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 3gwz_1_C DATA FIRST_RESID 11 DATA SEQUENCE GTAARAAAEE TVNDILQGAW KARAIHVAVE LGVPELLQEG PRTATALAEA DATA SEQUENCE TGAHEQTLRR LLRLLATVGV FDDLGHDDLF AQNALSAVLL PDPASPVATD DATA SEQUENCE ARFQAAPWHW RAWEQLTHSV RTGEASFDVA NGTSFWQLTH EDPKARELFN DATA SEQUENCE RAXGSVSLTE AGQVAAAYDF SGAATAVDIG GGRGSLXAAV LDAFPGLRGT DATA SEQUENCE LLERPPVAEE ARELLTGRGL ADRCEILPGD FFETIPDGAD VYLIKHVLHD DATA SEQUENCE WDDDDVVRIL RRIATAXKPD SRLLVIDNLI DERPAASTLF VDLLLLVLVG DATA SEQUENCE GAERSESEFA ALLEKSGLRV ERSLPCGAGP VRIVEIRRA 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 11 G C 0.000 174.900 174.900 0.000 0.000 0.946 11 G CA 0.000 45.100 45.100 0.000 0.000 0.502 12 T N 2.109 116.663 114.554 0.001 0.000 2.737 12 T HA 0.167 4.517 4.350 -0.000 0.000 0.265 12 T C 2.710 177.411 174.700 0.001 0.000 1.038 12 T CA 2.284 64.385 62.100 0.001 0.000 1.144 12 T CB -0.353 68.516 68.868 0.001 0.000 0.866 12 T HN 0.530 nan 8.240 nan 0.000 0.434 13 A N 1.495 124.316 122.820 0.000 0.000 1.898 13 A HA 0.228 4.548 4.320 -0.000 0.000 0.216 13 A C 2.650 180.234 177.584 -0.000 0.000 1.181 13 A CA 1.738 53.775 52.037 0.000 0.000 0.620 13 A CB -1.140 17.860 19.000 0.000 0.000 0.819 13 A HN 0.489 nan 8.150 nan 0.000 0.442 14 A N -0.351 122.469 122.820 -0.001 0.000 1.908 14 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 14 A C 2.194 179.777 177.584 -0.002 0.000 1.181 14 A CA 2.174 54.211 52.037 -0.001 0.000 0.627 14 A CB -0.428 18.571 19.000 -0.001 0.000 0.818 14 A HN 0.413 nan 8.150 nan 0.000 0.445 15 R N 0.003 120.502 120.500 -0.001 0.000 2.092 15 R HA 0.046 4.386 4.340 -0.000 0.000 0.231 15 R C 2.122 178.421 176.300 -0.002 0.000 1.119 15 R CA 1.725 57.824 56.100 -0.002 0.000 0.970 15 R CB -0.853 29.447 30.300 -0.001 0.000 0.864 15 R HN 0.414 nan 8.270 nan 0.000 0.440 16 A N -0.076 122.744 122.820 -0.001 0.000 1.929 16 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 16 A C 2.301 179.883 177.584 -0.003 0.000 1.176 16 A CA 1.398 53.434 52.037 -0.001 0.000 0.628 16 A CB -0.854 18.146 19.000 -0.000 0.000 0.816 16 A HN 0.409 nan 8.150 nan 0.000 0.444 17 A N 0.174 122.992 122.820 -0.003 0.000 1.883 17 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 17 A C 2.519 180.098 177.584 -0.007 0.000 1.186 17 A CA 2.255 54.289 52.037 -0.005 0.000 0.624 17 A CB -1.087 17.911 19.000 -0.004 0.000 0.822 17 A HN 1.045 nan 8.150 nan 0.000 0.444 18 A N -0.319 122.497 122.820 -0.006 0.000 1.902 18 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 18 A C 1.916 179.494 177.584 -0.011 0.000 1.181 18 A CA 1.722 53.755 52.037 -0.008 0.000 0.623 18 A CB -0.593 18.403 19.000 -0.006 0.000 0.818 18 A HN 0.643 nan 8.150 nan 0.000 0.443 19 E N -0.712 119.482 120.200 -0.009 0.000 2.077 19 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 19 E C 2.068 178.659 176.600 -0.016 0.000 0.989 19 E CA 1.319 57.712 56.400 -0.011 0.000 0.800 19 E CB -0.130 29.567 29.700 -0.006 0.000 0.746 19 E HN 0.834 nan 8.360 nan 0.000 0.452 20 E N 0.251 120.443 120.200 -0.014 0.000 2.072 20 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 20 E C 1.834 178.417 176.600 -0.027 0.000 0.985 20 E CA 1.506 57.895 56.400 -0.018 0.000 0.801 20 E CB 0.120 29.813 29.700 -0.012 0.000 0.750 20 E HN 0.095 nan 8.360 nan 0.000 0.452 21 T N 0.447 114.986 114.554 -0.023 0.000 2.708 21 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 21 T C 1.906 176.584 174.700 -0.037 0.000 1.037 21 T CA 1.432 63.516 62.100 -0.027 0.000 1.146 21 T CB -0.191 68.666 68.868 -0.018 0.000 0.865 21 T HN 0.038 nan 8.240 nan 0.000 0.435 22 V N 2.049 121.943 119.914 -0.034 0.000 2.358 22 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 22 V C 2.441 178.495 176.094 -0.067 0.000 1.047 22 V CA 1.724 63.999 62.300 -0.042 0.000 1.035 22 V CB -0.763 31.042 31.823 -0.030 0.000 0.658 22 V HN 0.441 nan 8.190 nan 0.000 0.452 23 N N 0.475 119.137 118.700 -0.064 0.000 2.104 23 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 23 N C 1.491 176.919 175.510 -0.137 0.000 1.024 23 N CA 1.633 54.628 53.050 -0.091 0.000 0.853 23 N CB -0.239 38.213 38.487 -0.059 0.000 1.008 23 N HN 0.428 nan 8.380 nan 0.000 0.424 24 D N -0.045 120.293 120.400 -0.103 0.000 2.117 24 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 24 D C 1.958 178.171 176.300 -0.145 0.000 0.987 24 D CA 0.725 54.657 54.000 -0.113 0.000 0.829 24 D CB -0.231 40.526 40.800 -0.071 0.000 0.961 24 D HN 0.399 nan 8.370 nan 0.000 0.460 25 I N 0.523 121.021 120.570 -0.121 0.000 2.163 25 I HA -0.262 3.907 4.170 -0.000 0.000 0.243 25 I C 2.422 178.424 176.117 -0.191 0.000 1.085 25 I CA 0.749 61.975 61.300 -0.123 0.000 1.347 25 I CB -0.210 37.744 38.000 -0.075 0.000 1.044 25 I HN 0.004 nan 8.210 nan 0.000 0.408 26 L N -0.001 121.088 121.223 -0.224 0.000 1.989 26 L HA -0.268 4.072 4.340 -0.000 0.000 0.211 26 L C 2.573 179.063 176.870 -0.634 0.000 1.071 26 L CA 1.623 56.265 54.840 -0.329 0.000 0.749 26 L CB -0.770 41.124 42.059 -0.275 0.000 0.890 26 L HN 0.328 nan 8.230 nan 0.000 0.431 27 Q N -0.211 119.176 119.800 -0.689 0.000 2.439 27 Q HA -0.113 4.227 4.340 -0.000 0.000 0.211 27 Q C 2.201 177.886 176.000 -0.525 0.000 0.978 27 Q CA 0.900 56.149 55.803 -0.925 0.000 0.897 27 Q CB -0.303 28.131 28.738 -0.507 0.000 0.956 27 Q HN 0.634 nan 8.270 nan 0.000 0.483 28 G N 0.994 109.586 108.800 -0.346 0.000 2.448 28 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 28 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 28 G C 1.460 176.264 174.900 -0.160 0.000 1.127 28 G CA 0.775 45.752 45.100 -0.205 0.000 0.766 28 G HN 0.420 nan 8.290 nan 0.000 0.552 29 A N 0.410 123.109 122.820 -0.202 0.000 1.930 29 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 29 A C 2.155 179.907 177.584 0.280 0.000 1.175 29 A CA 1.517 53.584 52.037 0.050 0.000 0.627 29 A CB -0.531 18.528 19.000 0.098 0.000 0.815 29 A HN 0.475 nan 8.150 nan 0.000 0.443 30 W N 0.207 121.540 121.300 0.054 0.000 2.436 30 W HA 0.054 4.714 4.660 -0.000 0.000 0.284 30 W C 2.097 178.576 176.519 -0.066 0.000 1.225 30 W CA 0.636 57.978 57.345 -0.005 0.000 1.271 30 W CB -0.866 28.590 29.460 -0.006 0.000 1.114 30 W HN 0.392 nan 8.180 nan 0.000 0.559 31 K N 0.794 121.260 120.400 0.110 0.000 2.026 31 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 31 K C 2.198 178.744 176.600 -0.090 0.000 1.048 31 K CA 1.909 58.198 56.287 0.002 0.000 0.929 31 K CB -0.276 32.200 32.500 -0.041 0.000 0.713 31 K HN -0.042 nan 8.250 nan 0.000 0.439 32 A N 1.223 123.972 122.820 -0.120 0.000 1.902 32 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 32 A C 2.115 179.352 177.584 -0.579 0.000 1.181 32 A CA 1.625 53.479 52.037 -0.304 0.000 0.623 32 A CB -0.501 18.392 19.000 -0.179 0.000 0.818 32 A HN 0.264 nan 8.150 nan 0.000 0.443 33 R N -0.049 120.275 120.500 -0.294 0.000 2.096 33 R HA -0.006 4.333 4.340 -0.000 0.000 0.235 33 R C 2.192 178.344 176.300 -0.246 0.000 1.127 33 R CA 1.618 57.514 56.100 -0.339 0.000 0.968 33 R CB -0.771 29.280 30.300 -0.415 0.000 0.861 33 R HN 0.443 nan 8.270 nan 0.000 0.440 34 A N 0.371 123.096 122.820 -0.158 0.000 1.902 34 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 34 A C 2.216 179.745 177.584 -0.091 0.000 1.181 34 A CA 1.600 53.580 52.037 -0.095 0.000 0.623 34 A CB -0.599 18.381 19.000 -0.035 0.000 0.818 34 A HN 0.343 nan 8.150 nan 0.000 0.443 35 I N -1.089 119.385 120.570 -0.160 0.000 2.226 35 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 35 I C 2.397 178.470 176.117 -0.072 0.000 1.100 35 I CA 1.797 63.018 61.300 -0.132 0.000 1.374 35 I CB -0.707 37.174 38.000 -0.198 0.000 1.057 35 I HN 0.505 nan 8.210 nan 0.000 0.413 36 H N -0.340 118.678 119.070 -0.088 0.000 2.319 36 H HA -0.168 4.388 4.556 -0.000 0.000 0.297 36 H C 2.369 177.635 175.328 -0.103 0.000 1.097 36 H CA 1.456 57.434 56.048 -0.116 0.000 1.285 36 H CB -0.081 29.569 29.762 -0.187 0.000 1.368 36 H HN 0.116 nan 8.280 nan 0.000 0.495 37 V N 0.857 120.774 119.914 0.006 0.000 2.358 37 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 37 V C 2.653 178.743 176.094 -0.007 0.000 1.047 37 V CA 1.524 63.806 62.300 -0.031 0.000 1.035 37 V CB -0.866 30.916 31.823 -0.069 0.000 0.658 37 V HN 0.559 nan 8.190 nan 0.000 0.452 38 A N 0.614 123.446 122.820 0.020 0.000 1.908 38 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 38 A C 2.404 180.035 177.584 0.077 0.000 1.181 38 A CA 2.355 54.434 52.037 0.070 0.000 0.627 38 A CB -0.738 18.385 19.000 0.204 0.000 0.818 38 A HN 0.639 nan 8.150 nan 0.000 0.445 39 V N -1.928 118.025 119.914 0.064 0.000 2.488 39 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 39 V C 2.129 178.245 176.094 0.036 0.000 1.046 39 V CA 2.251 64.585 62.300 0.056 0.000 1.053 39 V CB -0.910 30.945 31.823 0.054 0.000 0.679 39 V HN 0.656 nan 8.190 nan 0.000 0.458 40 E N 0.656 120.869 120.200 0.020 0.000 2.077 40 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 40 E C 2.116 178.718 176.600 0.002 0.000 0.989 40 E CA 1.911 58.312 56.400 0.003 0.000 0.800 40 E CB -0.255 29.431 29.700 -0.023 0.000 0.746 40 E HN 0.703 nan 8.360 nan 0.000 0.452 41 L N -0.625 120.597 121.223 -0.003 0.000 2.291 41 L HA 0.079 4.419 4.340 -0.000 0.000 0.214 41 L C 1.423 178.292 176.870 -0.001 0.000 1.120 41 L CA 0.571 55.404 54.840 -0.011 0.000 0.799 41 L CB -0.087 41.954 42.059 -0.030 0.000 0.925 41 L HN 0.483 nan 8.230 nan 0.000 0.446 42 G N -0.524 108.287 108.800 0.018 0.000 2.204 42 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 42 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 42 G C 0.590 175.508 174.900 0.031 0.000 1.062 42 G CA 0.195 45.313 45.100 0.029 0.000 0.798 42 G HN 0.077 nan 8.290 nan 0.000 0.496 43 V N 0.308 120.246 119.914 0.040 0.000 2.307 43 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 43 V C 0.836 176.995 176.094 0.108 0.000 1.045 43 V CA 2.517 64.824 62.300 0.012 0.000 1.024 43 V CB -0.908 30.860 31.823 -0.091 0.000 0.651 43 V HN 0.408 nan 8.190 nan 0.000 0.449 44 P HA -0.193 nan 4.420 nan 0.000 0.216 44 P C 1.610 178.989 177.300 0.132 0.000 1.150 44 P CA 1.566 64.819 63.100 0.254 0.000 0.837 44 P CB -0.146 31.647 31.700 0.155 0.000 0.786 45 E N 0.140 120.391 120.200 0.084 0.000 2.338 45 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 45 E C 1.423 178.049 176.600 0.045 0.000 1.007 45 E CA 0.773 57.206 56.400 0.055 0.000 0.849 45 E CB -0.910 28.814 29.700 0.041 0.000 0.774 45 E HN 0.281 nan 8.360 nan 0.000 0.506 46 L N 0.496 121.743 121.223 0.041 0.000 2.591 46 L HA 0.138 4.478 4.340 -0.000 0.000 0.228 46 L C 1.657 178.545 176.870 0.030 0.000 1.133 46 L CA 0.132 54.985 54.840 0.021 0.000 0.880 46 L CB 0.080 42.136 42.059 -0.005 0.000 1.033 46 L HN 0.140 nan 8.230 nan 0.000 0.450 47 L N -0.717 120.541 121.223 0.060 0.000 2.910 47 L HA 0.141 4.481 4.340 -0.000 0.000 0.252 47 L C 1.512 178.423 176.870 0.069 0.000 1.195 47 L CA 0.017 54.901 54.840 0.073 0.000 1.003 47 L CB 0.288 42.423 42.059 0.128 0.000 1.328 47 L HN 0.248 nan 8.230 nan 0.000 0.540 48 Q N 0.272 120.104 119.800 0.054 0.000 2.451 48 Q HA -0.017 4.323 4.340 -0.000 0.000 0.206 48 Q C 0.364 176.384 176.000 0.034 0.000 0.947 48 Q CA 0.679 56.509 55.803 0.044 0.000 0.937 48 Q CB 0.345 29.105 28.738 0.037 0.000 1.025 48 Q HN 0.509 nan 8.270 nan 0.000 0.511 49 E N 0.067 120.286 120.200 0.032 0.000 2.869 49 E HA 0.334 4.684 4.350 -0.000 0.000 0.207 49 E C -0.075 176.540 176.600 0.025 0.000 0.986 49 E CA -0.233 56.182 56.400 0.025 0.000 1.131 49 E CB 1.274 30.986 29.700 0.020 0.000 1.098 49 E HN 0.281 nan 8.360 nan 0.000 0.459 50 G N 1.891 110.710 108.800 0.031 0.000 2.479 50 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 50 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 50 G C -3.018 171.902 174.900 0.033 0.000 1.295 50 G CA -1.372 43.746 45.100 