 54.916 56.048 -0.284 0.000 1.178 583 H CB -0.450 29.297 29.762 -0.025 0.000 1.836 583 H HN 0.167 nan 8.280 nan 0.000 0.495 584 F N 1.360 121.372 119.950 0.103 0.000 2.422 584 F HA 0.417 -11.639 4.527 -27.638 0.000 0.333 584 F C -0.140 175.796 175.800 0.227 0.000 1.095 584 F CA -0.876 57.117 58.000 -0.011 0.000 1.038 584 F CB 1.299 40.316 39.000 0.028 0.000 1.156 584 F HN 0.455 nan 8.300 nan 0.000 0.483 585 Y N 0.073 120.557 120.300 0.307 0.000 2.393 585 Y HA 0.826 -11.204 4.550 -27.634 0.000 0.341 585 Y C -1.436 174.562 175.900 0.164 0.000 0.988 585 Y CA -1.710 56.557 58.100 0.278 0.000 1.078 585 Y CB 1.019 39.659 38.460 0.301 0.000 1.203 585 Y HN 0.280 nan 8.280 nan 0.000 0.453 586 V N 3.000 123.021 119.914 0.179 0.000 2.525 586 V HA 0.623 -11.837 4.120 -27.633 0.000 0.299 586 V C 0.574 176.601 176.094 -0.111 0.000 1.034 586 V CA -0.531 61.810 62.300 0.069 0.000 0.863 586 V CB 1.024 32.934 31.823 0.144 0.000 0.999 586 V HN 1.340 nan 8.190 nan 0.000 0.423 587 G N 3.055 111.821 108.800 -0.057 0.000 2.198 587 G HA2 0.234 -12.385 3.960 -27.633 0.000 0.260 587 G HA3 0.234 -12.385 3.960 -27.633 0.000 0.260 587 G C 0.679 175.412 174.900 -0.277 0.000 1.025 587 G CA 0.382 45.386 45.100 -0.161 0.000 0.769 587 G HN 2.287 nan 8.290 nan 0.000 0.507 588 G N -2.597 106.099 108.800 -0.174 0.000 2.361 588 G HA2 0.310 -12.310 3.960 -27.633 0.000 0.331 588 G HA3 0.310 -12.310 3.960 -27.633 0.000 0.331 588 G C -0.029 174.764 174.900 -0.177 0.000 1.324 588 G CA 0.059 45.020 45.100 -0.232 0.000 0.984 588 G HN 0.542 nan 8.290 nan 0.000 0.586 589 Y N 0.371 120.636 120.300 -0.058 0.000 2.500 589 Y HA 0.310 -11.721 4.550 -27.634 0.000 0.270 589 Y C 1.980 177.872 175.900 -0.014 0.000 1.134 589 Y CA 0.565 58.617 58.100 -0.079 0.000 1.293 589 Y CB 0.420 38.782 38.460 -0.162 0.000 1.063 589 Y HN 0.591 nan 8.280 nan 0.000 0.534 590 K N 1.262 121.721 120.400 0.099 0.000 3.069 590 K HA -0.207 -12.467 4.320 -27.633 0.000 0.267 590 K C -1.311 175.320 176.600 0.051 0.000 1.082 590 K CA 0.297 56.616 56.287 0.053 0.000 0.782 590 K CB -0.526 32.002 32.500 0.046 0.000 1.230 590 K HN 0.136 nan 8.250 nan 0.000 0.488 591 R N 0.180 120.724 120.500 0.074 0.000 2.468 591 R HA 0.122 -12.117 4.340 -27.633 0.000 0.302 591 R C 1.029 177.352 176.300 0.039 0.000 1.041 591 R CA 0.185 56.305 56.100 0.034 0.000 0.899 591 R CB 1.418 31.718 30.300 -0.001 0.000 1.167 591 R HN 0.243 nan 8.270 nan 0.000 0.483 592 S N 0.365 116.079 115.700 0.024 0.000 2.469 592 S HA -0.115 -12.225 4.470 -27.633 0.000 0.238 592 S C 1.670 176.278 174.600 0.014 0.000 0.998 592 S CA 1.115 59.329 58.200 0.023 0.000 0.957 592 S CB 0.038 63.248 63.200 0.017 0.000 0.764 592 S HN 0.696 nan 8.310 nan 0.000 0.514 593 G N 0.935 109.735 108.800 -0.001 0.000 2.572 593 G HA2 0.168 -12.452 3.960 -27.633 0.000 0.216 593 G HA3 0.168 -12.452 3.960 -27.633 0.000 0.216 593 G C 0.485 