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 3iwj_1_A DATA FIRST_RESID 4 DATA SEQUENCE PIPTRQLFIN GDWKAPVLNK RIPVINPATQ NIIGDIPAAT KEDVDVAVAA DATA SEQUENCE AKTALTRNKG ADWATASGAV RARYLRAIAA KVTEKKPELA KLESIDCGKP DATA SEQUENCE LDEAAWDIDD VAGCFEYYAD LAEKLDARQK APVSLPMDTF KSHVLREPIG DATA SEQUENCE VVGLITPWNY PMLMATWKVA PALAAGCAAI LKPSELASLT CLELGEICKE DATA SEQUENCE VGLPPGVLNI LTGLGPEAGA PLATHPDVDK VAFTGSSATG SKIMTAAAQL DATA SEQUENCE VKPVSLELGG KSPLVVFEDV DLDKAAEWAI FGCFWTNGQI CSATSRLILH DATA SEQUENCE ESIATEFLNR IVKWIKNIKI SDPLEEGCRL GPVVSEGQYE KILKFVSNAK DATA SEQUENCE SEGATILTGG SRPEHLKKGF FIEPTIITDV TTNMQIWREE VFGPVLCVKT DATA SEQUENCE FSTEEEAIDL ANDTVYGLGA AVISNDLERC ERVTKAFKAG IVWVNCSQPC DATA SEQUENCE FTQAPWGGVK RSGFGRELGE WGLDNYLSVK QVTQYISEEP WGWYQPPAKL 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.285 177.300 -0.025 0.000 1.155 4 P CA 0.000 63.087 63.100 -0.022 0.000 0.800 4 P CB 0.000 31.689 31.700 -0.019 0.000 0.726 5 I N 4.135 124.688 120.570 -0.028 0.000 2.587 5 I HA 0.228 4.440 4.170 0.070 0.000 0.284 5 I C -1.985 174.105 176.117 -0.045 0.000 1.134 5 I CA -1.299 59.981 61.300 -0.032 0.000 1.410 5 I CB -0.282 37.700 38.000 -0.030 0.000 1.392 5 I HN 0.071 nan 8.210 nan 0.000 0.545 6 P HA 0.093 nan 4.420 nan 0.000 0.269 6 P C -0.413 176.827 177.300 -0.100 0.000 1.215 6 P CA -0.340 62.711 63.100 -0.082 0.000 0.780 6 P CB 0.468 32.114 31.700 -0.089 0.000 0.898 7 T N 2.968 117.442 114.554 -0.133 0.000 2.779 7 T HA 0.500 4.892 4.350 0.070 0.000 0.280 7 T C -0.571 173.983 174.700 -0.244 0.000 0.987 7 T CA -0.704 61.311 62.100 -0.143 0.000 0.966 7 T CB 0.013 68.817 68.868 -0.107 0.000 0.933 7 T HN 0.176 nan 8.240 nan 0.000 0.442 8 R N 3.251 123.603 120.500 -0.247 0.000 2.836 8 R HA 0.511 4.893 4.340 0.070 0.000 0.269 8 R C -0.419 175.768 176.300 -0.189 0.000 1.010 8 R CA -0.923 54.923 56.100 -0.423 0.000 0.930 8 R CB 1.610 31.596 30.300 -0.524 0.000 1.218 8 R HN 0.623 nan 8.270 nan 0.000 0.473 9 Q N 0.565 120.300 119.800 -0.108 0.000 2.239 9 Q HA 0.483 4.865 4.340 0.070 0.000 0.193 9 Q C 0.295 176.521 176.000 0.377 0.000 1.004 9 Q CA -0.919 54.984 55.803 0.166 0.000 1.040 9 Q CB 0.620 29.500 28.738 0.236 0.000 1.149 9 Q HN 0.395 nan 8.270 nan 0.000 0.535 10 L N 0.451 121.856 121.223 0.304 0.000 2.483 10 L HA 0.110 4.492 4.340 0.070 0.000 0.275 10 L C 0.095 177.206 176.870 0.401 0.000 1.220 10 L CA 0.002 55.020 54.840 0.296 0.000 0.833 10 L CB -0.089 42.062 42.059 0.155 0.000 1.102 10 L HN 0.373 nan 8.230 nan 0.000 0.490 11 F N 3.656 123.662 119.950 0.093 0.000 2.332 11 F HA 0.590 5.157 4.527 0.067 0.000 0.368 11 F C -0.349 175.365 175.800 -0.144 0.000 1.110 11 F CA -0.419 57.475 58.000 -0.175 0.000 1.087 11 F CB 0.459 39.237 39.000 -0.369 0.000 1.235 11 F HN 0.129 nan 8.300 nan 0.000 0.470 12 I N 5.228 125.456 120.570 -0.570 0.000 2.569 12 I HA 0.209 4.420 4.170 0.070 0.000 0.290 12 I C -0.106 175.672 176.117 -0.564 0.000 1.088 12 I CA -1.158 59.886 61.300 -0.425 0.000 1.047 12 I CB 1.864 39.748 38.000 -0.193 0.000 1.237 12 I HN 0.549 nan 8.210 nan 0.000 0.421 13 N N 4.415 122.835 118.700 -0.467 0.000 2.727 13 N HA -0.202 4.579 4.740 0.070 0.000 0.249 13 N C 0.729 175.952 175.510 -0.479 0.000 1.048 13 N CA 1.471 54.293 53.050 -0.381 0.000 0.714 13 N CB -0.694 37.647 38.487 -0.244 0.000 0.959 13 N HN 1.169 nan 8.380 nan 0.000 0.544 14 G N -1.712 106.624 108.800 -0.773 0.000 2.176 14 G HA2 -0.270 3.732 3.960 0.070 0.000 0.253 14 G HA3 -0.270 3.732 3.960 0.070 0.000 0.253 14 G C -0.234 174.269 174.900 -0.662 0.000 0.979 14 G CA 0.465 45.186 45.100 -0.632 0.000 0.641 14 G HN 0.759 nan 8.290 nan 0.000 0.530 15 D N -1.698 118.158 120.400 -0.906 0.000 2.599 15 D HA 0.520 5.201 4.640 0.070 0.000 0.252 15 D C -0.632 175.370 176.300 -0.495 0.000 1.232 15 D CA -0.774 52.908 54.000 -0.530 0.000 0.819 15 D CB 0.651 41.318 40.800 -0.222 0.000 1.401 15 D HN 0.136 nan 8.370 nan 0.000 0.429 16 W N 1.519 122.841 121.300 0.036 0.000 2.238 16 W HA 0.419 5.120 4.660 0.069 0.000 0.321 16 W C 0.720 177.241 176.519 0.003 0.000 1.293 16 W CA -0.252 57.136 57.345 0.072 0.000 1.204 16 W CB 0.637 30.157 29.460 0.101 0.000 1.167 16 W HN -0.042 nan 8.180 nan 0.000 0.553 17 K N 2.245 122.794 120.400 0.248 0.000 2.553 17 K HA 0.572 4.934 4.320 0.070 0.000 0.250 17 K C -0.609 176.063 176.600 0.120 0.000 0.953 17 K CA -0.784 55.575 56.287 0.119 0.000 0.800 17 K CB 1.351 33.866 32.500 0.025 0.000 1.243 17 K HN 0.549 nan 8.250 nan 0.000 0.435 18 A N 4.684 127.557 122.820 0.088 0.000 2.483 18 A HA 0.333 4.695 4.320 0.070 0.000 0.238 18 A C -2.304 175.313 177.584 0.055 0.000 1.070 18 A CA -0.836 51.242 52.037 0.068 0.000 0.770 18 A CB -0.410 18.618 19.000 0.047 0.000 1.008 18 A HN 0.447 nan 8.150 nan 0.000 0.497 19 P HA 0.062 nan 4.420 nan 0.000 0.266 19 P C 1.054 178.373 177.300 0.032 0.000 1.193 19 P CA -0.234 62.891 63.100 0.042 0.000 0.770 19 P CB 0.426 32.150 31.700 0.040 0.000 0.836 20 V N 2.859 122.790 119.914 0.027 0.000 2.343 20 V HA -0.186 3.976 4.120 0.070 0.000 0.247 20 V C 1.800 177.906 176.094 0.019 0.000 1.051 20 V CA 1.818 64.131 62.300 0.021 0.000 1.036 20 V CB -0.785 31.050 31.823 0.019 0.000 0.654 20 V HN 0.506 nan 8.190 nan 0.000 0.451 21 L N -0.084 121.151 121.223 0.020 0.000 2.685 21 L HA 0.251 4.633 4.340 0.070 0.000 0.233 21 L C 1.091 177.971 176.870 0.017 0.000 1.173 21 L CA 0.139 54.990 54.840 0.017 0.000 0.961 21 L CB -1.032 41.037 42.059 0.017 0.000 1.217 21 L HN 0.441 nan 8.230 nan 0.000 0.478 22 N N 1.258 119.970 118.700 0.020 0.000 2.628 22 N HA -0.261 4.521 4.740 0.070 0.000 0.247 22 N C 0.539 176.059 175.510 0.017 0.000 1.157 22 N CA 0.802 53.864 53.050 0.019 0.000 0.729 22 N CB -0.432 38.065 38.487 0.016 0.000 1.083 22 N HN 0.353 nan 8.380 nan 0.000 0.554 23 K N 0.590 121.000 120.400 0.018 0.000 2.319 23 K HA 0.226 4.588 4.320 0.070 0.000 0.265 23 K C -0.087 176.523 176.600 0.017 0.000 1.000 23 K CA 0.200 56.497 56.287 0.016 0.000 0.943 23 K CB 0.508 33.018 32.500 0.017 0.000 0.950 23 K HN 0.174 nan 8.250 nan 0.000 0.485 24 R N 2.289 122.797 120.500 0.013 0.000 2.774 24 R HA 0.519 4.901 4.340 0.070 0.000 0.272 24 R C -0.740 175.565 176.300 0.008 0.000 1.000 24 R CA -0.864 55.242 56.100 0.011 0.000 0.906 24 R CB 1.499 31.802 30.300 0.005 0.000 1.227 24 R HN 0.671 nan 8.270 nan 0.000 0.468 25 I N -1.340 119.234 120.570 0.008 0.000 2.828 25 I HA 0.617 4.829 4.170 0.070 0.000 0.302 25 I C -2.669 173.447 176.117 -0.001 0.000 1.101 25 I CA -2.876 58.427 61.300 0.004 0.000 1.031 25 I CB 2.534 40.539 38.000 0.008 0.000 1.231 25 I HN 0.327 nan 8.210 nan 0.000 0.427 26 P HA 0.157 nan 4.420 nan 0.000 0.274 26 P C -0.649 176.643 177.300 -0.013 0.000 1.237 26 P CA -0.196 62.898 63.100 -0.010 0.000 0.793 26 P CB 1.525 33.218 31.700 -0.011 0.000 0.977 27 V N 3.535 123.439 119.914 -0.016 0.000 2.398 27 V HA 0.307 4.468 4.120 0.070 0.000 0.286 27 V C 0.526 176.607 176.094 -0.022 0.000 1.026 27 V CA -0.568 61.720 62.300 -0.020 0.000 0.868 27 V CB 1.115 32.926 31.823 -0.020 0.000 0.982 27 V HN 0.366 nan 8.190 nan 0.000 0.443 28 I N 3.623 124.179 120.570 -0.023 0.000 2.412 28 I HA 0.351 4.562 4.170 0.070 0.000 0.296 28 I C 0.202 176.302 176.117 -0.029 0.000 0.987 28 I CA -0.366 60.926 61.300 -0.015 0.000 1.180 28 I CB 1.664 39.678 38.000 0.023 0.000 1.340 28 I HN 0.674 nan 8.210 nan 0.000 0.455 29 N N 7.879 126.549 118.700 -0.049 0.000 2.406 29 N HA 0.203 4.984 4.740 0.070 0.000 0.251 29 N C -1.570 173.865 175.510 -0.125 0.000 1.069 29 N CA -1.391 51.613 53.050 -0.077 0.000 0.947 29 N CB 1.395 39.834 38.487 -0.080 0.000 1.111 29 N HN 0.344 nan 8.380 nan 0.000 0.497 30 P HA -0.128 nan 4.420 nan 0.000 0.220 30 P C 0.697 177.718 177.300 -0.466 0.000 1.148 30 P CA 0.832 63.848 63.100 -0.139 0.000 0.803 30 P CB 0.209 31.879 31.700 -0.051 0.000 0.782 31 A N 0.153 122.773 122.820 -0.334 0.000 2.014 31 A HA -0.075 4.287 4.320 0.070 0.000 0.218 31 A C 2.128 179.605 177.584 -0.178 0.000 1.163 31 A CA 2.299 54.173 52.037 -0.272 0.000 0.652 31 A CB -1.336 17.635 19.000 -0.049 0.000 0.808 31 A HN 0.398 nan 8.150 nan 0.000 0.449 32 T N -5.928 108.489 114.554 -0.229 0.000 2.954 32 T HA 0.223 4.614 4.350 0.070 0.000 0.252 32 T C 0.714 175.257 174.700 -0.261 0.000 0.983 32 T CA 0.775 62.767 62.100 -0.181 0.000 0.941 32 T CB -0.020 68.784 68.868 -0.106 0.000 1.141 32 T HN 0.502 nan 8.240 nan 0.000 0.500 33 Q N 0.429 120.016 119.800 -0.355 0.000 2.374 33 Q HA -0.133 4.249 4.340 0.070 0.000 0.218 33 Q C -0.839 175.082 176.000 -0.132 0.000 0.691 33 Q CA 0.661 56.274 55.803 -0.317 0.000 1.340 33 Q CB -1.902 26.597 28.738 -0.398 0.000 1.498 33 Q HN 0.534 nan 8.270 nan 0.000 0.739 34 N N 0.933 119.568 118.700 -0.109 0.000 2.530 34 N HA 0.337 5.118 4.740 0.070 0.000 0.277 34 N C -0.113 175.370 175.510 -0.046 0.000 1.168 34 N CA -0.262 52.749 53.050 -0.066 0.000 0.979 34 N CB 0.508 38.959 38.487 -0.060 0.000 1.141 34 N HN 0.044 nan 8.380 nan 0.000 0.459 35 I N 1.794 122.345 120.570 -0.032 0.000 2.452 35 I HA 0.061 4.273 4.170 0.070 0.000 0.287 35 I C 1.532 177.632 176.117 -0.028 0.000 1.079 35 I CA 0.191 61.476 61.300 -0.025 0.000 1.387 35 I CB 0.106 38.094 38.000 -0.019 0.000 1.404 35 I HN 0.527 nan 8.210 nan 0.000 0.522 36 I N 2.651 123.204 120.570 -0.028 0.000 4.050 36 I HA 0.770 4.982 4.170 0.070 0.000 0.327 36 I C 0.587 176.687 176.117 -0.027 0.000 1.473 36 I CA -0.151 61.132 61.300 -0.029 0.000 1.124 36 I CB -0.075 37.906 38.000 -0.032 0.000 1.129 36 I HN 0.634 nan 8.210 nan 0.000 0.428 37 G N 1.639 110.424 108.800 -0.026 0.000 2.339 37 G HA2 0.270 4.271 3.960 0.070 0.000 0.275 37 G HA3 0.270 4.271 3.960 0.070 0.000 0.275 37 G C -2.340 172.546 174.900 -0.023 0.000 1.323 37 G CA -0.033 45.052 45.100 -0.027 0.000 0.927 37 G HN 0.457 nan 8.290 nan 0.000 0.486 38 D N -1.482 118.903 120.400 -0.024 0.000 2.615 38 D HA 0.673 5.355 4.640 0.070 0.000 0.267 38 D C -0.351 175.940 176.300 -0.015 0.000 1.236 38 D CA -0.350 53.640 54.000 -0.017 0.000 0.839 38 D CB 1.335 42.126 40.800 -0.014 0.000 1.380 38 D HN 1.361 nan 8.370 nan 0.000 0.433 39 I N -4.507 116.061 120.570 -0.003 0.000 2.730 39 I HA 0.632 4.843 4.170 0.070 0.000 0.298 39 I C -2.813 173.316 176.117 0.020 0.000 1.089 39 I CA -2.663 58.642 61.300 0.009 0.000 1.041 39 I CB 2.731 40.742 38.000 0.020 0.000 1.235 39 I HN 0.036 nan 8.210 nan 0.000 0.423 40 P HA 0.166 nan 4.420 nan 0.000 0.271 40 P C -0.753 176.575 177.300 0.048 0.000 1.216 40 P CA -0.119 63.008 63.100 0.044 0.000 0.776 40 P CB 1.152 32.893 31.700 0.069 0.000 0.881 41 A N 2.712 125.556 122.820 0.041 0.000 2.394 41 A HA 0.602 4.963 4.320 0.070 0.000 0.333 41 A C 0.440 178.049 177.584 0.042 0.000 1.397 41 A CA -0.689 51.372 52.037 0.039 0.000 0.884 41 A CB -0.117 18.901 19.000 0.030 0.000 1.147 41 A HN 0.598 nan 8.150 nan 0.000 0.505 42 A N 2.448 125.298 122.820 0.050 0.000 2.386 42 A HA 0.670 5.032 4.320 0.070 0.000 0.248 42 A C 0.858 178.468 177.584 0.043 0.000 1.082 42 A CA 0.597 52.663 52.037 0.049 0.000 0.789 42 A CB 0.024 19.057 19.000 0.055 0.000 1.025 42 A HN 1.367 nan 8.150 nan 0.000 0.490 43 T N -1.301 113.277 114.554 0.040 0.000 2.888 43 T HA 0.425 4.817 4.350 0.070 0.000 0.288 43 T C 1.003 175.728 174.700 0.042 0.000 1.063 43 T CA -0.308 61.815 62.100 0.037 0.000 1.010 43 T CB 1.264 70.150 68.868 0.030 0.000 1.214 43 T HN 0.656 nan 8.240 nan 0.000 0.533 44 K N 0.702 121.127 120.400 0.042 0.000 2.097 44 K HA -0.257 4.105 4.320 0.070 0.000 0.214 44 K C 1.996 178.629 176.600 0.055 0.000 1.052 44 K CA 2.428 58.746 56.287 0.051 0.000 0.932 44 K CB -0.241 32.282 32.500 0.038 0.000 0.716 44 K HN 0.772 nan 8.250 nan 0.000 0.455 45 E N 0.309 120.534 120.200 0.041 0.000 2.268 45 E HA -0.198 4.194 4.350 0.070 0.000 0.195 45 E C 1.176 177.799 176.600 0.037 0.000 0.995 45 E CA 1.178 57.601 56.400 0.037 0.000 0.836 45 E CB -0.190 29.526 29.700 0.026 0.000 0.763 45 E HN 0.493 nan 8.360 nan 0.000 0.491 46 D N 1.348 121.770 120.400 0.037 0.000 2.162 46 D HA -0.045 4.637 4.640 0.070 0.000 0.203 46 D C 2.279 178.597 176.300 0.029 0.000 0.967 46 D CA 0.692 54.710 54.000 0.030 0.000 0.840 46 D CB -0.066 40.755 40.800 0.035 0.000 0.972 46 D HN 0.066 nan 8.370 nan 0.000 0.482 47 V N 2.175 122.116 119.914 0.045 0.000 2.287 47 V HA -0.245 3.917 4.120 0.070 0.000 0.248 47 V C 1.987 178.110 176.094 0.048 0.000 1.053 47 V CA 1.836 64.163 62.300 0.045 0.000 1.027 47 V CB -0.494 31.376 31.823 0.079 0.000 0.646 47 V HN 0.034 nan 8.190 nan 0.000 0.447 48 D N 0.088 120.555 120.400 0.112 0.000 2.133 48 D HA -0.165 4.517 4.640 0.070 0.000 0.192 48 D C 2.129 178.470 176.300 0.069 0.000 1.001 48 D CA 1.597 55.693 54.000 0.159 0.000 0.844 48 D CB -0.462 40.414 40.800 0.126 0.000 0.944 48 D HN 0.346 nan 8.370 nan 0.000 0.447 49 V N 1.123 121.055 119.914 0.029 0.000 2.358 49 V HA -0.196 3.965 4.120 0.070 0.000 0.246 49 V C 2.496 178.569 176.094 -0.036 0.000 1.047 49 V CA 1.723 64.021 62.300 -0.004 0.000 1.035 49 V CB -0.786 31.031 31.823 -0.010 0.000 0.658 49 V HN 0.197 nan 8.190 nan 0.000 0.452 50 A N -0.177 122.617 122.820 -0.042 0.000 1.902 50 A HA -0.142 4.219 4.320 0.070 0.000 0.217 50 A C 2.396 179.923 177.584 -0.094 0.000 1.181 50 A CA 2.023 54.017 52.037 -0.070 0.000 0.623 50 A CB -0.650 18.319 19.000 -0.051 0.000 0.818 50 A HN 0.324 nan 8.150 nan 0.000 0.443 51 V N -0.080 119.759 119.914 -0.125 0.000 2.261 51 V HA -0.253 3.909 4.120 0.070 0.000 0.246 51 V C 3.087 179.105 176.094 -0.125 0.000 1.047 51 V CA 1.974 64.148 62.300 -0.211 0.000 1.015 51 V CB -1.332 30.152 31.823 -0.566 0.000 0.642 51 V HN 0.613 nan 8.190 nan 0.000 0.446 52 A N 0.040 122.821 122.820 -0.064 0.000 1.917 52 A HA -0.207 4.155 4.320 0.070 0.000 0.219 52 A C 2.412 179.969 177.584 -0.045 0.000 1.182 52 A CA 2.404 54.426 52.037 -0.026 0.000 0.633 52 A CB -0.842 18.160 19.000 0.002 0.000 0.819 52 A HN 0.610 nan 8.150 nan 0.000 0.448 53 A N -0.328 122.452 122.820 -0.067 0.000 1.902 53 A HA 0.175 4.536 4.320 0.070 0.000 0.217 53 A C 2.510 180.039 177.584 -0.092 0.000 1.181 53 A CA 2.081 54.065 52.037 -0.088 0.000 0.623 53 A CB -0.991 17.938 19.000 -0.119 0.000 0.818 53 A HN 1.073 nan 8.150 nan 0.000 0.443 54 A N -0.203 122.563 122.820 -0.090 0.000 1.877 54 A HA -0.155 4.207 4.320 0.070 0.000 0.216 54 A C 2.113 179.669 177.584 -0.045 0.000 1.186 54 A CA 1.788 53.779 52.037 -0.078 0.000 0.620 54 A CB -0.474 18.483 19.000 -0.072 0.000 0.822 54 A HN 0.517 nan 8.150 nan 0.000 0.443 55 K N -0.880 119.498 120.400 -0.037 0.000 2.000 55 K HA -0.168 4.193 4.320 0.070 0.000 0.218 55 K C 2.156 178.752 176.600 -0.006 0.000 1.053 55 K CA 2.104 58.384 56.287 -0.011 0.000 0.946 55 K CB -0.750 31.747 32.500 -0.005 0.000 0.723 55 K HN 0.499 nan 8.250 nan 0.000 0.446 56 T N 1.115 115.658 114.554 -0.018 0.000 2.699 56 T HA -0.209 4.183 4.350 0.070 0.000 0.268 56 T C 1.919 176.608 174.700 -0.017 0.000 1.036 56 T CA 1.532 63.622 62.100 -0.017 0.000 1.147 56 T CB -0.331 68.520 68.868 -0.029 0.000 0.862 56 T HN 0.397 nan 8.240 nan 0.000 0.446 57 A N 0.733 123.531 122.820 -0.036 0.000 2.019 57 A HA 0.052 4.414 4.320 0.070 0.000 0.219 57 A C 2.234 179.830 177.584 0.019 0.000 1.164 57 A CA 1.098 53.109 52.037 -0.043 0.000 0.644 57 A CB -0.646 18.290 19.000 -0.107 0.000 0.805 57 A HN 0.509 nan 8.150 nan 0.000 0.449 58 L N -0.677 120.570 121.223 0.040 0.000 2.209 58 L HA -0.060 4.322 4.340 0.070 0.000 0.207 58 L C 2.781 179.691 176.870 0.068 0.000 1.094 58 L CA 1.541 56.432 54.840 0.085 0.000 0.790 58 L CB -0.336 41.770 42.059 0.078 0.000 0.932 58 L HN 0.599 nan 8.230 nan 0.000 0.447 59 T N -3.182 111.397 114.554 0.042 0.000 3.031 59 T HA -0.045 4.347 4.350 0.070 0.000 0.254 59 T C 1.216 175.934 174.700 0.031 0.000 1.060 59 T CA -0.356 61.765 62.100 0.034 0.000 1.135 59 T CB -0.132 68.750 68.868 0.024 0.000 0.896 59 T HN 0.095 nan 8.240 nan 0.000 0.472 60 R N 2.130 122.645 120.500 0.026 0.000 2.538 60 R HA -0.103 4.279 4.340 0.070 0.000 0.273 60 R C -0.408 175.911 176.300 0.032 0.000 0.967 60 R CA 0.629 56.742 56.100 0.021 0.000 1.101 60 R CB -0.262 30.044 30.300 0.010 0.000 0.908 60 R HN 0.326 nan 8.270 nan 0.000 0.411 61 N N 2.804 121.520 118.700 0.026 0.000 2.710 61 N HA -0.225 4.557 4.740 0.070 0.000 0.249 61 N C -0.788 174.742 175.510 0.033 0.000 1.059 61 N CA 1.787 54.855 53.050 0.030 0.000 0.720 61 N CB -0.969 37.539 38.487 0.035 0.000 0.983 61 N HN 0.763 nan 8.380 nan 0.000 0.544 62 K N -2.201 118.217 120.400 0.030 0.000 3.071 62 K HA -0.198 4.163 4.320 0.070 0.000 0.265 62 K C 1.038 177.660 176.600 0.036 0.000 1.060 62 K CA 1.007 57.312 56.287 0.029 