0.030 0.000 0.922 50 G HN -0.073 nan 8.290 nan 0.000 0.582 51 P HA 0.485 nan 4.420 nan 0.000 0.269 51 P C -0.274 177.038 177.300 0.019 0.000 1.209 51 P CA -0.078 63.036 63.100 0.024 0.000 0.776 51 P CB 0.564 32.261 31.700 -0.005 0.000 0.876 52 R N 0.352 120.871 120.500 0.032 0.000 2.771 52 R HA 0.489 4.829 4.340 -0.000 0.000 0.274 52 R C -0.093 176.242 176.300 0.059 0.000 0.987 52 R CA -0.618 55.497 56.100 0.026 0.000 0.908 52 R CB 1.243 31.549 30.300 0.011 0.000 1.213 52 R HN 0.480 nan 8.270 nan 0.000 0.468 53 T N -1.855 112.724 114.554 0.040 0.000 2.868 53 T HA 0.300 4.650 4.350 -0.000 0.000 0.292 53 T C 1.461 176.211 174.700 0.084 0.000 1.028 53 T CA -0.017 62.129 62.100 0.077 0.000 1.059 53 T CB 1.216 70.100 68.868 0.026 0.000 0.991 53 T HN 0.555 nan 8.240 nan 0.000 0.531 54 A N 1.684 124.588 122.820 0.140 0.000 1.940 54 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 54 A C 2.473 180.022 177.584 -0.057 0.000 1.176 54 A CA 2.153 54.175 52.037 -0.026 0.000 0.631 54 A CB -1.796 17.201 19.000 -0.005 0.000 0.814 54 A HN 0.948 nan 8.150 nan 0.000 0.446 55 T N 0.451 114.990 114.554 -0.025 0.000 2.652 55 T HA -0.108 4.241 4.350 -0.000 0.000 0.267 55 T C 2.218 176.891 174.700 -0.045 0.000 1.039 55 T CA 1.916 63.989 62.100 -0.044 0.000 1.153 55 T CB -0.526 68.324 68.868 -0.030 0.000 0.863 55 T HN 0.626 nan 8.240 nan 0.000 0.428 56 A N 0.985 123.786 122.820 -0.031 0.000 1.898 56 A HA 0.075 4.395 4.320 -0.000 0.000 0.216 56 A C 2.347 179.903 177.584 -0.046 0.000 1.181 56 A CA 1.063 53.081 52.037 -0.031 0.000 0.620 56 A CB -0.816 18.174 19.000 -0.018 0.000 0.819 56 A HN 0.467 nan 8.150 nan 0.000 0.442 57 L N -0.733 120.450 121.223 -0.066 0.000 2.046 57 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 57 L C 3.107 179.918 176.870 -0.098 0.000 1.077 57 L CA 1.100 55.882 54.840 -0.098 0.000 0.747 57 L CB -0.565 41.393 42.059 -0.167 0.000 0.896 57 L HN 0.441 nan 8.230 nan 0.000 0.432 58 A N -0.052 122.708 122.820 -0.101 0.000 1.902 58 A HA -0.272 4.047 4.320 -0.000 0.000 0.217 58 A C 2.237 179.783 177.584 -0.063 0.000 1.181 58 A CA 1.963 53.946 52.037 -0.090 0.000 0.623 58 A CB -0.515 18.423 19.000 -0.103 0.000 0.818 58 A HN 0.469 nan 8.150 nan 0.000 0.443 59 E N -0.153 120.015 120.200 -0.054 0.000 2.077 59 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 59 E C 1.999 178.580 176.600 -0.031 0.000 0.989 59 E CA 1.163 57.540 56.400 -0.039 0.000 0.800 59 E CB -0.289 29.391 29.700 -0.033 0.000 0.746 59 E HN 0.516 nan 8.360 nan 0.000 0.452 60 A N -0.001 122.799 122.820 -0.034 0.000 2.015 60 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 60 A C 2.278 179.847 177.584 -0.025 0.000 1.163 60 A CA 1.870 53.891 52.037 -0.026 0.000 0.646 60 A CB -0.620 18.364 19.000 -0.027 0.000 0.806 60 A HN 0.458 nan 8.150 nan 0.000 0.448 61 T N -5.016 109.518 114.554 -0.035 0.000 3.069 61 T HA 0.422 4.772 4.350 -0.000 0.000 0.252 61 T C 1.195 175.879 174.700 -0.026 0.000 1.053 61 T CA 0.968 63.049 62.100 -0.032 0.000 0.964 61 T CB 0.137 68.977 68.868 -0.046 0.000 1.005 61 T HN 1.660 nan 8.240 nan 0.000 0.532 62 G N 1.254 110.040 108.800 -0.024 0.000 2.225 62 G HA2 0.057 4.016 3.960 -0.000 0.000 0.264 62 G HA3 0.057 4.016 3.960 -0.000 0.000 0.264 62 G C 0.169 175.061 174.900 -0.013 0.000 1.060 62 G CA -0.090 45.001 45.100 -0.015 0.000 0.833 62 G HN 1.151 nan 8.290 nan 0.000 0.498 63 A N -0.382 122.425 122.820 -0.022 0.000 2.281 63 A HA 0.745 5.065 4.320 -0.000 0.000 0.329 63 A C 0.300 177.895 177.584 0.017 0.000 1.122 63 A CA -0.425 51.606 52.037 -0.010 0.000 0.850 63 A CB 0.673 19.647 19.000 -0.043 0.000 1.207 63 A HN 0.783 nan 8.150 nan 0.000 0.495 64 H N 0.769 119.803 119.070 -0.059 0.000 2.819 64 H HA 0.073 4.629 4.556 -0.000 0.000 0.303 64 H C 0.974 176.267 175.328 -0.058 0.000 1.058 64 H CA 0.603 56.619 56.048 -0.052 0.000 1.471 64 H CB 0.838 30.570 29.762 -0.051 0.000 1.480 64 H HN 0.991 nan 8.280 nan 0.000 0.517 65 E N 3.619 123.585 120.200 -0.391 0.000 2.033 65 E HA -0.313 4.037 4.350 -0.000 0.000 0.199 65 E C 1.877 178.334 176.600 -0.239 0.000 1.011 65 E CA 1.647 57.882 56.400 -0.274 0.000 0.815 65 E CB 0.032 29.587 29.700 -0.242 0.000 0.755 65 E HN 0.848 nan 8.360 nan 0.000 0.451 66 Q N -0.464 119.132 119.800 -0.339 0.000 2.096 66 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 66 Q C 1.957 177.951 176.000 -0.009 0.000 0.982 66 Q CA 2.252 57.981 55.803 -0.124 0.000 0.850 66 Q CB -0.046 28.656 28.738 -0.060 0.000 0.901 66 Q HN 0.304 nan 8.270 nan 0.000 0.422 67 T N 1.286 115.904 114.554 0.106 0.000 2.857 67 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 67 T C 1.692 176.383 174.700 -0.016 0.000 1.048 67 T CA 0.914 63.071 62.100 0.095 0.000 1.139 67 T CB -0.171 68.797 68.868 0.167 0.000 0.874 67 T HN 0.222 nan 8.240 nan 0.000 0.455 68 L N 1.519 122.709 121.223 -0.056 0.000 2.093 68 L HA 0.098 4.438 4.340 -0.000 0.000 0.208 68 L C 2.498 179.249 176.870 -0.198 0.000 1.085 68 L CA 1.629 56.388 54.840 -0.136 0.000 0.755 68 L CB -0.514 41.450 42.059 -0.159 0.000 0.904 68 L HN 0.051 nan 8.230 nan 0.000 0.435 69 R N -0.633 119.776 120.500 -0.151 0.000 2.091 69 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 69 R C 2.416 178.675 176.300 -0.068 0.000 1.136 69 R CA 1.678 57.706 56.100 -0.120 0.000 0.959 69 R CB -0.159 30.130 30.300 -0.017 0.000 0.856 69 R HN 0.332 nan 8.270 nan 0.000 0.437 70 R N 0.109 120.584 120.500 -0.041 0.000 2.083 70 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 70 R C 2.381 178.659 176.300 -0.037 0.000 1.137 70 R CA 1.637 57.727 56.100 -0.018 0.000 0.951 70 R CB -0.538 29.755 30.300 -0.011 0.000 0.851 70 R HN 0.195 nan 8.270 nan 0.000 0.434 71 L N 0.855 122.032 121.223 -0.077 0.000 2.017 71 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 71 L C 1.987 178.798 176.870 -0.098 0.000 1.073 71 L CA 1.646 56.439 54.840 -0.079 0.000 0.745 71 L CB -0.230 41.769 42.059 -0.100 0.000 0.894 71 L HN 0.153 nan 8.230 nan 0.000 0.432 72 L N -1.216 119.863 121.223 -0.240 0.000 2.093 72 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 72 L C 2.732 179.565 176.870 -0.062 0.000 1.085 72 L CA 1.024 55.639 54.840 -0.376 0.000 0.755 72 L CB -0.488 40.905 42.059 -1.110 0.000 0.904 72 L HN 0.210 nan 8.230 nan 0.000 0.435 73 R N -0.258 120.273 120.500 0.051 0.000 2.092 73 R HA -0.175 4.165 4.340 -0.000 0.000 0.231 73 R C 2.219 178.596 176.300 0.129 0.000 1.119 73 R CA 1.224 57.450 56.100 0.211 0.000 0.970 73 R CB -0.425 29.983 30.300 0.179 0.000 0.864 73 R HN 0.186 nan 8.270 nan 0.000 0.440 74 L N 1.120 122.388 121.223 0.075 0.000 2.017 74 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 74 L C 1.936 178.854 176.870 0.080 0.000 1.073 74 L CA 1.668 56.550 54.840 0.069 0.000 0.745 74 L CB -0.482 41.607 42.059 0.050 0.000 0.894 74 L HN 0.124 nan 8.230 nan 0.000 0.432 75 L N -0.431 120.845 121.223 0.090 0.000 2.042 75 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 75 L C 2.669 179.624 176.870 0.141 0.000 1.076 75 L CA 1.277 56.188 54.840 0.118 0.000 0.749 75 L CB -0.834 41.346 42.059 0.202 0.000 0.893 75 L HN 0.437 nan 8.230 nan 0.000 0.432 76 A N -0.119 122.816 122.820 0.192 0.000 1.933 76 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 76 A C 2.396 180.047 177.584 0.111 0.000 1.175 76 A CA 2.101 54.252 52.037 0.189 0.000 0.628 76 A CB -0.974 18.181 19.000 0.259 0.000 0.814 76 A HN 0.535 nan 8.150 nan 0.000 0.444 77 T N -1.779 112.832 114.554 0.095 0.000 2.929 77 T HA -0.063 4.287 4.350 -0.000 0.000 0.271 77 T C 1.212 175.938 174.700 0.043 0.000 1.085 77 T CA 1.595 63.732 62.100 0.062 0.000 1.125 77 T CB -0.735 68.167 68.868 0.057 0.000 0.874 77 T HN 0.895 nan 8.240 nan 0.000 0.494 78 V N -2.683 117.256 119.914 0.042 0.000 3.271 78 V HA 0.775 4.895 4.120 -0.000 0.000 0.327 78 V C 1.477 177.575 176.094 0.007 0.000 1.389 78 V CA -0.033 62.277 62.300 0.017 0.000 1.156 78 V CB -0.718 31.109 31.823 0.007 0.000 1.103 78 V HN 0.702 nan 8.190 nan 0.000 0.453 79 G N -0.037 108.776 108.800 0.022 0.000 2.176 79 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.232 79 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.232 79 G C -0.036 174.855 174.900 -0.015 0.000 0.986 79 G CA -0.065 45.039 45.100 0.007 0.000 0.643 79 G HN 0.901 nan 8.290 nan 0.000 0.522 80 V N 1.480 121.387 119.914 -0.012 0.000 2.370 80 V HA 0.756 4.876 4.120 -0.000 0.000 0.283 80 V C 0.635 176.723 176.094 -0.011 0.000 1.023 80 V CA -0.292 61.933 62.300 -0.124 0.000 0.857 80 V CB 0.030 31.746 31.823 -0.179 0.000 0.985 80 V HN 0.736 nan 8.190 nan 0.000 0.443 81 F N 1.607 121.574 119.950 0.029 0.000 2.177 81 F HA -0.177 4.350 4.527 0.000 0.000 0.339 81 F C 0.176 176.027 175.800 0.085 0.000 1.260 81 F CA 0.282 58.320 58.000 0.062 0.000 0.998 81 F CB -0.122 38.926 39.000 0.080 0.000 4.007 81 F HN 0.635 nan 8.300 nan 0.000 0.261 82 D N 1.601 122.184 120.400 0.306 0.000 2.280 82 D HA 0.215 4.855 4.640 -0.000 0.000 0.236 82 D C -1.014 175.376 176.300 0.150 0.000 1.082 82 D CA -0.382 53.722 54.000 0.173 0.000 0.834 82 D CB 0.973 41.833 40.800 0.099 0.000 1.100 82 D HN 0.458 nan 8.370 nan 0.000 0.486 83 D N 4.252 124.695 120.400 0.072 0.000 2.339 83 D HA 0.061 4.701 4.640 -0.000 0.000 0.241 83 D C 1.245 177.404 176.300 -0.234 0.000 1.183 83 D CA -0.309 53.581 54.000 -0.182 0.000 0.859 83 D CB 0.833 41.601 40.800 -0.054 0.000 1.067 83 D HN 0.444 nan 8.370 nan 0.000 0.484 84 L N 3.223 124.226 121.223 -0.366 0.000 2.362 84 L HA 0.017 4.357 4.340 -0.000 0.000 0.219 84 L C 1.788 178.544 176.870 -0.190 0.000 1.134 84 L CA 0.848 55.532 54.840 -0.261 0.000 0.807 84 L CB -0.454 41.371 42.059 -0.390 0.000 0.927 84 L HN 0.757 nan 8.230 nan 0.000 0.447 85 G N 0.509 109.155 108.800 -0.258 0.000 2.148 85 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 85 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 85 G C 0.098 174.986 174.900 -0.021 0.000 0.981 85 G CA 0.631 45.663 45.100 -0.113 0.000 0.670 85 G HN 0.743 nan 8.290 nan 0.000 0.528 86 H N -3.592 115.396 119.070 -0.137 0.000 3.064 86 H HA 0.569 5.125 4.556 -0.000 0.000 0.352 86 H C 0.114 175.378 175.328 -0.107 0.000 1.260 86 H CA -0.393 55.596 56.048 -0.098 0.000 1.160 86 H CB 0.812 30.533 29.762 -0.069 0.000 1.879 86 H HN -0.029 nan 8.280 nan 0.000 0.544 87 D N 1.319 121.719 120.400 -0.001 0.000 2.911 87 D HA -0.220 4.420 4.640 -0.000 0.000 0.227 87 D C -0.108 176.123 176.300 -0.115 0.000 1.164 87 D CA 1.811 55.797 54.000 -0.022 0.000 0.782 87 D CB -0.829 40.022 40.800 0.085 0.000 1.094 87 D HN 0.962 nan 8.370 nan 0.000 0.425 88 D N -1.108 119.201 120.400 -0.152 0.000 3.012 88 D HA -0.216 4.424 4.640 -0.000 0.000 0.222 88 D C -0.227 175.956 176.300 -0.194 0.000 1.167 88 D CA 0.714 54.640 54.000 -0.124 0.000 0.854 88 D CB -0.938 39.857 40.800 -0.009 0.000 1.107 88 D HN 0.516 nan 8.370 nan 0.000 0.421 89 L N -0.056 120.926 121.223 -0.401 0.000 2.334 89 L HA 0.556 4.896 4.340 -0.000 0.000 0.277 89 L C 0.397 176.893 176.870 -0.623 0.000 1.075 89 L CA -0.553 54.077 54.840 -0.350 0.000 0.804 89 L CB 0.771 42.613 42.059 -0.362 0.000 1.174 89 L HN -0.113 nan 8.230 nan 0.000 0.438 90 F N 0.906 120.784 119.950 -0.120 0.000 2.593 90 F HA 0.792 5.319 4.527 -0.000 0.000 0.320 90 F C 0.127 175.897 175.800 -0.050 0.000 1.060 90 F CA -0.619 57.325 58.000 -0.094 0.000 0.940 90 F CB 2.055 40.961 39.000 -0.157 0.000 1.268 90 F HN 0.421 nan 8.300 nan 0.000 0.475 91 A N 1.330 124.262 122.820 0.187 0.000 2.539 91 A HA 0.667 4.987 4.320 -0.000 0.000 0.296 91 A C -1.245 176.483 177.584 0.239 0.000 1.073 91 A CA -0.822 51.305 52.037 0.151 0.000 0.700 91 A CB 1.616 20.663 19.000 0.079 0.000 1.296 91 A HN 0.655 nan 8.150 nan 0.000 0.405 92 Q N 0.858 120.778 119.800 0.200 0.000 2.395 92 Q HA 0.334 4.674 4.340 -0.000 0.000 0.271 92 Q C 0.156 176.228 176.000 0.119 