175.373 174.900 -0.020 0.000 1.133 593 G CA 0.022 45.112 45.100 -0.016 0.000 0.791 593 G HN 0.337 nan 8.290 nan 0.000 0.538 594 M N 1.056 120.654 119.600 -0.002 0.000 2.216 594 M HA 0.234 -11.865 4.480 -27.633 0.000 0.356 594 M C -1.183 175.147 176.300 0.049 0.000 1.205 594 M CA -3.044 52.263 55.300 0.013 0.000 1.122 594 M CB 1.476 34.132 32.600 0.093 0.000 1.571 594 M HN -0.104 nan 8.290 nan 0.000 0.464 595 P HA -0.075 nan 4.420 nan 0.000 0.215 595 P C 0.284 177.609 177.300 0.043 0.000 1.157 595 P CA 0.967 64.086 63.100 0.032 0.000 0.859 595 P CB -0.529 31.182 31.700 0.018 0.000 0.786 596 T N -0.591 113.998 114.554 0.057 0.000 2.882 596 T HA -0.085 -12.315 4.350 -27.633 0.000 0.330 596 T C 0.080 174.792 174.700 0.020 0.000 1.075 596 T CA 0.050 62.165 62.100 0.026 0.000 1.129 596 T CB -0.008 68.864 68.868 0.007 0.000 1.071 596 T HN 0.109 nan 8.240 nan 0.000 0.531 597 D N 1.004 121.409 120.400 0.008 0.000 2.476 597 D HA 0.270 -11.669 4.640 -27.633 0.000 0.251 597 D C -1.159 175.179 176.300 0.063 0.000 1.291 597 D CA -0.522 53.501 54.000 0.038 0.000 0.939 597 D CB 1.581 42.412 40.800 0.052 0.000 1.221 597 D HN 0.552 nan 8.370 nan 0.000 0.567 598 S N 3.783 119.528 115.700 0.075 0.000 2.422 598 S HA 0.407 -11.703 4.470 -27.633 0.000 0.308 598 S C 0.156 174.867 174.600 0.184 0.000 1.097 598 S CA -0.785 57.513 58.200 0.164 0.000 1.099 598 S CB 1.070 64.347 63.200 0.127 0.000 0.976 598 S HN 0.239 nan 8.310 nan 0.000 0.471 599 R N 2.963 123.581 120.500 0.196 0.000 2.369 599 R HA 0.449 -11.791 4.340 -27.633 0.000 0.310 599 R C -0.397 175.997 176.300 0.157 0.000 1.141 599 R CA -0.278 55.943 56.100 0.202 0.000 1.116 599 R CB 0.195 30.610 30.300 0.191 0.000 1.135 599 R HN 0.531 nan 8.270 nan 0.000 0.529 600 V N -1.663 118.367 119.914 0.194 0.000 3.216 600 V HA 0.600 -11.860 4.120 -27.633 0.000 0.302 600 V C -0.503 175.689 176.094 0.164 0.000 1.286 600 V CA -0.809 61.474 62.300 -0.028 0.000 1.048 600 V CB 2.503 34.260 31.823 -0.110 0.000 1.081 600 V HN 0.387 nan 8.190 nan 0.000 0.442 601 T N 1.978 116.571 114.554 0.065 0.000 2.797 601 T HA 0.757 -11.473 4.350 -27.633 0.000 0.279 601 T C -0.630 174.142 174.700 0.120 0.000 0.991 601 T CA -0.425 61.754 62.100 0.131 0.000 0.979 601 T CB 1.479 70.459 68.868 0.187 0.000 0.943 601 T HN 0.876 nan 8.240 nan 0.000 0.444 602 V N 4.829 124.852 119.914 0.182 0.000 2.531 602 V HA 0.524 -11.936 4.120 -27.633 0.000 0.301 602 V C -0.400 175.893 176.094 0.332 0.000 1.034 602 V CA -1.025 61.444 62.300 0.281 0.000 0.865 602 V CB 1.773 33.865 31.823 0.449 0.000 0.995 602 V HN 0.820 nan 8.190 nan 0.000 0.424 603 N N 2.774 121.641 118.700 0.278 0.000 2.328 603 N HA 0.390 -11.450 4.740 -27.633 0.000 0.299 603 N C -0.409 175.264 175.510 0.272 0.000 1.179 603 N CA -0.829 52.395 53.050 0.290 0.000 0.793 603 N CB 1.583 40.186 38.487 0.193 0.000 1.366 603 N HN 0.779 nan 8.380 