0.000 0.767 62 K CB -1.669 30.845 32.500 0.024 0.000 1.241 62 K HN 0.784 nan 8.250 nan 0.000 0.486 63 G N -1.461 107.368 108.800 0.048 0.000 2.175 63 G HA2 -0.358 3.644 3.960 0.070 0.000 0.265 63 G HA3 -0.358 3.644 3.960 0.070 0.000 0.265 63 G C 1.046 175.987 174.900 0.070 0.000 0.979 63 G CA 0.734 45.873 45.100 0.065 0.000 0.663 63 G HN 0.812 nan 8.290 nan 0.000 0.533 64 A N 0.027 122.883 122.820 0.061 0.000 2.019 64 A HA 0.081 4.442 4.320 0.070 0.000 0.219 64 A C 2.018 179.655 177.584 0.088 0.000 1.164 64 A CA 2.137 54.209 52.037 0.058 0.000 0.644 64 A CB -0.229 18.800 19.000 0.048 0.000 0.805 64 A HN 0.462 nan 8.150 nan 0.000 0.449 65 D N -2.292 118.181 120.400 0.122 0.000 2.162 65 D HA -0.073 4.609 4.640 0.070 0.000 0.203 65 D C 1.494 177.967 176.300 0.289 0.000 0.967 65 D CA 0.809 54.918 54.000 0.181 0.000 0.840 65 D CB -0.012 40.878 40.800 0.150 0.000 0.972 65 D HN 0.796 nan 8.370 nan 0.000 0.482 66 W N 0.193 121.492 121.300 -0.002 0.000 4.600 66 W HA 0.260 4.958 4.660 0.064 0.000 0.182 66 W C 1.875 178.396 176.519 0.004 0.000 2.575 66 W CA 0.541 57.875 57.345 -0.018 0.000 2.151 66 W CB -0.023 29.397 29.460 -0.066 0.000 1.520 66 W HN -0.112 nan 8.180 nan 0.000 0.733 67 A N 0.788 123.673 122.820 0.108 0.000 1.902 67 A HA -0.214 4.148 4.320 0.070 0.000 0.217 67 A C 1.642 179.196 177.584 -0.050 0.000 1.181 67 A CA 3.152 55.193 52.037 0.007 0.000 0.623 67 A CB -1.331 17.732 19.000 0.105 0.000 0.818 67 A HN 0.399 nan 8.150 nan 0.000 0.443 68 T N -3.391 111.153 114.554 -0.016 0.000 3.069 68 T HA 0.604 4.996 4.350 0.070 0.000 0.252 68 T C 0.768 175.448 174.700 -0.034 0.000 1.053 68 T CA 0.467 62.555 62.100 -0.020 0.000 0.964 68 T CB -0.326 68.546 68.868 0.006 0.000 1.005 68 T HN 0.616 nan 8.240 nan 0.000 0.532 69 A N 2.371 125.161 122.820 -0.050 0.000 2.429 69 A HA 0.566 4.927 4.320 0.070 0.000 0.242 69 A C 0.955 178.488 177.584 -0.086 0.000 1.088 69 A CA -0.084 51.924 52.037 -0.048 0.000 0.784 69 A CB -0.078 18.904 19.000 -0.029 0.000 1.038 69 A HN 0.767 nan 8.150 nan 0.000 0.501 70 S N 0.205 115.870 115.700 -0.059 0.000 2.600 70 S HA 0.396 4.908 4.470 0.070 0.000 0.265 70 S C 1.314 175.856 174.600 -0.097 0.000 1.325 70 S CA -0.097 58.065 58.200 -0.065 0.000 1.002 70 S CB 0.882 64.059 63.200 -0.038 0.000 0.921 70 S HN 1.397 nan 8.310 nan 0.000 0.554 71 G N 0.371 109.119 108.800 -0.087 0.000 2.422 71 G HA2 0.066 4.067 3.960 0.070 0.000 0.218 71 G HA3 0.066 4.067 3.960 0.070 0.000 0.218 71 G C 1.487 176.349 174.900 -0.063 0.000 1.140 71 G CA 0.542 45.585 45.100 -0.094 0.000 0.775 71 G HN 1.121 nan 8.290 nan 0.000 0.545 72 A N 0.028 122.824 122.820 -0.041 0.000 2.070 72 A HA 0.173 4.535 4.320 0.070 0.000 0.220 72 A C 2.501 180.078 177.584 -0.011 0.000 1.159 72 A CA 1.498 53.522 52.037 -0.022 0.000 0.656 72 A CB -0.273 18.714 19.000 -0.022 0.000 0.800 72 A HN 0.239 nan 8.150 nan 0.000 0.453 73 V N -0.220 119.689 119.914 -0.009 0.000 2.346 73 V HA -0.196 3.965 4.120 0.070 0.000 0.244 73 V C 2.575 178.753 176.094 0.139 0.000 1.037 73 V CA 1.987 64.311 62.300 0.039 0.000 1.029 73 V CB -0.680 31.182 31.823 0.066 0.000 0.663 73 V HN 0.534 nan 8.190 nan 0.000 0.454 74 R N 0.224 120.738 120.500 0.022 0.000 2.096 74 R HA -0.106 4.275 4.340 0.070 0.000 0.235 74 R C 2.421 178.836 176.300 0.191 0.000 1.127 74 R CA 1.339 57.446 56.100 0.013 0.000 0.968 74 R CB -0.606 29.395 30.300 -0.498 0.000 0.861 74 R HN 0.530 nan 8.270 nan 0.000 0.440 75 A N 1.564 124.437 122.820 0.089 0.000 1.892 75 A HA -0.213 4.149 4.320 0.070 0.000 0.218 75 A C 2.099 179.749 177.584 0.110 0.000 1.188 75 A CA 1.383 53.480 52.037 0.100 0.000 0.631 75 A CB -0.433 18.592 19.000 0.042 0.000 0.822 75 A HN 0.233 nan 8.150 nan 0.000 0.447 76 R N -1.992 118.537 120.500 0.048 0.000 2.096 76 R HA -0.164 4.218 4.340 0.070 0.000 0.235 76 R C 2.029 178.312 176.300 -0.028 0.000 1.127 76 R CA 1.766 57.845 56.100 -0.035 0.000 0.968 76 R CB -0.529 29.686 30.300 -0.141 0.000 0.861 76 R HN 0.686 nan 8.270 nan 0.000 0.440 77 Y N 0.953 121.333 120.300 0.133 0.000 2.181 77 Y HA -0.170 4.422 4.550 0.069 0.000 0.288 77 Y C 2.270 178.235 175.900 0.109 0.000 1.146 77 Y CA 1.152 59.342 58.100 0.149 0.000 1.164 77 Y CB -0.340 38.298 38.460 0.297 0.000 0.982 77 Y HN -0.006 nan 8.280 nan 0.000 0.515 78 L N -0.718 120.696 121.223 0.318 0.000 2.056 78 L HA -0.186 4.196 4.340 0.070 0.000 0.207 78 L C 2.447 179.416 176.870 0.165 0.000 1.078 78 L CA 1.228 56.232 54.840 0.274 0.000 0.749 78 L CB -0.466 41.823 42.059 0.384 0.000 0.901 78 L HN 0.130 nan 8.230 nan 0.000 0.433 79 R N 0.010 120.593 120.500 0.137 0.000 2.096 79 R HA -0.114 4.268 4.340 0.070 0.000 0.235 79 R C 2.387 178.712 176.300 0.041 0.000 1.127 79 R CA 1.271 57.427 56.100 0.093 0.000 0.968 79 R CB -0.397 29.943 30.300 0.068 0.000 0.861 79 R HN 0.338 nan 8.270 nan 0.000 0.440 80 A N 1.035 123.868 122.820 0.021 0.000 1.929 80 A HA -0.087 4.274 4.320 0.070 0.000 0.216 80 A C 2.097 179.652 177.584 -0.048 0.000 1.176 80 A CA 0.972 53.006 52.037 -0.006 0.000 0.628 80 A CB -0.310 18.688 19.000 -0.004 0.000 0.816 80 A HN 0.153 nan 8.150 nan 0.000 0.444 81 I N -0.240 120.263 120.570 -0.113 0.000 2.252 81 I HA -0.254 3.958 4.170 0.070 0.000 0.245 81 I C 2.955 178.905 176.117 -0.278 0.000 1.102 81 I CA 0.991 62.112 61.300 -0.298 0.000 1.385 81 I CB -0.268 37.354 38.000 -0.630 0.000 1.064 81 I HN 0.343 nan 8.210 nan 0.000 0.414 82 A N 0.703 123.427 122.820 -0.160 0.000 1.908 82 A HA -0.195 4.167 4.320 0.070 0.000 0.218 82 A C 2.520 180.126 177.584 0.037 0.000 1.181 82 A CA 1.956 54.010 52.037 0.029 0.000 0.627 82 A CB -0.839 18.263 19.000 0.169 0.000 0.818 82 A HN 0.438 nan 8.150 nan 0.000 0.445 83 A N -0.693 122.137 122.820 0.017 0.000 1.898 83 A HA -0.095 4.267 4.320 0.070 0.000 0.216 83 A C 2.065 179.656 177.584 0.011 0.000 1.181 83 A CA 2.124 54.174 52.037 0.023 0.000 0.620 83 A CB -0.352 18.659 19.000 0.017 0.000 0.819 83 A HN 0.359 nan 8.150 nan 0.000 0.442 84 K N -0.259 120.133 120.400 -0.014 0.000 2.026 84 K HA -0.041 4.320 4.320 0.070 0.000 0.208 84 K C 1.845 178.444 176.600 -0.002 0.000 1.048 84 K CA 1.340 57.617 56.287 -0.016 0.000 0.929 84 K CB -0.840 31.636 32.500 -0.042 0.000 0.713 84 K HN 0.241 nan 8.250 nan 0.000 0.439 85 V N 0.759 120.671 119.914 -0.004 0.000 2.287 85 V HA -0.313 3.849 4.120 0.070 0.000 0.248 85 V C 1.964 178.093 176.094 0.058 0.000 1.053 85 V CA 2.417 64.740 62.300 0.038 0.000 1.027 85 V CB -0.801 31.070 31.823 0.080 0.000 0.646 85 V HN 0.415 nan 8.190 nan 0.000 0.447 86 T N -0.571 114.021 114.554 0.063 0.000 2.684 86 T HA -0.255 4.137 4.350 0.070 0.000 0.267 86 T C 1.801 176.529 174.700 0.046 0.000 1.036 86 T CA 1.856 63.994 62.100 0.063 0.000 1.148 86 T CB -0.313 68.594 68.868 0.065 0.000 0.863 86 T HN 0.582 nan 8.240 nan 0.000 0.436 87 E N 0.830 121.051 120.200 0.034 0.000 2.085 87 E HA -0.107 4.285 4.350 0.070 0.000 0.194 87 E C 1.721 178.338 176.600 0.027 0.000 0.994 87 E CA 0.976 57.392 56.400 0.027 0.000 0.801 87 E CB -0.020 29.692 29.700 0.019 0.000 0.743 87 E HN 0.416 nan 8.360 nan 0.000 0.453 88 K N 0.604 121.022 120.400 0.029 0.000 2.446 88 K HA 0.059 4.421 4.320 0.070 0.000 0.203 88 K C 1.390 178.012 176.600 0.038 0.000 1.027 88 K CA -0.124 56.180 56.287 0.029 0.000 1.166 88 K CB 0.337 32.852 32.500 0.024 0.000 0.869 88 K HN -0.013 nan 8.250 nan 0.000 0.504 89 K N 1.998 122.425 120.400 0.046 0.000 2.034 89 K HA -0.168 4.193 4.320 0.070 0.000 0.214 89 K C -1.070 175.561 176.600 0.051 0.000 1.051 89 K CA 1.669 57.990 56.287 0.057 0.000 0.931 89 K CB -0.536 32.002 32.500 0.062 0.000 0.715 89 K HN -0.036 nan 8.250 nan 0.000 0.446 90 P HA -0.189 nan 4.420 nan 0.000 0.215 90 P C 0.708 178.028 177.300 0.033 0.000 1.153 90 P CA 1.483 64.605 63.100 0.036 0.000 0.853 90 P CB -0.084 31.633 31.700 0.028 0.000 0.788 91 E N -0.209 120.008 120.200 0.029 0.000 2.107 91 E HA -0.086 4.306 4.350 0.070 0.000 0.191 91 E C 2.186 178.802 176.600 0.028 0.000 0.982 91 E CA 0.944 57.358 56.400 0.023 0.000 0.809 91 E CB -1.287 28.424 29.700 0.017 0.000 0.756 91 E HN 0.298 nan 8.360 nan 0.000 0.459 92 L N 0.993 122.238 121.223 0.036 0.000 2.027 92 L HA -0.070 4.311 4.340 0.070 0.000 0.206 92 L C 2.750 179.649 176.870 0.048 0.000 1.074 92 L CA 1.153 56.019 54.840 0.043 0.000 0.745 92 L CB -0.629 41.462 42.059 0.054 0.000 0.898 92 L HN 0.116 nan 8.230 nan 0.000 0.433 93 A N 0.138 122.993 122.820 0.057 0.000 1.917 93 A HA -0.254 4.108 4.320 0.070 0.000 0.219 93 A C 2.324 179.937 177.584 0.047 0.000 1.182 93 A CA 1.901 53.976 52.037 0.063 0.000 0.633 93 A CB -0.412 18.633 19.000 0.076 0.000 0.819 93 A HN 0.325 nan 8.150 nan 0.000 0.448 94 K N -0.628 119.794 120.400 0.037 0.000 2.057 94 K HA 0.003 4.364 4.320 0.070 0.000 0.206 94 K C 1.905 178.515 176.600 0.018 0.000 1.050 94 K CA 1.213 57.516 56.287 0.027 0.000 0.935 94 K CB -0.347 32.166 32.500 0.021 0.000 0.715 94 K HN 0.470 nan 8.250 nan 0.000 0.439 95 L N 0.747 121.980 121.223 0.018 0.000 2.083 95 L HA -0.215 4.167 4.340 0.070 0.000 0.209 95 L C 2.462 179.338 176.870 0.010 0.000 1.083 95 L CA 1.173 56.019 54.840 0.011 0.000 0.752 95 L CB -0.260 41.806 42.059 0.013 0.000 0.899 95 L HN 0.197 nan 8.230 nan 0.000 0.433 96 E N -0.195 120.017 120.200 0.019 0.000 2.031 96 E HA -0.194 4.197 4.350 0.070 0.000 0.193 96 E C 2.308 178.908 176.600 0.000 0.000 0.994 96 E CA 1.612 58.022 56.400 0.015 0.000 0.800 96 E CB -0.042 29.675 29.700 0.028 0.000 0.752 96 E HN 0.179 nan 8.360 nan 0.000 0.447 97 S N -0.490 115.214 115.700 0.006 0.000 2.370 97 S HA -0.119 4.393 4.470 0.070 0.000 0.226 97 S C 1.872 176.461 174.600 -0.018 0.000 1.033 97 S CA 1.198 59.396 58.200 -0.003 0.000 1.011 97 S CB -0.269 62.941 63.200 0.016 0.000 0.852 97 S HN 0.274 nan 8.310 nan 0.000 0.457 98 I N 0.819 121.381 120.570 -0.014 0.000 2.439 98 I HA -0.119 4.093 4.170 0.070 0.000 0.251 98 I C 2.202 178.297 176.117 -0.036 0.000 1.139 98 I CA 0.981 62.266 61.300 -0.025 0.000 1.438 98 I CB -0.186 37.804 38.000 -0.018 0.000 1.085 98 I HN 0.194 nan 8.210 nan 0.000 0.427 99 D N 0.329 120.713 120.400 -0.028 0.000 2.120 99 D HA -0.121 4.561 4.640 0.070 0.000 0.202 99 D C 2.069 178.339 176.300 -0.049 0.000 0.972 99 D CA 1.437 55.419 54.000 -0.029 0.000 0.837 99 D CB 0.171 40.966 40.800 -0.009 0.000 0.989 99 D HN 0.477 nan 8.370 nan 0.000 0.469 100 C N -2.544 116.728 119.300 -0.047 0.000 3.230 100 C HA 0.716 5.218 4.460 0.070 0.000 0.300 100 C C 1.789 176.720 174.990 -0.099 0.000 1.292 100 C CA 0.587 59.567 59.018 -0.063 0.000 1.707 100 C CB 0.300 28.041 27.740 0.001 0.000 2.181 100 C HN 0.395 nan 8.230 nan 0.000 0.655 101 G N 1.883 110.629 108.800 -0.090 0.000 2.175 101 G HA2 -0.214 3.787 3.960 0.070 0.000 0.244 101 G HA3 -0.214 3.787 3.960 0.070 0.000 0.244 101 G C -0.028 174.818 174.900 -0.089 0.000 0.982 101 G CA 0.343 45.378 45.100 -0.108 0.000 0.641 101 G HN 1.021 nan 8.290 nan 0.000 0.527 102 K N 0.668 121.016 120.400 -0.087 0.000 2.270 102 K HA 0.550 4.912 4.320 0.070 0.000 0.276 102 K C -2.566 174.026 176.600 -0.013 0.000 1.023 102 K CA -1.658 54.577 56.287 -0.087 0.000 0.955 102 K CB 0.882 33.289 32.500 -0.154 0.000 0.975 102 K HN 0.027 nan 8.250 nan 0.000 0.471 103 P HA -0.148 nan 4.420 nan 0.000 0.264 103 P C 0.510 177.863 177.300 0.088 0.000 1.179 103 P CA -0.130 63.015 63.100 0.076 0.000 0.763 103 P CB 0.339 32.108 31.700 0.116 0.000 0.806 104 L N 3.469 124.743 121.223 0.084 0.000 2.127 104 L HA -0.205 4.176 4.340 0.070 0.000 0.211 104 L C 1.421 178.363 176.870 0.120 0.000 1.089 104 L CA 2.075 56.967 54.840 0.086 0.000 0.757 104 L CB -0.912 41.188 42.059 0.068 0.000 0.899 104 L HN 0.270 nan 8.230 nan 0.000 0.434 105 D N -0.494 119.991 120.400 0.141 0.000 2.219 105 D HA -0.159 4.523 4.640 0.070 0.000 0.205 105 D C 2.048 178.519 176.300 0.286 0.000 0.970 105 D CA 1.118 55.227 54.000 0.181 0.000 0.851 105 D CB 0.077 40.980 40.800 0.173 0.000 0.943 105 D HN 0.570 nan 8.370 nan 0.000 0.488 106 E N 0.517 120.890 120.200 0.287 0.000 2.076 106 E HA -0.015 4.377 4.350 0.070 0.000 0.190 106 E C 2.126 178.897 176.600 0.284 0.000 0.979 106 E CA 0.753 57.367 56.400 0.357 0.000 0.807 106 E CB 0.007 29.850 29.700 0.238 0.000 0.761 106 E HN 0.157 nan 8.360 nan 0.000 0.454 107 A N 1.663 124.588 122.820 0.176 0.000 1.933 107 A HA -0.113 4.249 4.320 0.070 0.000 0.218 107 A C 2.389 180.079 177.584 0.176 0.000 1.175 107 A CA 1.638 53.758 52.037 0.138 0.000 0.628 107 A CB -0.579 18.471 19.000 0.084 0.000 0.814 107 A HN 0.280 nan 8.150 nan 0.000 0.444 108 A N -1.437 121.496 122.820 0.188 0.000 1.902 108 A HA -0.177 4.185 4.320 0.070 0.000 0.217 108 A C 2.010 179.750 177.584 0.261 0.000 1.181 108 A CA 1.547 53.691 52.037 0.178 0.000 0.623 108 A CB -0.813 18.267 19.000 0.132 0.000 0.818 108 A HN 0.793 nan 8.150 nan 0.000 0.443 109 W N 1.493 122.861 121.300 0.114 0.000 2.335 109 W HA -0.145 4.561 4.660 0.077 0.000 0.311 109 W C 1.377 177.972 176.519 0.126 0.000 1.213 109 W CA 1.829 59.250 57.345 0.126 0.000 1.274 109 W CB -0.841 28.721 29.460 0.170 0.000 1.148 109 W HN 0.439 nan 8.180 nan 0.000 0.498 110 D N 0.060 120.668 120.400 0.346 0.000 2.116 110 D HA -0.222 4.460 4.640 0.070 0.000 0.193 110 D C 2.148 178.563 176.300 0.191 0.000 0.998 110 D CA 2.025 56.141 54.000 0.194 0.000 0.836 110 D CB -0.618 40.268 40.800 0.143 0.000 0.951 110 D HN 0.031 nan 8.370 nan 0.000 0.449 111 I N 1.239 121.924 120.570 0.191 0.000 2.315 111 I HA -0.180 4.032 4.170 0.070 0.000 0.248 111 I C 1.686 177.916 176.117 0.188 0.000 1.117 111 I CA 1.123 62.524 61.300 0.168 0.000 1.404 111 I CB -1.010 37.071 38.000 0.135 0.000 1.071 111 I HN -0.018 nan 8.210 nan 0.000 0.419 112 D N 1.197 121.724 120.400 0.212 0.000 2.116 112 D HA -0.199 4.483 4.640 0.070 0.000 0.193 112 D C 1.744 178.183 176.300 0.231 0.000 0.998 112 D CA 1.452 55.575 54.000 0.206 0.000 0.836 112 D CB -0.191 40.731 40.800 0.204 0.000 0.951 112 D HN 0.301 nan 8.370 nan 0.000 0.449 113 D N -0.230 120.330 120.400 0.266 0.000 2.183 113 D HA -0.062 4.620 4.640 0.070 0.000 0.203 113 D C 2.312 178.743 176.300 0.220 0.000 0.969 113 D CA 0.126 54.268 54.000 0.236 0.000 0.842 113 D CB -0.177 40.749 40.800 0.210 0.000 0.957 113 D HN 0.025 nan 8.370 nan 0.000 0.484 114 V N 1.590 121.630 119.914 0.209 0.000 2.231 114 V HA -0.325 3.837 4.120 0.070 0.000 0.250 114 V C 2.549 178.862 176.094 0.366 0.000 1.058 114 V CA 2.182 64.627 62.300 0.242 0.000 1.022 114 V CB -0.917 31.055 31.823 0.248 0.000 0.640 114 V HN 0.222 nan 8.190 nan 0.000 0.445 115 A N 0.243 123.261 122.820 0.330 0.000 1.908 115 A HA -0.123 4.239 4.320 0.070 0.000 0.218 115 A C 2.417 180.191 177.584 0.317 0.000 1.181 115 A CA 2.068 54.305 52.037 0.333 0.000 0.627 115 A CB -1.314 17.815 19.000 0.215 0.000 0.818 115 A HN 0.582 nan 8.150 nan 0.000 0.445 116 G N -1.337 107.616 108.800 0.256 0.000 2.432 116 G HA2 -0.275 3.727 3.960 0.070 0.000 0.219 116 G HA3 -0.275 3.727 3.960 0.070 0.000 0.219 116 G C 1.714 176.762 174.900 0.248 0.000 1.135 116 G CA 1.245 46.483 45.100 0.230 0.000 0.767 116 G HN 0.594 nan 8.290 nan 0.000 0.550 117 C N -0.273 119.172 119.300 0.243 0.000 2.476 117 C HA 0.118 4.620 4.460 0.070 0.000 0.278 117 C C 2.551 177.724 174.990 0.306 0.000 1.274 117 C CA 0.744 59.904 59.018 0.237 0.000 1.713 117 C CB -1.161 26.682 27.740 0.172 0.000 2.039 117 C HN 0.390 nan 8.230 nan 0.000 0.484 118 F N 1.517 121.648 119.950 0.303 0.000 2.126 118 F HA -0.115 4.461 4.527 0.081 0.000 0.299 118 F C 2.431 178.374 175.800 0.238 0.000 1.096 118 F CA 2.288 60.449 58.000 0.269 0.000 1.255 118 F CB -0.686 38.429 39.000 0.192 0.000 0.997 118 F HN 0.374 nan 8.300 nan 0.000 0.479 119 E N -1.355 119.073 120.200 0.381 0.000 2.072 119 E HA -0.261 4.131 4.350 0.070 0.000 0.191 119 E C 1.984 178.697 176.600 0.189 0.000 0.985 119 E CA 1.332 57.881 56.400 0.249 0.000 0.801 119 E CB -0.441 29.383 29.700 0.206 0.000 0.750 119 E HN 0.515 nan 8.360 nan 0.000 0.452 120 Y N 0.086 120.428 120.300 0.069 0.000 2.145 120 Y HA -0.286 4.304 4.550 0.066 0.000 0.286 120 Y C 1.672 177.472 175.900 -0.167 0.000 1.145 120 Y CA 1.665 59.713 58.100 -0.086 0.000 1.148 120 Y CB -0.300 38.044 38.460 -0.193 0.000 0.981 120 Y HN 0.052 nan 8.280 nan 0.000 0.507 121 Y N -0.434 119.922 120.300 0.094 0.000 2.439 121 Y HA -0.036 4.555 4.550 0.068 0.000 0.292 121 Y C 2.501 178.402 175.900 0.001 0.000 1.130 121 Y CA 0.612 58.715 58.100 0.005 0.000 1.254 121 Y CB -0.497 38.027 38.460 0.106 0.000 1.000 121 Y HN 0.267 nan 8.280 nan 0.000 0.554 122 A N 0.306 123.225 122.820 0.166 0.000 1.873 122 A HA -0.188 4.174 4.320 0.070 0.000 0.215 