0.000 1.026 92 Q CA 0.746 56.666 55.803 0.196 0.000 0.900 92 Q CB 0.415 29.225 28.738 0.121 0.000 1.266 92 Q HN 0.902 nan 8.270 nan 0.000 0.430 93 N N 1.101 119.837 118.700 0.061 0.000 3.167 93 N HA 0.456 5.196 4.740 -0.000 0.000 0.323 93 N C -0.291 175.204 175.510 -0.025 0.000 1.478 93 N CA -0.126 52.935 53.050 0.019 0.000 0.753 93 N CB -0.003 38.499 38.487 0.026 0.000 1.721 93 N HN 0.424 nan 8.380 nan 0.000 0.618 94 A N -0.161 122.644 122.820 -0.024 0.000 1.933 94 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 94 A C 2.008 179.555 177.584 -0.062 0.000 1.175 94 A CA 1.248 53.266 52.037 -0.032 0.000 0.628 94 A CB -1.047 17.941 19.000 -0.021 0.000 0.814 94 A HN 0.565 nan 8.150 nan 0.000 0.444 95 L N 0.080 121.250 121.223 -0.089 0.000 2.072 95 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 95 L C 3.007 179.755 176.870 -0.204 0.000 1.079 95 L CA 1.546 56.310 54.840 -0.126 0.000 0.752 95 L CB -0.602 41.381 42.059 -0.127 0.000 0.906 95 L HN 0.606 nan 8.230 nan 0.000 0.436 96 S N 0.304 115.820 115.700 -0.307 0.000 2.406 96 S HA -0.092 4.378 4.470 -0.000 0.000 0.228 96 S C 2.180 176.647 174.600 -0.221 0.000 1.020 96 S CA 0.699 58.606 58.200 -0.488 0.000 0.965 96 S CB -0.326 62.281 63.200 -0.988 0.000 0.798 96 S HN 0.314 nan 8.310 nan 0.000 0.488 97 A N 2.106 124.856 122.820 -0.116 0.000 1.940 97 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 97 A C 2.450 180.008 177.584 -0.043 0.000 1.176 97 A CA 1.839 53.848 52.037 -0.047 0.000 0.631 97 A CB -1.281 17.706 19.000 -0.022 0.000 0.814 97 A HN 1.200 nan 8.150 nan 0.000 0.446 98 V N -2.564 117.314 119.914 -0.060 0.000 3.141 98 V HA 0.033 4.153 4.120 -0.000 0.000 0.265 98 V C 1.733 177.806 176.094 -0.036 0.000 1.126 98 V CA 1.468 63.744 62.300 -0.039 0.000 1.141 98 V CB -0.755 31.045 31.823 -0.038 0.000 0.743 98 V HN 0.436 nan 8.190 nan 0.000 0.492 99 L N -0.055 121.133 121.223 -0.058 0.000 2.591 99 L HA 0.296 4.636 4.340 -0.000 0.000 0.228 99 L C 0.973 177.841 176.870 -0.002 0.000 1.133 99 L CA 0.031 54.848 54.840 -0.038 0.000 0.880 99 L CB -0.203 41.809 42.059 -0.078 0.000 1.033 99 L HN 0.278 nan 8.230 nan 0.000 0.450 100 L N 1.511 122.735 121.223 0.002 0.000 2.485 100 L HA 0.062 4.402 4.340 -0.000 0.000 0.275 100 L C -1.868 175.016 176.870 0.023 0.000 1.207 100 L CA -1.634 53.218 54.840 0.021 0.000 0.855 100 L CB -0.143 41.928 42.059 0.020 0.000 1.114 100 L HN -0.163 nan 8.230 nan 0.000 0.485 101 P HA 0.071 nan 4.420 nan 0.000 0.266 101 P C -1.126 176.189 177.300 0.026 0.000 1.215 101 P CA 0.172 63.290 63.100 0.030 0.000 0.763 101 P CB 0.485 32.205 31.700 0.033 0.000 0.806 102 D N 4.483 124.898 120.400 0.025 0.000 2.591 102 D HA 0.118 4.758 4.640 -0.000 0.000 0.222 102 D C -2.096 174.216 176.300 0.020 0.000 1.360 102 D CA -1.901 52.111 54.000 0.021 0.000 0.967 102 D CB 1.555 42.366 40.800 0.018 0.000 1.456 102 D HN 0.058 nan 8.370 nan 0.000 0.588 103 P HA -0.023 nan 4.420 nan 0.000 0.228 103 P C 0.770 178.076 177.300 0.011 0.000 1.151 103 P CA 0.446 63.554 63.100 0.014 0.000 0.770 103 P CB 0.338 32.046 31.700 0.012 0.000 0.786 104 A N -0.632 122.196 122.820 0.014 0.000 2.308 104 A HA 0.153 4.473 4.320 -0.000 0.000 0.217 104 A C 1.247 178.841 177.584 0.017 0.000 1.216 104 A CA 0.134 52.180 52.037 0.014 0.000 0.864 104 A CB -0.340 18.669 19.000 0.015 0.000 0.902 104 A HN 0.214 nan 8.150 nan 0.000 0.499 105 S N 0.454 116.165 115.700 0.018 0.000 2.420 105 S HA 0.449 4.919 4.470 -0.000 0.000 0.313 105 S C -1.816 172.799 174.600 0.025 0.000 1.079 105 S CA -1.545 56.667 58.200 0.020 0.000 1.104 105 S CB 1.002 64.213 63.200 0.018 0.000 0.969 105 S HN 0.069 nan 8.310 nan 0.000 0.471 106 P HA -0.125 nan 4.420 nan 0.000 0.215 106 P C 1.488 178.815 177.300 0.045 0.000 1.157 106 P CA 0.874 63.995 63.100 0.035 0.000 0.874 106 P CB 0.080 31.804 31.700 0.039 0.000 0.790 107 V N -0.094 119.842 119.914 0.037 0.000 2.358 107 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 107 V C 2.465 178.582 176.094 0.039 0.000 1.047 107 V CA 2.144 64.465 62.300 0.036 0.000 1.035 107 V CB -1.773 30.059 31.823 0.015 0.000 0.658 107 V HN 0.092 nan 8.190 nan 0.000 0.452 108 A N 0.986 123.824 122.820 0.031 0.000 1.902 108 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 108 A C 2.503 180.120 177.584 0.056 0.000 1.181 108 A CA 2.554 54.611 52.037 0.034 0.000 0.623 108 A CB -0.977 18.038 19.000 0.025 0.000 0.818 108 A HN 0.632 nan 8.150 nan 0.000 0.443 109 T N -2.880 111.709 114.554 0.058 0.000 2.904 109 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 109 T C 1.580 176.357 174.700 0.128 0.000 1.059 109 T CA 1.505 63.649 62.100 0.073 0.000 1.137 109 T CB -0.348 68.543 68.868 0.038 0.000 0.879 109 T HN 0.311 nan 8.240 nan 0.000 0.467 110 D N 1.900 122.379 120.400 0.132 0.000 2.117 110 D HA 0.077 4.717 4.640 -0.000 0.000 0.198 110 D C 2.407 178.809 176.300 0.171 0.000 0.982 110 D CA 1.301 55.429 54.000 0.215 0.000 0.828 110 D CB -0.586 40.320 40.800 0.176 0.000 0.967 110 D HN 0.476 nan 8.370 nan 0.000 0.464 111 A N 0.458 123.347 122.820 0.115 0.000 1.908 111 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 111 A C 2.259 179.886 177.584 0.072 0.000 1.181 111 A CA 2.028 54.136 52.037 0.119 0.000 0.627 111 A CB -0.550 18.507 19.000 0.096 0.000 0.818 111 A HN 0.161 nan 8.150 nan 0.000 0.445 112 R N -1.164 119.385 120.500 0.081 0.000 2.092 112 R HA -0.073 4.267 4.340 -0.000 0.000 0.231 112 R C 1.733 178.067 176.300 0.057 0.000 1.119 112 R CA 1.658 57.794 56.100 0.059 0.000 0.970 112 R CB -0.887 29.465 30.300 0.087 0.000 0.864 112 R HN 0.501 nan 8.270 nan 0.000 0.440 113 F N 1.247 121.171 119.950 -0.044 0.000 2.113 113 F HA -0.111 4.415 4.527 -0.000 0.000 0.297 113 F C 1.710 177.344 175.800 -0.277 0.000 1.103 113 F CA 1.736 59.728 58.000 -0.013 0.000 1.248 113 F CB -0.420 38.668 39.000 0.146 0.000 0.999 113 F HN 0.111 nan 8.300 nan 0.000 0.475 114 Q N 0.012 119.439 119.800 -0.623 0.000 2.291 114 Q HA -0.069 4.271 4.340 -0.000 0.000 0.205 114 Q C 2.360 177.707 176.000 -1.089 0.000 0.970 114 Q CA 1.010 56.071 55.803 -1.237 0.000 0.876 114 Q CB -0.414 27.787 28.738 -0.894 0.000 0.935 114 Q HN 0.527 nan 8.270 nan 0.000 0.455 115 A N 1.454 123.822 122.820 -0.754 0.000 2.019 115 A HA 0.045 4.364 4.320 -0.000 0.000 0.219 115 A C 1.284 178.594 177.584 -0.457 0.000 1.164 115 A CA 0.765 52.484 52.037 -0.529 0.000 0.644 115 A CB -0.551 18.316 19.000 -0.220 0.000 0.805 115 A HN 0.356 nan 8.150 nan 0.000 0.449 116 A N 0.577 123.058 122.820 -0.566 0.000 2.546 116 A HA 0.366 4.686 4.320 -0.000 0.000 0.243 116 A C -0.526 176.671 177.584 -0.645 0.000 1.063 116 A CA -0.398 51.191 52.037 -0.747 0.000 0.757 116 A CB 0.032 18.128 19.000 -1.506 0.000 0.991 116 A HN 0.320 nan 8.150 nan 0.000 0.503 117 P HA -0.167 nan 4.420 nan 0.000 0.218 117 P C 1.374 178.640 177.300 -0.057 0.000 1.148 117 P CA 1.683 64.688 63.100 -0.159 0.000 0.822 117 P CB -0.213 31.451 31.700 -0.060 0.000 0.784 118 W N -0.676 120.662 121.300 0.064 0.000 2.519 118 W HA -0.062 4.598 4.660 -0.000 0.000 0.266 118 W C 1.921 178.445 176.519 0.008 0.000 1.253 118 W CA 0.279 57.604 57.345 -0.033 0.000 1.274 118 W CB -2.063 27.368 29.460 -0.049 0.000 1.114 118 W HN 0.103 nan 8.180 nan 0.000 0.596 119 H N 0.123 119.112 119.070 -0.136 0.000 2.307 119 H HA -0.185 4.371 4.556 -0.000 0.000 0.303 119 H C 2.107 177.532 175.328 0.161 0.000 1.073 119 H CA 2.005 58.045 56.048 -0.013 0.000 1.338 119 H CB -1.150 28.312 29.762 -0.501 0.000 1.389 119 H HN 0.172 nan 8.280 nan 0.000 0.503 120 W N 2.420 123.801 121.300 0.134 0.000 2.342 120 W HA -0.190 4.470 4.660 -0.000 0.000 0.297 120 W C 2.534 179.153 176.519 0.167 0.000 1.213 120 W CA 1.492 58.939 57.345 0.170 0.000 1.251 120 W CB -0.249 29.220 29.460 0.014 0.000 1.136 120 W HN 0.230 nan 8.180 nan 0.000 0.526 121 R N 0.517 121.153 120.500 0.227 0.000 2.115 121 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 121 R C 2.452 178.716 176.300 -0.060 0.000 1.111 121 R CA 1.443 57.587 56.100 0.073 0.000 0.976 121 R CB -0.536 29.790 30.300 0.043 0.000 0.870 121 R HN 0.084 nan 8.270 nan 0.000 0.445 122 A N 0.103 122.855 122.820 -0.114 0.000 1.908 122 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 122 A C 1.670 179.093 177.584 -0.269 0.000 1.181 122 A CA 1.337 53.237 52.037 -0.229 0.000 0.627 122 A CB -0.917 17.956 19.000 -0.212 0.000 0.818 122 A HN 0.563 nan 8.150 nan 0.000 0.445 123 W N -0.077 121.110 121.300 -0.188 0.000 2.425 123 W HA -0.033 4.627 4.660 -0.000 0.000 0.277 123 W C 2.178 178.558 176.519 -0.233 0.000 1.231 123 W CA 0.975 58.178 57.345 -0.237 0.000 1.248 123 W CB -0.050 29.186 29.460 -0.373 0.000 1.117 123 W HN 0.550 nan 8.180 nan 0.000 0.568 124 E N 0.243 120.418 120.200 -0.041 0.000 2.130 124 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 124 E C 1.292 177.882 176.600 -0.016 0.000 0.998 124 E CA 1.123 57.502 56.400 -0.034 0.000 0.806 124 E CB -0.034 29.661 29.700 -0.007 0.000 0.738 124 E HN 0.187 nan 8.360 nan 0.000 0.459 125 Q N 0.411 120.183 119.800 -0.045 0.000 2.211 125 Q HA 0.049 4.389 4.340 -0.000 0.000 0.231 125 Q C 1.488 177.478 176.000 -0.016 0.000 0.865 125 Q CA -0.186 55.600 55.803 -0.029 0.000 0.997 125 Q CB 0.660 29.357 28.738 -0.067 0.000 1.101 125 Q HN 0.277 nan 8.270 nan 0.000 0.468 126 L N 0.792 121.997 121.223 -0.030 0.000 2.051 126 L HA -0.206 4.134 4.340 -0.000 0.000 0.214 126 L C 1.794 178.662 176.870 -0.003 0.000 1.076 126 L CA 2.093 56.909 54.840 -0.040 0.000 0.758 126 L CB -0.818 41.274 42.059 0.055 0.000 0.890 126 L HN 0.128 nan 8.230 nan 0.000 0.433 127 T N -1.727 112.841 114.554 0.024 0.000 2.737 127 T HA -0.293 4.057 4.350 -0.000 0.000 0.269 127 T C 1.726 176.439 174.700 0.021 0.000 1.040 127 T CA 1.741 63.855 62.100 0.022 0.000 1.142 127 T CB -0.517 68.368 68.868 0.030 0.000 0.861 127 T HN 0.671 nan 8.240 nan 0.000 0.456 128 H N 0.978 120.023 119.070 -0.042 0.000 2.353 128 H HA -0.020 4.536 4.556 -0.000 0.000 0.300 128 H C 2.391 177.688 175.328 -0.052 0.000 1.090 128 H CA 1.863 57.886 56.048 -0.043 0.000 1.327 128 H CB -0.320 29.413 29.762 -0.047 0.000 1.383 128 H HN 0.176 nan 8.280 nan 0.000 0.508 129 S N -0.684 114.982 115.700 -0.056 0.000 2.356 129 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 129 S C 2.304 176.821 174.600 -0.140 0.000 1.032 129 S CA 1.208 59.336 58.200 -0.120 0.000 1.005 129 S CB -0.313 62.827 63.200 -0.100 0.000 0.867 129 S HN 0.294 nan 8.310 nan 0.000 0.449 130 V N 1.771 121.627 119.914 -0.096 0.000 2.626 130 V HA -0.093 4.027 4.120 -0.000 0.000 0.252 130 V C 2.281 178.320 176.094 -0.091 0.000 1.067 130 V CA 1.432 63.687 62.300 -0.075 0.000 1.081 130 V CB -0.622 31.177 31.823 -0.039 0.000 0.686 130 V HN 0.368 nan 8.190 nan 0.000 0.468 131 R N 0.203 120.628 120.500 -0.125 0.000 2.161 131 R HA -0.038 4.302 4.340 -0.000 0.000 0.213 131 R C 2.195 178.397 176.300 -0.164 0.000 1.055 131 R CA 1.660 57.684 56.100 -0.126 0.000 0.996 131 R CB -0.126 30.105 30.300 -0.115 0.000 0.901 131 R HN 0.721 nan 8.270 nan 0.000 0.456 132 T N -5.519 108.889 114.554 -0.244 0.000 2.954 132 T HA 0.218 4.567 4.350 -0.000 0.000 0.252 132 T C 1.357 175.966 174.700 -0.152 0.000 0.983 132 T CA 0.531 62.492 62.100 -0.232 0.000 0.941 132 T CB 1.154 69.779 68.868 -0.404 0.000 1.141 132 T HN 0.266 nan 8.240 nan 0.000 0.500 133 G N 1.235 109.950 108.800 -0.140 0.000 2.179 133 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 133 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 133 G C -0.191 174.665 174.900 -0.073 0.000 0.977 133 G CA 0.331 45.378 45.100 -0.089 0.000 0.641 133 G HN 0.691 nan 8.290 nan 0.000 0.533 134 E N 0.078 120.225 120.200 -0.088 0.000 2.232 134 E HA 0.684 5.034 4.350 -0.000 0.000 0.265 134 E C 0.725 177.326 176.600 0.001 0.000 1.001 134 E CA -0.309 56.078 56.400 -0.021 0.000 0.870 