nan 0.000 0.493 604 N N -0.473 118.385 118.700 0.264 0.000 2.652 604 N HA -0.173 -12.012 4.740 -27.633 0.000 0.281 604 N C -0.949 174.731 175.510 0.282 0.000 1.084 604 N CA -0.046 53.196 53.050 0.321 0.000 0.775 604 N CB -0.654 38.096 38.487 0.437 0.000 0.923 604 N HN 0.215 nan 8.380 nan 0.000 0.558 605 V N 2.393 122.336 119.914 0.048 0.000 2.408 605 V HA 0.286 -12.174 4.120 -27.633 0.000 0.267 605 V C 0.645 176.821 176.094 0.137 0.000 1.047 605 V CA -0.218 62.055 62.300 -0.046 0.000 0.937 605 V CB 0.915 32.495 31.823 -0.405 0.000 0.999 605 V HN 0.258 nan 8.190 nan 0.000 0.472 606 L N 5.835 127.141 121.223 0.137 0.000 2.317 606 L HA 0.633 -11.607 4.340 -27.633 0.000 0.281 606 L C -0.608 176.292 176.870 0.049 0.000 1.024 606 L CA -0.619 54.265 54.840 0.072 0.000 0.810 606 L CB 1.790 43.833 42.059 -0.026 0.000 1.240 606 L HN 0.466 nan 8.230 nan 0.000 0.427 607 L N 3.316 124.475 121.223 -0.107 0.000 2.349 607 L HA 0.540 -11.700 4.340 -27.633 0.000 0.278 607 L C -1.399 175.214 176.870 -0.429 0.000 0.996 607 L CA -0.054 54.611 54.840 -0.292 0.000 0.825 607 L CB 0.993 42.636 42.059 -0.692 0.000 1.243 607 L HN 0.282 nan 8.230 nan 0.000 0.412 608 Y N 2.886 123.065 120.300 -0.200 0.000 2.446 608 Y HA 0.370 -11.658 4.550 -27.631 0.000 0.338 608 Y C 0.916 176.653 175.900 -0.272 0.000 1.055 608 Y CA -0.614 57.338 58.100 -0.247 0.000 1.101 608 Y CB 1.455 39.807 38.460 -0.180 0.000 1.221 608 Y HN 0.711 nan 8.280 nan 0.000 0.460 609 N N 1.868 120.327 118.700 -0.402 0.000 2.322 609 N HA 0.081 -11.759 4.740 -27.633 0.000 0.216 609 N C -0.561 174.835 175.510 -0.190 0.000 1.144 609 N CA -0.277 52.357 53.050 -0.694 0.000 0.830 609 N CB -0.010 37.636 38.487 -1.401 0.000 1.034 609 N HN 0.764 nan 8.380 nan 0.000 0.484 610 R N -2.246 118.224 120.500 -0.050 0.000 2.752 610 R HA 0.312 -11.928 4.340 -27.633 0.000 0.271 610 R C -1.315 174.950 176.300 -0.058 0.000 1.026 610 R CA -0.962 55.115 56.100 -0.039 0.000 0.901 610 R CB 0.763 31.022 30.300 -0.067 0.000 1.243 610 R HN 0.037 nan 8.270 nan 0.000 0.463 611 Q N 2.057 121.805 119.800 -0.086 0.000 2.295 611 Q HA 0.279 -11.961 4.340 -27.633 0.000 0.259 611 Q C -0.653 175.251 176.000 -0.160 0.000 0.976 611 Q CA -0.522 55.204 55.803 -0.128 0.000 0.923 611 Q CB 0.876 29.550 28.738 -0.108 0.000 1.185 611 Q HN 0.492 nan 8.270 nan 0.000 0.410 612 L N 3.321 124.404 121.223 -0.233 0.000 2.464 612 L HA 0.141 -12.099 4.340 -27.633 0.000 0.264 612 L C 0.556 177.295 176.870 -0.218 0.000 1.199 612 L CA -0.456 54.211 54.840 -0.289 0.000 0.818 612 L CB 0.200 42.004 42.059 -0.426 0.000 1.102 612 L HN 0.796 nan 8.230 nan 0.000 0.473 613 N N 0.666 119.252 118.700 -0.190 0.000 2.476 613 N HA 0.307 -11.533 4.740 -27.633 0.000 0.276 613 N C 0.530 175.947 175.510 -0.155 0.000 1.204 613 N CA -0.083 52.884 53.050 -0.138 0.000 0.974 613 N CB 0.990 39.417 38.487 -0.099 0.000 1.204 613 N HN 