122 A C 1.824 179.414 177.584 0.010 0.000 1.186 122 A CA 1.969 54.076 52.037 0.116 0.000 0.616 122 A CB -0.611 18.474 19.000 0.142 0.000 0.823 122 A HN 0.316 nan 8.150 nan 0.000 0.442 123 D N -0.244 120.117 120.400 -0.064 0.000 2.149 123 D HA -0.126 4.556 4.640 0.070 0.000 0.198 123 D C 1.669 177.866 176.300 -0.171 0.000 0.990 123 D CA 0.976 54.900 54.000 -0.125 0.000 0.839 123 D CB -0.320 40.373 40.800 -0.178 0.000 0.948 123 D HN 0.302 nan 8.370 nan 0.000 0.460 124 L N 0.595 121.671 121.223 -0.245 0.000 2.156 124 L HA 0.045 4.427 4.340 0.070 0.000 0.208 124 L C 2.318 179.152 176.870 -0.060 0.000 1.095 124 L CA 0.860 55.585 54.840 -0.192 0.000 0.770 124 L CB -0.714 41.198 42.059 -0.244 0.000 0.914 124 L HN -0.057 nan 8.230 nan 0.000 0.439 125 A N -0.959 121.853 122.820 -0.014 0.000 1.930 125 A HA -0.201 4.161 4.320 0.070 0.000 0.217 125 A C 2.226 179.789 177.584 -0.035 0.000 1.175 125 A CA 1.556 53.587 52.037 -0.009 0.000 0.627 125 A CB -0.383 18.623 19.000 0.011 0.000 0.815 125 A HN 0.471 nan 8.150 nan 0.000 0.443 126 E N -0.134 120.045 120.200 -0.036 0.000 2.028 126 E HA -0.173 4.218 4.350 0.070 0.000 0.191 126 E C 1.995 178.569 176.600 -0.044 0.000 0.988 126 E CA 1.319 57.697 56.400 -0.038 0.000 0.799 126 E CB -0.161 29.518 29.700 -0.034 0.000 0.755 126 E HN 0.546 nan 8.360 nan 0.000 0.447 127 K N 0.551 120.918 120.400 -0.055 0.000 2.211 127 K HA -0.170 4.191 4.320 0.070 0.000 0.204 127 K C 2.144 178.715 176.600 -0.048 0.000 1.047 127 K CA 0.581 56.835 56.287 -0.055 0.000 0.935 127 K CB -0.134 32.322 32.500 -0.073 0.000 0.728 127 K HN 0.049 nan 8.250 nan 0.000 0.452 128 L N 1.798 122.994 121.223 -0.045 0.000 2.083 128 L HA -0.193 4.189 4.340 0.070 0.000 0.209 128 L C 1.456 178.304 176.870 -0.036 0.000 1.083 128 L CA 1.891 56.709 54.840 -0.037 0.000 0.752 128 L CB -0.393 41.647 42.059 -0.031 0.000 0.899 128 L HN 0.115 nan 8.230 nan 0.000 0.433 129 D N 0.129 120.506 120.400 -0.039 0.000 2.133 129 D HA -0.203 4.479 4.640 0.070 0.000 0.195 129 D C 2.080 178.360 176.300 -0.033 0.000 0.997 129 D CA 1.692 55.670 54.000 -0.036 0.000 0.840 129 D CB -0.099 40.679 40.800 -0.036 0.000 0.947 129 D HN 0.531 nan 8.370 nan 0.000 0.452 130 A N 0.444 123.244 122.820 -0.034 0.000 2.119 130 A HA -0.084 4.278 4.320 0.070 0.000 0.217 130 A C 2.050 179.614 177.584 -0.032 0.000 1.153 130 A CA 0.685 52.702 52.037 -0.033 0.000 0.692 130 A CB -0.221 18.759 19.000 -0.033 0.000 0.799 130 A HN 0.098 nan 8.150 nan 0.000 0.458 131 R N -0.536 119.945 120.500 -0.032 0.000 2.297 131 R HA 0.077 4.458 4.340 0.070 0.000 0.197 131 R C 0.088 176.377 176.300 -0.018 0.000 0.943 131 R CA -0.033 56.050 56.100 -0.028 0.000 1.038 131 R CB 0.101 30.381 30.300 -0.033 0.000 0.957 131 R HN 0.486 nan 8.270 nan 0.000 0.484 132 Q N 1.065 120.854 119.800 -0.018 0.000 2.454 132 Q HA 0.020 4.401 4.340 0.070 0.000 0.247 132 Q C 0.064 176.059 176.000 -0.009 0.000 1.028 132 Q CA 0.313 56.113 55.803 -0.006 0.000 0.910 132 Q CB 0.611 29.343 28.738 -0.011 0.000 1.276 132 Q HN 0.005 nan 8.270 nan 0.000 0.489 133 K N -0.759 119.655 120.400 0.023 0.000 3.035 133 K HA -0.228 4.134 4.320 0.070 0.000 0.262 133 K C -0.643 175.949 176.600 -0.013 0.000 1.024 133 K CA 0.477 56.757 56.287 -0.013 0.000 0.748 133 K CB -1.290 31.094 32.500 -0.194 0.000 1.247 133 K HN 0.724 nan 8.250 nan 0.000 0.482 134 A N 1.799 124.642 122.820 0.039 0.000 2.491 134 A HA 0.223 4.585 4.320 0.070 0.000 0.261 134 A C -1.780 175.847 177.584 0.071 0.000 1.101 134 A CA -0.843 51.211 52.037 0.028 0.000 0.772 134 A CB -0.042 18.967 19.000 0.015 0.000 1.043 134 A HN 0.083 nan 8.150 nan 0.000 0.501 135 P HA 0.231 nan 4.420 nan 0.000 0.271 135 P C -0.605 176.730 177.300 0.058 0.000 1.216 135 P CA -0.016 63.130 63.100 0.077 0.000 0.776 135 P CB 1.012 32.735 31.700 0.037 0.000 0.881 136 V N 2.491 122.444 119.914 0.066 0.000 2.398 136 V HA 0.218 4.379 4.120 0.070 0.000 0.286 136 V C 0.829 176.945 176.094 0.037 0.000 1.026 136 V CA -0.380 61.941 62.300 0.036 0.000 0.868 136 V CB 1.375 33.210 31.823 0.020 0.000 0.982 136 V HN 0.580 nan 8.190 nan 0.000 0.443 137 S N 4.968 120.683 115.700 0.025 0.000 2.448 137 S HA 0.553 5.065 4.470 0.070 0.000 0.279 137 S C -0.577 174.040 174.600 0.028 0.000 1.195 137 S CA -0.440 57.777 58.200 0.028 0.000 1.051 137 S CB 0.009 63.220 63.200 0.019 0.000 0.948 137 S HN 0.435 nan 8.310 nan 0.000 0.493 138 L N 7.064 128.313 121.223 0.043 0.000 2.322 138 L HA 0.546 4.928 4.340 0.070 0.000 0.279 138 L C -1.337 175.566 176.870 0.054 0.000 1.036 138 L CA -1.695 53.174 54.840 0.049 0.000 0.807 138 L CB 1.084 43.191 42.059 0.081 0.000 1.226 138 L HN 0.487 nan 8.230 nan 0.000 0.433 139 P HA 0.151 nan 4.420 nan 0.000 0.255 139 P C -0.657 176.689 177.300 0.077 0.000 1.357 139 P CA 0.399 63.529 63.100 0.050 0.000 0.839 139 P CB 0.183 31.903 31.700 0.035 0.000 1.356 140 M N 0.364 120.031 119.600 0.111 0.000 2.324 140 M HA 0.136 4.657 4.480 0.070 0.000 0.288 140 M C -0.129 176.265 176.300 0.156 0.000 1.097 140 M CA -0.554 54.840 55.300 0.158 0.000 0.928 140 M CB 2.642 35.396 32.600 0.257 0.000 1.648 140 M HN -0.284 nan 8.290 nan 0.000 0.460 141 D N -0.816 119.650 120.400 0.110 0.000 2.349 141 D HA -0.080 4.602 4.640 0.070 0.000 0.224 141 D C 1.294 177.614 176.300 0.034 0.000 1.029 141 D CA 0.780 54.819 54.000 0.066 0.000 0.879 141 D CB -0.083 40.738 40.800 0.035 0.000 0.906 141 D HN 0.676 nan 8.370 nan 0.000 0.528 142 T N -3.488 111.107 114.554 0.069 0.000 3.100 142 T HA 0.192 4.583 4.350 0.070 0.000 0.253 142 T C 0.142 174.655 174.700 -0.311 0.000 1.118 142 T CA -0.180 61.856 62.100 -0.107 0.000 1.058 142 T CB -0.360 68.497 68.868 -0.018 0.000 0.953 142 T HN 0.028 nan 8.240 nan 0.000 0.515 143 F N 0.405 120.396 119.950 0.068 0.000 2.577 143 F HA 0.698 5.267 4.527 0.070 0.000 0.318 143 F C 0.115 175.939 175.800 0.040 0.000 1.065 143 F CA -1.326 56.718 58.000 0.072 0.000 0.929 143 F CB 1.995 41.053 39.000 0.097 0.000 1.237 143 F HN -0.295 nan 8.300 nan 0.000 0.468 144 K N 1.143 121.684 120.400 0.235 0.000 2.375 144 K HA 0.686 5.048 4.320 0.070 0.000 0.249 144 K C -1.392 175.302 176.600 0.157 0.000 0.942 144 K CA -0.434 55.948 56.287 0.158 0.000 0.806 144 K CB 2.272 34.839 32.500 0.111 0.000 1.227 144 K HN 0.674 nan 8.250 nan 0.000 0.430 145 S N 1.549 117.324 115.700 0.125 0.000 2.546 145 S HA 0.632 5.144 4.470 0.070 0.000 0.274 145 S C -1.605 173.066 174.600 0.119 0.000 1.121 145 S CA -0.615 57.624 58.200 0.065 0.000 0.887 145 S CB 0.715 63.925 63.200 0.018 0.000 1.094 145 S HN 0.834 nan 8.310 nan 0.000 0.474 146 H N -0.714 118.365 119.070 0.014 0.000 2.966 146 H HA 0.830 5.428 4.556 0.069 0.000 0.330 146 H C -1.576 173.750 175.328 -0.003 0.000 1.292 146 H CA -1.125 54.925 56.048 0.003 0.000 1.127 146 H CB 0.821 30.585 29.762 0.003 0.000 1.863 146 H HN 0.413 nan 8.280 nan 0.000 0.543 147 V N 1.613 121.604 119.914 0.127 0.000 2.555 147 V HA 0.359 4.520 4.120 0.070 0.000 0.302 147 V C -0.483 175.679 176.094 0.113 0.000 1.038 147 V CA -0.739 61.591 62.300 0.049 0.000 0.887 147 V CB 1.523 33.361 31.823 0.026 0.000 0.991 147 V HN 0.549 nan 8.190 nan 0.000 0.434 148 L N 4.961 126.221 121.223 0.063 0.000 2.334 148 L HA 0.659 5.041 4.340 0.070 0.000 0.276 148 L C -0.040 176.847 176.870 0.028 0.000 1.014 148 L CA -0.717 54.162 54.840 0.064 0.000 0.815 148 L CB 1.844 43.940 42.059 0.062 0.000 1.268 148 L HN 0.501 nan 8.230 nan 0.000 0.428 149 R N 2.532 123.045 120.500 0.022 0.000 2.275 149 R HA 0.385 4.767 4.340 0.070 0.000 0.326 149 R C -0.944 175.364 176.300 0.012 0.000 0.973 149 R CA -0.443 55.664 56.100 0.013 0.000 0.854 149 R CB 1.417 31.721 30.300 0.006 0.000 1.156 149 R HN 0.606 nan 8.270 nan 0.000 0.487 150 E N 3.261 123.472 120.200 0.018 0.000 2.235 150 E HA 0.337 4.729 4.350 0.070 0.000 0.265 150 E C -2.483 174.137 176.600 0.033 0.000 0.940 150 E CA -2.498 53.914 56.400 0.019 0.000 0.819 150 E CB 1.468 31.180 29.700 0.021 0.000 1.206 150 E HN 0.165 nan 8.360 nan 0.000 0.409 151 P HA -0.045 nan 4.420 nan 0.000 0.264 151 P C 0.322 177.670 177.300 0.080 0.000 1.183 151 P CA 0.413 63.554 63.100 0.067 0.000 0.763 151 P CB 0.465 32.206 31.700 0.067 0.000 0.807 152 I N 1.455 122.090 120.570 0.109 0.000 2.614 152 I HA -0.083 4.128 4.170 0.070 0.000 0.258 152 I C 1.140 177.314 176.117 0.094 0.000 1.189 152 I CA 1.778 63.136 61.300 0.097 0.000 1.462 152 I CB -0.455 37.609 38.000 0.106 0.000 1.092 152 I HN 0.692 nan 8.210 nan 0.000 0.442 153 G N -0.365 108.499 108.800 0.107 0.000 2.541 153 G HA2 -0.183 3.819 3.960 0.070 0.000 0.208 153 G HA3 -0.183 3.819 3.960 0.070 0.000 0.208 153 G C -0.554 174.400 174.900 0.090 0.000 1.191 153 G CA -0.196 44.958 45.100 0.089 0.000 1.217 153 G HN -0.006 nan 8.290 nan 0.000 0.566 154 V N 2.214 122.167 119.914 0.065 0.000 2.368 154 V HA 0.520 4.682 4.120 0.070 0.000 0.266 154 V C 0.803 176.933 176.094 0.062 0.000 1.045 154 V CA 0.131 62.456 62.300 0.042 0.000 0.899 154 V CB 0.607 32.430 31.823 -0.002 0.000 1.006 154 V HN 1.404 nan 8.190 nan 0.000 0.470 155 V N 2.655 122.616 119.914 0.078 0.000 2.483 155 V HA 0.928 5.090 4.120 0.070 0.000 0.295 155 V C 0.521 176.667 176.094 0.086 0.000 1.035 155 V CA -0.535 61.837 62.300 0.121 0.000 0.896 155 V CB 1.432 33.391 31.823 0.225 0.000 0.986 155 V HN 0.767 nan 8.190 nan 0.000 0.447 156 G N 4.674 113.534 108.800 0.099 0.000 2.319 156 G HA2 0.598 4.599 3.960 0.070 0.000 0.308 156 G HA3 0.598 4.599 3.960 0.070 0.000 0.308 156 G C -1.019 173.959 174.900 0.129 0.000 1.117 156 G CA -0.478 44.677 45.100 0.091 0.000 0.903 156 G HN 0.554 nan 8.290 nan 0.000 0.436 157 L N 3.471 124.760 121.223 0.111 0.000 2.316 157 L HA 0.514 4.895 4.340 0.070 0.000 0.280 157 L C -0.068 176.866 176.870 0.107 0.000 1.006 157 L CA -0.944 53.968 54.840 0.121 0.000 0.836 157 L CB 1.260 43.369 42.059 0.083 0.000 1.221 157 L HN 0.408 nan 8.230 nan 0.000 0.418 158 I N 3.099 123.750 120.570 0.134 0.000 2.410 158 I HA 0.509 4.721 4.170 0.070 0.000 0.286 158 I C 0.056 176.171 176.117 -0.003 0.000 1.009 158 I CA -0.295 61.087 61.300 0.138 0.000 1.111 158 I CB 2.028 40.207 38.000 0.298 0.000 1.262 158 I HN 0.628 nan 8.210 nan 0.000 0.443 159 T N 3.799 118.325 114.554 -0.046 0.000 2.916 159 T HA 0.727 5.119 4.350 0.070 0.000 0.292 159 T C -2.860 171.744 174.700 -0.160 0.000 1.055 159 T CA -1.997 60.012 62.100 -0.151 0.000 1.009 159 T CB 2.489 71.299 68.868 -0.096 0.000 1.118 159 T HN 0.221 nan 8.240 nan 0.000 0.497 160 P HA 0.366 nan 4.420 nan 0.000 0.289 160 P C 0.583 177.747 177.300 -0.227 0.000 1.300 160 P CA -0.925 61.986 63.100 -0.315 0.000 0.828 160 P CB 1.133 32.523 31.700 -0.517 0.000 1.235 161 W N 0.608 121.868 121.300 -0.067 0.000 3.077 161 W HA 0.038 4.750 4.660 0.087 0.000 0.266 161 W C 0.781 177.209 176.519 -0.152 0.000 1.300 161 W CA 0.227 57.522 57.345 -0.084 0.000 1.586 161 W CB -1.476 27.946 29.460 -0.063 0.000 1.103 161 W HN 0.218 nan 8.180 nan 0.000 0.652 162 N N 1.578 120.048 118.700 -0.384 0.000 2.396 162 N HA -0.193 4.588 4.740 0.070 0.000 0.180 162 N C -0.441 174.583 175.510 -0.809 0.000 1.028 162 N CA 0.828 53.579 53.050 -0.499 0.000 0.893 162 N CB -1.124 36.861 38.487 -0.836 0.000 0.967 162 N HN 0.231 nan 8.380 nan 0.000 0.440 163 Y N -0.651 119.485 120.300 -0.273 0.000 2.628 163 Y HA 0.423 5.016 4.550 0.072 0.000 0.354 163 Y C -1.922 173.846 175.900 -0.220 0.000 1.061 163 Y CA -2.046 55.886 58.100 -0.279 0.000 1.251 163 Y CB 1.969 40.166 38.460 -0.439 0.000 1.098 163 Y HN -0.114 nan 8.280 nan 0.000 0.626 164 P HA -0.230 nan 4.420 nan 0.000 0.211 164 P C 1.901 179.192 177.300 -0.015 0.000 1.179 164 P CA 1.674 64.772 63.100 -0.002 0.000 0.910 164 P CB 0.379 32.096 31.700 0.030 0.000 0.785 165 M N -1.693 117.910 119.600 0.005 0.000 2.156 165 M HA -0.103 4.419 4.480 0.070 0.000 0.264 165 M C 1.923 178.212 176.300 -0.019 0.000 1.067 165 M CA 1.458 56.772 55.300 0.023 0.000 1.131 165 M CB -0.595 32.043 32.600 0.063 0.000 1.368 165 M HN -0.138 nan 8.290 nan 0.000 0.416 166 L N 0.483 121.657 121.223 -0.082 0.000 2.046 166 L HA -0.191 4.191 4.340 0.070 0.000 0.208 166 L C 2.142 178.715 176.870 -0.494 0.000 1.077 166 L CA 1.785 56.485 54.840 -0.234 0.000 0.747 166 L CB -0.501 41.382 42.059 -0.293 0.000 0.896 166 L HN 0.318 nan 8.230 nan 0.000 0.432 167 M N -1.113 118.211 119.600 -0.459 0.000 2.200 167 M HA -0.051 4.471 4.480 0.070 0.000 0.265 167 M C 2.375 178.559 176.300 -0.193 0.000 1.066 167 M CA 1.485 56.499 55.300 -0.478 0.000 1.127 167 M CB -1.495 30.895 32.600 -0.350 0.000 1.379 167 M HN 0.397 nan 8.290 nan 0.000 0.420 168 A N -0.040 122.713 122.820 -0.110 0.000 1.902 168 A HA -0.140 4.222 4.320 0.070 0.000 0.217 168 A C 2.327 179.903 177.584 -0.012 0.000 1.181 168 A CA 2.285 54.305 52.037 -0.028 0.000 0.623 168 A CB -1.096 17.910 19.000 0.010 0.000 0.818 168 A HN 0.458 nan 8.150 nan 0.000 0.443 169 T N -1.521 113.014 114.554 -0.032 0.000 2.777 169 T HA -0.173 4.219 4.350 0.070 0.000 0.266 169 T C 1.492 176.165 174.700 -0.045 0.000 1.040 169 T CA 1.319 63.351 62.100 -0.112 0.000 1.141 169 T CB -0.368 68.423 68.868 -0.127 0.000 0.868 169 T HN 0.653 nan 8.240 nan 0.000 0.444 170 W N 2.073 123.263 121.300 -0.184 0.000 2.313 170 W HA -0.065 4.613 4.660 0.030 0.000 0.293 170 W C 2.235 178.673 176.519 -0.135 0.000 1.216 170 W CA 0.684 57.944 57.345 -0.142 0.000 1.223 170 W CB -0.463 28.917 29.460 -0.133 0.000 1.138 170 W HN 0.328 nan 8.180 nan 0.000 0.535 171 K N -1.232 119.236 120.400 0.114 0.000 2.141 171 K HA -0.002 4.360 4.320 0.070 0.000 0.202 171 K C 1.929 178.419 176.600 -0.183 0.000 1.045 171 K CA 0.890 57.205 56.287 0.047 0.000 0.971 171 K CB -0.518 32.049 32.500 0.112 0.000 0.795 171 K HN -0.169 nan 8.250 nan 0.000 0.459 172 V N 1.793 121.627 119.914 -0.133 0.000 2.295 172 V HA -0.261 3.901 4.120 0.070 0.000 0.246 172 V C 2.332 178.331 176.094 -0.160 0.000 1.049 172 V CA 2.174 64.402 62.300 -0.119 0.000 1.024 172 V CB -0.664 31.177 31.823 0.030 0.000 0.648 172 V HN 0.351 nan 8.190 nan 0.000 0.447 173 A N 0.690 123.336 122.820 -0.291 0.000 1.865 173 A HA -0.144 4.218 4.320 0.070 0.000 0.217 173 A C 0.570 177.950 177.584 -0.339 0.000 1.191 173 A CA 2.322 54.185 52.037 -0.291 0.000 0.623 173 A CB -1.960 16.754 19.000 -0.477 0.000 0.826 173 A HN 0.571 nan 8.150 nan 0.000 0.444 174 P HA -0.010 nan 4.420 nan 0.000 0.217 174 P C 1.681 178.800 177.300 -0.302 0.000 1.151 174 P CA 1.732 64.465 63.100 -0.611 0.000 0.828 174 P CB -0.154 31.221 31.700 -0.541 0.000 0.788 175 A N -0.102 122.328 122.820 -0.650 0.000 1.908 175 A HA -0.158 4.204 4.320 0.070 0.000 0.218 175 A C 2.234 179.735 177.584 -0.138 0.000 1.181 175 A CA 1.490 53.087 52.037 -0.734 0.000 0.627 175 A CB -1.647 16.740 19.000 -1.020 0.000 0.818 175 A HN 0.104 nan 8.150 nan 0.000 0.445 176 L N -1.104 120.125 121.223 0.010 0.000 2.109 176 L HA -0.113 4.268 4.340 0.070 0.000 0.207 176 L C 3.067 180.081 176.870 0.240 0.000 1.086 176 L CA 0.958 56.010 54.840 0.353 0.000 0.760 176 L CB -0.721 41.613 42.059 0.459 0.000 0.910 176 L HN 0.439 nan 8.230 nan 0.000 0.437 177 A N 0.356 123.246 122.820 0.117 0.000 2.024 177 A HA -0.135 4.226 4.320 0.070 0.000 0.220 177 A C 2.323 179.898 177.584 -0.015 0.000 1.164 177 A CA 1.718 53.792 52.037 0.062 0.000 0.643 177 A CB -0.468 18.618 19.000 0.144 0.000 0.806 177 A HN 0.408 nan 8.150 nan 0.000 0.451 178 A N -2.026 120.803 122.820 0.015 0.000 2.251 178 A HA 0.423 4.784 4.320 0.070 0.000 0.209 178 A C 1.733 179.300 177.584 -0.028 0.000 1.187 178 A CA 1.142 53.195 52.037 0.026 0.000 0.823 178 A CB -0.808 18.268 19.000 0.126 0.000 0.846 178 A HN 1.881 nan 8.150 nan 0.000 0.486 179 G N -1.725 107.013 108.800 -0.103 0.000 2.132 179 G HA2 -0.259 3.743 3.960 0.070 0.000 0.234 179 G HA3 -0.259 3.743 3.960 0.070 0.000 0.234 179 G C 0.308 175.289 174.900 0.134 0.000 0.989 179 G CA 0.082 45.041 45.100 -0.235 0.000 0.676 179 G HN 0.562 nan 8.290 nan 0.000 0.522 180 C N 0.280 119.723 119.300 0.238 0.000 2.470 180 C HA 0.829 5.330 4.460 0.070 0.000 0.350 180 C C 1.134 176.302 174.990 0.297 0.000 1.341 180 C CA 0.400 59.555 59.018 0.229 0.000 2.440 180 C CB 1.049 28.873 27.740 0.140 0.000 2.295 180 C HN 1.339 nan 8.230 nan 0.000 0.645 181 A N 0.576 123.478 122.820 0.135 0.000 2.343 181 A HA 0.781 5.143 4.320 0.070 0.000 0.316 181 A C -0.497 177.084 177.584 -0.005 0.000 1.104 181 A CA -0.212 51.835 52.037 0.016 0.000 0.768 181 A CB 0.752 19.736 19.000 -0.027 0.000 1.213 181 A HN 1.281 nan 8.150 nan 0.000 0.456 182 A N 2.030 124.827 122.820 -0.038 0.000 2.337 182 A HA 0.787 5.148 4.320 0.070 0.000 0.329 182 A C -0.851 176.720 