134 E CB 1.271 30.994 29.700 0.038 0.000 1.175 134 E HN 0.665 nan 8.360 nan 0.000 0.407 135 A N 0.907 123.728 122.820 0.002 0.000 2.511 135 A HA 0.049 4.369 4.320 -0.000 0.000 0.242 135 A C 0.973 178.588 177.584 0.052 0.000 1.069 135 A CA 0.363 52.383 52.037 -0.029 0.000 0.763 135 A CB 0.082 19.042 19.000 -0.066 0.000 1.001 135 A HN 0.677 nan 8.150 nan 0.000 0.498 136 S N 1.918 117.612 115.700 -0.010 0.000 2.501 136 S HA -0.061 4.409 4.470 -0.000 0.000 0.220 136 S C 1.495 176.062 174.600 -0.056 0.000 0.997 136 S CA 0.736 58.926 58.200 -0.017 0.000 0.919 136 S CB -0.571 62.579 63.200 -0.084 0.000 0.778 136 S HN 0.712 nan 8.310 nan 0.000 0.523 137 F N 3.450 123.295 119.950 -0.174 0.000 2.063 137 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 137 F C 1.608 177.352 175.800 -0.093 0.000 1.109 137 F CA 2.300 60.221 58.000 -0.132 0.000 1.212 137 F CB -0.451 38.464 39.000 -0.141 0.000 0.973 137 F HN 0.170 nan 8.300 nan 0.000 0.480 138 D N -0.366 120.140 120.400 0.178 0.000 2.097 138 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 138 D C 2.350 178.621 176.300 -0.049 0.000 0.989 138 D CA 1.662 55.717 54.000 0.092 0.000 0.827 138 D CB -0.641 40.202 40.800 0.071 0.000 0.966 138 D HN 0.200 nan 8.370 nan 0.000 0.456 139 V N 0.830 120.664 119.914 -0.133 0.000 2.427 139 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 139 V C 2.332 178.316 176.094 -0.182 0.000 1.051 139 V CA 1.758 63.922 62.300 -0.226 0.000 1.048 139 V CB -0.751 30.773 31.823 -0.499 0.000 0.666 139 V HN 0.247 nan 8.190 nan 0.000 0.456 140 A N 0.029 122.736 122.820 -0.187 0.000 1.930 140 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 140 A C 1.902 179.377 177.584 -0.181 0.000 1.176 140 A CA 1.466 53.398 52.037 -0.176 0.000 0.632 140 A CB -0.298 18.585 19.000 -0.196 0.000 0.819 140 A HN 0.574 nan 8.150 nan 0.000 0.445 141 N N -1.353 117.198 118.700 -0.248 0.000 2.205 141 N HA 0.156 4.896 4.740 -0.000 0.000 0.201 141 N C 1.058 176.505 175.510 -0.105 0.000 1.128 141 N CA 0.875 53.786 53.050 -0.232 0.000 0.867 141 N CB 0.764 38.945 38.487 -0.510 0.000 0.996 141 N HN 0.554 nan 8.380 nan 0.000 0.503 142 G N 0.833 109.589 108.800 -0.072 0.000 2.166 142 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 142 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 142 G C 0.225 175.127 174.900 0.003 0.000 0.986 142 G CA 1.319 46.401 45.100 -0.031 0.000 0.683 142 G HN 0.532 nan 8.290 nan 0.000 0.527 143 T N -1.276 113.300 114.554 0.038 0.000 2.802 143 T HA 0.632 4.982 4.350 -0.000 0.000 0.311 143 T C 0.195 175.020 174.700 0.209 0.000 1.405 143 T CA 0.820 62.972 62.100 0.087 0.000 1.016 143 T CB 1.188 70.091 68.868 0.059 0.000 1.352 143 T HN 1.401 nan 8.240 nan 0.000 0.498 144 S N 1.470 117.249 115.700 0.132 0.000 2.617 144 S HA 0.430 4.900 4.470 -0.000 0.000 0.269 144 S C 1.120 175.616 174.600 -0.172 0.000 1.292 144 S CA -0.539 57.699 58.200 0.063 0.000 1.010 144 S CB 0.593 63.814 63.200 0.036 0.000 0.944 144 S HN 0.650 nan 8.310 nan 0.000 0.536 145 F N 1.038 120.437 119.950 -0.919 0.000 2.095 145 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 145 F C 1.656 176.983 175.800 -0.788 0.000 1.104 145 F CA 1.434 58.591 58.000 -1.406 0.000 1.232 145 F CB -0.457 37.481 39.000 -1.770 0.000 0.987 145 F HN 0.757 nan 8.300 nan 0.000 0.475 146 W N -0.083 121.067 121.300 -0.250 0.000 2.363 146 W HA -0.205 4.455 4.660 -0.000 0.000 0.296 146 W C 2.589 179.005 176.519 -0.171 0.000 1.212 146 W CA 0.755 57.986 57.345 -0.190 0.000 1.260 146 W CB -0.625 28.827 29.460 -0.014 0.000 1.131 146 W HN 0.071 nan 8.180 nan 0.000 0.530 147 Q N 0.797 120.637 119.800 0.066 0.000 2.079 147 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 147 Q C 2.080 178.075 176.000 -0.008 0.000 0.974 147 Q CA 1.543 57.386 55.803 0.067 0.000 0.840 147 Q CB -0.788 27.985 28.738 0.058 0.000 0.898 147 Q HN 0.298 nan 8.270 nan 0.000 0.430 148 L N 0.228 121.357 121.223 -0.157 0.000 2.012 148 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 148 L C 2.116 178.797 176.870 -0.314 0.000 1.073 148 L CA 2.682 57.366 54.840 -0.260 0.000 0.748 148 L CB -1.189 40.644 42.059 -0.377 0.000 0.891 148 L HN 0.504 nan 8.230 nan 0.000 0.431 149 T N -4.228 110.074 114.554 -0.420 0.000 3.035 149 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 149 T C 1.807 176.480 174.700 -0.046 0.000 1.109 149 T CA 1.194 63.117 62.100 -0.295 0.000 1.119 149 T CB -0.726 67.893 68.868 -0.414 0.000 0.900 149 T HN 0.638 nan 8.240 nan 0.000 0.503 150 H N 1.436 120.460 119.070 -0.077 0.000 2.372 150 H HA 0.165 4.721 4.556 -0.000 0.000 0.301 150 H C 2.038 177.349 175.328 -0.029 0.000 1.065 150 H CA 1.601 57.637 56.048 -0.020 0.000 1.364 150 H CB -0.057 29.705 29.762 0.001 0.000 1.406 150 H HN 0.484 nan 8.280 nan 0.000 0.521 151 E N -0.774 119.299 120.200 -0.211 0.000 2.276 151 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 151 E C -0.097 176.410 176.600 -0.155 0.000 0.983 151 E CA 0.338 56.595 56.400 -0.238 0.000 0.861 151 E CB 0.529 30.172 29.700 -0.095 0.000 0.817 151 E HN 0.318 nan 8.360 nan 0.000 0.485 152 D N 0.662 120.984 120.400 -0.130 0.000 2.441 152 D HA 0.076 4.716 4.640 -0.000 0.000 0.231 152 D C -1.764 174.511 176.300 -0.042 0.000 1.073 152 D CA -2.484 51.467 54.000 -0.082 0.000 0.850 152 D CB 1.472 42.208 40.800 -0.107 0.000 1.062 152 D HN -0.154 nan 8.370 nan 0.000 0.524 153 P HA -0.150 nan 4.420 nan 0.000 0.218 153 P C 1.256 178.595 177.300 0.066 0.000 1.149 153 P CA 0.805 63.915 63.100 0.017 0.000 0.817 153 P CB 0.692 32.399 31.700 0.011 0.000 0.785 154 K N 0.258 120.712 120.400 0.089 0.000 2.031 154 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 154 K C 2.204 178.949 176.600 0.240 0.000 1.049 154 K CA 1.268 57.645 56.287 0.151 0.000 0.939 154 K CB -0.509 32.088 32.500 0.161 0.000 0.717 154 K HN -0.076 nan 8.250 nan 0.000 0.438 155 A N 1.706 124.663 122.820 0.229 0.000 1.902 155 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 155 A C 2.167 179.895 177.584 0.240 0.000 1.181 155 A CA 1.533 53.749 52.037 0.299 0.000 0.623 155 A CB -0.613 18.258 19.000 -0.215 0.000 0.818 155 A HN 0.386 nan 8.150 nan 0.000 0.443 156 R N -0.243 120.323 120.500 0.110 0.000 2.091 156 R HA -0.226 4.114 4.340 -0.000 0.000 0.238 156 R C 2.159 178.586 176.300 0.211 0.000 1.136 156 R CA 2.057 58.248 56.100 0.153 0.000 0.959 156 R CB -0.251 30.104 30.300 0.091 0.000 0.856 156 R HN 0.603 nan 8.270 nan 0.000 0.437 157 E N 0.581 120.885 120.200 0.173 0.000 2.072 157 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 157 E C 2.066 178.765 176.600 0.166 0.000 0.985 157 E CA 1.286 57.771 56.400 0.142 0.000 0.801 157 E CB -0.260 29.510 29.700 0.117 0.000 0.750 157 E HN 0.400 nan 8.360 nan 0.000 0.452 158 L N -0.172 121.217 121.223 0.276 0.000 2.012 158 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 158 L C 2.441 179.443 176.870 0.220 0.000 1.073 158 L CA 1.573 56.617 54.840 0.341 0.000 0.748 158 L CB -0.660 41.752 42.059 0.589 0.000 0.891 158 L HN 0.247 nan 8.230 nan 0.000 0.431 159 F N 1.509 121.529 119.950 0.117 0.000 2.075 159 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 159 F C 2.397 178.125 175.800 -0.119 0.000 1.113 159 F CA 1.661 59.528 58.000 -0.221 0.000 1.218 159 F CB -0.501 38.555 39.000 0.094 0.000 0.984 159 F HN 0.076 nan 8.300 nan 0.000 0.472 160 N N 0.623 119.182 118.700 -0.235 0.000 2.205 160 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 160 N C 1.986 177.348 175.510 -0.247 0.000 1.015 160 N CA 1.215 54.078 53.050 -0.311 0.000 0.862 160 N CB -0.412 38.047 38.487 -0.046 0.000 0.986 160 N HN 0.398 nan 8.380 nan 0.000 0.429 161 R N 0.498 120.913 120.500 -0.141 0.000 2.073 161 R HA 0.135 4.475 4.340 -0.000 0.000 0.229 161 R C 1.081 177.309 176.300 -0.121 0.000 1.120 161 R CA 0.699 56.749 56.100 -0.084 0.000 0.967 161 R CB -0.135 30.161 30.300 -0.006 0.000 0.862 161 R HN 0.132 nan 8.270 nan 0.000 0.436 165 S N 0.931 116.614 115.700 -0.029 0.000 2.357 165 S HA -0.015 4.455 4.470 -0.000 0.000 0.221 165 S C 2.208 176.817 174.600 0.016 0.000 1.031 165 S CA 1.607 59.806 58.200 -0.002 0.000 0.982 165 S CB -0.550 62.651 63.200 0.002 0.000 0.853 165 S HN 0.268 nan 8.310 nan 0.000 0.458 166 V N 1.954 121.878 119.914 0.017 0.000 2.332 166 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 166 V C 2.999 179.136 176.094 0.072 0.000 1.055 166 V CA 2.070 64.398 62.300 0.046 0.000 1.038 166 V CB -1.173 30.674 31.823 0.039 0.000 0.651 166 V HN 0.660 nan 8.190 nan 0.000 0.450 167 S N -0.676 115.062 115.700 0.064 0.000 2.382 167 S HA -0.126 4.344 4.470 -0.000 0.000 0.228 167 S C 1.929 176.560 174.600 0.052 0.000 1.027 167 S CA 1.451 59.696 58.200 0.076 0.000 0.991 167 S CB -0.318 62.917 63.200 0.059 0.000 0.823 167 S HN 0.501 nan 8.310 nan 0.000 0.469 168 L N 0.759 122.004 121.223 0.036 0.000 2.083 168 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 168 L C 2.654 179.546 176.870 0.036 0.000 1.083 168 L CA 1.628 56.486 54.840 0.029 0.000 0.752 168 L CB -0.863 41.208 42.059 0.021 0.000 0.899 168 L HN 0.348 nan 8.230 nan 0.000 0.433 169 T N -1.214 113.367 114.554 0.044 0.000 2.867 169 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 169 T C 1.645 176.380 174.700 0.057 0.000 1.057 169 T CA 1.221 63.350 62.100 0.048 0.000 1.136 169 T CB -0.103 68.797 68.868 0.052 0.000 0.874 169 T HN 0.420 nan 8.240 nan 0.000 0.466 170 E N 0.865 121.107 120.200 0.069 0.000 2.250 170 E HA 0.206 4.556 4.350 -0.000 0.000 0.192 170 E C 2.565 179.198 176.600 0.056 0.000 0.986 170 E CA 0.470 56.913 56.400 0.072 0.000 0.849 170 E CB -0.147 29.609 29.700 0.094 0.000 0.797 170 E HN 0.437 nan 8.360 nan 0.000 0.482 171 A N 1.515 124.363 122.820 0.047 0.000 1.859 171 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 171 A C 2.455 180.069 177.584 0.049 0.000 1.198 171 A CA 2.029 54.088 52.037 0.038 0.000 0.629 171 A CB -1.482 17.533 19.000 0.025 0.000 0.830 171 A HN 0.372 nan 8.150 nan 0.000 0.446 172 G N -1.290 107.538 108.800 0.047 0.000 2.442 172 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 172 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 172 G C 1.611 176.554 174.900 0.073 0.000 1.141 172 G CA 1.103 46.235 45.100 0.053 0.000 0.763 172 G HN 0.673 nan 8.290 nan 0.000 0.554 173 Q N -0.382 119.460 119.800 0.071 0.000 2.050 173 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 173 Q C 2.883 178.949 176.000 0.109 0.000 0.980 173 Q CA 1.393 57.244 55.803 0.079 0.000 0.840 173 Q CB -0.247 28.532 28.738 0.067 0.000 0.898 173 Q HN 0.381 nan 8.270 nan 0.000 0.424 174 V N 0.957 120.938 119.914 0.111 0.000 2.295 174 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 174 V C 2.245 178.513 176.094 0.290 0.000 1.049 174 V CA 1.822 64.217 62.300 0.159 0.000 1.024 174 V CB -0.967 30.925 31.823 0.116 0.000 0.648 174 V HN 0.413 nan 8.190 nan 0.000 0.447 175 A N -0.300 122.668 122.820 0.247 0.000 2.019 175 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 175 A C 2.185 180.006 177.584 0.395 0.000 1.164 175 A CA 1.979 54.219 52.037 0.339 0.000 0.644 175 A CB -0.470 18.633 19.000 0.172 0.000 0.805 175 A HN 0.612 nan 8.150 nan 0.000 0.449 176 A N -1.639 121.327 122.820 0.243 0.000 2.267 176 A HA 0.602 4.922 4.320 -0.000 0.000 0.213 176 A C 1.862 179.549 177.584 0.172 0.000 1.192 176 A CA 1.014 53.159 52.037 0.180 0.000 0.851 176 A CB -0.222 18.839 19.000 0.102 0.000 0.881 176 A HN 0.888 nan 8.150 nan 0.000 0.494 177 A N -1.980 120.960 122.820 0.201 0.000 2.288 177 A HA 0.477 4.797 4.320 -0.000 0.000 0.216 177 A C 0.197 177.878 177.584 0.162 0.000 1.199 177 A CA 0.153 52.278 52.037 0.148 0.000 0.891 177 A CB -0.008 19.064 19.000 0.121 0.000 0.923 177 A HN 0.457 nan 8.150 nan 0.000 0.500 178 Y N 0.052 120.372 120.300 0.033 0.000 2.425 178 Y HA 0.512 5.062 4.550 0.000 