0.599 nan 8.380 nan 0.000 0.543 614 A N -0.129 122.628 122.820 -0.105 0.000 1.927 614 A HA -0.295 -12.555 4.320 -27.633 0.000 0.220 614 A C 1.950 179.477 177.584 -0.094 0.000 1.185 614 A CA 2.098 54.080 52.037 -0.091 0.000 0.639 614 A CB -1.203 17.781 19.000 -0.027 0.000 0.820 614 A HN 0.918 nan 8.150 nan 0.000 0.451 615 E N -0.360 119.792 120.200 -0.080 0.000 2.072 615 E HA -0.202 -12.432 4.350 -27.633 0.000 0.191 615 E C 1.901 178.446 176.600 -0.091 0.000 0.985 615 E CA 1.225 57.584 56.400 -0.069 0.000 0.801 615 E CB -0.131 29.535 29.700 -0.056 0.000 0.750 615 E HN 0.776 nan 8.360 nan 0.000 0.452 616 E N 0.375 120.498 120.200 -0.129 0.000 2.150 616 E HA -0.154 -12.383 4.350 -27.633 0.000 0.193 616 E C 2.183 178.678 176.600 -0.175 0.000 0.985 616 E CA 0.979 57.282 56.400 -0.162 0.000 0.814 616 E CB -0.033 29.532 29.700 -0.225 0.000 0.752 616 E HN 0.394 nan 8.360 nan 0.000 0.466 617 I N 0.890 121.338 120.570 -0.203 0.000 2.315 617 I HA -0.222 -12.632 4.170 -27.633 0.000 0.248 617 I C 2.600 178.658 176.117 -0.098 0.000 1.117 617 I CA 0.759 61.931 61.300 -0.212 0.000 1.404 617 I CB -0.113 37.638 38.000 -0.415 0.000 1.071 617 I HN 0.012 nan 8.210 nan 0.000 0.419 618 R N 1.252 121.711 120.500 -0.070 0.000 2.073 618 R HA -0.132 -12.372 4.340 -27.633 0.000 0.234 618 R C 2.130 178.441 176.300 0.018 0.000 1.134 618 R CA 2.292 58.405 56.100 0.021 0.000 0.952 618 R CB -1.109 29.196 30.300 0.009 0.000 0.850 618 R HN 0.192 nan 8.270 nan 0.000 0.433 619 T N 1.223 115.752 114.554 -0.042 0.000 2.777 619 T HA -0.039 -12.269 4.350 -27.633 0.000 0.266 619 T C 1.771 176.415 174.700 -0.092 0.000 1.040 619 T CA 1.445 63.506 62.100 -0.064 0.000 1.141 619 T CB -0.187 68.642 68.868 -0.066 0.000 0.868 619 T HN 0.128 nan 8.240 nan 0.000 0.444 620 L N 0.040 121.213 121.223 -0.085 0.000 2.046 620 L HA -0.051 -12.291 4.340 -27.633 0.000 0.208 620 L C 2.302 179.011 176.870 -0.268 0.000 1.077 620 L CA 1.336 56.130 54.840 -0.078 0.000 0.747 620 L CB -0.558 41.520 42.059 0.031 0.000 0.896 620 L HN 0.215 nan 8.230 nan 0.000 0.432 621 F N 0.969 120.566 119.950 -0.590 0.000 2.046 621 F HA -0.240 -12.293 4.527 -27.634 0.000 0.297 621 F C 2.191 177.767 175.800 -0.375 0.000 1.123 621 F CA 1.630 59.114 58.000 -0.861 0.000 1.199 621 F CB -0.521 38.190 39.000 -0.482 0.000 0.972 621 F HN -0.134 nan 8.300 nan 0.000 0.474 622 L N -0.304 120.547 121.223 -0.620 0.000 2.131 622 L HA -0.193 -12.433 4.340 -27.633 0.000 0.210 622 L C 1.951 178.599 176.870 -0.370 0.000 1.092 622 L CA 1.487 55.977 54.840 -0.583 0.000 0.759 622 L CB -0.873 41.025 42.059 -0.269 0.000 0.903 622 L HN 0.140 nan 8.230 nan 0.000 0.435 623 S N -0.659 114.886 115.700 -0.257 0.000 2.577 623 S HA -0.023 -12.133 4.470 -27.633 0.000 0.219 623 S C 1.662 176.204 174.600 -0.097 0.000 0.962 623 S CA -0.177 57.935 58.200 -0.147 0.000 0.921 623 S CB 0.147 63.289 63.200 -0.097 