177.584 -0.021 0.000 1.146 182 A CA -0.432 51.592 52.037 -0.022 0.000 0.800 182 A CB 0.539 19.517 19.000 -0.037 0.000 1.220 182 A HN 0.720 nan 8.150 nan 0.000 0.472 183 I N 2.092 122.661 120.570 -0.002 0.000 2.354 183 I HA 0.293 4.504 4.170 0.070 0.000 0.286 183 I C -0.566 175.572 176.117 0.035 0.000 1.007 183 I CA -0.267 61.037 61.300 0.008 0.000 1.167 183 I CB 1.580 39.576 38.000 -0.007 0.000 1.320 183 I HN 0.542 nan 8.210 nan 0.000 0.458 184 L N 7.614 128.863 121.223 0.044 0.000 2.265 184 L HA 0.479 4.861 4.340 0.070 0.000 0.288 184 L C -0.275 176.634 176.870 0.066 0.000 1.058 184 L CA -0.011 54.862 54.840 0.055 0.000 0.809 184 L CB 0.362 42.453 42.059 0.054 0.000 1.179 184 L HN 0.345 nan 8.230 nan 0.000 0.429 185 K N 7.291 127.733 120.400 0.071 0.000 2.419 185 K HA 0.499 4.861 4.320 0.070 0.000 0.244 185 K C -2.695 173.949 176.600 0.073 0.000 1.045 185 K CA -2.192 54.141 56.287 0.077 0.000 1.004 185 K CB 1.009 33.561 32.500 0.086 0.000 1.376 185 K HN 0.349 nan 8.250 nan 0.000 0.460 186 P HA 0.085 nan 4.420 nan 0.000 0.276 186 P C -0.322 177.024 177.300 0.077 0.000 1.261 186 P CA -0.459 62.677 63.100 0.060 0.000 0.800 186 P CB 0.631 32.368 31.700 0.063 0.000 1.066 187 S N 0.720 116.473 115.700 0.088 0.000 2.549 187 S HA -0.011 4.501 4.470 0.070 0.000 0.286 187 S C 1.439 176.108 174.600 0.114 0.000 1.314 187 S CA -0.374 57.907 58.200 0.136 0.000 1.062 187 S CB -0.132 63.213 63.200 0.242 0.000 0.865 187 S HN 0.494 nan 8.310 nan 0.000 0.498 188 E N 5.142 125.400 120.200 0.098 0.000 2.409 188 E HA -0.132 4.259 4.350 0.070 0.000 0.198 188 E C 1.382 178.002 176.600 0.033 0.000 1.024 188 E CA 0.920 57.356 56.400 0.060 0.000 0.861 188 E CB -0.292 29.437 29.700 0.048 0.000 0.788 188 E HN 0.783 nan 8.360 nan 0.000 0.521 189 L N 0.133 121.380 121.223 0.040 0.000 2.418 189 L HA 0.195 4.577 4.340 0.070 0.000 0.218 189 L C 1.151 178.007 176.870 -0.024 0.000 1.125 189 L CA 0.701 55.506 54.840 -0.058 0.000 0.835 189 L CB 0.093 41.997 42.059 -0.258 0.000 0.953 189 L HN 0.100 nan 8.230 nan 0.000 0.454 190 A N -1.115 121.743 122.820 0.064 0.000 3.124 190 A HA 0.438 4.799 4.320 0.070 0.000 0.295 190 A C 0.337 177.960 177.584 0.064 0.000 1.199 190 A CA -0.344 51.729 52.037 0.060 0.000 0.845 190 A CB 0.395 19.451 19.000 0.093 0.000 1.381 190 A HN 0.003 nan 8.150 nan 0.000 0.537 191 S N 0.696 116.425 115.700 0.048 0.000 2.540 191 S HA 0.134 4.646 4.470 0.070 0.000 0.218 191 S C 1.582 176.210 174.600 0.046 0.000 0.977 191 S CA -0.047 58.185 58.200 0.053 0.000 0.918 191 S CB -0.183 63.052 63.200 0.058 0.000 0.806 191 S HN 0.658 nan 8.310 nan 0.000 0.496 192 L N 1.739 122.981 121.223 0.031 0.000 1.994 192 L HA -0.120 4.261 4.340 0.070 0.000 0.208 192 L C 3.006 179.895 176.870 0.032 0.000 1.071 192 L CA 1.744 56.597 54.840 0.022 0.000 0.745 192 L CB -1.358 40.705 42.059 0.007 0.000 0.892 192 L HN 0.433 nan 8.230 nan 0.000 0.431 193 T N -3.680 110.895 114.554 0.035 0.000 2.867 193 T HA -0.172 4.220 4.350 0.070 0.000 0.268 193 T C 1.940 176.670 174.700 0.051 0.000 1.057 193 T CA 1.149 63.273 62.100 0.041 0.000 1.136 193 T CB -0.894 68.000 68.868 0.044 0.000 0.874 193 T HN 0.315 nan 8.240 nan 0.000 0.466 194 C N 0.827 120.159 119.300 0.054 0.000 2.446 194 C HA 0.231 4.732 4.460 0.070 0.000 0.277 194 C C 2.773 177.804 174.990 0.069 0.000 1.275 194 C CA 0.129 59.183 59.018 0.060 0.000 1.727 194 C CB -1.470 26.307 27.740 0.061 0.000 2.010 194 C HN 0.552 nan 8.230 nan 0.000 0.486 195 L N 0.672 121.953 121.223 0.096 0.000 2.079 195 L HA -0.156 4.226 4.340 0.070 0.000 0.210 195 L C 2.642 179.625 176.870 0.187 0.000 1.081 195 L CA 1.323 56.265 54.840 0.171 0.000 0.752 195 L CB -0.643 41.503 42.059 0.144 0.000 0.896 195 L HN 0.311 nan 8.230 nan 0.000 0.433 196 E N -0.152 120.105 120.200 0.095 0.000 2.268 196 E HA -0.194 4.198 4.350 0.070 0.000 0.195 196 E C 2.101 178.711 176.600 0.017 0.000 0.995 196 E CA 0.786 57.229 56.400 0.071 0.000 0.836 196 E CB -0.237 29.486 29.700 0.039 0.000 0.763 196 E HN 0.295 nan 8.360 nan 0.000 0.491 197 L N 0.756 121.971 121.223 -0.012 0.000 2.131 197 L HA -0.045 4.336 4.340 0.070 0.000 0.210 197 L C 2.073 178.777 176.870 -0.277 0.000 1.092 197 L CA 1.973 56.763 54.840 -0.084 0.000 0.759 197 L CB -0.925 41.124 42.059 -0.017 0.000 0.903 197 L HN 0.116 nan 8.230 nan 0.000 0.435 198 G N -0.948 107.622 108.800 -0.384 0.000 2.514 198 G HA2 -0.397 3.605 3.960 0.070 0.000 0.217 198 G HA3 -0.397 3.605 3.960 0.070 0.000 0.217 198 G C 1.475 175.757 174.900 -1.030 0.000 1.198 198 G CA 0.972 45.359 45.100 -1.188 0.000 0.780 198 G HN 0.455 nan 8.290 nan 0.000 0.565 199 E N 0.575 120.663 120.200 -0.186 0.000 2.118 199 E HA -0.098 4.293 4.350 0.070 0.000 0.195 199 E C 2.441 178.989 176.600 -0.088 0.000 0.992 199 E CA 0.929 57.362 56.400 0.056 0.000 0.804 199 E CB -0.385 29.456 29.700 0.235 0.000 0.741 199 E HN 0.562 nan 8.360 nan 0.000 0.458 200 I N -0.367 120.123 120.570 -0.133 0.000 2.315 200 I HA -0.316 3.896 4.170 0.070 0.000 0.248 200 I C 2.232 178.262 176.117 -0.145 0.000 1.117 200 I CA 0.684 61.914 61.300 -0.116 0.000 1.404 200 I CB -0.236 37.693 38.000 -0.118 0.000 1.071 200 I HN 0.269 nan 8.210 nan 0.000 0.419 201 C N 0.733 119.882 119.300 -0.251 0.000 2.429 201 C HA -0.141 4.361 4.460 0.070 0.000 0.277 201 C C 2.763 177.707 174.990 -0.076 0.000 1.262 201 C CA 0.745 59.650 59.018 -0.188 0.000 1.733 201 C CB -0.884 26.705 27.740 -0.251 0.000 2.010 201 C HN 0.420 nan 8.230 nan 0.000 0.483 202 K N 0.735 121.081 120.400 -0.090 0.000 2.032 202 K HA -0.191 4.171 4.320 0.070 0.000 0.209 202 K C 1.911 178.523 176.600 0.021 0.000 1.048 202 K CA 1.645 57.942 56.287 0.017 0.000 0.927 202 K CB -0.249 32.272 32.500 0.036 0.000 0.712 202 K HN 0.592 nan 8.250 nan 0.000 0.441 203 E N 0.088 120.292 120.200 0.007 0.000 2.204 203 E HA -0.132 4.260 4.350 0.070 0.000 0.194 203 E C 1.748 178.363 176.600 0.024 0.000 0.989 203 E CA 0.771 57.183 56.400 0.020 0.000 0.824 203 E CB 0.204 29.912 29.700 0.013 0.000 0.756 203 E HN 0.042 nan 8.360 nan 0.000 0.477 204 V N -0.307 119.622 119.914 0.024 0.000 3.235 204 V HA 0.046 4.208 4.120 0.070 0.000 0.259 204 V C 1.332 177.509 176.094 0.138 0.000 1.133 204 V CA 1.022 63.360 62.300 0.064 0.000 1.128 204 V CB 0.232 32.090 31.823 0.057 0.000 0.757 204 V HN 0.502 nan 8.190 nan 0.000 0.469 205 G N 0.743 109.609 108.800 0.110 0.000 2.160 205 G HA2 -0.238 3.764 3.960 0.070 0.000 0.244 205 G HA3 -0.238 3.764 3.960 0.070 0.000 0.244 205 G C -0.054 174.937 174.900 0.151 0.000 1.022 205 G CA 0.275 45.457 45.100 0.137 0.000 0.741 205 G HN 0.408 nan 8.290 nan 0.000 0.508 206 L N 1.370 122.601 121.223 0.013 0.000 2.540 206 L HA 0.426 4.808 4.340 0.070 0.000 0.276 206 L C -1.325 175.340 176.870 -0.341 0.000 1.212 206 L CA -0.985 53.659 54.840 -0.326 0.000 0.893 206 L CB 0.078 41.952 42.059 -0.308 0.000 1.138 206 L HN 0.024 nan 8.230 nan 0.000 0.491 207 P HA 0.031 nan 4.420 nan 0.000 0.262 207 P C -2.498 174.614 177.300 -0.313 0.000 1.182 207 P CA -0.632 62.277 63.100 -0.318 0.000 0.761 207 P CB -0.291 31.221 31.700 -0.314 0.000 0.795 208 P HA -0.006 nan 4.420 nan 0.000 0.263 208 P C 0.949 178.104 177.300 -0.243 0.000 1.195 208 P CA 1.002 63.963 63.100 -0.232 0.000 0.762 208 P CB 0.285 31.875 31.700 -0.183 0.000 0.799 209 G N 2.002 110.638 108.800 -0.274 0.000 2.232 209 G HA2 -0.301 3.701 3.960 0.070 0.000 0.226 209 G HA3 -0.301 3.701 3.960 0.070 0.000 0.226 209 G C 0.908 175.662 174.900 -0.244 0.000 0.996 209 G CA 0.106 45.066 45.100 -0.233 0.000 0.626 209 G HN 0.377 nan 8.290 nan 0.000 0.509 210 V N -0.055 119.644 119.914 -0.359 0.000 2.407 210 V HA 0.189 4.351 4.120 0.070 0.000 0.248 210 V C 1.106 177.006 176.094 -0.324 0.000 1.055 210 V CA 2.144 64.138 62.300 -0.511 0.000 1.049 210 V CB -0.029 31.141 31.823 -1.089 0.000 0.662 210 V HN 0.607 nan 8.190 nan 0.000 0.455 211 L N 0.853 121.946 121.223 -0.217 0.000 2.441 211 L HA 0.522 4.903 4.340 0.070 0.000 0.270 211 L C -1.036 175.854 176.870 0.033 0.000 0.973 211 L CA -0.355 54.444 54.840 -0.070 0.000 0.842 211 L CB 1.528 43.565 42.059 -0.036 0.000 1.239 211 L HN 0.159 nan 8.230 nan 0.000 0.406 212 N N 5.810 124.517 118.700 0.012 0.000 2.392 212 N HA 0.654 5.436 4.740 0.070 0.000 0.283 212 N C -1.154 174.414 175.510 0.095 0.000 1.003 212 N CA -0.382 52.686 53.050 0.030 0.000 0.892 212 N CB 1.987 40.437 38.487 -0.061 0.000 1.193 212 N HN 0.485 nan 8.380 nan 0.000 0.487 213 I N 2.408 123.087 120.570 0.182 0.000 2.328 213 I HA 0.262 4.473 4.170 0.070 0.000 0.287 213 I C -0.994 175.211 176.117 0.146 0.000 1.012 213 I CA -0.657 60.736 61.300 0.156 0.000 1.195 213 I CB 0.789 38.887 38.000 0.162 0.000 1.350 213 I HN 0.245 nan 8.210 nan 0.000 0.464 214 L N 6.468 127.753 121.223 0.103 0.000 2.295 214 L HA 0.405 4.786 4.340 0.070 0.000 0.281 214 L C 0.274 177.199 176.870 0.091 0.000 1.018 214 L CA 0.124 55.020 54.840 0.093 0.000 0.841 214 L CB 1.510 43.608 42.059 0.066 0.000 1.218 214 L HN 0.486 nan 8.230 nan 0.000 0.424 215 T N 2.099 116.713 114.554 0.100 0.000 2.909 215 T HA 0.834 5.226 4.350 0.070 0.000 0.289 215 T C 0.294 175.037 174.700 0.072 0.000 1.005 215 T CA 0.169 62.321 62.100 0.086 0.000 1.084 215 T CB 1.376 70.298 68.868 0.090 0.000 0.975 215 T HN 0.855 nan 8.240 nan 0.000 0.509 216 G N 1.162 110.001 108.800 0.065 0.000 2.359 216 G HA2 0.329 4.330 3.960 0.070 0.000 0.293 216 G HA3 0.329 4.330 3.960 0.070 0.000 0.293 216 G C -2.003 172.931 174.900 0.056 0.000 1.300 216 G CA -1.124 44.010 45.100 0.055 0.000 0.888 216 G HN 0.613 nan 8.290 nan 0.000 0.541 217 L N 1.843 123.094 121.223 0.048 0.000 2.456 217 L HA 0.454 4.836 4.340 0.070 0.000 0.272 217 L C 2.178 179.082 176.870 0.056 0.000 1.189 217 L CA 1.327 56.195 54.840 0.047 0.000 0.846 217 L CB 0.680 42.760 42.059 0.035 0.000 1.111 217 L HN 1.070 nan 8.230 nan 0.000 0.475 218 G N 4.109 112.947 108.800 0.063 0.000 2.586 218 G HA2 -0.226 3.775 3.960 0.070 0.000 0.218 218 G HA3 -0.226 3.775 3.960 0.070 0.000 0.218 218 G C -0.925 174.007 174.900 0.054 0.000 1.216 218 G CA 0.850 45.993 45.100 0.072 0.000 0.786 218 G HN 0.672 nan 8.290 nan 0.000 0.583 219 P HA 0.077 nan 4.420 nan 0.000 0.223 219 P C 1.477 178.796 177.300 0.031 0.000 1.151 219 P CA 1.048 64.166 63.100 0.029 0.000 0.787 219 P CB 0.161 31.874 31.700 0.022 0.000 0.788 220 E N -1.165 119.057 120.200 0.036 0.000 2.216 220 E HA 0.115 4.507 4.350 0.070 0.000 0.192 220 E C 1.741 178.367 176.600 0.043 0.000 0.973 220 E CA 0.789 57.211 56.400 0.036 0.000 0.851 220 E CB -0.028 29.692 29.700 0.033 0.000 0.804 220 E HN 0.143 nan 8.360 nan 0.000 0.477 221 A N 0.175 123.025 122.820 0.051 0.000 2.074 221 A HA 0.268 4.630 4.320 0.070 0.000 0.200 221 A C 2.055 179.678 177.584 0.064 0.000 1.335 221 A CA 0.650 52.721 52.037 0.057 0.000 0.922 221 A CB -0.013 19.022 19.000 0.059 0.000 0.972 221 A HN 0.260 nan 8.150 nan 0.000 0.475 222 G N -0.072 108.770 108.800 0.069 0.000 2.408 222 G HA2 0.184 4.185 3.960 0.070 0.000 0.213 222 G HA3 0.184 4.185 3.960 0.070 0.000 0.213 222 G C 1.703 176.642 174.900 0.064 0.000 1.177 222 G CA 1.200 46.348 45.100 0.079 0.000 0.802 222 G HN 0.683 nan 8.290 nan 0.000 0.533 223 A N 1.728 124.577 122.820 0.048 0.000 1.908 223 A HA 0.020 4.382 4.320 0.070 0.000 0.218 223 A C 0.658 178.269 177.584 0.045 0.000 1.181 223 A CA 2.006 54.062 52.037 0.032 0.000 0.627 223 A CB -1.262 17.750 19.000 0.021 0.000 0.818 223 A HN 0.374 nan 8.150 nan 0.000 0.445 224 P HA -0.102 nan 4.420 nan 0.000 0.222 224 P C 1.204 178.573 177.300 0.115 0.000 1.147 224 P CA 0.477 63.625 63.100 0.080 0.000 0.790 224 P CB -0.017 31.735 31.700 0.087 0.000 0.780 225 L N -0.300 120.978 121.223 0.092 0.000 2.046 225 L HA -0.096 4.286 4.340 0.070 0.000 0.208 225 L C 2.291 179.218 176.870 0.095 0.000 1.077 225 L CA 1.827 56.719 54.840 0.088 0.000 0.747 225 L CB -1.913 40.188 42.059 0.070 0.000 0.896 225 L HN -0.064 nan 8.230 nan 0.000 0.432 226 A N -1.691 121.172 122.820 0.071 0.000 2.168 226 A HA -0.061 4.301 4.320 0.070 0.000 0.215 226 A C 1.821 179.439 177.584 0.057 0.000 1.152 226 A CA 1.473 53.542 52.037 0.054 0.000 0.716 226 A CB -0.716 18.296 19.000 0.019 0.000 0.794 226 A HN 0.500 nan 8.150 nan 0.000 0.465 227 T N -4.099 110.497 114.554 0.070 0.000 3.132 227 T HA 0.186 4.578 4.350 0.070 0.000 0.274 227 T C 0.195 174.931 174.700 0.061 0.000 1.011 227 T CA -0.313 61.817 62.100 0.049 0.000 0.899 227 T CB -0.333 68.548 68.868 0.022 0.000 1.089 227 T HN 0.372 nan 8.240 nan 0.000 0.543 228 H N 3.181 122.262 119.070 0.018 0.000 2.594 228 H HA 0.291 4.889 4.556 0.069 0.000 0.304 228 H C -1.821 173.519 175.328 0.019 0.000 1.068 228 H CA -2.245 53.814 56.048 0.018 0.000 1.308 228 H CB 2.212 31.987 29.762 0.021 0.000 1.409 228 H HN -0.026 nan 8.280 nan 0.000 0.460 229 P HA -0.142 nan 4.420 nan 0.000 0.220 229 P C 0.411 177.819 177.300 0.181 0.000 1.144 229 P CA 1.062 64.224 63.100 0.103 0.000 0.800 229 P CB 0.579 32.291 31.700 0.020 0.000 0.772 230 D N -1.048 119.578 120.400 0.377 0.000 2.339 230 D HA 0.056 4.738 4.640 0.070 0.000 0.217 230 D C 0.282 176.625 176.300 0.072 0.000 1.050 230 D CA 0.148 54.265 54.000 0.195 0.000 0.856 230 D CB 0.211 41.120 40.800 0.181 0.000 0.922 230 D HN 0.036 nan 8.370 nan 0.000 0.518 231 V N 2.186 122.153 119.914 0.088 0.000 2.408 231 V HA 0.040 4.202 4.120 0.070 0.000 0.267 231 V C 1.176 177.310 176.094 0.066 0.000 1.047 231 V CA -0.242 62.082 62.300 0.040 0.000 0.937 231 V CB 1.723 33.571 31.823 0.042 0.000 0.999 231 V HN -0.002 nan 8.190 nan 0.000 0.472 232 D N 3.396 123.833 120.400 0.062 0.000 2.194 232 D HA 0.008 4.689 4.640 0.070 0.000 0.204 232 D C 0.793 177.136 176.300 0.072 0.000 0.964 232 D CA 1.126 55.165 54.000 0.066 0.000 0.846 232 D CB 0.708 41.549 40.800 0.068 0.000 0.962 232 D HN 0.491 nan 8.370 nan 0.000 0.490 233 K N 0.163 120.616 120.400 0.088 0.000 2.557 233 K HA 0.346 4.708 4.320 0.070 0.000 0.261 233 K C -1.887 174.781 176.600 0.115 0.000 0.932 233 K CA -0.478 55.866 56.287 0.094 0.000 0.829 233 K CB 2.667 35.220 32.500 0.090 0.000 1.358 233 K HN -0.306 nan 8.250 nan 0.000 0.430 234 V N 2.131 122.111 119.914 0.111 0.000 2.495 234 V HA 0.716 4.878 4.120 0.070 0.000 0.298 234 V C -0.616 175.570 176.094 0.154 0.000 1.031 234 V CA -0.747 61.632 62.300 0.131 0.000 0.871 234 V CB 1.369 33.256 31.823 0.107 0.000 0.988 234 V HN 0.862 nan 8.190 nan 0.000 0.432 235 A N 5.065 128.002 122.820 0.195 0.000 2.318 235 A HA 0.897 5.259 4.320 0.070 0.000 0.317 235 A C -1.260 176.470 177.584 0.244 0.000 1.159 235 A CA -0.411 51.748 52.037 0.203 0.000 0.799 235 A CB 0.972 20.119 19.000 0.246 0.000 1.194 235 A HN 0.860 nan 8.150 nan 0.000 0.479 236 F N 1.682 121.657 119.950 0.041 0.000 2.578 236 F HA 0.722 5.274 4.527 0.042 0.000 0.311 236 F C -0.569 175.232 175.800 0.002 0.000 1.094 236 F CA -0.016 57.994 58.000 0.016 0.000 0.923 236 F CB 2.337 41.333 39.000 -0.006 0.000 1.230 236 F HN 0.460 nan 8.300 nan 0.000 0.450 237 T N 3.996 117.942 114.554 -1.013 0.000 2.881 237 T HA 0.823 5.214 4.350 0.070 0.000 0.290 237 T C -0.312 173.568 174.700 -1.367 0.000 1.000 237 T CA -0.253 61.314 62.100 -0.888 0.000 0.978 237 T CB 1.356 70.003 68.868 -0.368 0.000 0.997 237 T HN 1.188 nan 8.240 nan 0.000 0.443 238 G N 1.709 109.954 108.800 -0.925 0.000 2.404 238 G HA2 0.415 4.417 3.960 0.070 0.000 0.253 238 G HA3 0.415 4.417 3.960 0.070 0.000 0.253 238 G C -0.604 174.246 174.900 -0.084 0.000 1.253 238 G CA -0.256 44.545 45.100 -0.498 0.000 0.917 238 G HN 1.044 nan 8.290 nan 0.000 0.480 239 S N 0.038 115.772 115.700 0.057 0.000 2.572 239 S HA 0.460 4.972 4.470 0.070 0.000 0.279 239 S C 1.410 176.093 174.600 0.138 0.000 1.341 239 S CA 0.840 59.056 58.200 0.025 0.000 1.043 239 S CB 1.535 64.735 63.200 0.000 0.000 0.887 239 S HN 1.077 nan 8.310 nan 0.000 0.516 240 S N 2.166 117.913 115.700 0.077 0.000 2.382 240 S HA -0.076 4.436 4.470 0.070 0.000 0.228 240 S C 2.239 176.867 174.600 0.046 0.000 1.027 240 S CA 1.068 59.322 58.200 0.090 0.000 0.991 240 S CB -0.922 62.357 63.200 0.132 0.000 0.823 240 S HN 0.930 nan 8.310 nan 0.000 0.469 241 A N 1.409 124.253 122.820 0.039 0.000 1.902 241 A HA -0.105 4.256 4.320 0.070 0.000 0.217 241 A C 2.334 179.902 177.584 -0.027 0.000 1.181 241 A CA 2.004 54.049 52.037 0.013 0.000 0.623 241 A CB -1.259 17.755 19.000 0.023 0.000 0.818 241 A HN 0.481 nan 8.150 nan 0.000 0.443 242 T N -0.267 114.274 114.554 -0.022 0.000 2.777 242 T HA 0.007 4.398 4.350 0.070 0.000 0.266 242 T C 2.005 176.468 174.700 -0.395 0.000 1.040 242 T CA 1.245 63.274 62.100 -0.118 0.000 1.141 242 T CB -0.673 68.213 