0.000 0.344 178 Y C -1.264 174.499 175.900 -0.228 0.000 0.969 178 Y CA -1.687 56.292 58.100 -0.202 0.000 1.052 178 Y CB 1.459 39.634 38.460 -0.474 0.000 1.215 178 Y HN 0.082 nan 8.280 nan 0.000 0.451 179 D N 4.962 124.865 120.400 -0.829 0.000 2.393 179 D HA 0.097 4.737 4.640 -0.000 0.000 0.232 179 D C -0.272 175.575 176.300 -0.755 0.000 1.192 179 D CA 0.243 53.958 54.000 -0.476 0.000 0.882 179 D CB -0.057 40.535 40.800 -0.346 0.000 1.038 179 D HN 0.536 nan 8.370 nan 0.000 0.499 180 F N 1.452 120.956 119.950 -0.744 0.000 2.773 180 F HA 0.045 4.572 4.527 0.000 0.000 0.304 180 F C 2.401 177.813 175.800 -0.646 0.000 1.129 180 F CA -0.227 57.215 58.000 -0.930 0.000 1.378 180 F CB 0.150 38.224 39.000 -1.543 0.000 1.095 180 F HN 0.261 nan 8.300 nan 0.000 0.565 181 S N 0.365 116.003 115.700 -0.103 0.000 2.374 181 S HA -0.208 4.262 4.470 -0.000 0.000 0.227 181 S C 2.393 177.017 174.600 0.040 0.000 1.037 181 S CA 1.573 59.858 58.200 0.142 0.000 1.024 181 S CB -0.798 62.505 63.200 0.172 0.000 0.861 181 S HN 0.537 nan 8.310 nan 0.000 0.456 182 G N 0.343 109.126 108.800 -0.028 0.000 2.848 182 G HA2 0.418 4.378 3.960 -0.000 0.000 0.208 182 G HA3 0.418 4.378 3.960 -0.000 0.000 0.208 182 G C 0.114 175.008 174.900 -0.010 0.000 1.152 182 G CA 0.428 45.517 45.100 -0.019 0.000 0.789 182 G HN 0.604 nan 8.290 nan 0.000 0.531 183 A N -0.712 122.104 122.820 -0.008 0.000 2.324 183 A HA 0.792 5.112 4.320 -0.000 0.000 0.330 183 A C 0.934 178.520 177.584 0.004 0.000 1.165 183 A CA 0.166 52.204 52.037 0.002 0.000 0.813 183 A CB 1.693 20.709 19.000 0.027 0.000 1.197 183 A HN 0.501 nan 8.150 nan 0.000 0.484 184 A N 1.281 124.097 122.820 -0.006 0.000 2.035 184 A HA 0.436 4.756 4.320 -0.000 0.000 0.208 184 A C 1.081 178.648 177.584 -0.027 0.000 1.206 184 A CA 1.491 53.524 52.037 -0.007 0.000 0.773 184 A CB -0.144 18.853 19.000 -0.005 0.000 0.878 184 A HN 1.316 nan 8.150 nan 0.000 0.469 185 T N -2.652 111.872 114.554 -0.050 0.000 2.893 185 T HA 0.763 5.113 4.350 -0.000 0.000 0.291 185 T C -0.659 173.959 174.700 -0.136 0.000 1.028 185 T CA -0.090 61.958 62.100 -0.087 0.000 0.995 185 T CB 1.765 70.577 68.868 -0.094 0.000 1.051 185 T HN 1.007 nan 8.240 nan 0.000 0.470 186 A N 1.714 124.437 122.820 -0.161 0.000 2.449 186 A HA 0.795 5.115 4.320 -0.000 0.000 0.302 186 A C -1.095 176.351 177.584 -0.231 0.000 1.048 186 A CA -0.848 51.068 52.037 -0.202 0.000 0.708 186 A CB 1.905 20.814 19.000 -0.153 0.000 1.274 186 A HN 0.940 nan 8.150 nan 0.000 0.410 187 V N 2.196 121.929 119.914 -0.302 0.000 2.483 187 V HA 0.347 4.467 4.120 -0.000 0.000 0.297 187 V C -1.063 174.988 176.094 -0.073 0.000 1.027 187 V CA -0.577 61.609 62.300 -0.190 0.000 0.855 187 V CB 1.755 33.437 31.823 -0.235 0.000 0.995 187 V HN 0.913 nan 8.190 nan 0.000 0.424 188 D N 4.667 125.047 120.400 -0.034 0.000 2.347 188 D HA 0.396 5.036 4.640 -0.000 0.000 0.235 188 D C -0.248 176.076 176.300 0.040 0.000 1.149 188 D CA -0.149 53.848 54.000 -0.004 0.000 0.850 188 D CB 1.019 41.810 40.800 -0.016 0.000 1.061 188 D HN 0.442 nan 8.370 nan 0.000 0.487 189 I N 2.842 123.442 120.570 0.050 0.000 2.322 189 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 189 I C 1.378 177.566 176.117 0.119 0.000 1.060 189 I CA -0.355 60.992 61.300 0.079 0.000 1.309 189 I CB 1.156 39.155 38.000 -0.002 0.000 1.415 189 I HN 0.634 nan 8.210 nan 0.000 0.492 190 G N 4.450 113.388 108.800 0.229 0.000 2.298 190 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.287 190 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.287 190 G C 0.820 175.821 174.900 0.169 0.000 1.075 190 G CA 0.164 45.428 45.100 0.275 0.000 0.960 190 G HN 1.004 nan 8.290 nan 0.000 0.502 191 G N -0.460 108.406 108.800 0.109 0.000 3.061 191 G HA2 0.500 4.460 3.960 -0.000 0.000 0.208 191 G HA3 0.500 4.460 3.960 -0.000 0.000 0.208 191 G C 1.732 176.676 174.900 0.074 0.000 1.175 191 G CA 1.351 46.495 45.100 0.073 0.000 0.812 191 G HN 2.052 nan 8.290 nan 0.000 0.523 192 G N 0.830 109.691 108.800 0.102 0.000 2.622 192 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.307 192 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.307 192 G C 0.994 175.925 174.900 0.052 0.000 1.226 192 G CA 0.434 45.586 45.100 0.086 0.000 0.997 192 G HN 0.496 nan 8.290 nan 0.000 0.551 193 R N 1.822 122.339 120.500 0.028 0.000 2.334 193 R HA 0.384 4.724 4.340 -0.000 0.000 0.220 193 R C 1.859 178.167 176.300 0.014 0.000 0.917 193 R CA 1.018 57.129 56.100 0.018 0.000 1.073 193 R CB -0.064 30.238 30.300 0.004 0.000 1.056 193 R HN 1.919 nan 8.270 nan 0.000 0.506 194 G N 0.724 109.534 108.800 0.016 0.000 2.157 194 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.248 194 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.248 194 G C 0.964 175.864 174.900 -0.000 0.000 0.979 194 G CA 0.606 45.710 45.100 0.006 0.000 0.650 194 G HN 0.451 nan 8.290 nan 0.000 0.529 195 S N -0.966 114.737 115.700 0.005 0.000 2.382 195 S HA 0.209 4.679 4.470 -0.000 0.000 0.228 195 S C 1.614 176.213 174.600 -0.002 0.000 1.027 195 S CA 1.293 59.495 58.200 0.004 0.000 0.991 195 S CB 0.033 63.240 63.200 0.011 0.000 0.823 195 S HN 1.389 nan 8.310 nan 0.000 0.469 199 A N 0.196 123.001 122.820 -0.025 0.000 1.969 199 A HA 0.205 4.525 4.320 -0.000 0.000 0.218 199 A C 1.995 179.569 177.584 -0.016 0.000 1.169 199 A CA 2.140 54.170 52.037 -0.012 0.000 0.635 199 A CB -0.652 18.351 19.000 0.005 0.000 0.810 199 A HN 0.829 nan 8.150 nan 0.000 0.445 200 V N -0.004 119.865 119.914 -0.075 0.000 2.407 200 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 200 V C 2.503 178.578 176.094 -0.032 0.000 1.041 200 V CA 1.608 63.819 62.300 -0.149 0.000 1.040 200 V CB -0.669 30.852 31.823 -0.504 0.000 0.671 200 V HN 0.559 nan 8.190 nan 0.000 0.455 201 L N -0.217 120.972 121.223 -0.057 0.000 2.083 201 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 201 L C 2.356 179.233 176.870 0.012 0.000 1.083 201 L CA 1.496 56.328 54.840 -0.013 0.000 0.752 201 L CB -0.740 41.300 42.059 -0.031 0.000 0.899 201 L HN 0.329 nan 8.230 nan 0.000 0.433 202 D N 0.421 120.817 120.400 -0.006 0.000 2.104 202 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 202 D C 2.121 178.391 176.300 -0.051 0.000 0.994 202 D CA 1.650 55.637 54.000 -0.021 0.000 0.830 202 D CB 0.001 40.788 40.800 -0.023 0.000 0.959 202 D HN 0.303 nan 8.370 nan 0.000 0.452 203 A N -0.970 121.814 122.820 -0.061 0.000 2.208 203 A HA 0.073 4.393 4.320 -0.000 0.000 0.209 203 A C 0.174 177.410 177.584 -0.579 0.000 1.161 203 A CA 0.240 52.119 52.037 -0.264 0.000 0.782 203 A CB -0.143 18.719 19.000 -0.230 0.000 0.816 203 A HN 0.133 nan 8.150 nan 0.000 0.477 204 F N -1.307 118.628 119.950 -0.026 0.000 2.931 204 F HA 0.339 4.866 4.527 -0.000 0.000 0.375 204 F C -2.118 173.670 175.800 -0.020 0.000 1.243 204 F CA -1.772 56.224 58.000 -0.008 0.000 1.206 204 F CB 1.577 40.581 39.000 0.006 0.000 1.643 204 F HN -0.040 nan 8.300 nan 0.000 0.593 205 P HA -0.159 nan 4.420 nan 0.000 0.216 205 P C 1.807 179.140 177.300 0.055 0.000 1.150 205 P CA 1.527 64.653 63.100 0.043 0.000 0.843 205 P CB 0.298 32.006 31.700 0.014 0.000 0.787 206 G N -1.295 107.554 108.800 0.081 0.000 2.572 206 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.216 206 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.216 206 G C 0.440 175.370 174.900 0.050 0.000 1.133 206 G CA -0.109 45.027 45.100 0.060 0.000 0.791 206 G HN 0.212 nan 8.290 nan 0.000 0.538 207 L N 1.117 122.380 121.223 0.067 0.000 2.426 207 L HA 0.419 4.759 4.340 -0.000 0.000 0.271 207 L C 0.221 177.088 176.870 -0.005 0.000 1.169 207 L CA -0.327 54.528 54.840 0.024 0.000 0.836 207 L CB 0.642 42.710 42.059 0.015 0.000 1.112 207 L HN 0.019 nan 8.230 nan 0.000 0.465 208 R N 3.253 123.738 120.500 -0.026 0.000 2.562 208 R HA 0.686 5.026 4.340 -0.000 0.000 0.298 208 R C -0.456 175.810 176.300 -0.058 0.000 0.961 208 R CA -0.656 55.424 56.100 -0.034 0.000 0.881 208 R CB 1.767 32.051 30.300 -0.027 0.000 1.159 208 R HN 0.883 nan 8.270 nan 0.000 0.450 209 G N 0.574 109.340 108.800 -0.056 0.000 2.453 209 G HA2 0.514 4.473 3.960 -0.000 0.000 0.323 209 G HA3 0.514 4.473 3.960 -0.000 0.000 0.323 209 G C -0.926 173.940 174.900 -0.057 0.000 1.198 209 G CA -0.279 44.779 45.100 -0.071 0.000 0.959 209 G HN 0.364 nan 8.290 nan 0.000 0.482 210 T N 0.847 115.363 114.554 -0.064 0.000 2.848 210 T HA 0.461 4.811 4.350 -0.000 0.000 0.285 210 T C -0.723 173.960 174.700 -0.028 0.000 0.995 210 T CA -0.306 61.770 62.100 -0.040 0.000 0.970 210 T CB 1.641 70.487 68.868 -0.037 0.000 0.976 210 T HN 0.424 nan 8.240 nan 0.000 0.441 211 L N 4.358 125.574 121.223 -0.011 0.000 2.298 211 L HA 0.648 4.988 4.340 -0.000 0.000 0.284 211 L C -0.922 175.959 176.870 0.020 0.000 1.013 211 L CA -0.854 53.989 54.840 0.004 0.000 0.824 211 L CB 0.743 42.804 42.059 0.004 0.000 1.221 211 L HN 0.590 nan 8.230 nan 0.000 0.418 212 L N 5.269 126.515 121.223 0.038 0.000 2.264 212 L HA 0.574 4.914 4.340 -0.000 0.000 0.289 212 L C -0.703 176.199 176.870 0.054 0.000 1.044 212 L CA 0.029 54.897 54.840 0.048 0.000 0.807 212 L CB 0.639 42.744 42.059 0.077 0.000 1.192 212 L HN 0.656 nan 8.230 nan 0.000 0.425 213 E N 3.819 124.032 120.200 0.021 0.000 2.445 213 E HA 0.354 4.704 4.350 -0.000 0.000 0.279 213 E C -1.149 175.431 176.600 -0.034 0.000 1.018 213 E CA -0.865 55.540 56.400 0.008 0.000 0.816 213 E CB 1.968 31.691 29.700 0.038 0.000 1.356 213 E HN 0.591 nan 8.360 nan 0.000 0.462 214 R N 1.404 121.870 120.500 -0.056 0.000 2.640 214 R HA 0.028 4.368 4.340 -0.000 0.000 0.270 214 R C -1.575 174.732 176.300 0.012 0.000 1.024 214 R CA -0.918 55.154 56.100 -0.045 0.000 1.085 214 R CB -0.149 30.132 30.300 -0.031 0.000 0.963 214 R HN 0.173 nan 8.270 nan 0.000 0.426 215 P HA -0.173 nan 4.420 nan 0.000 0.214 215 P C -1.468 175.861 177.300 0.047 0.000 1.169 215 P CA 1.708 64.829 63.100 0.035 0.000 0.908 215 P CB -0.661 31.067 31.700 0.047 0.000 0.791 216 P HA -0.109 nan 4.420 nan 0.000 0.215 216 P C 1.572 178.907 177.300 0.058 0.000 1.153 216 P CA 1.162 64.297 63.100 0.059 0.000 0.853 216 P CB -0.542 31.198 31.700 0.066 0.000 0.788 217 V N 0.190 120.148 119.914 0.072 0.000 2.358 217 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 217 V C 2.520 178.644 176.094 0.051 0.000 1.047 217 V CA 2.016 64.360 62.300 0.074 0.000 1.035 217 V CB -1.874 30.008 31.823 0.099 0.000 0.658 217 V HN 0.094 nan 8.190 nan 0.000 0.452 218 A N 0.045 122.889 122.820 0.040 0.000 1.917 218 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 218 A C 2.188 179.787 177.584 0.025 0.000 1.182 218 A CA 1.864 53.918 52.037 0.029 0.000 0.633 218 A CB -0.428 18.584 19.000 0.020 0.000 0.819 218 A HN 0.537 nan 8.150 nan 0.000 0.448 219 E N 0.238 120.454 120.200 0.026 0.000 2.106 219 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 219 E C 1.852 178.465 176.600 0.022 0.000 0.984 219 E CA 1.355 57.768 56.400 0.022 0.000 0.806 219 E CB -0.457 29.256 29.700 0.022 0.000 0.750 219 E HN 0.823 nan 8.360 nan 0.000 0.458 220 E N 1.046 121.262 120.200 0.027 0.000 2.106 220 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 220 E C 2.081 178.693 176.600 0.020 0.000 0.984 220 E CA 0.905 57.320 56.400 0.025 0.000 0.806 220 E CB -0.129 29.589 29.700 0.031 0.000 0.750 220 E HN 0.191 nan 8.360 nan 0.000 0.458 221 A N 1.988 124.821 122.820 0.022 0.000 1.877 221 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 221 A C 2.165 179.756 177.584 0.011 0.000 1.186 221 A CA 1.528 53.575 52.037 0.017 0.000 0.620 221 A CB -0.516 18.495 19.000 0.020 0.000 0.822 221 A HN 0.086 nan 8.150 nan 0.000 0.443 222 R N -0.288 120.219 120.500 0.012 0.000 2.103 222 R HA -0.223 4.117 4.340 -0.000 0.000 0.242 222 R C 2.235 178.539 176.300 0.007 0.000 1.142 222 R CA 1.992 58.097 56.100 0.008 0.000 0.960 222 R CB -0.303 30.003 30.300 0.009 