0.000 0.789 623 S HN 0.506 nan 8.310 nan 0.000 0.497 624 Q N 1.505 121.227 119.800 -0.130 0.000 2.297 624 Q HA -0.144 -12.383 4.340 -27.633 0.000 0.208 624 Q C 0.194 176.223 176.000 0.048 0.000 0.981 624 Q CA 1.403 57.213 55.803 0.011 0.000 0.876 624 Q CB -0.351 28.442 28.738 0.092 0.000 0.921 624 Q HN 0.288 nan 8.270 nan 0.000 0.446 625 D N 0.168 120.568 120.400 -0.000 0.000 2.342 625 D HA 0.174 -11.766 4.640 -27.633 0.000 0.221 625 D C 1.092 177.418 176.300 0.043 0.000 1.101 625 D CA 0.232 54.248 54.000 0.027 0.000 0.837 625 D CB 0.541 41.339 40.800 -0.003 0.000 0.938 625 D HN 0.357 nan 8.370 nan 0.000 0.508 626 L N -0.020 121.231 121.223 0.047 0.000 2.749 626 L HA 0.233 -12.007 4.340 -27.633 0.000 0.242 626 L C 2.113 179.050 176.870 0.112 0.000 1.103 626 L CA 0.145 55.023 54.840 0.064 0.000 0.906 626 L CB 0.188 42.255 42.059 0.013 0.000 1.228 626 L HN -0.052 nan 8.230 nan 0.000 0.517 627 I N -1.695 118.951 120.570 0.127 0.000 3.059 627 I HA 0.247 -12.163 4.170 -27.633 0.000 0.270 627 I C 1.407 177.755 176.117 0.386 0.000 1.238 627 I CA -0.052 61.359 61.300 0.185 0.000 1.478 627 I CB -0.713 37.348 38.000 0.101 0.000 1.097 627 I HN 0.023 nan 8.210 nan 0.000 0.455 628 G N 1.551 110.545 108.800 0.324 0.000 2.568 628 G HA2 0.115 -12.505 3.960 -27.633 0.000 0.231 628 G HA3 0.115 -12.505 3.960 -27.633 0.000 0.231 628 G C 0.999 176.037 174.900 0.230 0.000 1.261 628 G CA 0.521 45.773 45.100 0.253 0.000 0.855 628 G HN 0.482 nan 8.290 nan 0.000 0.576 629 T N -1.924 112.633 114.554 0.005 0.000 3.057 629 T HA 0.047 -12.183 4.350 -27.633 0.000 0.254 629 T C 1.691 176.468 174.700 0.129 0.000 1.094 629 T CA 1.049 63.149 62.100 -0.001 0.000 1.088 629 T CB -0.053 68.561 68.868 -0.424 0.000 0.934 629 T HN 0.723 nan 8.240 nan 0.000 0.497 630 E N 2.144 122.304 120.200 -0.066 0.000 2.181 630 E HA -0.351 -12.581 4.350 -27.633 0.000 0.225 630 E C 2.270 178.666 176.600 -0.340 0.000 1.073 630 E CA 2.010 58.114 56.400 -0.494 0.000 0.916 630 E CB -0.746 28.612 29.700 -0.570 0.000 0.793 630 E HN 0.655 nan 8.360 nan 0.000 0.472 631 A N -0.005 122.656 122.820 -0.265 0.000 2.019 631 A HA -0.163 -12.422 4.320 -27.633 0.000 0.219 631 A C 1.183 178.459 177.584 -0.513 0.000 1.164 631 A CA 1.804 53.591 52.037 -0.416 0.000 0.644 631 A CB -0.645 18.047 19.000 -0.513 0.000 0.805 631 A HN 0.526 nan 8.150 nan 0.000 0.449 632 H N -1.933 117.157 119.070 0.033 0.000 2.487 632 H HA 0.502 -11.521 4.556 -27.633 0.000 0.290 632 H C 0.145 175.543 175.328 0.117 0.000 1.081 632 H CA -0.145 55.933 56.048 0.050 0.000 1.116 632 H CB -0.104 29.667 29.762 0.015 0.000 1.560 632 H HN 0.239 nan 8.280 nan 0.000 0.548 633 M N 0.000 119.691 119.600 0.151 0.000 2.572 633 M HA 0.000 -12.100 4.480 -27.633 0.000 0.227 633 M CA 0.000 55.418 55.300 0.196 0.000 0.988 633 M CB 0.000 32.693 32.600 0.155 0.000 1.302 633 M HN 0.000 nan 8.290 nan 0.000 0.411