68.868 0.031 0.000 0.868 242 T HN 0.575 nan 8.240 nan 0.000 0.444 243 G N 1.352 109.905 108.800 -0.412 0.000 2.476 243 G HA2 -0.250 3.752 3.960 0.070 0.000 0.218 243 G HA3 -0.250 3.752 3.960 0.070 0.000 0.218 243 G C 1.893 176.641 174.900 -0.254 0.000 1.164 243 G CA 1.245 46.055 45.100 -0.485 0.000 0.768 243 G HN 0.490 nan 8.290 nan 0.000 0.560 244 S N 0.205 115.833 115.700 -0.121 0.000 2.370 244 S HA -0.094 4.418 4.470 0.070 0.000 0.226 244 S C 2.275 176.829 174.600 -0.076 0.000 1.033 244 S CA 1.557 59.722 58.200 -0.059 0.000 1.011 244 S CB -0.181 63.005 63.200 -0.023 0.000 0.852 244 S HN 0.458 nan 8.310 nan 0.000 0.457 245 K N 0.501 120.836 120.400 -0.109 0.000 2.057 245 K HA 0.060 4.422 4.320 0.070 0.000 0.206 245 K C 1.999 178.533 176.600 -0.110 0.000 1.050 245 K CA 1.078 57.310 56.287 -0.093 0.000 0.935 245 K CB -0.258 32.189 32.500 -0.088 0.000 0.715 245 K HN 0.314 nan 8.250 nan 0.000 0.439 246 I N 0.951 121.404 120.570 -0.196 0.000 2.202 246 I HA -0.287 3.924 4.170 0.070 0.000 0.242 246 I C 2.628 178.688 176.117 -0.095 0.000 1.091 246 I CA 1.133 62.326 61.300 -0.179 0.000 1.368 246 I CB -0.124 37.674 38.000 -0.336 0.000 1.058 246 I HN 0.214 nan 8.210 nan 0.000 0.410 247 M N 0.203 119.751 119.600 -0.087 0.000 2.108 247 M HA -0.227 4.295 4.480 0.070 0.000 0.261 247 M C 2.311 178.612 176.300 0.002 0.000 1.066 247 M CA 1.927 57.226 55.300 -0.002 0.000 1.107 247 M CB -0.228 32.404 32.600 0.052 0.000 1.356 247 M HN 0.212 nan 8.290 nan 0.000 0.406 248 T N 0.767 115.312 114.554 -0.015 0.000 2.684 248 T HA -0.137 4.255 4.350 0.070 0.000 0.267 248 T C 1.716 176.411 174.700 -0.008 0.000 1.036 248 T CA 1.693 63.787 62.100 -0.010 0.000 1.148 248 T CB -0.462 68.397 68.868 -0.016 0.000 0.863 248 T HN 0.601 nan 8.240 nan 0.000 0.436 249 A N 1.202 124.013 122.820 -0.015 0.000 1.898 249 A HA 0.261 4.623 4.320 0.070 0.000 0.216 249 A C 2.605 180.191 177.584 0.004 0.000 1.181 249 A CA 1.658 53.691 52.037 -0.007 0.000 0.620 249 A CB -0.977 18.017 19.000 -0.010 0.000 0.819 249 A HN 0.502 nan 8.150 nan 0.000 0.442 250 A N -0.158 122.667 122.820 0.008 0.000 1.969 250 A HA 0.239 4.601 4.320 0.070 0.000 0.218 250 A C 2.400 179.997 177.584 0.021 0.000 1.169 250 A CA 1.667 53.718 52.037 0.022 0.000 0.635 250 A CB -0.849 18.170 19.000 0.031 0.000 0.810 250 A HN 1.035 nan 8.150 nan 0.000 0.445 251 A N -0.845 121.984 122.820 0.016 0.000 2.024 251 A HA -0.201 4.160 4.320 0.070 0.000 0.220 251 A C 2.042 179.630 177.584 0.007 0.000 1.164 251 A CA 1.578 53.621 52.037 0.011 0.000 0.643 251 A CB -0.414 18.591 19.000 0.008 0.000 0.806 251 A HN 0.529 nan 8.150 nan 0.000 0.451 252 Q N -0.995 118.809 119.800 0.007 0.000 2.170 252 Q HA -0.062 4.320 4.340 0.070 0.000 0.203 252 Q C 1.100 177.104 176.000 0.006 0.000 0.976 252 Q CA 1.137 56.942 55.803 0.004 0.000 0.858 252 Q CB -0.154 28.585 28.738 0.002 0.000 0.907 252 Q HN 0.651 nan 8.270 nan 0.000 0.433 253 L N -1.043 120.187 121.223 0.012 0.000 2.857 253 L HA 0.148 4.530 4.340 0.070 0.000 0.249 253 L C 0.793 177.674 176.870 0.018 0.000 1.172 253 L CA -0.085 54.764 54.840 0.015 0.000 0.980 253 L CB 0.997 43.070 42.059 0.024 0.000 1.299 253 L HN -0.217 nan 8.230 nan 0.000 0.535 254 V N 1.086 121.008 119.914 0.015 0.000 5.487 254 V HA -0.325 3.837 4.120 0.070 0.000 0.302 254 V C 0.766 176.873 176.094 0.021 0.000 0.511 254 V CA 1.017 63.324 62.300 0.013 0.000 0.684 254 V CB -1.018 30.808 31.823 0.006 0.000 0.458 254 V HN 0.558 nan 8.190 nan 0.000 1.195 255 K N 2.372 122.790 120.400 0.030 0.000 2.234 255 K HA 0.475 4.837 4.320 0.070 0.000 0.282 255 K C -2.091 174.537 176.600 0.048 0.000 1.039 255 K CA -1.775 54.536 56.287 0.041 0.000 0.928 255 K CB 1.207 33.737 32.500 0.049 0.000 1.039 255 K HN 0.297 nan 8.250 nan 0.000 0.470 256 P HA -0.032 nan 4.420 nan 0.000 0.265 256 P C -1.099 176.254 177.300 0.089 0.000 1.193 256 P CA -0.287 62.850 63.100 0.062 0.000 0.765 256 P CB 0.924 32.652 31.700 0.047 0.000 0.823 257 V N 2.627 122.621 119.914 0.134 0.000 2.709 257 V HA 0.532 4.693 4.120 0.070 0.000 0.308 257 V C -0.578 175.659 176.094 0.239 0.000 1.062 257 V CA -0.444 61.951 62.300 0.158 0.000 0.901 257 V CB 2.345 34.252 31.823 0.140 0.000 1.003 257 V HN 0.739 nan 8.190 nan 0.000 0.425 258 S N 7.026 122.817 115.700 0.153 0.000 2.482 258 S HA 0.813 5.325 4.470 0.070 0.000 0.303 258 S C -1.105 173.484 174.600 -0.018 0.000 1.091 258 S CA -0.746 57.512 58.200 0.096 0.000 1.057 258 S CB 1.481 64.732 63.200 0.085 0.000 1.031 258 S HN 0.626 nan 8.310 nan 0.000 0.485 259 L N 2.599 123.630 121.223 -0.320 0.000 2.343 259 L HA 0.554 4.936 4.340 0.070 0.000 0.278 259 L C -0.356 176.414 176.870 -0.167 0.000 0.996 259 L CA -0.549 54.165 54.840 -0.210 0.000 0.831 259 L CB 1.620 43.410 42.059 -0.448 0.000 1.232 259 L HN 0.663 nan 8.230 nan 0.000 0.413 260 E N 5.459 125.653 120.200 -0.010 0.000 2.092 260 E HA 0.565 4.956 4.350 0.070 0.000 0.271 260 E C -0.693 175.904 176.600 -0.005 0.000 0.919 260 E CA -0.305 56.104 56.400 0.015 0.000 0.760 260 E CB 2.526 32.291 29.700 0.109 0.000 1.106 260 E HN 0.490 nan 8.360 nan 0.000 0.408 261 L N 0.450 121.678 121.223 0.008 0.000 2.293 261 L HA 0.638 5.019 4.340 0.070 0.000 0.264 261 L C 1.145 178.002 176.870 -0.021 0.000 1.029 261 L CA -1.152 53.694 54.840 0.010 0.000 0.897 261 L CB 0.634 42.725 42.059 0.053 0.000 1.497 261 L HN 0.462 nan 8.230 nan 0.000 0.495 262 G N -1.545 107.207 108.800 -0.079 0.000 2.508 262 G HA2 0.599 4.601 3.960 0.070 0.000 0.278 262 G HA3 0.599 4.601 3.960 0.070 0.000 0.278 262 G C -0.478 174.269 174.900 -0.255 0.000 1.389 262 G CA 0.186 45.190 45.100 -0.161 0.000 1.050 262 G HN 0.871 nan 8.290 nan 0.000 0.522 263 G N -1.867 106.675 108.800 -0.430 0.000 2.548 263 G HA2 0.471 4.473 3.960 0.070 0.000 0.301 263 G HA3 0.471 4.473 3.960 0.070 0.000 0.301 263 G C -1.531 173.019 174.900 -0.584 0.000 1.349 263 G CA -0.603 44.146 45.100 -0.586 0.000 0.792 263 G HN 0.552 nan 8.290 nan 0.000 0.481 264 K N 0.826 121.022 120.400 -0.340 0.000 2.762 264 K HA 0.546 4.908 4.320 0.070 0.000 0.180 264 K C -0.209 176.279 176.600 -0.187 0.000 1.067 264 K CA -0.281 55.867 56.287 -0.231 0.000 0.973 264 K CB 0.316 32.721 32.500 -0.160 0.000 1.290 264 K HN 0.404 nan 8.250 nan 0.000 0.604 265 S N 3.726 119.328 115.700 -0.163 0.000 2.548 265 S HA 0.351 4.862 4.470 0.070 0.000 0.277 265 S C -2.395 172.102 174.600 -0.172 0.000 1.315 265 S CA -0.929 57.183 58.200 -0.147 0.000 1.050 265 S CB 0.703 63.855 63.200 -0.080 0.000 0.918 265 S HN 0.421 nan 8.310 nan 0.000 0.497 266 P HA 0.426 nan 4.420 nan 0.000 0.292 266 P C -1.246 175.973 177.300 -0.135 0.000 1.283 266 P CA -0.841 62.164 63.100 -0.159 0.000 0.835 266 P CB 1.005 32.643 31.700 -0.104 0.000 1.017 267 L N 4.173 125.363 121.223 -0.055 0.000 2.305 267 L HA 0.456 4.837 4.340 0.070 0.000 0.284 267 L C -1.199 175.696 176.870 0.042 0.000 1.013 267 L CA -0.624 54.215 54.840 -0.002 0.000 0.819 267 L CB 1.538 43.594 42.059 -0.005 0.000 1.227 267 L HN 0.043 nan 8.230 nan 0.000 0.417 268 V N 6.047 126.026 119.914 0.108 0.000 2.370 268 V HA 0.504 4.666 4.120 0.070 0.000 0.283 268 V C -0.354 175.776 176.094 0.061 0.000 1.023 268 V CA -0.591 61.731 62.300 0.037 0.000 0.857 268 V CB 1.625 33.452 31.823 0.006 0.000 0.985 268 V HN 0.553 nan 8.190 nan 0.000 0.443 269 V N 6.125 126.046 119.914 0.012 0.000 2.350 269 V HA 0.468 4.629 4.120 0.070 0.000 0.285 269 V C -0.290 175.831 176.094 0.046 0.000 1.014 269 V CA -0.465 61.848 62.300 0.022 0.000 0.831 269 V CB 1.084 32.794 31.823 -0.187 0.000 1.000 269 V HN 0.630 nan 8.190 nan 0.000 0.433 270 F N 3.001 123.047 119.950 0.159 0.000 2.378 270 F HA 0.283 4.851 4.527 0.068 0.000 0.319 270 F C 1.817 177.607 175.800 -0.018 0.000 1.155 270 F CA -0.268 57.791 58.000 0.098 0.000 1.157 270 F CB 0.846 39.877 39.000 0.052 0.000 1.252 270 F HN 0.636 nan 8.300 nan 0.000 0.550 271 E N 1.095 121.324 120.200 0.049 0.000 2.268 271 E HA -0.199 4.192 4.350 0.070 0.000 0.195 271 E C 0.206 176.863 176.600 0.095 0.000 0.995 271 E CA 1.095 57.542 56.400 0.078 0.000 0.836 271 E CB -0.863 28.902 29.700 0.109 0.000 0.763 271 E HN 0.674 nan 8.360 nan 0.000 0.491 272 D N 1.531 121.985 120.400 0.089 0.000 2.845 272 D HA 0.190 4.872 4.640 0.070 0.000 0.235 272 D C -0.181 176.174 176.300 0.093 0.000 1.158 272 D CA -0.488 53.556 54.000 0.073 0.000 0.990 272 D CB 0.216 41.036 40.800 0.033 0.000 1.094 272 D HN 0.012 nan 8.370 nan 0.000 0.486 273 V N 0.043 120.026 119.914 0.116 0.000 3.114 273 V HA 0.210 4.371 4.120 0.070 0.000 0.308 273 V C -1.289 174.890 176.094 0.142 0.000 1.168 273 V CA -1.034 61.345 62.300 0.131 0.000 1.015 273 V CB 2.468 34.385 31.823 0.157 0.000 1.050 273 V HN 0.219 nan 8.190 nan 0.000 0.433 274 D N 3.819 124.302 120.400 0.139 0.000 2.363 274 D HA 0.061 4.742 4.640 0.070 0.000 0.263 274 D C 0.921 177.324 176.300 0.172 0.000 1.258 274 D CA -0.001 54.083 54.000 0.140 0.000 0.907 274 D CB 1.402 42.277 40.800 0.125 0.000 1.107 274 D HN 0.375 nan 8.370 nan 0.000 0.495 275 L N 4.202 125.534 121.223 0.181 0.000 2.079 275 L HA -0.157 4.225 4.340 0.070 0.000 0.210 275 L C 1.959 178.896 176.870 0.112 0.000 1.081 275 L CA 1.407 56.375 54.840 0.215 0.000 0.752 275 L CB -0.538 41.638 42.059 0.195 0.000 0.896 275 L HN 0.462 nan 8.230 nan 0.000 0.433 276 D N -0.579 119.898 120.400 0.129 0.000 2.117 276 D HA -0.145 4.536 4.640 0.070 0.000 0.198 276 D C 2.187 178.433 176.300 -0.090 0.000 0.982 276 D CA 0.937 55.026 54.000 0.149 0.000 0.828 276 D CB 0.096 41.115 40.800 0.366 0.000 0.967 276 D HN 0.306 nan 8.370 nan 0.000 0.464 277 K N 0.838 121.248 120.400 0.017 0.000 2.026 277 K HA -0.071 4.291 4.320 0.070 0.000 0.208 277 K C 2.176 178.809 176.600 0.054 0.000 1.048 277 K CA 1.204 57.487 56.287 -0.007 0.000 0.929 277 K CB -0.090 32.486 32.500 0.127 0.000 0.713 277 K HN -0.006 nan 8.250 nan 0.000 0.439 278 A N 1.430 124.356 122.820 0.177 0.000 1.902 278 A HA -0.128 4.233 4.320 0.070 0.000 0.217 278 A C 2.359 180.102 177.584 0.266 0.000 1.181 278 A CA 1.868 54.095 52.037 0.316 0.000 0.623 278 A CB -0.716 18.536 19.000 0.421 0.000 0.818 278 A HN 0.349 nan 8.150 nan 0.000 0.443 279 A N -0.503 122.280 122.820 -0.061 0.000 1.902 279 A HA -0.188 4.173 4.320 0.070 0.000 0.217 279 A C 2.045 179.299 177.584 -0.550 0.000 1.181 279 A CA 1.788 53.544 52.037 -0.469 0.000 0.623 279 A CB -0.529 17.984 19.000 -0.811 0.000 0.818 279 A HN 0.656 nan 8.150 nan 0.000 0.443 280 E N -1.244 118.455 120.200 -0.834 0.000 2.051 280 E HA -0.227 4.165 4.350 0.070 0.000 0.192 280 E C 1.851 178.234 176.600 -0.362 0.000 0.991 280 E CA 1.249 57.139 56.400 -0.851 0.000 0.799 280 E CB -0.226 28.844 29.700 -1.049 0.000 0.748 280 E HN 0.813 nan 8.360 nan 0.000 0.449 281 W N 0.404 121.587 121.300 -0.195 0.000 2.363 281 W HA -0.157 4.544 4.660 0.070 0.000 0.296 281 W C 2.456 178.949 176.519 -0.044 0.000 1.212 281 W CA 0.782 58.069 57.345 -0.097 0.000 1.260 281 W CB -0.065 29.346 29.460 -0.082 0.000 1.131 281 W HN 0.196 nan 8.180 nan 0.000 0.530 282 A N 0.026 122.964 122.820 0.197 0.000 1.930 282 A HA -0.148 4.214 4.320 0.070 0.000 0.217 282 A C 1.788 179.341 177.584 -0.051 0.000 1.175 282 A CA 1.392 53.494 52.037 0.108 0.000 0.627 282 A CB -0.766 18.376 19.000 0.236 0.000 0.815 282 A HN 0.306 nan 8.150 nan 0.000 0.443 283 I N -2.197 118.353 120.570 -0.035 0.000 2.202 283 I HA -0.186 4.025 4.170 0.070 0.000 0.242 283 I C 2.278 178.415 176.117 0.034 0.000 1.091 283 I CA 1.307 62.588 61.300 -0.032 0.000 1.368 283 I CB -0.277 37.823 38.000 0.167 0.000 1.058 283 I HN 0.418 nan 8.210 nan 0.000 0.410 284 F N 1.423 121.355 119.950 -0.030 0.000 2.161 284 F HA -0.164 4.403 4.527 0.068 0.000 0.300 284 F C 2.281 178.117 175.800 0.060 0.000 1.089 284 F CA 1.631 59.640 58.000 0.016 0.000 1.282 284 F CB -0.371 38.552 39.000 -0.128 0.000 1.010 284 F HN 0.006 nan 8.300 nan 0.000 0.485 285 G N -1.869 106.983 108.800 0.088 0.000 2.484 285 G HA2 -0.237 3.765 3.960 0.070 0.000 0.218 285 G HA3 -0.237 3.765 3.960 0.070 0.000 0.218 285 G C 1.510 176.330 174.900 -0.134 0.000 1.130 285 G CA 0.977 46.054 45.100 -0.038 0.000 0.784 285 G HN 0.518 nan 8.290 nan 0.000 0.543 286 C N -1.576 117.559 119.300 -0.274 0.000 3.095 286 C HA 0.499 5.001 4.460 0.070 0.000 0.472 286 C C 2.024 176.847 174.990 -0.278 0.000 1.348 286 C CA -0.123 58.661 59.018 -0.389 0.000 2.206 286 C CB -0.497 26.864 27.740 -0.631 0.000 3.088 286 C HN 0.362 nan 8.230 nan 0.000 0.599 287 F N -1.162 118.788 119.950 0.001 0.000 2.694 287 F HA 0.239 4.809 4.527 0.070 0.000 0.292 287 F C 1.054 176.831 175.800 -0.037 0.000 1.121 287 F CA -0.764 57.228 58.000 -0.012 0.000 1.352 287 F CB -0.275 38.750 39.000 0.041 0.000 1.107 287 F HN 0.283 nan 8.300 nan 0.000 0.597 288 W N 2.761 123.971 121.300 -0.150 0.000 2.160 288 W HA 0.109 4.807 4.660 0.064 0.000 0.352 288 W C 1.577 177.921 176.519 -0.292 0.000 1.288 288 W CA 0.747 57.888 57.345 -0.340 0.000 1.279 288 W CB 0.367 29.233 29.460 -0.990 0.000 1.181 288 W HN 0.168 nan 8.180 nan 0.000 0.593 289 T N 3.562 117.461 114.554 -1.093 0.000 3.799 289 T HA -0.387 4.005 4.350 0.070 0.000 0.358 289 T C 0.533 174.922 174.700 -0.519 0.000 0.759 289 T CA 1.538 63.072 62.100 -0.942 0.000 1.869 289 T CB -2.155 65.869 68.868 -1.407 0.000 1.837 289 T HN 1.150 nan 8.240 nan 0.000 0.762 290 N N -0.893 117.641 118.700 -0.276 0.000 2.714 290 N HA -0.219 4.563 4.740 0.070 0.000 0.250 290 N C 1.260 176.682 175.510 -0.146 0.000 1.117 290 N CA 2.075 55.042 53.050 -0.140 0.000 0.719 290 N CB -1.731 36.682 38.487 -0.124 0.000 1.081 290 N HN 2.028 nan 8.380 nan 0.000 0.557 291 G N -0.783 107.906 108.800 -0.185 0.000 2.184 291 G HA2 -0.372 3.630 3.960 0.070 0.000 0.264 291 G HA3 -0.372 3.630 3.960 0.070 0.000 0.264 291 G C 0.105 174.729 174.900 -0.460 0.000 0.975 291 G CA 0.595 45.582 45.100 -0.188 0.000 0.642 291 G HN 0.549 nan 8.290 nan 0.000 0.536 292 Q N 0.169 119.578 119.800 -0.651 0.000 3.122 292 Q HA 0.535 4.916 4.340 0.070 0.000 0.360 292 Q C 0.160 175.445 176.000 -1.192 0.000 1.300 292 Q CA 0.058 55.109 55.803 -1.253 0.000 0.982 292 Q CB 0.114 28.423 28.738 -0.714 0.000 1.534 292 Q HN 0.652 nan 8.270 nan 0.000 0.474 293 I N -1.301 118.785 120.570 -0.806 0.000 2.389 293 I HA 0.161 4.373 4.170 0.070 0.000 0.288 293 I C 0.811 176.910 176.117 -0.029 0.000 0.999 293 I CA -0.797 60.322 61.300 -0.302 0.000 1.129 293 I CB 1.483 39.396 38.000 -0.144 0.000 1.288 293 I HN 0.312 nan 8.210 nan 0.000 0.444 294 C N 2.110 121.536 119.300 0.211 0.000 2.398 294 C HA -0.166 4.335 4.460 0.070 0.000 0.276 294 C C 2.472 177.563 174.990 0.168 0.000 1.222 294 C CA 1.710 60.887 59.018 0.265 0.000 1.746 294 C CB -0.959 26.923 27.740 0.237 0.000 2.039 294 C HN 0.936 nan 8.230 nan 0.000 0.470 295 S N 0.590 116.440 115.700 0.250 0.000 2.660 295 S HA 0.487 4.999 4.470 0.070 0.000 0.227 295 S C 0.449 175.132 174.600 0.139 0.000 0.948 295 S CA 0.246 58.584 58.200 0.231 0.000 0.948 295 S CB -0.391 63.098 63.200 0.482 0.000 0.779 295 S HN 0.567 nan 8.310 nan 0.000 0.487 296 A N 2.567 125.412 122.820 0.041 0.000 2.546 296 A HA 0.409 4.771 4.320 0.070 0.000 0.243 296 A C 0.932 178.472 177.584 -0.073 0.000 1.063 296 A CA -0.018 51.994 52.037 -0.042 0.000 0.757 296 A CB -0.257 18.678 19.000 -0.108 0.000 0.991 296 A HN 0.610 nan 8.150 nan 0.000 0.503 297 T N 0.999 115.496 114.554 -0.095 0.000 3.781 297 T HA 0.295 4.687 4.350 0.070 0.000 0.286 297 T C 0.907 175.527 174.700 -0.132 0.000 1.277 297 T CA 0.100 62.136 62.100 -0.106 0.000 1.136 297 T CB -0.429 68.384 68.868 -0.090 0.000 1.202 297 T HN 0.882 nan 8.240 nan 0.000 0.884 298 S N 1.660 117.274 115.700 -0.144 0.000 2.575 298 S HA 0.210 4.721 4.470 0.070 0.000 0.215 298 S C 0.607 175.128 174.600 -0.133 0.000 0.966 298 S CA -0.745 57.369 58.200 -0.142 0.000 0.911 298 S CB -0.007 63.104 63.200 -0.147 0.000 0.780 298 S HN 0.625 nan 8.310 nan 0.000 0.514 299 R N 0.883 121.292 120.500 -0.153 0.000 2.451 299 R HA 0.456 4.838 4.340 0.070 0.000 0.307 299 R C -1.486 174.795 176.300 -0.032 0.000 0.965 299 R CA -0.430 55.584 56.100 -0.142 0.000 0.865 299 R CB 1.632 31.669 30.300 -0.439 0.000 1.174 299 R HN 0.272 nan 8.270 nan 0.000 0.455 300 L N 5.469 126.732 121.223 0.066 0.000 2.264 300 L HA 0.493 4.874 4.340 0.070 0.000 0.289 300 L C -0.727 176.224 176.870 0.135 0.000 1.044 300 L CA -0.595 54.289 54.840 0.075 0.000 0.807 300 L CB 0.948 43.059 42.059 0.086 0.000 1.192 300 L HN 0.640 nan 8.230 nan 0.000 0.425 301 I N 6.212 126.847 120.570 0.107 0.000 2.371 301 I HA 0.246 4.458 4.170 0.070 0.000 0.282 301 I C -0.803 175.456 176.117 0.235 0.000 1.031 