0.000 0.858 222 R HN 0.758 nan 8.270 nan 0.000 0.439 223 E N 0.233 120.439 120.200 0.010 0.000 2.051 223 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 223 E C 2.061 178.666 176.600 0.007 0.000 0.991 223 E CA 1.059 57.465 56.400 0.009 0.000 0.799 223 E CB -0.101 29.606 29.700 0.012 0.000 0.748 223 E HN 0.304 nan 8.360 nan 0.000 0.449 224 L N 0.995 122.222 121.223 0.007 0.000 2.017 224 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 224 L C 2.274 179.145 176.870 0.002 0.000 1.073 224 L CA 1.606 56.449 54.840 0.005 0.000 0.745 224 L CB -0.712 41.350 42.059 0.005 0.000 0.894 224 L HN 0.317 nan 8.230 nan 0.000 0.432 225 L N -0.525 120.698 121.223 0.001 0.000 2.141 225 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 225 L C 2.467 179.336 176.870 -0.002 0.000 1.094 225 L CA 1.414 56.253 54.840 -0.003 0.000 0.763 225 L CB -0.675 41.381 42.059 -0.005 0.000 0.908 225 L HN 0.256 nan 8.230 nan 0.000 0.437 226 T N -0.522 114.032 114.554 0.000 0.000 2.708 226 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 226 T C 1.857 176.558 174.700 0.001 0.000 1.037 226 T CA 1.393 63.493 62.100 0.001 0.000 1.146 226 T CB -0.611 68.259 68.868 0.002 0.000 0.865 226 T HN 0.539 nan 8.240 nan 0.000 0.435 227 G N 1.352 110.153 108.800 0.002 0.000 2.448 227 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 227 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 227 G C 1.646 176.546 174.900 0.000 0.000 1.127 227 G CA 0.209 45.310 45.100 0.002 0.000 0.766 227 G HN 0.309 nan 8.290 nan 0.000 0.552 228 R N 0.023 120.522 120.500 -0.001 0.000 2.310 228 R HA 0.129 4.469 4.340 -0.000 0.000 0.202 228 R C 1.664 177.961 176.300 -0.004 0.000 0.933 228 R CA 0.616 56.715 56.100 -0.003 0.000 1.054 228 R CB -0.082 30.215 30.300 -0.004 0.000 0.985 228 R HN 0.415 nan 8.270 nan 0.000 0.489 229 G N 1.129 109.927 108.800 -0.003 0.000 2.137 229 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.237 229 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.237 229 G C 0.410 175.307 174.900 -0.005 0.000 1.002 229 G CA 0.022 45.119 45.100 -0.004 0.000 0.702 229 G HN 0.344 nan 8.290 nan 0.000 0.515 230 L N -0.464 120.756 121.223 -0.006 0.000 2.857 230 L HA 0.456 4.796 4.340 -0.000 0.000 0.249 230 L C 2.544 179.409 176.870 -0.008 0.000 1.172 230 L CA 0.525 55.360 54.840 -0.008 0.000 0.980 230 L CB 0.125 42.177 42.059 -0.011 0.000 1.299 230 L HN 0.276 nan 8.230 nan 0.000 0.535 231 A N 0.175 122.992 122.820 -0.005 0.000 1.940 231 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 231 A C 1.732 179.313 177.584 -0.005 0.000 1.176 231 A CA 1.928 53.962 52.037 -0.004 0.000 0.631 231 A CB -0.220 18.779 19.000 -0.002 0.000 0.814 231 A HN 0.319 nan 8.150 nan 0.000 0.446 232 D N -1.197 119.201 120.400 -0.005 0.000 2.347 232 D HA 0.032 4.672 4.640 -0.000 0.000 0.213 232 D C 1.860 178.156 176.300 -0.007 0.000 0.985 232 D CA 0.494 54.491 54.000 -0.005 0.000 0.879 232 D CB -0.072 40.726 40.800 -0.003 0.000 0.919 232 D HN 0.476 nan 8.370 nan 0.000 0.526 233 R N -0.954 119.541 120.500 -0.009 0.000 2.308 233 R HA 0.211 4.551 4.340 -0.000 0.000 0.202 233 R C 0.106 176.395 176.300 -0.018 0.000 0.898 233 R CA 0.004 56.097 56.100 -0.012 0.000 1.046 233 R CB 0.799 31.093 30.300 -0.011 0.000 1.026 233 R HN -0.009 nan 8.270 nan 0.000 0.512 234 C N 1.628 120.917 119.300 -0.017 0.000 2.397 234 C HA 0.289 4.749 4.460 -0.000 0.000 0.325 234 C C -0.333 174.648 174.990 -0.015 0.000 1.201 234 C CA -0.829 58.176 59.018 -0.021 0.000 1.377 234 C CB 1.129 28.855 27.740 -0.023 0.000 2.038 234 C HN 0.381 nan 8.230 nan 0.000 0.457 235 E N 4.981 125.171 120.200 -0.016 0.000 2.313 235 E HA 0.367 4.717 4.350 -0.000 0.000 0.276 235 E C -0.613 175.983 176.600 -0.007 0.000 1.031 235 E CA -0.395 55.998 56.400 -0.010 0.000 0.857 235 E CB 0.673 30.366 29.700 -0.011 0.000 1.040 235 E HN 0.619 nan 8.360 nan 0.000 0.408 236 I N 5.631 126.199 120.570 -0.002 0.000 2.315 236 I HA 0.175 4.345 4.170 -0.000 0.000 0.291 236 I C -0.329 175.790 176.117 0.004 0.000 1.006 236 I CA -0.678 60.623 61.300 0.002 0.000 1.265 236 I CB 0.746 38.749 38.000 0.005 0.000 1.387 236 I HN 0.493 nan 8.210 nan 0.000 0.475 237 L N 10.227 131.454 121.223 0.007 0.000 2.337 237 L HA 0.580 4.920 4.340 -0.000 0.000 0.269 237 L C -2.533 174.340 176.870 0.005 0.000 1.018 237 L CA -1.768 53.076 54.840 0.007 0.000 0.876 237 L CB 1.269 43.335 42.059 0.011 0.000 1.236 237 L HN 0.220 nan 8.230 nan 0.000 0.436 238 P HA 0.475 nan 4.420 nan 0.000 0.271 238 P C -0.179 177.110 177.300 -0.018 0.000 1.226 238 P CA 0.012 63.109 63.100 -0.005 0.000 0.765 238 P CB 1.047 32.747 31.700 0.001 0.000 0.835 239 G N 1.557 110.333 108.800 -0.040 0.000 2.548 239 G HA2 0.455 4.415 3.960 -0.000 0.000 0.301 239 G HA3 0.455 4.415 3.960 -0.000 0.000 0.301 239 G C -2.080 172.743 174.900 -0.127 0.000 1.349 239 G CA -0.373 44.692 45.100 -0.058 0.000 0.792 239 G HN 0.406 nan 8.290 nan 0.000 0.481 240 D N -0.424 119.897 120.400 -0.132 0.000 2.549 240 D HA 0.417 5.057 4.640 -0.000 0.000 0.251 240 D C 0.836 177.035 176.300 -0.170 0.000 1.153 240 D CA -0.982 52.881 54.000 -0.228 0.000 0.861 240 D CB 1.058 41.782 40.800 -0.128 0.000 1.207 240 D HN 0.229 nan 8.370 nan 0.000 0.543 241 F N 2.219 122.068 119.950 -0.168 0.000 2.771 241 F HA 0.233 4.760 4.527 0.000 0.000 0.299 241 F C 0.821 176.374 175.800 -0.412 0.000 1.177 241 F CA -0.479 57.353 58.000 -0.278 0.000 1.450 241 F CB -1.082 37.723 39.000 -0.326 0.000 1.114 241 F HN 0.132 nan 8.300 nan 0.000 0.587 242 F N 0.718 120.701 119.950 0.055 0.000 2.789 242 F HA 0.132 4.659 4.527 -0.000 0.000 0.300 242 F C 1.885 177.659 175.800 -0.044 0.000 1.132 242 F CA 0.452 58.437 58.000 -0.026 0.000 1.404 242 F CB -0.031 38.903 39.000 -0.109 0.000 1.114 242 F HN -0.005 nan 8.300 nan 0.000 0.584 243 E N -1.169 119.087 120.200 0.092 0.000 2.476 243 E HA 0.168 4.518 4.350 -0.000 0.000 0.193 243 E C 0.272 176.882 176.600 0.016 0.000 0.966 243 E CA 0.603 57.029 56.400 0.042 0.000 1.114 243 E CB -0.140 29.571 29.700 0.019 0.000 1.151 243 E HN -0.064 nan 8.360 nan 0.000 0.487 244 T N 3.113 117.673 114.554 0.010 0.000 2.772 244 T HA 0.478 4.828 4.350 -0.000 0.000 0.288 244 T C -0.178 174.534 174.700 0.020 0.000 0.994 244 T CA -0.319 61.787 62.100 0.009 0.000 0.951 244 T CB 0.848 69.719 68.868 0.005 0.000 0.933 244 T HN -0.041 nan 8.240 nan 0.000 0.447 245 I N 5.199 125.777 120.570 0.012 0.000 2.439 245 I HA 0.338 4.508 4.170 -0.000 0.000 0.285 245 I C -2.347 173.807 176.117 0.062 0.000 1.021 245 I CA -3.063 58.255 61.300 0.030 0.000 1.091 245 I CB 1.495 39.469 38.000 -0.044 0.000 1.242 245 I HN 0.315 nan 8.210 nan 0.000 0.439 246 P HA 0.035 nan 4.420 nan 0.000 0.260 246 P C -0.627 176.789 177.300 0.192 0.000 1.185 246 P CA 0.137 63.309 63.100 0.119 0.000 0.763 246 P CB 0.266 32.029 31.700 0.105 0.000 0.776 247 D N 1.672 122.146 120.400 0.123 0.000 2.253 247 D HA 0.409 5.049 4.640 -0.000 0.000 0.249 247 D C 1.090 177.479 176.300 0.149 0.000 1.049 247 D CA -0.506 53.578 54.000 0.139 0.000 0.929 247 D CB 0.768 41.601 40.800 0.055 0.000 1.176 247 D HN 0.577 nan 8.370 nan 0.000 0.437 248 G N -0.394 108.516 108.800 0.183 0.000 2.157 248 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.239 248 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.239 248 G C 0.428 175.374 174.900 0.076 0.000 0.982 248 G CA 0.250 45.418 45.100 0.113 0.000 0.650 248 G HN 1.010 nan 8.290 nan 0.000 0.527 249 A N -0.004 122.849 122.820 0.055 0.000 2.386 249 A HA 0.577 4.897 4.320 -0.000 0.000 0.248 249 A C 1.239 178.751 177.584 -0.119 0.000 1.082 249 A CA 0.786 52.699 52.037 -0.206 0.000 0.789 249 A CB 0.379 18.953 19.000 -0.710 0.000 1.025 249 A HN 0.122 nan 8.150 nan 0.000 0.490 250 D N -0.389 119.938 120.400 -0.120 0.000 2.103 250 D HA 0.007 4.647 4.640 -0.000 0.000 0.199 250 D C 0.446 176.729 176.300 -0.030 0.000 0.978 250 D CA 1.684 55.661 54.000 -0.039 0.000 0.829 250 D CB 0.110 40.895 40.800 -0.025 0.000 0.981 250 D HN 0.272 nan 8.370 nan 0.000 0.464 251 V N 0.393 120.234 119.914 -0.122 0.000 2.588 251 V HA 0.336 4.456 4.120 -0.000 0.000 0.304 251 V C -1.683 174.271 176.094 -0.233 0.000 1.042 251 V CA -0.778 61.485 62.300 -0.063 0.000 0.877 251 V CB 1.251 33.107 31.823 0.055 0.000 0.996 251 V HN -0.060 nan 8.190 nan 0.000 0.425 252 Y N 6.111 126.386 120.300 -0.043 0.000 2.360 252 Y HA 0.742 5.292 4.550 -0.000 0.000 0.337 252 Y C -0.165 175.684 175.900 -0.084 0.000 1.039 252 Y CA -0.680 57.384 58.100 -0.060 0.000 1.109 252 Y CB 1.877 40.292 38.460 -0.074 0.000 1.201 252 Y HN 0.492 nan 8.280 nan 0.000 0.458 253 L N 4.470 125.719 121.223 0.044 0.000 2.362 253 L HA 0.606 4.946 4.340 -0.000 0.000 0.271 253 L C -0.873 175.974 176.870 -0.038 0.000 1.002 253 L CA -0.552 54.275 54.840 -0.023 0.000 0.818 253 L CB 2.137 44.178 42.059 -0.029 0.000 1.298 253 L HN 0.610 nan 8.230 nan 0.000 0.420 254 I N 2.594 123.109 120.570 -0.091 0.000 2.588 254 I HA 0.308 4.478 4.170 -0.000 0.000 0.278 254 I C -1.232 174.800 176.117 -0.143 0.000 1.144 254 I CA -0.372 60.862 61.300 -0.110 0.000 1.074 254 I CB 0.763 38.669 38.000 -0.155 0.000 1.235 254 I HN 0.612 nan 8.210 nan 0.000 0.472 255 K N 6.367 126.698 120.400 -0.116 0.000 2.307 255 K HA 0.404 4.723 4.320 -0.000 0.000 0.263 255 K C -0.144 176.385 176.600 -0.118 0.000 0.973 255 K CA -0.291 55.872 56.287 -0.207 0.000 0.846 255 K CB 0.498 32.881 32.500 -0.195 0.000 1.100 255 K HN 0.625 nan 8.250 nan 0.000 0.438 256 H N 1.372 120.353 119.070 -0.150 0.000 2.741 256 H HA -0.152 4.404 4.556 -0.000 0.000 0.305 256 H C 0.384 175.687 175.328 -0.042 0.000 1.169 256 H CA 0.821 56.699 56.048 -0.283 0.000 1.144 256 H CB -1.747 28.005 29.762 -0.017 0.000 1.397 256 H HN 0.387 nan 8.280 nan 0.000 0.409 257 V N -0.533 119.436 119.914 0.093 0.000 2.854 257 V HA -0.010 4.110 4.120 -0.000 0.000 0.236 257 V C 2.576 178.894 176.094 0.373 0.000 1.157 257 V CA 0.757 63.215 62.300 0.264 0.000 1.187 257 V CB -0.049 31.836 31.823 0.103 0.000 0.949 257 V HN 0.242 nan 8.190 nan 0.000 0.488 258 L N 1.293 122.656 121.223 0.233 0.000 2.131 258 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 258 L C 2.510 179.671 176.870 0.484 0.000 1.092 258 L CA 2.214 57.275 54.840 0.368 0.000 0.759 258 L CB -0.875 41.371 42.059 0.312 0.000 0.903 258 L HN 0.694 nan 8.230 nan 0.000 0.435 259 H N -2.296 116.973 119.070 0.332 0.000 2.561 259 H HA -0.078 4.478 4.556 -0.000 0.000 0.278 259 H C 0.912 176.313 175.328 0.121 0.000 1.014 259 H CA 0.398 56.582 56.048 0.226 0.000 1.211 259 H CB -0.101 29.798 29.762 0.228 0.000 1.365 259 H HN 0.299 nan 8.280 nan 0.000 0.594 260 D N 0.308 120.935 120.400 0.378 0.000 2.347 260 D HA -0.018 4.622 4.640 -0.000 0.000 0.215 260 D C -0.369 175.715 176.300 -0.359 0.000 0.976 260 D CA 0.548 54.502 54.000 -0.077 0.000 0.884 260 D CB 0.056 40.800 40.800 -0.093 0.000 0.915 260 D HN 0.465 nan 8.370 nan 0.000 0.526 261 W N 1.442 122.890 121.300 0.246 0.000 2.761 261 W HA 0.233 4.893 4.660 -0.000 0.000 0.340 261 W C 0.209 176.809 176.519 0.135 0.000 1.072 261 W CA -1.231 56.245 57.345 0.218 0.000 1.215 261 W CB 0.866 30.473 29.460 0.245 0.000 1.420 261 W HN -0.253 nan 8.180 nan 0.000 0.519 262 D N -0.130 120.491 120.400 0.369 0.000 2.414 262 D HA 0.016 4.656 4.640 -0.000 0.000 0.251 262 D C 0.744 177.158 176.300 0.190 0.000 1.252 262 D CA 0.011 54.134 54.000 0.205 0.000 0.999 262 D CB 0.572 41.463 40.800 0.151 0.000 1.093 262 D HN 0.288 nan 8.370 nan 0.000 0.515 263 D N -0.504 119.960 120.400 0.106 0.000 2.092 263 D HA -0.152 4.488 4.640 -0.000 0.000 0.193 263 D C 1.361 177.716 176.300 0.091 0.000 0.994 263 D CA 1.306 55.352 54.000 0.076 0.000 0.828 263 D CB -0.310 40.511 40.800 0.036 0.000 0.963 263 D HN 0.433 nan 8.370 nan 0.000 0.450 264 D N 0.572 121.027 120.400 0.092 0.000 2.104 264 D HA -0.125 