301 I CA -0.395 61.009 61.300 0.174 0.000 1.180 301 I CB 1.685 39.732 38.000 0.078 0.000 1.336 301 I HN 0.373 nan 8.210 nan 0.000 0.467 302 L N 6.596 127.959 121.223 0.232 0.000 2.362 302 L HA 0.427 4.808 4.340 0.070 0.000 0.275 302 L C -0.142 176.571 176.870 -0.261 0.000 0.998 302 L CA -0.329 54.505 54.840 -0.011 0.000 0.820 302 L CB 1.384 43.352 42.059 -0.151 0.000 1.270 302 L HN 0.443 nan 8.230 nan 0.000 0.415 303 H N 3.744 122.419 119.070 -0.659 0.000 2.929 303 H HA 0.024 4.621 4.556 0.069 0.000 0.317 303 H C 0.641 175.683 175.328 -0.478 0.000 1.031 303 H CA 0.924 56.365 56.048 -1.011 0.000 1.466 303 H CB 1.097 30.420 29.762 -0.732 0.000 1.482 303 H HN 0.894 nan 8.280 nan 0.000 0.561 304 E N 2.176 121.890 120.200 -0.809 0.000 2.130 304 E HA -0.238 4.154 4.350 0.070 0.000 0.196 304 E C 1.799 178.196 176.600 -0.337 0.000 0.998 304 E CA 1.561 57.683 56.400 -0.465 0.000 0.806 304 E CB -0.075 29.382 29.700 -0.405 0.000 0.738 304 E HN 0.605 nan 8.360 nan 0.000 0.459 305 S N 1.561 117.005 115.700 -0.427 0.000 2.419 305 S HA -0.148 4.364 4.470 0.070 0.000 0.233 305 S C 2.067 176.657 174.600 -0.016 0.000 1.016 305 S CA 1.144 59.267 58.200 -0.129 0.000 0.974 305 S CB -0.731 62.477 63.200 0.013 0.000 0.786 305 S HN 0.628 nan 8.310 nan 0.000 0.492 306 I N -2.670 117.900 120.570 -0.001 0.000 4.154 306 I HA 0.634 4.846 4.170 0.070 0.000 0.334 306 I C 2.003 178.175 176.117 0.091 0.000 1.371 306 I CA 0.031 61.373 61.300 0.071 0.000 1.110 306 I CB -0.109 37.962 38.000 0.119 0.000 1.085 306 I HN 0.175 nan 8.210 nan 0.000 0.398 307 A N 1.888 124.718 122.820 0.016 0.000 1.873 307 A HA -0.190 4.172 4.320 0.070 0.000 0.218 307 A C 2.336 179.995 177.584 0.125 0.000 1.193 307 A CA 2.920 54.987 52.037 0.051 0.000 0.629 307 A CB -1.353 17.634 19.000 -0.021 0.000 0.826 307 A HN 0.476 nan 8.150 nan 0.000 0.447 308 T N 0.353 114.955 114.554 0.080 0.000 2.652 308 T HA -0.177 4.215 4.350 0.070 0.000 0.267 308 T C 1.808 176.573 174.700 0.109 0.000 1.039 308 T CA 1.887 64.036 62.100 0.083 0.000 1.153 308 T CB -0.390 68.509 68.868 0.051 0.000 0.863 308 T HN 0.882 nan 8.240 nan 0.000 0.428 309 E N -0.074 120.197 120.200 0.117 0.000 2.285 309 E HA -0.037 4.355 4.350 0.070 0.000 0.194 309 E C 1.990 178.682 176.600 0.153 0.000 0.997 309 E CA 0.532 57.002 56.400 0.117 0.000 0.845 309 E CB -0.482 29.280 29.700 0.103 0.000 0.782 309 E HN 0.549 nan 8.360 nan 0.000 0.491 310 F N 1.889 121.878 119.950 0.066 0.000 2.128 310 F HA 0.018 4.586 4.527 0.069 0.000 0.295 310 F C 1.960 177.813 175.800 0.087 0.000 1.100 310 F CA 1.162 59.208 58.000 0.076 0.000 1.260 310 F CB 0.020 39.059 39.000 0.066 0.000 1.009 310 F HN -0.089 nan 8.300 nan 0.000 0.476 311 L N 0.290 121.674 121.223 0.268 0.000 2.131 311 L HA -0.235 4.147 4.340 0.070 0.000 0.210 311 L C 2.075 178.989 176.870 0.074 0.000 1.092 311 L CA 0.913 55.860 54.840 0.178 0.000 0.759 311 L CB -0.786 41.391 42.059 0.198 0.000 0.903 311 L HN 0.191 nan 8.230 nan 0.000 0.435 312 N N -0.130 118.611 118.700 0.067 0.000 2.142 312 N HA -0.132 4.650 4.740 0.070 0.000 0.186 312 N C 1.924 177.458 175.510 0.040 0.000 1.023 312 N CA 0.988 54.069 53.050 0.052 0.000 0.852 312 N CB -0.205 38.315 38.487 0.054 0.000 0.998 312 N HN 0.206 nan 8.380 nan 0.000 0.424 313 R N 0.875 121.381 120.500 0.010 0.000 2.075 313 R HA 0.016 4.398 4.340 0.070 0.000 0.232 313 R C 2.277 178.648 176.300 0.119 0.000 1.126 313 R CA 0.407 56.541 56.100 0.056 0.000 0.963 313 R CB -0.859 29.447 30.300 0.009 0.000 0.858 313 R HN 0.313 nan 8.270 nan 0.000 0.435 314 I N 0.717 121.225 120.570 -0.104 0.000 2.286 314 I HA -0.232 3.980 4.170 0.070 0.000 0.248 314 I C 1.952 178.149 176.117 0.133 0.000 1.115 314 I CA 0.990 62.255 61.300 -0.058 0.000 1.392 314 I CB 0.097 37.972 38.000 -0.208 0.000 1.065 314 I HN -0.135 nan 8.210 nan 0.000 0.418 315 V N 1.051 121.025 119.914 0.101 0.000 2.407 315 V HA -0.298 3.864 4.120 0.070 0.000 0.248 315 V C 2.431 178.585 176.094 0.100 0.000 1.055 315 V CA 1.915 64.276 62.300 0.103 0.000 1.049 315 V CB -0.740 31.128 31.823 0.076 0.000 0.662 315 V HN 0.395 nan 8.190 nan 0.000 0.455 316 K N -1.339 119.119 120.400 0.097 0.000 2.057 316 K HA -0.223 4.139 4.320 0.070 0.000 0.207 316 K C 1.984 178.611 176.600 0.046 0.000 1.049 316 K CA 2.053 58.366 56.287 0.043 0.000 0.931 316 K CB -0.294 32.207 32.500 0.002 0.000 0.714 316 K HN 0.496 nan 8.250 nan 0.000 0.440 317 W N 1.208 122.497 121.300 -0.019 0.000 2.358 317 W HA -0.082 4.621 4.660 0.071 0.000 0.303 317 W C 1.885 178.418 176.519 0.022 0.000 1.208 317 W CA 0.791 58.135 57.345 -0.002 0.000 1.274 317 W CB -0.319 29.139 29.460 -0.004 0.000 1.138 317 W HN -0.000 nan 8.180 nan 0.000 0.515 318 I N 0.280 121.006 120.570 0.260 0.000 2.264 318 I HA -0.333 3.879 4.170 0.070 0.000 0.248 318 I C 2.320 178.480 176.117 0.072 0.000 1.111 318 I CA 1.188 62.577 61.300 0.148 0.000 1.382 318 I CB -0.481 37.574 38.000 0.092 0.000 1.060 318 I HN -0.125 nan 8.210 nan 0.000 0.418 319 K N 0.509 120.939 120.400 0.051 0.000 2.209 319 K HA -0.129 4.233 4.320 0.070 0.000 0.204 319 K C 1.497 178.092 176.600 -0.008 0.000 1.048 319 K CA 1.071 57.364 56.287 0.010 0.000 0.940 319 K CB -0.508 31.990 32.500 -0.004 0.000 0.729 319 K HN 0.296 nan 8.250 nan 0.000 0.451 320 N N 0.576 119.273 118.700 -0.006 0.000 2.463 320 N HA 0.048 4.829 4.740 0.070 0.000 0.181 320 N C 0.233 175.753 175.510 0.017 0.000 1.078 320 N CA 0.166 53.199 53.050 -0.028 0.000 0.902 320 N CB 0.037 38.468 38.487 -0.094 0.000 0.970 320 N HN 0.154 nan 8.380 nan 0.000 0.451 321 I N 1.537 122.143 120.570 0.059 0.000 2.578 321 I HA -0.046 4.165 4.170 0.070 0.000 0.286 321 I C 0.850 176.998 176.117 0.050 0.000 1.126 321 I CA -0.054 61.295 61.300 0.081 0.000 1.380 321 I CB 0.222 38.283 38.000 0.100 0.000 1.408 321 I HN -0.074 nan 8.210 nan 0.000 0.532 322 K N 8.373 128.801 120.400 0.048 0.000 2.378 322 K HA 0.291 4.653 4.320 0.070 0.000 0.288 322 K C -0.584 176.055 176.600 0.065 0.000 1.057 322 K CA -0.356 55.950 56.287 0.031 0.000 0.971 322 K CB 0.661 33.173 32.500 0.019 0.000 0.975 322 K HN 0.647 nan 8.250 nan 0.000 0.475 323 I N 3.688 124.303 120.570 0.076 0.000 2.330 323 I HA 0.283 4.495 4.170 0.070 0.000 0.289 323 I C -0.974 175.161 176.117 0.030 0.000 1.001 323 I CA 0.157 61.514 61.300 0.096 0.000 1.193 323 I CB 1.069 39.133 38.000 0.107 0.000 1.345 323 I HN 0.856 nan 8.210 nan 0.000 0.461 324 S N 4.123 119.845 115.700 0.036 0.000 2.703 324 S HA 0.295 4.807 4.470 0.070 0.000 0.273 324 S C -0.984 173.723 174.600 0.179 0.000 1.178 324 S CA -0.984 57.185 58.200 -0.052 0.000 0.838 324 S CB 0.883 64.085 63.200 0.003 0.000 1.178 324 S HN 0.735 nan 8.310 nan 0.000 0.494 325 D N 1.236 121.727 120.400 0.151 0.000 2.571 325 D HA 0.102 4.784 4.640 0.070 0.000 0.231 325 D C -1.472 174.913 176.300 0.143 0.000 1.133 325 D CA -0.713 53.412 54.000 0.209 0.000 0.862 325 D CB 0.928 41.791 40.800 0.104 0.000 1.179 325 D HN 0.183 nan 8.370 nan 0.000 0.474 326 P HA -0.069 nan 4.420 nan 0.000 0.220 326 P C 1.358 178.696 177.300 0.063 0.000 1.148 326 P CA 0.843 63.991 63.100 0.081 0.000 0.803 326 P CB 0.171 31.895 31.700 0.041 0.000 0.782 327 L N -1.259 119.995 121.223 0.051 0.000 2.395 327 L HA 0.018 4.400 4.340 0.070 0.000 0.218 327 L C 1.156 178.049 176.870 0.038 0.000 1.130 327 L CA 0.359 55.223 54.840 0.040 0.000 0.826 327 L CB -0.633 41.443 42.059 0.027 0.000 0.941 327 L HN 0.017 nan 8.230 nan 0.000 0.451 328 E N 1.772 121.998 120.200 0.042 0.000 2.415 328 E HA -0.052 4.340 4.350 0.070 0.000 0.263 328 E C 0.184 176.805 176.600 0.035 0.000 0.995 328 E CA 0.001 56.421 56.400 0.033 0.000 0.915 328 E CB 0.527 30.245 29.700 0.030 0.000 0.951 328 E HN 0.132 nan 8.360 nan 0.000 0.449 329 E N 1.302 121.517 120.200 0.026 0.000 2.529 329 E HA -0.100 4.291 4.350 0.070 0.000 0.259 329 E C 0.708 177.325 176.600 0.028 0.000 0.966 329 E CA 0.902 57.317 56.400 0.025 0.000 0.937 329 E CB 0.178 29.887 29.700 0.015 0.000 0.923 329 E HN 0.811 nan 8.360 nan 0.000 0.468 330 G N 3.346 112.169 108.800 0.038 0.000 2.184 330 G HA2 -0.344 3.658 3.960 0.070 0.000 0.264 330 G HA3 -0.344 3.658 3.960 0.070 0.000 0.264 330 G C 0.444 175.379 174.900 0.058 0.000 0.975 330 G CA 0.089 45.215 45.100 0.042 0.000 0.642 330 G HN 0.771 nan 8.290 nan 0.000 0.536 331 C N 1.508 120.848 119.300 0.067 0.000 2.592 331 C HA 0.509 5.011 4.460 0.070 0.000 0.408 331 C C 1.711 176.767 174.990 0.110 0.000 1.436 331 C CA 0.268 59.337 59.018 0.085 0.000 1.595 331 C CB -0.231 27.564 27.740 0.091 0.000 2.487 331 C HN 0.450 nan 8.230 nan 0.000 0.610 332 R N 3.132 123.703 120.500 0.118 0.000 2.476 332 R HA 0.348 4.730 4.340 0.070 0.000 0.276 332 R C -0.873 175.518 176.300 0.152 0.000 0.941 332 R CA -0.094 56.097 56.100 0.151 0.000 1.088 332 R CB 0.248 30.643 30.300 0.159 0.000 1.216 332 R HN 0.707 nan 8.270 nan 0.000 0.533 333 L N -0.431 120.872 121.223 0.133 0.000 2.614 333 L HA 0.546 4.928 4.340 0.070 0.000 0.264 333 L C -0.566 176.407 176.870 0.173 0.000 0.940 333 L CA -0.464 54.453 54.840 0.128 0.000 0.903 333 L CB 1.820 43.947 42.059 0.114 0.000 1.306 333 L HN 0.087 nan 8.230 nan 0.000 0.410 334 G N 3.538 112.414 108.800 0.128 0.000 2.642 334 G HA2 0.748 4.750 3.960 0.070 0.000 0.291 334 G HA3 0.748 4.750 3.960 0.070 0.000 0.291 334 G C -2.935 171.956 174.900 -0.015 0.000 1.345 334 G CA -1.343 43.839 45.100 0.138 0.000 1.043 334 G HN 0.443 nan 8.290 nan 0.000 0.528 335 P HA 0.282 nan 4.420 nan 0.000 0.276 335 P C 0.477 177.619 177.300 -0.263 0.000 1.252 335 P CA -0.300 62.391 63.100 -0.682 0.000 0.802 335 P CB 1.349 32.304 31.700 -1.242 0.000 1.035 336 V N 0.014 119.854 119.914 -0.124 0.000 3.185 336 V HA 0.032 4.193 4.120 0.070 0.000 0.305 336 V C 1.783 177.784 176.094 -0.154 0.000 1.090 336 V CA -0.156 62.091 62.300 -0.088 0.000 1.107 336 V CB -0.014 31.808 31.823 -0.003 0.000 1.061 336 V HN 0.386 nan 8.190 nan 0.000 0.480 337 V N 1.856 121.573 119.914 -0.328 0.000 2.407 337 V HA -0.007 4.155 4.120 0.070 0.000 0.248 337 V C 1.171 177.023 176.094 -0.402 0.000 1.055 337 V CA 2.237 64.233 62.300 -0.507 0.000 1.049 337 V CB 0.053 31.130 31.823 -1.244 0.000 0.662 337 V HN 1.433 nan 8.190 nan 0.000 0.455 338 S N -2.609 112.807 115.700 -0.473 0.000 2.625 338 S HA 0.344 4.856 4.470 0.070 0.000 0.271 338 S C 0.449 174.361 174.600 -1.147 0.000 1.161 338 S CA 0.074 57.877 58.200 -0.662 0.000 0.820 338 S CB 1.457 64.357 63.200 -0.501 0.000 1.137 338 S HN 0.279 nan 8.310 nan 0.000 0.470 339 E N 0.991 120.273 120.200 -1.531 0.000 2.058 339 E HA -0.051 4.341 4.350 0.070 0.000 0.194 339 E C 1.965 178.311 176.600 -0.422 0.000 0.997 339 E CA 1.891 57.582 56.400 -1.181 0.000 0.801 339 E CB -1.109 28.210 29.700 -0.635 0.000 0.746 339 E HN 0.837 nan 8.360 nan 0.000 0.450 340 G N 0.349 108.960 108.800 -0.314 0.000 2.440 340 G HA2 -0.297 3.705 3.960 0.070 0.000 0.218 340 G HA3 -0.297 3.705 3.960 0.070 0.000 0.218 340 G C 1.572 176.410 174.900 -0.103 0.000 1.154 340 G CA 0.777 45.784 45.100 -0.155 0.000 0.767 340 G HN 0.204 nan 8.290 nan 0.000 0.552 341 Q N -0.586 119.130 119.800 -0.140 0.000 2.079 341 Q HA -0.082 4.300 4.340 0.070 0.000 0.200 341 Q C 2.180 178.182 176.000 0.005 0.000 0.974 341 Q CA 1.099 56.880 55.803 -0.036 0.000 0.840 341 Q CB -0.646 28.050 28.738 -0.071 0.000 0.898 341 Q HN 0.652 nan 8.270 nan 0.000 0.430 342 Y N 2.104 122.290 120.300 -0.191 0.000 2.069 342 Y HA -0.292 4.299 4.550 0.069 0.000 0.278 342 Y C 2.023 177.901 175.900 -0.037 0.000 1.175 342 Y CA 2.259 60.297 58.100 -0.104 0.000 1.134 342 Y CB -0.088 38.278 38.460 -0.157 0.000 0.965 342 Y HN 0.170 nan 8.280 nan 0.000 0.498 343 E N -0.091 120.080 120.200 -0.049 0.000 2.106 343 E HA -0.202 4.190 4.350 0.070 0.000 0.192 343 E C 2.257 178.792 176.600 -0.108 0.000 0.984 343 E CA 1.106 57.440 56.400 -0.111 0.000 0.806 343 E CB -0.180 29.517 29.700 -0.005 0.000 0.750 343 E HN 0.405 nan 8.360 nan 0.000 0.458 344 K N 0.914 121.284 120.400 -0.050 0.000 2.063 344 K HA -0.186 4.176 4.320 0.070 0.000 0.208 344 K C 2.016 178.662 176.600 0.076 0.000 1.048 344 K CA 1.283 57.556 56.287 -0.023 0.000 0.928 344 K CB -0.096 32.447 32.500 0.070 0.000 0.713 344 K HN 0.092 nan 8.250 nan 0.000 0.442 345 I N 1.164 121.814 120.570 0.134 0.000 2.252 345 I HA -0.284 3.928 4.170 0.070 0.000 0.245 345 I C 2.182 178.366 176.117 0.112 0.000 1.102 345 I CA 0.985 62.421 61.300 0.226 0.000 1.385 345 I CB -0.155 37.907 38.000 0.104 0.000 1.064 345 I HN 0.153 nan 8.210 nan 0.000 0.414 346 L N 0.411 121.585 121.223 -0.082 0.000 2.131 346 L HA -0.208 4.174 4.340 0.070 0.000 0.210 346 L C 2.516 179.356 176.870 -0.050 0.000 1.092 346 L CA 1.222 55.997 54.840 -0.109 0.000 0.759 346 L CB -0.508 41.397 42.059 -0.257 0.000 0.903 346 L HN 0.186 nan 8.230 nan 0.000 0.435 347 K N -0.028 120.322 120.400 -0.083 0.000 2.097 347 K HA -0.146 4.216 4.320 0.070 0.000 0.205 347 K C 1.938 178.469 176.600 -0.114 0.000 1.050 347 K CA 1.326 57.535 56.287 -0.128 0.000 0.938 347 K CB -0.096 32.274 32.500 -0.216 0.000 0.718 347 K HN 0.007 nan 8.250 nan 0.000 0.442 348 F N -0.017 119.931 119.950 -0.004 0.000 2.134 348 F HA -0.188 4.381 4.527 0.070 0.000 0.299 348 F C 2.086 177.902 175.800 0.026 0.000 1.097 348 F CA 0.951 58.963 58.000 0.021 0.000 1.264 348 F CB -0.503 38.516 39.000 0.032 0.000 1.001 348 F HN -0.171 nan 8.300 nan 0.000 0.479 349 V N -0.298 119.736 119.914 0.199 0.000 2.358 349 V HA -0.269 3.893 4.120 0.070 0.000 0.246 349 V C 2.388 178.531 176.094 0.081 0.000 1.047 349 V CA 2.030 64.403 62.300 0.122 0.000 1.035 349 V CB -1.126 30.744 31.823 0.077 0.000 0.658 349 V HN 0.478 nan 8.190 nan 0.000 0.452 350 S N 0.395 116.123 115.700 0.047 0.000 2.406 350 S HA -0.143 4.369 4.470 0.070 0.000 0.228 350 S C 1.776 176.394 174.600 0.031 0.000 1.020 350 S CA 1.249 59.465 58.200 0.027 0.000 0.965 350 S CB -0.579 62.622 63.200 0.002 0.000 0.798 350 S HN 0.541 nan 8.310 nan 0.000 0.488 351 N N 2.770 121.488 118.700 0.031 0.000 2.166 351 N HA 0.128 4.909 4.740 0.070 0.000 0.186 351 N C 1.884 177.438 175.510 0.074 0.000 1.019 351 N CA 1.425 54.498 53.050 0.037 0.000 0.856 351 N CB -0.892 37.605 38.487 0.017 0.000 0.993 351 N HN 0.609 nan 8.380 nan 0.000 0.426 352 A N 0.727 123.610 122.820 0.106 0.000 1.972 352 A HA -0.133 4.229 4.320 0.070 0.000 0.219 352 A C 2.159 179.791 177.584 0.080 0.000 1.169 352 A CA 1.297 53.400 52.037 0.111 0.000 0.635 352 A CB -0.342 18.739 19.000 0.134 0.000 0.810 352 A HN 0.216 nan 8.150 nan 0.000 0.446 353 K N -0.362 120.077 120.400 0.065 0.000 2.103 353 K HA -0.028 4.333 4.320 0.070 0.000 0.204 353 K C 1.996 178.620 176.600 0.040 0.000 1.052 353 K CA 1.166 57.482 56.287 0.049 0.000 0.945 353 K CB -0.094 32.431 32.500 0.041 0.000 0.722 353 K HN 0.421 nan 8.250 nan 0.000 0.443 354 S N 1.062 116.784 115.700 0.036 0.000 2.500 354 S HA -0.084 4.428 4.470 0.070 0.000 0.239 354 S C 0.954 175.572 174.600 0.031 0.000 0.989 354 S CA 1.024 59.241 58.200 0.028 0.000 0.951 354 S CB -0.069 63.143 63.200 0.021 0.000 0.759 354 S HN 0.353 nan 8.310 nan 0.000 0.523 355 E N -0.585 119.639 120.200 0.041 0.000 2.498 355 E HA 0.261 4.653 4.350 0.070 0.000 0.203 355 E C 1.143 177.765 176.600 0.036 0.000 1.013 355 E CA 0.265 56.689 56.400 0.041 0.000 0.927 355 E CB 0.642 30.375 29.700 0.056 0.000 1.012 355 E HN 0.473 nan 8.360 nan 0.000 0.482 356 G N 1.248 110.070 108.800 0.036 0.000 2.168 356 G HA2 -0.222 3.780 3.960 0.070 0.000 0.197 356 G HA3 -0.222 3.780 3.960 0.070 0.000 0.197 356 G C 0.325 175.246 174.900 0.035 0.000 0.997 356 G CA -0.100 45.018 45.100 0.030 0.000 0.658 356 G HN 0.396 nan 8.290 nan 0.000 0.513 357 A N 0.049 122.897 122.820 0.048 0.000 2.332 357 A HA 0.770 5.131 4.320 0.070 0.000 0.258 357 A C 0.643 178.260 177.584 0.056 0.000 1.087 357 A CA 0.934 53.005 52.037 0.056 0.000 0.802 357 A CB 0.516 19.563 19.000 0.078 0.000 1.042 357 A HN 0.724 nan 8.150 nan 0.000 0.489 358 T N 2.129 116.718 114.554 0.058 0.000 2.875 358 T HA 0.461 4.852 4.350 0.070 0.000 0.284 358 T C -0.055 174.686 174.700 0.068 0.000 0.995 358 T CA -0.225 61.909 62.100 0.056 0.000 1.060 358 T CB 0.673 69.572 68.868 0.051 0.000 0.967 358 T HN 0.353 nan 8.240 nan 0.000 0.476 359 I N 4.225 124.833 120.570 0.063 0.000 2.282 359 I HA 0.185 4.397 4.170 0.070 0.000 0.290 359 I C 1.264 177.420 176.117 0.065 0.000 1.090 359 I CA -0.337 61.004 61.300 0.068 0.000 1.231 359 I CB 0.220 38.255 38.000 0.058 0.000 1.434 359 I HN 0.655 nan 8.210 nan 0.000 0.487 360 L N 3.704 124.974 121.223 0.078 0.000 2.056 360 L HA -0.075 4.307 4.340 0.070 0.000 0.207 360 L C 0.913 177.823 176.870 