4.515 4.640 -0.000 0.000 0.194 264 D C 1.572 177.941 176.300 0.114 0.000 0.994 264 D CA 0.911 54.961 54.000 0.083 0.000 0.830 264 D CB -0.318 40.523 40.800 0.068 0.000 0.959 264 D HN 0.178 nan 8.370 nan 0.000 0.452 265 D N -0.131 120.378 120.400 0.182 0.000 2.178 265 D HA -0.071 4.569 4.640 -0.000 0.000 0.202 265 D C 2.228 178.622 176.300 0.156 0.000 0.974 265 D CA 0.241 54.390 54.000 0.248 0.000 0.841 265 D CB -0.027 41.033 40.800 0.433 0.000 0.953 265 D HN 0.057 nan 8.370 nan 0.000 0.478 266 V N 0.576 120.587 119.914 0.161 0.000 2.358 266 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 266 V C 2.638 178.740 176.094 0.013 0.000 1.047 266 V CA 0.915 63.261 62.300 0.078 0.000 1.035 266 V CB -0.290 31.622 31.823 0.148 0.000 0.658 266 V HN 0.053 nan 8.190 nan 0.000 0.452 267 V N -0.000 119.939 119.914 0.041 0.000 2.332 267 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 267 V C 2.586 178.678 176.094 -0.003 0.000 1.055 267 V CA 2.112 64.422 62.300 0.017 0.000 1.038 267 V CB -0.815 31.025 31.823 0.027 0.000 0.651 267 V HN 0.500 nan 8.190 nan 0.000 0.450 268 R N -0.229 120.289 120.500 0.030 0.000 2.083 268 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 268 R C 2.232 178.500 176.300 -0.053 0.000 1.137 268 R CA 1.910 58.039 56.100 0.048 0.000 0.951 268 R CB -0.511 29.906 30.300 0.194 0.000 0.851 268 R HN 0.445 nan 8.270 nan 0.000 0.434 269 I N 0.839 121.293 120.570 -0.193 0.000 2.252 269 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 269 I C 2.270 178.229 176.117 -0.262 0.000 1.102 269 I CA 1.199 62.266 61.300 -0.388 0.000 1.385 269 I CB -0.264 37.334 38.000 -0.670 0.000 1.064 269 I HN 0.129 nan 8.210 nan 0.000 0.414 270 L N 0.172 121.288 121.223 -0.178 0.000 2.046 270 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 270 L C 2.782 179.577 176.870 -0.125 0.000 1.077 270 L CA 1.388 56.144 54.840 -0.140 0.000 0.747 270 L CB -0.574 41.438 42.059 -0.077 0.000 0.896 270 L HN 0.171 nan 8.230 nan 0.000 0.432 271 R N -0.602 119.842 120.500 -0.093 0.000 2.081 271 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 271 R C 2.501 178.744 176.300 -0.096 0.000 1.131 271 R CA 0.912 56.967 56.100 -0.076 0.000 0.960 271 R CB -0.222 30.052 30.300 -0.044 0.000 0.856 271 R HN 0.253 nan 8.270 nan 0.000 0.436 272 R N 0.765 121.200 120.500 -0.108 0.000 2.083 272 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 272 R C 2.262 178.457 176.300 -0.175 0.000 1.137 272 R CA 1.464 57.494 56.100 -0.118 0.000 0.951 272 R CB -0.639 29.591 30.300 -0.117 0.000 0.851 272 R HN 0.304 nan 8.270 nan 0.000 0.434 273 I N 0.485 120.917 120.570 -0.229 0.000 2.252 273 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 273 I C 2.587 178.505 176.117 -0.332 0.000 1.102 273 I CA 1.234 62.327 61.300 -0.345 0.000 1.385 273 I CB -0.487 37.312 38.000 -0.336 0.000 1.064 273 I HN 0.092 nan 8.210 nan 0.000 0.414 274 A N 0.533 123.225 122.820 -0.213 0.000 1.883 274 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 274 A C 2.391 179.891 177.584 -0.140 0.000 1.186 274 A CA 2.540 54.481 52.037 -0.159 0.000 0.624 274 A CB -1.190 17.746 19.000 -0.106 0.000 0.822 274 A HN 0.381 nan 8.150 nan 0.000 0.444 275 T N 0.265 114.745 114.554 -0.124 0.000 2.803 275 T HA 0.146 4.496 4.350 -0.000 0.000 0.269 275 T C 1.204 175.845 174.700 -0.099 0.000 1.052 275 T CA 1.016 63.062 62.100 -0.091 0.000 1.136 275 T CB -0.469 68.356 68.868 -0.071 0.000 0.864 275 T HN 0.669 nan 8.240 nan 0.000 0.467 279 P HA -0.181 nan 4.420 nan 0.000 0.221 279 P C 0.162 177.467 177.300 0.008 0.000 1.145 279 P CA 1.457 64.559 63.100 0.004 0.000 0.795 279 P CB 0.059 31.760 31.700 0.001 0.000 0.775 280 D N -2.711 117.698 120.400 0.016 0.000 2.424 280 D HA 0.080 4.720 4.640 -0.000 0.000 0.220 280 D C 0.162 176.479 176.300 0.028 0.000 1.150 280 D CA -0.147 53.862 54.000 0.016 0.000 0.831 280 D CB -0.484 40.322 40.800 0.011 0.000 0.981 280 D HN -0.092 nan 8.370 nan 0.000 0.500 281 S N 0.290 116.017 115.700 0.045 0.000 2.608 281 S HA 0.433 4.903 4.470 -0.000 0.000 0.261 281 S C 0.340 174.976 174.600 0.061 0.000 1.314 281 S CA -0.501 57.745 58.200 0.078 0.000 0.992 281 S CB 1.034 64.326 63.200 0.154 0.000 0.935 281 S HN 0.118 nan 8.310 nan 0.000 0.564 282 R N 0.565 121.111 120.500 0.077 0.000 2.686 282 R HA 0.534 4.874 4.340 -0.000 0.000 0.286 282 R C -1.330 174.998 176.300 0.047 0.000 0.969 282 R CA -0.821 55.301 56.100 0.036 0.000 0.898 282 R CB 1.430 31.746 30.300 0.027 0.000 1.183 282 R HN 0.467 nan 8.270 nan 0.000 0.456 283 L N 3.038 124.251 121.223 -0.017 0.000 2.322 283 L HA 0.510 4.850 4.340 -0.000 0.000 0.281 283 L C -1.167 175.622 176.870 -0.134 0.000 1.014 283 L CA -0.302 54.516 54.840 -0.038 0.000 0.815 283 L CB 1.241 43.255 42.059 -0.074 0.000 1.247 283 L HN 0.495 nan 8.230 nan 0.000 0.421 284 L N 6.435 127.558 121.223 -0.167 0.000 2.277 284 L HA 0.451 4.791 4.340 -0.000 0.000 0.284 284 L C -0.607 176.131 176.870 -0.220 0.000 1.028 284 L CA -0.846 53.843 54.840 -0.252 0.000 0.835 284 L CB 1.468 43.321 42.059 -0.343 0.000 1.215 284 L HN 0.337 nan 8.230 nan 0.000 0.425 285 V N 5.506 125.264 119.914 -0.259 0.000 2.389 285 V HA 0.293 4.413 4.120 -0.000 0.000 0.264 285 V C 0.322 176.227 176.094 -0.316 0.000 1.049 285 V CA 0.017 62.127 62.300 -0.318 0.000 0.932 285 V CB 1.175 32.717 31.823 -0.467 0.000 1.011 285 V HN 0.500 nan 8.190 nan 0.000 0.475 286 I N 5.253 125.653 120.570 -0.283 0.000 2.354 286 I HA 0.589 4.759 4.170 -0.000 0.000 0.286 286 I C -0.353 175.556 176.117 -0.347 0.000 1.007 286 I CA 0.023 61.160 61.300 -0.272 0.000 1.167 286 I CB 1.280 39.136 38.000 -0.239 0.000 1.320 286 I HN 0.515 nan 8.210 nan 0.000 0.458 287 D N 3.636 123.889 120.400 -0.244 0.000 2.692 287 D HA 0.225 4.865 4.640 -0.000 0.000 0.290 287 D C -1.177 175.185 176.300 0.104 0.000 1.281 287 D CA -0.638 53.289 54.000 -0.121 0.000 0.804 287 D CB 1.846 42.617 40.800 -0.047 0.000 1.331 287 D HN 0.250 nan 8.370 nan 0.000 0.432 288 N N 1.247 120.120 118.700 0.288 0.000 2.452 288 N HA 0.152 4.892 4.740 -0.000 0.000 0.266 288 N C -0.421 175.244 175.510 0.259 0.000 1.175 288 N CA -0.092 53.125 53.050 0.280 0.000 0.945 288 N CB 0.640 39.321 38.487 0.324 0.000 1.063 288 N HN 0.287 nan 8.380 nan 0.000 0.472 289 L N 3.446 124.786 121.223 0.194 0.000 2.295 289 L HA 0.425 4.765 4.340 -0.000 0.000 0.285 289 L C 0.329 177.282 176.870 0.139 0.000 1.035 289 L CA -0.643 54.313 54.840 0.194 0.000 0.806 289 L CB 1.348 43.499 42.059 0.153 0.000 1.214 289 L HN 0.299 nan 8.230 nan 0.000 0.426 290 I N 3.115 123.757 120.570 0.121 0.000 2.352 290 I HA 0.189 4.359 4.170 -0.000 0.000 0.290 290 I C 0.343 176.498 176.117 0.063 0.000 1.036 290 I CA 0.163 61.508 61.300 0.075 0.000 1.336 290 I CB 1.112 39.139 38.000 0.046 0.000 1.407 290 I HN 0.534 nan 8.210 nan 0.000 0.497 291 D N 4.239 124.670 120.400 0.052 0.000 2.712 291 D HA 0.174 4.814 4.640 -0.000 0.000 0.252 291 D C -0.266 176.051 176.300 0.029 0.000 1.123 291 D CA -0.586 53.440 54.000 0.043 0.000 1.109 291 D CB 1.169 41.996 40.800 0.045 0.000 1.313 291 D HN 0.492 nan 8.370 nan 0.000 0.629 292 E N 0.694 120.909 120.200 0.025 0.000 2.529 292 E HA -0.065 4.285 4.350 -0.000 0.000 0.259 292 E C -0.427 176.183 176.600 0.016 0.000 0.966 292 E CA 0.212 56.622 56.400 0.017 0.000 0.937 292 E CB 0.166 29.876 29.700 0.016 0.000 0.923 292 E HN 0.323 nan 8.360 nan 0.000 0.468 293 R N 2.428 122.934 120.500 0.010 0.000 3.146 293 R HA -0.114 4.225 4.340 -0.000 0.000 0.250 293 R C -2.058 174.250 176.300 0.013 0.000 0.912 293 R CA 0.290 56.394 56.100 0.008 0.000 0.633 293 R CB -1.605 28.700 30.300 0.009 0.000 1.180 293 R HN 0.564 nan 8.270 nan 0.000 0.464 294 P HA 0.112 nan 4.420 nan 0.000 0.269 294 P C -0.016 177.292 177.300 0.014 0.000 1.209 294 P CA -0.062 63.050 63.100 0.020 0.000 0.776 294 P CB 0.700 32.409 31.700 0.016 0.000 0.876 295 A N 2.208 125.046 122.820 0.031 0.000 2.425 295 A HA 0.368 4.688 4.320 -0.000 0.000 0.242 295 A C 1.725 179.324 177.584 0.025 0.000 1.077 295 A CA 0.286 52.344 52.037 0.036 0.000 0.781 295 A CB -0.278 18.757 19.000 0.058 0.000 1.020 295 A HN 0.632 nan 8.150 nan 0.000 0.494 296 A N 1.582 124.417 122.820 0.025 0.000 1.892 296 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 296 A C 2.445 180.083 177.584 0.090 0.000 1.188 296 A CA 2.714 54.741 52.037 -0.016 0.000 0.631 296 A CB -1.287 17.751 19.000 0.062 0.000 0.822 296 A HN 1.732 nan 8.150 nan 0.000 0.447 297 S N -1.091 114.740 115.700 0.218 0.000 2.399 297 S HA -0.147 4.323 4.470 -0.000 0.000 0.231 297 S C 1.801 176.528 174.600 0.211 0.000 1.022 297 S CA 1.854 60.233 58.200 0.299 0.000 0.983 297 S CB -1.158 62.156 63.200 0.190 0.000 0.803 297 S HN 0.518 nan 8.310 nan 0.000 0.480 298 T N 3.151 117.781 114.554 0.126 0.000 2.708 298 T HA 0.121 4.471 4.350 -0.000 0.000 0.266 298 T C 1.679 176.425 174.700 0.077 0.000 1.037 298 T CA 1.444 63.606 62.100 0.103 0.000 1.146 298 T CB -0.486 68.431 68.868 0.082 0.000 0.865 298 T HN 0.352 nan 8.240 nan 0.000 0.435 299 L N -0.469 120.757 121.223 0.006 0.000 2.217 299 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 299 L C 2.209 179.046 176.870 -0.055 0.000 1.107 299 L CA 0.805 55.606 54.840 -0.064 0.000 0.783 299 L CB -0.584 41.380 42.059 -0.158 0.000 0.919 299 L HN 0.177 nan 8.230 nan 0.000 0.442 300 F N -0.032 119.953 119.950 0.058 0.000 2.134 300 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 300 F C 2.424 178.291 175.800 0.111 0.000 1.097 300 F CA 1.221 59.268 58.000 0.079 0.000 1.264 300 F CB -0.812 38.216 39.000 0.047 0.000 1.001 300 F HN -0.236 nan 8.300 nan 0.000 0.479 301 V N 0.005 120.078 119.914 0.266 0.000 2.407 301 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 301 V C 2.033 178.177 176.094 0.085 0.000 1.055 301 V CA 2.147 64.548 62.300 0.169 0.000 1.049 301 V CB -0.740 31.158 31.823 0.126 0.000 0.662 301 V HN 0.311 nan 8.190 nan 0.000 0.455 302 D N -0.198 120.242 120.400 0.067 0.000 2.123 302 D HA -0.225 4.415 4.640 -0.000 0.000 0.196 302 D C 1.961 178.265 176.300 0.007 0.000 0.992 302 D CA 1.341 55.349 54.000 0.013 0.000 0.833 302 D CB -0.081 40.724 40.800 0.009 0.000 0.954 302 D HN 0.295 nan 8.370 nan 0.000 0.455 303 L N -0.043 121.228 121.223 0.079 0.000 2.109 303 L HA 0.050 4.390 4.340 -0.000 0.000 0.207 303 L C 2.053 178.944 176.870 0.034 0.000 1.086 303 L CA 1.110 56.005 54.840 0.092 0.000 0.760 303 L CB -0.772 41.431 42.059 0.240 0.000 0.910 303 L HN 0.249 nan 8.230 nan 0.000 0.437 304 L N -0.958 120.377 121.223 0.187 0.000 2.042 304 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 304 L C 2.283 179.060 176.870 -0.156 0.000 1.076 304 L CA 1.778 56.688 54.840 0.116 0.000 0.749 304 L CB -0.531 41.709 42.059 0.302 0.000 0.893 304 L HN 0.267 nan 8.230 nan 0.000 0.432 305 L N -1.330 119.800 121.223 -0.155 0.000 2.012 305 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 305 L C 2.507 179.217 176.870 -0.265 0.000 1.073 305 L CA 1.334 56.020 54.840 -0.257 0.000 0.748 305 L CB -0.776 41.128 42.059 -0.258 0.000 0.891 305 L HN 0.382 nan 8.230 nan 0.000 0.431 306 L N -0.553 120.544 121.223 -0.210 0.000 1.989 306 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 306 L C 2.384 179.088 176.870 -0.277 0.000 1.071 306 L CA 1.753 56.470 54.840 -0.204 0.000 0.749 306 L CB -0.478 41.486 42.059 -0.159 0.000 0.890 306 L HN -0.075 nan 8.230 nan 0.000 0.431 307 V N -0.376 119.293 119.914 -0.408 0.000 2.295 307 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 307 V C 2.530 178.388 176.094 -0.393 0.000 1.049 307 V CA 2.144 64.122 62.300 -0.537 0.000 1.024 307 V CB -0.472 30.669 31.823 -1.136 0.000 0.648 307 V HN 0.456 nan 8.190 nan 0.000 0.447 308 L N 0.008 120.963 121.223 -0.447 0.000 2.068 308 L HA -0.038 4.302 4.340 -0.000 0.000 0.204 308 L C 1.933 178.429 176.870 -0.623 0.000 1.076 308 L CA 1.730 56.250 54.840 -0.534 0.000 0.753 308 L CB -0.326 41.249 42.059 -0.806 0.000 0.910 308 L HN 0.465 nan 8.230 nan 0.000 0.439 309 V N -5.584 113.998 119.914 -0.553 0.000 3.382 309 V HA 0.538 4.657 4.120 -0.000 0.000 0.296 309 V C 1.001 176.911 176.094 -0.306 0.000 1.529 309 V CA 0.204 62.187 62.300 -0.528 0.000 1.048 309 V CB 0.195 31.603 31.823 -0.693 0.000 0.878 309 V HN 0.442 nan 8.190 nan 0.000 0.442 310 G N 0.044 108.705 108.800 -0.231 0.000 2.136 310 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.242 310 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.242 310 G C 0.600 175.441 174.900 -0.097 0.000 0.989 310 G CA 0.360 45.384 45.100 -0.127 0.000 0.682 310 G HN 1.390 nan 8.290 nan 0.000 0.522 311 G N -0.891 107.822 108.800 -0.146 0.000 2.510 311 G HA2 0.978 4.938 3.960 -0.000 0.000 0.280 311 G HA3 0.978 4.938 3.960 -0.000 0.000 0.280 311 G C 0.008 174.865 174.900 -0.072 0.000 1.386 311 G CA 0.410 45.459 45.100 -0.085 0.000 1.047 311 G HN 1.831 nan 8.290 nan 0.000 0.527 312 A N -1.364 121.436 122.820 -0.033 0.000 2.599 312 A HA 0.597 4.917 4.320 -0.000 0.000 0.294 312 A C -0.912 176.683 177.584 0.020 0.000 1.055 312 A CA -0.661 51.358 52.037 -0.029 0.000 0.683 312 A CB 1.183 20.162 19.000 -0.035 0.000 1.278 312 A HN 0.466 nan 8.150 nan 0.000 0.412 313 E N 0.821 121.035 120.200 0.025 0.000 2.319 313 E HA 0.556 4.906 4.350 -0.000 0.000 0.268 313 E C -0.313 176.275 176.600 -0.020 0.000 1.050 313 E CA -0.169 56.280 56.400 0.082 0.000 0.878 313 E CB 1.190 30.956 29.700 0.109 0.000 1.066 313 E HN 0.546 nan 8.360 nan 0.000 0.406 314 R N 0.045 120.501 120.500 -0.073 0.000 2.854 314 R HA 0.370 4.710 4.340 -0.000 0.000 0.271 314 R C -0.042 176.227 176.300 -0.052 0.000 0.994 314 R CA -0.664 55.298 56.100 -0.230 0.000 0.945 314 R CB 1.712 31.542 30.300 -0.783 0.000 1.194 314 R HN 0.638 nan 8.270 nan 0.000 0.476 315 S N -0.624 115.053 115.700 -0.039 0.000 2.645 315 S HA 0.072 4.542 4.470 -0.000 0.000 0.266 315 S C 0.967 175.655 174.600 0.147 0.000 1.258 315 S CA -0.645 57.592 58.200 0.061 0.000 0.990 315 S CB 1.495 64.714 63.200 0.031 0.000 0.967 315 S HN 0.831 nan 8.310 nan 0.000 0.556 316 E N 0.695 121.000 120.200 0.174 0.000 2.077 316 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 316 E C 1.827 178.524 176.600 0.161 0.000 0.989 316 E CA 1.343 57.870 56.400 0.212 0.000 0.800 316 E CB -0.324 29.450 29.700 0.122 0.000 0.746 316 E HN 0.709 nan 8.360 nan 0.000 0.452 317 S N 0.702 116.456 115.700 0.089 0.000 2.370 317 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 317 S C 1.712 176.339 174.600 0.046 0.000 1.033 317 S CA 1.442 59.677 58.200 0.058 0.000 1.011 317 S CB -0.238 62.981 63.200 0.032 0.000 0.852 317 S HN 0.341 nan 8.310 nan 0.000 0.457 318 E N 0.083 120.290 120.200 0.011 0.000 2.077 318 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 318 E C 1.704 178.279 176.600 -0.042 0.000 0.989 318 E CA 1.039 57.406 56.400 -0.054 0.000 0.800 318 E CB -0.216 29.399 29.700 -0.141 0.000 0.746 318 E HN 0.411 nan 8.360 nan 0.000 0.452 319 F N 0.904 120.864 119.950 0.017 0.000 2.134 319 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 319 F C 2.366 178.166 175.800 0.000 0.000 1.097 319 F CA 1.157 59.163 58.000 0.010 0.000 1.264 319 F CB -0.663 38.341 39.000 0.006 0.000 1.001 319 F HN 0.004 nan 8.300 nan 0.000 0.479 320 A N -0.206 122.730 122.820 0.193 0.000 1.933 320 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 320 A C 2.433 180.058 177.584 0.069 0.000 1.175 320 A CA 1.724 53.822 52.037 0.103 0.000 0.628 320 A CB -1.286 17.757 19.000 0.072 0.000 0.814 320 A HN 0.307 nan 8.150 nan 0.000 0.444 321 A N -0.163 122.690 122.820 0.055 0.000 1.902 321 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 321 A C 2.164 179.768 177.584 0.035 0.000 1.181 321 A CA 1.544 53.600 52.037 0.032 0.000 0.623 321 A CB -0.578 18.431 19.000 0.015 0.000 0.818 321 A HN 0.485 nan 8.150 nan 0.000 0.443 322 L N -0.876 120.378 121.223 0.051 0.000 2.072 322 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 322 L C 2.532 179.433 176.870 0.051 0.000 1.079 322 L CA 0.818 55.690 54.840 0.053 0.000 0.752 322 L CB -0.608 41.496 42.059 0.075 0.000 0.906 322 L HN 0.335 nan 8.230 nan 0.000 0.436 323 L N -0.146 121.118 121.223 0.068 0.000 2.042 323 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 323 L C 2.696 179.575 176.870 0.014 0.000 1.076 323 L CA 1.410 56.271 54.840 0.034 0.000 0.749 323 L CB -0.511 41.568 42.059 0.033 0.000 0.893 323 L HN 0.346 nan 8.230 nan 0.000 0.432 324 E N 0.690 120.901 120.200 0.019 0.000 2.110 324 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 324 E C 1.937 178.540 176.600 0.005 0.000 0.988 324 E CA 1.130 57.536 56.400 0.009 0.000 0.804 324 E CB 0.125 29.832 29.700 0.012 0.000 0.745 324 E HN 0.431 nan 8.360 nan 0.000 0.458 325 K N -0.240 120.165 120.400 0.009 0.000 2.439 325 K HA 0.015 4.335 4.320 -0.000 0.000 0.197 325 K C 1.337 177.936 176.600 -0.001 0.000 1.041 325 K CA 0.725 57.015 56.287 0.005 0.000 0.970 325 K CB 0.250 32.756 32.500 0.010 0.000 0.773 325 K HN -0.048 nan 8.250 nan 0.000 0.479 326 S N -0.621 115.075 115.700 -0.005 0.000 2.559 326 S HA 0.162 4.632 4.470 -0.000 0.000 0.226 326 S C 0.730 175.314 174.600 -0.027 0.000 1.000 326 S CA 0.226 58.415 58.200 -0.018 0.000 0.948 326 S CB 1.362 64.548 63.200 -0.025 0.000 0.870 326 S HN 0.507 nan 8.310 nan 0.000 0.497 327 G N 1.735 110.523 108.800 -0.020 0.000 2.149 327 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.235 327 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.235 327 G C -0.242 174.641 174.900 -0.029 0.000 1.018 327 G CA 0.044 45.130 45.100 -0.024 0.000 0.728 327 G HN 0.434 nan 8.290 nan 0.000 0.508 328 L N -1.149 120.059 121.223 -0.025 0.000 2.283 328 L HA 0.931 5.271 4.340 -0.000 0.000 0.259 328 L C 0.437 177.297 176.870 -0.018 0.000 1.027 328 L CA -1.483 53.339 54.840 -0.030 0.000 0.828 328 L CB 2.263 44.296 42.059 -0.043 0.000 1.380 328 L HN 0.428 nan 8.230 nan 0.000 0.425 329 R N -0.198 120.290 120.500 -0.020 0.000 2.626 329 R HA 0.612 4.952 4.340 -0.000 0.000 0.274 329 R C -1.839 174.450 176.300 -0.017 0.000 1.031 329 R CA -0.798 55.294 56.100 -0.012 0.000 0.898 329 R CB 1.626 31.921 30.300 -0.009 0.000 1.222 329 R HN 0.247 nan 8.270 nan 0.000 0.455 330 V N 2.983 122.891 119.914 -0.011 0.000 2.521 330 V HA -0.008 4.112 4.120 -0.000 0.000 0.286 330 V C 1.093 177.179 176.094 -0.013 0.000 1.034 330 V CA 0.430 62.719 62.300 -0.017 0.000 1.045 330 V CB 1.012 32.832 31.823 -0.005 0.000 0.974 330 V HN 0.988 nan 8.190 nan 0.000 0.480 331 E N 4.907 125.096 120.200 -0.018 0.000 2.162 331 E HA 0.112 4.462 4.350 -0.000 0.000 0.193 331 E C 0.659 177.256 176.600 -0.005 0.000 0.953 331 E CA 0.575 56.969 56.400 -0.009 0.000 0.849 331 E CB 0.402 30.098 29.700 -0.007 0.000 0.810 331 E HN 0.797 nan 8.360 nan 0.000 0.470 332 R N -1.853 118.642 120.500 -0.008 0.000 2.753 332 R HA 0.447 4.787 4.340 -0.000 0.000 0.272 332 R C -1.504 174.790 176.300 -0.010 0.000 1.034 332 R CA -0.610 55.488 56.100 -0.003 0.000 0.869 332 R CB 0.615 30.919 30.300 0.006 0.000 1.264 332 R HN -0.033 nan 8.270 nan 0.000 0.481 333 S N 1.790 117.487 115.700 -0.004 0.000 2.454 333 S HA 0.686 5.156 4.470 -0.000 0.000 0.306 333 S C -0.761 173.842 174.600 0.004 0.000 1.100 333 S CA -0.762 57.432 58.200 -0.009 0.000 1.087 333 S CB 0.764 63.964 63.200 -0.000 0.000 1.019 333 S HN 0.465 nan 8.310 nan 0.000 0.480 334 L N 5.547 126.772 121.223 0.003 0.000 2.381 334 L HA 0.602 4.942 4.340 -0.000 0.000 0.268 334 L C -2.269 174.612 176.870 0.019 0.000 0.997 334 L CA -2.530 52.322 54.840 0.019 0.000 0.818 334 L CB 2.334 44.417 42.059 0.040 0.000 1.310 334 L HN 0.492 nan 8.230 nan 0.000 0.416 335 P HA 0.005 nan 4.420 nan 0.000 0.269 335 P C -0.959 176.363 177.300 0.036 0.000 1.209 335 P CA -0.315 62.804 63.100 0.031 0.000 0.776 335 P CB 1.215 32.934 31.700 0.032 0.000 0.876 336 C N 3.072 122.395 119.300 0.038 0.000 2.571 336 C HA 0.664 5.124 4.460 -0.000 0.000 0.343 336 C C 0.720 175.741 174.990 0.051 0.000 1.082 336 C CA 1.057 60.101 59.018 0.044 0.000 1.339 336 C CB -0.536 27.223 27.740 0.031 0.000 1.893 336 C HN 1.029 nan 8.230 nan 0.000 0.445 337 G N 4.294 113.126 108.800 0.053 0.000 2.682 337 G HA2 0.279 4.239 3.960 -0.000 0.000 0.256 337 G HA3 0.279 4.239 3.960 -0.000 0.000 0.256 337 G C -0.068 174.863 174.900 0.052 0.000 1.333 337 G CA 0.006 45.138 45.100 0.053 0.000 0.904 337 G HN 2.233 nan 8.290 nan 0.000 0.569 338 A N -0.066 122.786 122.820 0.053 0.000 2.271 338 A HA 1.047 5.367 4.320 -0.000 0.000 0.317 338 A C 0.931 178.552 177.584 0.060 0.000 1.245 338 A CA 1.164 53.232 52.037 0.051 0.000 0.857 338 A CB 0.816 19.842 19.000 0.044 0.000 1.175 338 A HN 2.862 nan 8.150 nan 0.000 0.512 339 G N 2.168 111.007 108.800 0.064 0.000 2.340 339 G HA2 0.294 4.254 3.960 -0.000 0.000 0.282 339 G HA3 0.294 4.254 3.960 -0.000 0.000 0.282 339 G C -2.382 172.566 174.900 0.081 0.000 1.312 339 G CA 0.133 45.278 45.100 0.076 0.000 0.942 339 G HN 0.549 nan 8.290 nan 0.000 0.495 340 P HA 0.244 nan 4.420 nan 0.000 0.249 340 P C 0.629 177.997 177.300 0.114 0.000 1.229 340 P CA 0.158 63.320 63.100 0.104 0.000 0.788 340 P CB 0.247 32.018 31.700 0.119 0.000 1.072 341 V N 1.793 121.778 119.914 0.119 0.000 2.585 341 V HA 0.068 4.188 4.120 -0.000 0.000 0.296 341 V C 0.956 177.082 176.094 0.053 0.000 1.035 341 V CA 0.421 62.783 62.300 0.103 0.000 1.084 341 V CB -0.126 31.760 31.823 0.106 0.000 0.953 341 V HN 0.126 nan 8.190 nan 0.000 0.483 342 R N 3.680 124.192 120.500 0.020 0.000 2.836 342 R HA 0.660 5.000 4.340 -0.000 0.000 0.269 342 R C -1.265 174.998 176.300 -0.061 0.000 1.010 342 R CA -1.015 55.081 56.100 -0.005 0.000 0.930 342 R CB 2.416 32.721 30.300 0.009 0.000 1.218 342 R HN 0.551 nan 8.270 nan 0.000 0.473 343 I N 2.029 122.562 120.570 -0.061 0.000 2.307 343 I HA 0.227 4.396 4.170 -0.000 0.000 0.289 343 I C -0.418 175.627 176.117 -0.120 0.000 1.021 343 I CA -0.747 60.486 61.300 -0.112 0.000 1.224 343 I CB 1.681 39.622 38.000 -0.098 0.000 1.376 343 I HN 0.138 nan 8.210 nan 0.000 0.470 344 V N 6.314 126.123 119.914 -0.176 0.000 2.334 344 V HA 0.179 4.299 4.120 -0.000 0.000 0.267 344 V C 0.369 176.360 176.094 -0.172 0.000 1.040 344 V CA -0.592 61.610 62.300 -0.163 0.000 0.866 344 V CB 0.970 32.659 31.823 -0.224 0.000 1.019 344 V HN 0.708 nan 8.190 nan 0.000 0.468 345 E N 4.961 125.088 120.200 -0.121 0.000 2.259 345 E HA 0.530 4.880 4.350 -0.000 0.000 0.281 345 E C -1.065 175.487 176.600 -0.080 0.000 1.037 345 E CA -0.309 56.022 56.400 -0.114 0.000 0.854 345 E CB 0.844 30.527 29.700 -0.028 0.000 1.051 345 E HN 0.627 nan 8.360 nan 0.000 0.409 346 I N 4.503 125.021 120.570 -0.087 0.000 2.647 346 I HA 0.459 4.629 4.170 -0.000 0.000 0.295 346 I C -0.223 175.867 176.117 -0.044 0.000 1.078 346 I CA -0.812 60.448 61.300 -0.067 0.000 1.048 346 I CB 1.970 39.916 38.000 -0.090 0.000 1.239 346 I HN 0.553 nan 8.210 nan 0.000 0.421 347 R N 3.688 124.169 120.500 -0.032 0.000 2.905 347 R HA 0.678 5.018 4.340 -0.000 0.000 0.260 347 R C -1.010 175.274 176.300 -0.028 0.000 1.086 347 R CA -1.174 54.912 56.100 -0.023 0.000 0.978 347 R CB 1.069 31.363 30.300 -0.011 0.000 1.215 347 R HN 0.370 nan 8.270 nan 0.000 0.480 348 R N 0.484 120.969 120.500 -0.025 0.000 2.537 348 R HA 0.251 4.591 4.340 -0.000 0.000 0.280 348 R C 0.226 176.514 176.300 -0.020 0.000 1.058 348 R CA 0.182 56.266 56.100 -0.028 0.000 1.057 348 R CB 0.865 31.149 30.300 -0.027 0.000 0.973 348 R HN 0.726 nan 8.270 nan 0.000 0.438 349 A N 0.000 122.808 122.820 -0.020 0.000 2.254 349 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 349 A CA 0.000 52.028 52.037 -0.014 0.000 0.836 349 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 349 A HN 0.000 nan 8.150 nan 0.000 0.486