0.067 0.000 1.078 360 L CA 1.554 56.440 54.840 0.076 0.000 0.749 360 L CB 0.335 42.452 42.059 0.097 0.000 0.901 360 L HN 0.690 nan 8.230 nan 0.000 0.433 361 T N -2.232 112.363 114.554 0.068 0.000 2.853 361 T HA 0.530 4.922 4.350 0.070 0.000 0.311 361 T C -0.122 174.596 174.700 0.031 0.000 1.307 361 T CA 0.160 62.288 62.100 0.047 0.000 1.019 361 T CB 1.463 70.360 68.868 0.048 0.000 1.264 361 T HN 0.613 nan 8.240 nan 0.000 0.497 362 G N 1.355 110.162 108.800 0.011 0.000 2.552 362 G HA2 0.252 4.253 3.960 0.070 0.000 0.265 362 G HA3 0.252 4.253 3.960 0.070 0.000 0.265 362 G C 0.904 175.814 174.900 0.016 0.000 1.234 362 G CA 1.084 46.182 45.100 -0.002 0.000 0.944 362 G HN 2.337 nan 8.290 nan 0.000 0.568 363 G N -3.027 105.782 108.800 0.015 0.000 2.284 363 G HA2 0.348 4.349 3.960 0.070 0.000 0.201 363 G HA3 0.348 4.349 3.960 0.070 0.000 0.201 363 G C 0.695 175.603 174.900 0.013 0.000 0.998 363 G CA 1.408 46.522 45.100 0.023 0.000 0.651 363 G HN 2.743 nan 8.290 nan 0.000 0.489 364 S N -0.678 115.032 115.700 0.017 0.000 2.819 364 S HA 0.768 5.279 4.470 0.070 0.000 0.299 364 S C -0.050 174.585 174.600 0.058 0.000 1.192 364 S CA -0.140 58.074 58.200 0.024 0.000 0.847 364 S CB 1.308 64.527 63.200 0.031 0.000 1.224 364 S HN 1.231 nan 8.310 nan 0.000 0.537 365 R N 0.004 120.570 120.500 0.109 0.000 2.738 365 R HA 0.535 4.917 4.340 0.070 0.000 0.268 365 R C -2.835 173.495 176.300 0.049 0.000 1.062 365 R CA -0.977 55.214 56.100 0.151 0.000 1.158 365 R CB -1.040 29.399 30.300 0.232 0.000 1.046 365 R HN 0.304 nan 8.270 nan 0.000 0.493 366 P HA 0.012 nan 4.420 nan 0.000 0.275 366 P C -0.264 176.935 177.300 -0.169 0.000 1.228 366 P CA -0.339 62.692 63.100 -0.115 0.000 0.786 366 P CB 1.101 32.620 31.700 -0.301 0.000 0.927 367 E N 1.921 122.093 120.200 -0.046 0.000 2.110 367 E HA -0.229 4.162 4.350 0.070 0.000 0.193 367 E C 1.154 177.723 176.600 -0.053 0.000 0.988 367 E CA 1.346 57.735 56.400 -0.017 0.000 0.804 367 E CB -0.152 29.573 29.700 0.041 0.000 0.745 367 E HN 0.668 nan 8.360 nan 0.000 0.458 368 H N -1.319 117.708 119.070 -0.073 0.000 2.556 368 H HA 0.201 4.798 4.556 0.069 0.000 0.268 368 H C 0.261 175.509 175.328 -0.133 0.000 0.996 368 H CA 0.103 56.095 56.048 -0.093 0.000 1.157 368 H CB -0.255 29.448 29.762 -0.098 0.000 1.355 368 H HN -0.027 nan 8.280 nan 0.000 0.597 369 L N 1.614 122.548 121.223 -0.482 0.000 2.353 369 L HA 0.310 4.692 4.340 0.070 0.000 0.270 369 L C 0.290 177.032 176.870 -0.214 0.000 1.003 369 L CA -0.781 53.810 54.840 -0.416 0.000 0.862 369 L CB 1.773 43.370 42.059 -0.771 0.000 1.221 369 L HN 0.045 nan 8.230 nan 0.000 0.430 370 K N 0.980 121.301 120.400 -0.131 0.000 2.296 370 K HA 0.170 4.532 4.320 0.070 0.000 0.200 370 K C 0.444 177.001 176.600 -0.071 0.000 1.048 370 K CA 0.689 56.929 56.287 -0.078 0.000 0.966 370 K CB 0.238 32.703 32.500 -0.058 0.000 0.754 370 K HN 0.351 nan 8.250 nan 0.000 0.466 371 K N 0.037 120.392 120.400 -0.076 0.000 2.340 371 K HA 0.491 4.852 4.320 0.070 0.000 0.244 371 K C -0.152 176.420 176.600 -0.048 0.000 0.973 371 K CA -0.296 55.931 56.287 -0.100 0.000 0.828 371 K CB 2.214 34.650 32.500 -0.107 0.000 1.226 371 K HN 0.232 nan 8.250 nan 0.000 0.437 372 G N 1.001 109.624 108.800 -0.295 0.000 2.719 372 G HA2 -0.192 3.810 3.960 0.070 0.000 0.686 372 G HA3 -0.192 3.810 3.960 0.070 0.000 0.686 372 G C -0.663 173.893 174.900 -0.573 0.000 1.201 372 G CA -0.944 43.849 45.100 -0.512 0.000 0.768 372 G HN 0.326 nan 8.290 nan 0.000 0.629 373 F N 1.245 120.876 119.950 -0.532 0.000 2.705 373 F HA 0.440 5.009 4.527 0.070 0.000 0.355 373 F C 0.961 176.585 175.800 -0.293 0.000 1.172 373 F CA -0.740 56.914 58.000 -0.578 0.000 1.332 373 F CB -0.707 38.040 39.000 -0.422 0.000 1.621 373 F HN 0.290 nan 8.300 nan 0.000 0.605 374 F N 1.112 121.093 119.950 0.052 0.000 2.396 374 F HA 0.527 5.096 4.527 0.071 0.000 0.343 374 F C 0.398 176.327 175.800 0.215 0.000 1.104 374 F CA -0.659 57.397 58.000 0.094 0.000 1.161 374 F CB 0.794 39.776 39.000 -0.030 0.000 1.146 374 F HN -0.085 nan 8.300 nan 0.000 0.522 375 I N 2.018 122.772 120.570 0.307 0.000 2.533 375 I HA 0.205 4.417 4.170 0.070 0.000 0.290 375 I C -0.556 175.617 176.117 0.093 0.000 1.056 375 I CA -0.824 60.585 61.300 0.181 0.000 1.057 375 I CB 2.061 40.126 38.000 0.108 0.000 1.240 375 I HN 0.559 nan 8.210 nan 0.000 0.423 376 E N 6.404 126.630 120.200 0.044 0.000 2.392 376 E HA 0.135 4.527 4.350 0.070 0.000 0.264 376 E C -2.311 174.210 176.600 -0.132 0.000 1.024 376 E CA -1.534 54.851 56.400 -0.025 0.000 0.903 376 E CB 0.139 29.830 29.700 -0.015 0.000 0.963 376 E HN 0.219 nan 8.360 nan 0.000 0.432 377 P HA -0.047 nan 4.420 nan 0.000 0.261 377 P C -1.038 175.996 177.300 -0.443 0.000 1.183 377 P CA 0.486 63.148 63.100 -0.730 0.000 0.761 377 P CB 0.486 31.561 31.700 -1.042 0.000 0.785 378 T N 4.670 119.061 114.554 -0.272 0.000 2.792 378 T HA 0.557 4.949 4.350 0.070 0.000 0.280 378 T C 0.114 174.931 174.700 0.194 0.000 0.990 378 T CA -0.353 61.752 62.100 0.009 0.000 0.960 378 T CB 0.598 69.498 68.868 0.053 0.000 0.939 378 T HN 0.178 nan 8.240 nan 0.000 0.439 379 I N 3.902 124.577 120.570 0.176 0.000 2.362 379 I HA 0.463 4.674 4.170 0.070 0.000 0.289 379 I C -0.473 175.739 176.117 0.157 0.000 0.994 379 I CA -0.794 60.638 61.300 0.218 0.000 1.158 379 I CB 1.398 39.534 38.000 0.227 0.000 1.315 379 I HN 0.456 nan 8.210 nan 0.000 0.451 380 I N 5.494 126.159 120.570 0.158 0.000 2.362 380 I HA 0.349 4.560 4.170 0.070 0.000 0.289 380 I C 0.267 176.466 176.117 0.136 0.000 0.994 380 I CA -0.132 61.249 61.300 0.135 0.000 1.158 380 I CB 1.962 40.043 38.000 0.134 0.000 1.315 380 I HN 0.531 nan 8.210 nan 0.000 0.451 381 T N 2.499 117.120 114.554 0.112 0.000 2.807 381 T HA 0.270 4.661 4.350 0.070 0.000 0.277 381 T C -0.568 174.177 174.700 0.074 0.000 1.006 381 T CA -0.286 61.874 62.100 0.100 0.000 1.006 381 T CB 0.904 69.828 68.868 0.094 0.000 1.274 381 T HN 0.674 nan 8.240 nan 0.000 0.569 382 D N 0.289 120.721 120.400 0.053 0.000 2.697 382 D HA -0.109 4.573 4.640 0.070 0.000 0.235 382 D C -0.605 175.709 176.300 0.023 0.000 1.167 382 D CA 0.450 54.467 54.000 0.028 0.000 0.656 382 D CB -1.505 39.311 40.800 0.028 0.000 1.025 382 D HN 0.309 nan 8.370 nan 0.000 0.419 383 V N 0.432 120.357 119.914 0.017 0.000 2.472 383 V HA 0.441 4.602 4.120 0.070 0.000 0.290 383 V C 0.868 176.898 176.094 -0.107 0.000 1.037 383 V CA -0.136 62.169 62.300 0.009 0.000 0.908 383 V CB 2.157 34.042 31.823 0.103 0.000 0.985 383 V HN 0.190 nan 8.190 nan 0.000 0.454 384 T N 2.290 116.779 114.554 -0.108 0.000 2.855 384 T HA 0.269 4.661 4.350 0.070 0.000 0.281 384 T C 1.271 175.807 174.700 -0.274 0.000 1.007 384 T CA 0.256 62.245 62.100 -0.186 0.000 1.009 384 T CB 1.470 70.283 68.868 -0.093 0.000 0.983 384 T HN 1.011 nan 8.240 nan 0.000 0.455 385 T N 1.524 115.813 114.554 -0.443 0.000 2.849 385 T HA -0.170 4.222 4.350 0.070 0.000 0.270 385 T C 1.443 176.086 174.700 -0.095 0.000 1.066 385 T CA 1.733 63.473 62.100 -0.600 0.000 1.130 385 T CB -0.451 68.136 68.868 -0.468 0.000 0.864 385 T HN 0.708 nan 8.240 nan 0.000 0.481 386 N N 0.270 118.951 118.700 -0.031 0.000 2.467 386 N HA 0.113 4.894 4.740 0.070 0.000 0.184 386 N C 0.563 176.133 175.510 0.100 0.000 1.106 386 N CA -0.006 53.079 53.050 0.058 0.000 0.892 386 N CB -0.713 37.791 38.487 0.029 0.000 0.969 386 N HN 0.408 nan 8.380 nan 0.000 0.454 387 M N 0.761 120.424 119.600 0.105 0.000 2.249 387 M HA -0.036 4.485 4.480 0.070 0.000 0.340 387 M C 1.674 178.099 176.300 0.209 0.000 1.166 387 M CA 0.116 55.501 55.300 0.142 0.000 1.115 387 M CB 0.834 33.517 32.600 0.140 0.000 1.606 387 M HN 0.259 nan 8.290 nan 0.000 0.448 388 Q N 2.141 122.053 119.800 0.188 0.000 2.077 388 Q HA -0.226 4.156 4.340 0.070 0.000 0.206 388 Q C 1.643 177.795 176.000 0.253 0.000 0.989 388 Q CA 1.905 57.842 55.803 0.224 0.000 0.853 388 Q CB -0.086 28.786 28.738 0.224 0.000 0.907 388 Q HN 0.769 nan 8.270 nan 0.000 0.418 389 I N 0.418 121.137 120.570 0.247 0.000 2.315 389 I HA -0.275 3.937 4.170 0.070 0.000 0.251 389 I C 1.842 178.074 176.117 0.192 0.000 1.125 389 I CA 1.408 62.830 61.300 0.202 0.000 1.392 389 I CB -0.365 37.753 38.000 0.196 0.000 1.065 389 I HN 0.506 nan 8.210 nan 0.000 0.424 390 W N 1.027 122.365 121.300 0.064 0.000 2.476 390 W HA -0.123 4.582 4.660 0.075 0.000 0.281 390 W C 2.086 178.644 176.519 0.064 0.000 1.230 390 W CA 0.981 58.359 57.345 0.054 0.000 1.287 390 W CB -0.025 29.468 29.460 0.055 0.000 1.108 390 W HN 0.097 nan 8.180 nan 0.000 0.567 391 R N -0.216 120.383 120.500 0.164 0.000 2.195 391 R HA 0.126 4.508 4.340 0.070 0.000 0.197 391 R C 0.351 176.723 176.300 0.120 0.000 0.990 391 R CA 0.307 56.474 56.100 0.112 0.000 1.048 391 R CB 0.010 30.434 30.300 0.206 0.000 0.997 391 R HN 0.015 nan 8.270 nan 0.000 0.502 392 E N 1.578 121.846 120.200 0.112 0.000 2.242 392 E HA 0.088 4.479 4.350 0.070 0.000 0.275 392 E C -0.913 175.622 176.600 -0.109 0.000 1.002 392 E CA -0.415 56.046 56.400 0.101 0.000 0.841 392 E CB 1.586 31.428 29.700 0.236 0.000 1.109 392 E HN 0.057 nan 8.360 nan 0.000 0.394 393 E N 1.918 122.030 120.200 -0.148 0.000 2.324 393 E HA 0.032 4.424 4.350 0.070 0.000 0.271 393 E C 0.202 176.582 176.600 -0.366 0.000 1.028 393 E CA -0.245 56.008 56.400 -0.246 0.000 0.890 393 E CB 0.868 30.415 29.700 -0.255 0.000 1.004 393 E HN 0.291 nan 8.360 nan 0.000 0.431 394 V N 5.174 124.824 119.914 -0.440 0.000 2.500 394 V HA -0.050 4.112 4.120 0.070 0.000 0.243 394 V C 0.739 176.789 176.094 -0.073 0.000 1.039 394 V CA 0.457 62.364 62.300 -0.655 0.000 1.053 394 V CB -0.620 30.873 31.823 -0.551 0.000 0.695 394 V HN 0.965 nan 8.190 nan 0.000 0.463 395 F N 0.791 120.633 119.950 -0.179 0.000 3.040 395 F HA -0.022 4.544 4.527 0.065 0.000 0.298 395 F C 0.445 176.247 175.800 0.004 0.000 0.948 395 F CA 0.736 58.696 58.000 -0.066 0.000 1.022 395 F CB -1.085 37.909 39.000 -0.011 0.000 1.023 395 F HN 0.297 nan 8.300 nan 0.000 0.742 396 G N -0.421 108.369 108.800 -0.017 0.000 2.645 396 G HA2 0.626 4.628 3.960 0.070 0.000 0.292 396 G HA3 0.626 4.628 3.960 0.070 0.000 0.292 396 G C -3.143 171.780 174.900 0.038 0.000 1.415 396 G CA -0.781 44.321 45.100 0.002 0.000 0.785 396 G HN -0.180 nan 8.290 nan 0.000 0.483 397 P HA 0.326 nan 4.420 nan 0.000 0.226 397 P C -0.585 176.913 177.300 0.330 0.000 1.783 397 P CA -0.159 63.104 63.100 0.273 0.000 0.980 397 P CB 0.266 32.013 31.700 0.078 0.000 1.967 398 V N 3.087 123.184 119.914 0.304 0.000 2.443 398 V HA 0.338 4.500 4.120 0.070 0.000 0.293 398 V C -0.210 176.008 176.094 0.207 0.000 1.021 398 V CA -0.821 61.629 62.300 0.250 0.000 0.848 398 V CB 2.165 34.048 31.823 0.101 0.000 0.998 398 V HN 0.108 nan 8.190 nan 0.000 0.424 399 L N 6.894 128.282 121.223 0.276 0.000 2.322 399 L HA 0.842 5.224 4.340 0.070 0.000 0.281 399 L C -0.044 176.913 176.870 0.145 0.000 1.014 399 L CA -0.049 54.863 54.840 0.120 0.000 0.815 399 L CB 1.319 43.404 42.059 0.043 0.000 1.247 399 L HN 0.922 nan 8.230 nan 0.000 0.421 400 C N 3.570 122.939 119.300 0.115 0.000 2.435 400 C HA 0.926 5.428 4.460 0.070 0.000 0.333 400 C C -0.256 174.858 174.990 0.207 0.000 1.202 400 C CA -0.866 58.256 59.018 0.174 0.000 1.830 400 C CB 0.818 28.685 27.740 0.212 0.000 2.326 400 C HN 0.610 nan 8.230 nan 0.000 0.507 401 V N 2.970 123.014 119.914 0.217 0.000 2.628 401 V HA 0.654 4.816 4.120 0.070 0.000 0.306 401 V C -0.089 176.127 176.094 0.202 0.000 1.045 401 V CA -0.393 62.030 62.300 0.205 0.000 0.905 401 V CB 1.620 33.542 31.823 0.165 0.000 0.997 401 V HN 0.983 nan 8.190 nan 0.000 0.436 402 K N 1.078 121.604 120.400 0.211 0.000 2.477 402 K HA 0.643 5.005 4.320 0.070 0.000 0.255 402 K C -0.915 175.756 176.600 0.118 0.000 0.952 402 K CA -0.634 55.720 56.287 0.111 0.000 0.826 402 K CB 2.568 35.073 32.500 0.008 0.000 1.331 402 K HN 0.713 nan 8.250 nan 0.000 0.437 403 T N 1.293 115.882 114.554 0.059 0.000 2.945 403 T HA 0.740 5.132 4.350 0.070 0.000 0.286 403 T C -1.231 173.534 174.700 0.109 0.000 1.025 403 T CA -0.576 61.544 62.100 0.032 0.000 1.039 403 T CB 0.363 69.197 68.868 -0.056 0.000 1.068 403 T HN 0.438 nan 8.240 nan 0.000 0.497 404 F N 0.489 120.390 119.950 -0.082 0.000 2.685 404 F HA 0.695 5.264 4.527 0.071 0.000 0.315 404 F C 0.560 176.318 175.800 -0.070 0.000 1.126 404 F CA -0.641 57.324 58.000 -0.058 0.000 0.950 404 F CB 1.054 40.030 39.000 -0.040 0.000 1.360 404 F HN 0.468 nan 8.300 nan 0.000 0.469 405 S N -1.257 114.499 115.700 0.094 0.000 2.830 405 S HA 0.216 4.728 4.470 0.070 0.000 0.249 405 S C 0.464 175.324 174.600 0.435 0.000 1.084 405 S CA 0.589 58.820 58.200 0.051 0.000 0.852 405 S CB -0.242 62.949 63.200 -0.016 0.000 0.802 405 S HN 0.995 nan 8.310 nan 0.000 0.481 406 T N 0.372 115.189 114.554 0.437 0.000 2.875 406 T HA 0.497 4.889 4.350 0.070 0.000 0.284 406 T C 0.705 175.652 174.700 0.412 0.000 0.995 406 T CA -0.450 61.875 62.100 0.374 0.000 1.060 406 T CB 2.039 71.028 68.868 0.202 0.000 0.967 406 T HN 0.292 nan 8.240 nan 0.000 0.476 407 E N 1.120 121.555 120.200 0.392 0.000 2.114 407 E HA -0.306 4.086 4.350 0.070 0.000 0.199 407 E C 1.767 178.419 176.600 0.087 0.000 1.008 407 E CA 1.807 58.400 56.400 0.322 0.000 0.810 407 E CB -0.035 29.794 29.700 0.216 0.000 0.739 407 E HN 0.892 nan 8.360 nan 0.000 0.456 408 E N 0.143 120.387 120.200 0.073 0.000 2.106 408 E HA -0.236 4.156 4.350 0.070 0.000 0.192 408 E C 2.047 178.651 176.600 0.007 0.000 0.984 408 E CA 1.091 57.505 56.400 0.023 0.000 0.806 408 E CB -0.026 29.693 29.700 0.030 0.000 0.750 408 E HN 0.354 nan 8.360 nan 0.000 0.458 409 E N -0.211 120.013 120.200 0.039 0.000 2.106 409 E HA -0.168 4.224 4.350 0.070 0.000 0.192 409 E C 1.893 178.455 176.600 -0.063 0.000 0.984 409 E CA 0.810 57.229 56.400 0.032 0.000 0.806 409 E CB -0.046 29.721 29.700 0.112 0.000 0.750 409 E HN 0.293 nan 8.360 nan 0.000 0.458 410 A N 1.048 123.709 122.820 -0.266 0.000 1.898 410 A HA -0.142 4.219 4.320 0.070 0.000 0.216 410 A C 2.116 179.547 177.584 -0.256 0.000 1.181 410 A CA 1.067 52.747 52.037 -0.595 0.000 0.620 410 A CB -0.519 17.597 19.000 -1.473 0.000 0.819 410 A HN 0.288 nan 8.150 nan 0.000 0.442 411 I N -0.143 120.326 120.570 -0.168 0.000 2.226 411 I HA -0.230 3.982 4.170 0.070 0.000 0.245 411 I C 1.840 177.953 176.117 -0.006 0.000 1.100 411 I CA 1.463 62.704 61.300 -0.098 0.000 1.374 411 I CB -0.410 37.519 38.000 -0.118 0.000 1.057 411 I HN 0.236 nan 8.210 nan 0.000 0.413 412 D N 0.781 121.180 120.400 -0.001 0.000 2.144 412 D HA -0.126 4.556 4.640 0.070 0.000 0.199 412 D C 2.352 178.708 176.300 0.093 0.000 0.984 412 D CA 1.188 55.212 54.000 0.040 0.000 0.834 412 D CB -0.224 40.594 40.800 0.030 0.000 0.955 412 D HN 0.283 nan 8.370 nan 0.000 0.465 413 L N 0.623 121.905 121.223 0.098 0.000 2.046 413 L HA -0.150 4.232 4.340 0.070 0.000 0.208 413 L C 2.511 179.543 176.870 0.270 0.000 1.077 413 L CA 1.112 56.087 54.840 0.225 0.000 0.747 413 L CB -0.361 41.814 42.059 0.193 0.000 0.896 413 L HN -0.020 nan 8.230 nan 0.000 0.432 414 A N -0.013 122.907 122.820 0.167 0.000 1.933 414 A HA -0.179 4.182 4.320 0.070 0.000 0.218 414 A C 1.812 179.487 177.584 0.151 0.000 1.175 414 A CA 1.784 53.933 52.037 0.186 0.000 0.628 414 A CB -0.417 18.802 19.000 0.367 0.000 0.814 414 A HN 0.444 nan 8.150 nan 0.000 0.444 415 N N 0.121 118.909 118.700 0.146 0.000 2.336 415 N HA 0.017 4.799 4.740 0.070 0.000 0.189 415 N C -0.331 175.239 175.510 0.101 0.000 1.113 415 N CA 0.313 53.429 53.050 0.110 0.000 0.858 415 N CB -0.030 38.513 38.487 0.092 0.000 0.970 415 N HN 0.470 nan 8.380 nan 0.000 0.471 416 D N 0.859 121.351 120.400 0.154 0.000 2.600 416 D HA 0.086 4.767 4.640 0.070 0.000 0.226 416 D C -0.698 175.701 176.300 0.166 0.000 1.119 416 D CA 0.265 54.386 54.000 0.202 0.000 1.051 416 D CB -0.135 40.872 40.800 0.344 0.000 1.106 416 D HN -0.089 nan 8.370 nan 0.000 0.491 417 T N 0.219 114.820 114.554 0.077 0.000 3.003 417 T HA 0.112 4.503 4.350 0.070 0.000 0.354 417 T C 0.927 175.607 174.700 -0.034 0.000 1.651 417 T CA -0.269 61.847 62.100 0.027 0.000 1.103 417 T CB 0.576 69.455 68.868 0.017 0.000 1.450 417 T HN -0.027 nan 8.240 nan 0.000 0.484 418 V N 1.847 121.668 119.914 -0.154 0.000 2.970 418 V HA 0.261 4.423 4.120 0.070 0.000 0.260 418 V C 0.833 176.726 176.094 -0.334 0.000 1.100 418 V CA 0.795 62.923 62.300 -0.286 0.000 1.122 418 V CB -1.511 30.054 31.823 -0.429 0.000 0.721 418 V HN 0.734 nan 8.190 nan 0.000 0.483 419 Y N 0.774 121.055 120.300 -0.033 0.000 2.418 419 Y HA 0.727 5.315 4.550 0.062 0.000 0.327 419 Y C 1.199 177.064 175.900 -0.058 0.000 1.309 419 Y CA -0.043 58.029 58.100 -0.046 0.000 1.423 419 Y CB 1.137 39.559 38.460 -0.063 0.000 1.423 419 Y HN 0.048 nan 8.280 nan 0.000 0.532 420 G N 0.253 109.122 108.800 0.116 0.000 5.312 420 G HA2 0.153 4.155 3.960 0.070 0.000 0.204 420 G HA3 0.153 4.155 3.960 0.070 0.000 0.204 420 G C -0.380 174.478 174.900 -0.070 0.000 1.097 420 G CA -0.281 44.818 45.100 -0.002 0.000 0.621 420 G HN 0.499 nan 8.290 nan 0.000 0.290 421 L N 0.967 122.139 121.223 -0.084 0.000 1.995 421 L HA 0.655 5.037 4.340 0.070 0.000 0.206 421 L C 1.423 178.120 176.870 -0.288 0.000 1.098 421 L CA 2.265 56.998 54.840 -0.180 0.000 0.762 421 L CB -0.552 41.429 42.059 -0.131 0.000 0.900 421 L HN 0.285 nan 8.230 nan 0.000 0.441 422 G N -2.017 106.653 108.800 -0.217 0.000 2.597 422 G HA2 0.716 4.717 3.960 0.070 0.000 0.317 422 G HA3 0.716 4.717 3.960 0.070 0.000 0.317 422 G C -1.752 172.999 174.900 -0.248 0.000 1.230 422 G CA -0.135 44.827 45.100 -0.231 0.000 0.996 422 G HN 0.722 nan 8.290 nan 0.000 0.490 423 A N -1.595 121.053 122.820 -0.288 0.000 2.599 423 A HA 0.894 5.256 4.320 0.070 0.000 0.294 423 A C -0.875 176.510 177.584 -0.331 0.000 1.055 423 A CA 0.118 51.802 52.037 -0.588 0.000 0.683 423 A CB 1.084 19.229 19.000 -1.425 0.000 1.278 423 A HN 2.342 nan 8.150 nan 0.000 0.412 424 A N 0.410 123.059 122.820 -0.285 0.000 2.486 424 A HA 0.778 5.140 4.320 0.070 0.000 0.300 424 A C -1.162 176.547 177.584 0.208 0.000 1.048 424 A CA -0.464 51.612 52.037 0.064 0.000 0.696 424 A CB 1.537 20.594 19.000 0.096 0.000 1.278 424 A HN 1.846 nan 8.150 nan 0.000 0.405 425 V N 2.080 122.168 119.914 0.291 0.000 2.540 425 V HA 0.568 4.730 4.120 0.070 0.000 0.302 425 V C -0.549 175.658 176.094 0.189 0.000 1.035 425 V CA -0.286 62.201 62.300 0.312 0.000 0.873 425 V CB 1.458 33.467 31.823 0.310 0.000 0.992 425 V HN 0.720 nan 8.190 nan 0.000 0.428 426 I N 3.628 124.322 120.570 0.208 0.000 2.411 426 I HA 0.687 4.899 4.170 0.070 0.000 0.284 426 I C -0.239 176.015 176.117 0.229 0.000 1.012 426 I CA -0.006 61.390 61.300 0.159 0.000 1.119 426 I CB 1.776 39.850 38.000 0.124 0.000 1.261 426 I HN 0.730 nan 8.210 nan 0.000 0.448 427 S N 4.439 120.227 115.700 0.147 0.000 2.542 427 S HA 0.304 4.815 4.470 0.070 0.000 0.276 427 S C 0.127 174.749 174.600 0.036 0.000 1.148 427 S CA -0.722 57.541 58.200 0.104 0.000 0.886 427 S CB 1.358 64.559 63.200 0.001 0.000 1.109 427 S HN 0.571 nan 8.310 nan 0.000 0.458 428 N N 1.959 120.678 118.700 0.032 0.000 2.381 428 N HA -0.031 4.751 4.740 0.070 0.000 0.182 428 N C -0.016 175.482 175.510 -0.019 0.000 1.025 428 N CA 0.681 53.740 53.050 0.016 0.000 0.888 428 N CB -0.220 38.283 38.487 0.028 0.000 0.965 428 N HN 0.716 nan 8.380 nan 0.000 0.438 429 D N 1.083 121.448 120.400 -0.058 0.000 2.383 429 D HA 0.016 4.698 4.640 0.070 0.000 0.245 429 D C 1.010 177.249 176.300 -0.101 0.000 1.263 429 D CA -0.309 53.636 54.000 -0.091 0.000 0.936 429 D CB 0.376 41.090 40.800 -0.144 0.000 1.053 429 D HN -0.158 nan 8.370 nan 0.000 0.507 430 L N 3.476 124.659 121.223 -0.066 0.000 2.141 430 L HA -0.077 4.305 4.340 0.070 0.000 0.209 430 L C 2.142 178.967 176.870 -0.075 0.000 1.094 430 L CA 1.356 56.162 54.840 -0.058 0.000 0.763 430 L CB -0.486 41.552 42.059 -0.035 0.000 0.908 430 L HN 0.500 nan 8.230 nan 0.000 0.437 431 E N -0.912 119.239 120.200 -0.082 0.000 2.150 431 E HA -0.231 4.161 4.350 0.070 0.000 0.193 431 E C 2.255 178.781 176.600 -0.124 0.000 0.985 431 E CA 0.714 57.062 56.400 -0.088 0.000 0.814 431 E CB -0.027 29.628 29.700 -0.075 0.000 0.752 431 E HN 0.385 nan 8.360 nan 0.000 0.466 432 R N 0.605 121.002 120.500 -0.172 0.000 2.075 432 R HA -0.107 4.274 4.340 0.070 0.000 0.232 432 R C 2.350 178.504 176.300 -0.242 0.000 1.126 432 R CA 1.410 57.353 56.100 -0.263 0.000 0.963 432 R CB -0.339 29.706 30.300 -0.426 0.000 0.858 432 R HN 0.142 nan 8.270 nan 0.000 0.435 433 C N 0.792 119.988 119.300 -0.175 0.000 2.393 433 C HA -0.138 4.363 4.460 0.070 0.000 0.276 433 C C 2.523 177.461 174.990 -0.088 0.000 1.215 433 C CA 1.386 60.346 59.018 -0.097 0.000 1.743 433 C CB -0.938 26.775 27.740 -0.046 0.000 2.044 433 C HN 0.661 nan 8.230 nan 0.000 0.464 434 E N 0.321 120.470 120.200 -0.085 0.000 2.085 434 E HA -0.231 4.160 4.350 0.070 0.000 0.194 434 E C 2.397 178.937 176.600 -0.100 0.000 0.994 434 E CA 1.219 57.573 56.400 -0.076 0.000 0.801 434 E CB -0.147 29.513 29.700 -0.066 0.000 0.743 434 E HN 0.517 nan 8.360 nan 0.000 0.453 435 R N -0.282 120.143 120.500 -0.124 0.000 2.073 435 R HA -0.110 4.271 4.340 0.070 0.000 0.234 435 R C 2.408 178.593 176.300 -0.191 0.000 1.134 435 R CA 1.508 57.525 56.100 -0.138 0.000 0.952 435 R CB -0.141 30.076 30.300 -0.138 0.000 0.850 435 R HN 0.143 nan 8.270 nan 0.000 0.433 436 V N 0.237 120.004 119.914 -0.246 0.000 2.515 436 V HA -0.201 3.961 4.120 0.070 0.000 0.250 436 V C 2.089 177.831 176.094 -0.585 0.000 1.058 436 V CA 1.951 63.985 62.300 -0.444 0.000 1.064 436 V CB -0.480 31.116 31.823 -0.379 0.000 0.675 436 V HN 0.412 nan 8.190 nan 0.000 0.461 437 T N -0.015 114.402 114.554 -0.229 0.000 2.643 437 T HA -0.232 4.160 4.350 0.070 0.000 0.264 437 T C 1.968 176.649 174.700 -0.032 0.000 1.045 437 T CA 1.729 63.821 62.100 -0.013 0.000 1.155 437 T CB -0.244 68.629 68.868 0.010 0.000 0.863 437 T HN 0.440 nan 8.240 nan 0.000 0.420 438 K N 1.060 121.412 120.400 -0.080 0.000 2.103 438 K HA -0.025 4.337 4.320 0.070 0.000 0.207 438 K C 2.489 179.047 176.600 -0.070 0.000 1.048 438 K CA 1.273 57.521 56.287 -0.064 0.000 0.930 438 K CB -0.244 32.215 32.500 -0.068 0.000 0.716 438 K HN 0.295 nan 8.250 nan 0.000 0.444 439 A N 0.769 123.504 122.820 -0.142 0.000 2.016 439 A HA -0.015 4.347 4.320 0.070 0.000 0.217 439 A C 0.363 177.907 177.584 -0.067 0.000 1.162 439 A CA 0.348 52.303 52.037 -0.136 0.000 0.662 439 A CB -0.301 18.577 19.000 -0.204 0.000 0.812 439 A HN 0.097 nan 8.150 nan 0.000 0.450 440 F N 1.366 121.289 119.950 -0.045 0.000 2.602 440 F HA 0.104 4.675 4.527 0.073 0.000 0.385 440 F C 0.912 176.675 175.800 -0.062 0.000 1.063 440 F CA 0.115 58.083 58.000 -0.053 0.000 1.233 440 F CB 0.374 39.333 39.000 -0.067 0.000 1.067 440 F HN 0.058 nan 8.300 nan 0.000 0.564 441 K N 3.876 124.377 120.400 0.169 0.000 2.180 441 K HA 0.605 4.967 4.320 0.070 0.000 0.250 441 K C -0.309 176.293 176.600 0.004 0.000 1.135 441 K CA -0.181 56.141 56.287 0.057 0.000 1.037 441 K CB 0.231 32.755 32.500 0.039 0.000 1.624 441 K HN 0.645 nan 8.250 nan 0.000 0.382 442 A N 0.210 123.006 122.820 -0.041 0.000 2.594 442 A HA 0.615 4.976 4.320 0.070 0.000 0.291 442 A C 0.734 178.204 177.584 -0.190 0.000 1.105 442 A CA -0.630 51.322 52.037 -0.142 0.000 0.694 442 A CB 1.318 20.176 19.000 -0.237 0.000 1.291 442 A HN 0.513 nan 8.150 nan 0.000 0.410 443 G N -0.463 108.176 108.800 -0.269 0.000 2.539 443 G HA2 0.383 4.384 3.960 0.070 0.000 0.215 443 G HA3 0.383 4.384 3.960 0.070 0.000 0.215 443 G C 0.209 174.838 174.900 -0.452 0.000 1.141 443 G CA 0.680 45.584 45.100 -0.327 0.000 0.806 443 G HN 0.548 nan 8.290 nan 0.000 0.533 444 I N 0.740 120.967 120.570 -0.573 0.000 2.478 444 I HA 0.403 4.615 4.170 0.070 0.000 0.287 444 I C -1.154 174.484 176.117 -0.798 0.000 1.042 444 I CA -0.807 60.010 61.300 -0.805 0.000 1.067 444 I CB 2.847 40.117 38.000 -1.217 0.000 1.233 444 I HN -0.287 nan 8.210 nan 0.000 0.431 445 V N 4.940 124.441 119.914 -0.688 0.000 2.540 445 V HA 0.440 4.602 4.120 0.070 0.000 0.302 445 V C -0.949 174.864 176.094 -0.467 0.000 1.035 445 V CA -0.564 61.462 62.300 -0.457 0.000 0.873 445 V CB 2.194 33.941 31.823 -0.127 0.000 0.992 445 V HN 0.584 nan 8.190 nan 0.000 0.428 446 W N 3.307 124.540 121.300 -0.111 0.000 2.478 446 W HA 0.665 5.367 4.660 0.069 0.000 0.318 446 W C -0.837 175.626 176.519 -0.094 0.000 1.062 446 W CA -0.661 56.615 57.345 -0.116 0.000 1.210 446 W CB 2.063 31.423 29.460 -0.166 0.000 1.325 446 W HN 0.278 nan 8.180 nan 0.000 0.496 447 V N 4.687 124.660 119.914 0.099 0.000 2.384 447 V HA 0.154 4.315 4.120 0.070 0.000 0.287 447 V C 0.399 176.464 176.094 -0.047 0.000 1.020 447 V CA -0.787 61.536 62.300 0.039 0.000 0.850 447 V CB 1.210 33.047 31.823 0.022 0.000 0.987 447 V HN 0.674 nan 8.190 nan 0.000 0.436 448 N N 1.808 120.469 118.700 -0.065 0.000 2.714 448 N HA -0.184 4.597 4.740 0.070 0.000 0.250 448 N C -0.166 175.052 175.510 -0.487 0.000 1.117 448 N CA 1.364 54.333 53.050 -0.135 0.000 0.719 448 N CB -1.067 37.400 38.487 -0.033 0.000 1.081 448 N HN 1.044 nan 8.380 nan 0.000 0.557 449 C N -4.523 114.349 119.300 -0.714 0.000 3.276 449 C HA 0.862 5.364 4.460 0.070 0.000 0.370 449 C C -0.237 174.200 174.990 -0.923 0.000 1.624 449 C CA -0.505 57.482 59.018 -1.719 0.000 1.179 449 C CB 2.022 28.658 27.740 -1.841 0.000 1.909 449 C HN 0.340 nan 8.230 nan 0.000 0.434 450 S N 0.156 115.258 115.700 -0.998 0.000 2.605 450 S HA 0.560 5.072 4.470 0.070 0.000 0.279 450 S C -0.405 173.696 174.600 -0.832 0.000 1.166 450 S CA 0.215 57.989 58.200 -0.710 0.000 0.975 450 S CB 0.799 63.852 63.200 -0.245 0.000 1.111 450 S HN 1.240 nan 8.310 nan 0.000 0.465 451 Q N -0.037 118.585 119.800 -1.962 0.000 5.729 451 Q HA -0.081 4.300 4.340 0.070 0.000 0.277 451 Q C -2.496 173.271 176.000 -0.389 0.000 0.982 451 Q CA 1.101 56.211 55.803 -1.155 0.000 0.819 451 Q CB -2.917 25.619 28.738 -0.336 0.000 0.574 451 Q HN 0.611 nan 8.270 nan 0.000 1.031 452 P HA 0.078 nan 4.420 nan 0.000 0.262 452 P C -0.239 177.224 177.300 0.271 0.000 1.182 452 P CA 0.367 63.456 63.100 -0.018 0.000 0.761 452 P CB 0.446 32.190 31.700 0.072 0.000 0.795 453 C N 6.264 125.543 119.300 -0.035 0.000 2.346 453 C HA 0.600 5.101 4.460 0.070 0.000 0.326 453 C C -1.050 173.820 174.990 -0.200 0.000 1.224 453 C CA -0.676 58.384 59.018 0.070 0.000 1.408 453 C CB -1.247 26.480 27.740 -0.021 0.000 2.089 453 C HN 0.412 nan 8.230 nan 0.000 0.456 454 F N 4.139 124.131 119.950 0.069 0.000 2.443 454 F HA 0.358 4.923 4.527 0.064 0.000 0.335 454 F C 1.718 177.416 175.800 -0.169 0.000 1.104 454 F CA -0.282 57.707 58.000 -0.017 0.000 1.013 454 F CB 1.824 40.825 39.000 0.001 0.000 1.136 454 F HN 0.556 nan 8.300 nan 0.000 0.470 455 T N 0.339 114.839 114.554 -0.089 0.000 2.881 455 T HA -0.190 4.202 4.350 0.070 0.000 0.270 455 T C 1.640 175.989 174.700 -0.586 0.000 1.068 455 T CA 1.330 63.201 62.100 -0.383 0.000 1.131 455 T CB -0.179 68.454 68.868 -0.392 0.000 0.871 455 T HN 0.517 nan 8.240 nan 0.000 0.479 456 Q N 0.720 120.258 119.800 -0.435 0.000 2.364 456 Q HA 0.284 4.666 4.340 0.070 0.000 0.207 456 Q C 0.763 176.709 176.000 -0.090 0.000 0.970 456 Q CA 0.540 56.126 55.803 -0.361 0.000 0.888 456 Q CB -0.050 28.604 28.738 -0.140 0.000 0.951 456 Q HN 0.545 nan 8.270 nan 0.000 0.469 457 A N 1.411 124.198 122.820 -0.055 0.000 2.330 457 A HA 0.567 4.929 4.320 0.070 0.000 0.327 457 A C -2.493 175.053 177.584 -0.063 0.000 1.155 457 A CA -1.982 50.043 52.037 -0.020 0.000 0.803 457 A CB 0.591 19.589 19.000 -0.003 0.000 1.208 457 A HN -0.071 nan 8.150 nan 0.000 0.477 458 P HA 0.005 nan 4.420 nan 0.000 0.265 458 P C -0.855 176.320 177.300 -0.207 0.000 1.193 458 P CA 0.311 63.190 63.100 -0.368 0.000 0.765 458 P CB 0.442 31.478 31.700 -1.107 0.000 0.823 459 W N 3.926 125.034 121.300 -0.320 0.000 2.715 459 W HA 0.550 5.209 4.660 -0.002 0.000 0.331 459 W C -0.949 175.471 176.519 -0.165 0.000 1.031 459 W CA 0.008 57.207 57.345 -0.244 0.000 1.237 459 W CB 2.468 31.766 29.460 -0.271 0.000 1.378 459 W HN 0.706 nan 8.180 nan 0.000 0.454 460 G N 1.912 110.434 108.800 -0.462 0.000 2.338 460 G HA2 0.439 4.441 3.960 0.070 0.000 0.295 460 G HA3 0.439 4.441 3.960 0.070 0.000 0.295 460 G C -1.456 173.248 174.900 -0.327 0.000 1.461 460 G CA -0.189 44.751 45.100 -0.266 0.000 0.817 460 G HN 0.695 nan 8.290 nan 0.000 0.556 461 G N -1.632 107.058 108.800 -0.184 0.000 2.597 461 G HA2 0.932 4.934 3.960 0.070 0.000 0.317 461 G HA3 0.932 4.934 3.960 0.070 0.000 0.317 461 G C 0.034 174.892 174.900 -0.069 0.000 1.230 461 G CA 0.125 45.135 45.100 -0.150 0.000 0.996 461 G HN 1.819 nan 8.290 nan 0.000 0.490 462 V N -2.515 117.368 119.914 -0.052 0.000 3.229 462 V HA 0.807 4.968 4.120 0.070 0.000 0.310 462 V C 0.857 176.963 176.094 0.020 0.000 1.206 462 V CA -0.520 61.776 62.300 -0.007 0.000 1.051 462 V CB 0.905 32.712 31.823 -0.027 0.000 1.183 462 V HN 1.034 nan 8.190 nan 0.000 0.466 463 K N -1.020 119.395 120.400 0.024 0.000 1.931 463 K HA -0.307 4.055 4.320 0.070 0.000 0.126 463 K C 1.293 177.913 176.600 0.033 0.000 1.372 463 K CA 2.052 58.348 56.287 0.015 0.000 0.483 463 K CB -0.941 31.553 32.500 -0.010 0.000 0.562 463 K HN 0.751 nan 8.250 nan 0.000 0.923 464 R N 0.993 121.489 120.500 -0.007 0.000 2.328 464 R HA 0.131 4.513 4.340 0.070 0.000 0.200 464 R C 0.767 177.168 176.300 0.169 0.000 0.983 464 R CA 1.052 57.152 56.100 0.000 0.000 1.062 464 R CB 0.082 30.221 30.300 -0.268 0.000 0.956 464 R HN 0.369 nan 8.270 nan 0.000 0.479 465 S N -0.414 115.381 115.700 0.157 0.000 2.634 465 S HA 0.371 4.883 4.470 0.070 0.000 0.221 465 S C 0.439 175.057 174.600 0.031 0.000 0.952 465 S CA 0.312 58.589 58.200 0.128 0.000 0.930 465 S CB 0.517 63.760 63.200 0.072 0.000 0.780 465 S HN 0.640 nan 8.310 nan 0.000 0.498 466 G N 1.652 110.465 108.800 0.022 0.000 2.582 466 G HA2 -0.029 3.972 3.960 0.070 0.000 0.222 466 G HA3 -0.029 3.972 3.960 0.070 0.000 0.222 466 G C -0.826 174.063 174.900 -0.018 0.000 1.311 466 G CA -0.475 44.550 45.100 -0.125 0.000 0.915 466 G HN 0.600 nan 8.290 nan 0.000 0.528 467 F N -2.178 117.794 119.950 0.037 0.000 2.662 467 F HA 0.853 5.451 4.527 0.119 0.000 0.312 467 F C 0.612 176.428 175.800 0.027 0.000 1.113 467 F CA -0.311 57.699 58.000 0.016 0.000 0.951 467 F CB 1.376 40.384 39.000 0.014 0.000 1.344 467 F HN 2.496 nan 8.300 nan 0.000 0.462 468 G N 1.436 110.408 108.800 0.286 0.000 2.712 468 G HA2 0.180 4.181 3.960 0.070 0.000 0.686 468 G HA3 0.180 4.181 3.960 0.070 0.000 0.686 468 G C -1.673 173.276 174.900 0.082 0.000 1.321 468 G CA -1.238 43.972 45.100 0.184 0.000 0.813 468 G HN 0.782 nan 8.290 nan 0.000 0.599 469 R N 0.898 121.446 120.500 0.080 0.000 2.599 469 R HA 0.554 4.936 4.340 0.070 0.000 0.295 469 R C 0.307 176.676 176.300 0.115 0.000 0.963 469 R CA -0.629 55.481 56.100 0.015 0.000 0.883 469 R CB 1.795 31.975 30.300 -0.200 0.000 1.171 469 R HN 0.783 nan 8.270 nan 0.000 0.450 470 E N 1.816 122.083 120.200 0.112 0.000 2.285 470 E HA 0.580 4.972 4.350 0.070 0.000 0.254 470 E C -0.133 176.494 176.600 0.044 0.000 1.011 470 E CA -0.976 55.491 56.400 0.112 0.000 0.873 470 E CB 1.247 31.015 29.700 0.113 0.000 1.229 470 E HN 0.270 nan 8.360 nan 0.000 0.422 471 L N -0.690 120.531 121.223 -0.002 0.000 0.587 471 L HA -0.306 4.075 4.340 0.070 0.000 0.356 471 L C 0.791 177.779 176.870 0.197 0.000 0.981 471 L CA 0.780 55.594 54.840 -0.044 0.000 1.223 471 L CB -1.576 40.234 42.059 -0.415 0.000 0.020 471 L HN 1.022 nan 8.230 nan 0.000 0.091 472 G N 0.334 109.197 108.800 0.105 0.000 2.575 472 G HA2 -0.298 3.704 3.960 0.070 0.000 0.267 472 G HA3 -0.298 3.704 3.960 0.070 0.000 0.267 472 G C 0.385 175.559 174.900 0.455 0.000 1.264 472 G CA 0.777 46.047 45.100 0.283 0.000 0.935 472 G HN 0.921 nan 8.290 nan 0.000 0.568 473 E N -0.459 119.958 120.200 0.362 0.000 2.208 473 E HA -0.010 4.382 4.350 0.070 0.000 0.193 473 E C 2.203 178.862 176.600 0.098 0.000 0.988 473 E CA 1.047 57.520 56.400 0.121 0.000 0.828 473 E CB -0.041 29.573 29.700 -0.144 0.000 0.763 473 E HN 0.541 nan 8.360 nan 0.000 0.478 474 W N 0.509 121.878 121.300 0.115 0.000 2.338 474 W HA -0.129 4.565 4.660 0.057 0.000 0.304 474 W C 2.277 178.865 176.519 0.114 0.000 1.212 474 W CA 1.163 58.560 57.345 0.087 0.000 1.264 474 W CB -0.755 28.738 29.460 0.055 0.000 1.142 474 W HN 0.235 nan 8.180 nan 0.000 0.512 475 G N 0.779 109.836 108.800 0.428 0.000 2.446 475 G HA2 -0.282 3.720 3.960 0.070 0.000 0.217 475 G HA3 -0.282 3.720 3.960 0.070 0.000 0.217 475 G C 1.434 176.522 174.900 0.314 0.000 1.168 475 G CA 1.056 46.361 45.100 0.343 0.000 0.771 475 G HN 0.157 nan 8.290 nan 0.000 0.551 476 L N 0.939 122.400 121.223 0.396 0.000 2.046 476 L HA 0.005 4.387 4.340 0.070 0.000 0.208 476 L C 1.965 178.951 176.870 0.192 0.000 1.077 476 L CA 2.071 57.092 54.840 0.302 0.000 0.747 476 L CB -0.503 41.734 42.059 0.297 0.000 0.896 476 L HN 0.088 nan 8.230 nan 0.000 0.432 477 D N -0.676 119.793 120.400 0.115 0.000 2.264 477 D HA -0.136 4.546 4.640 0.070 0.000 0.208 477 D C 1.806 178.109 176.300 0.006 0.000 0.966 477 D CA 0.941 54.964 54.000 0.038 0.000 0.864 477 D CB -0.353 40.431 40.800 -0.027 0.000 0.933 477 D HN 0.529 nan 8.370 nan 0.000 0.499 478 N N -0.829 117.846 118.700 -0.040 0.000 2.443 478 N HA -0.133 4.648 4.740 0.070 0.000 0.184 478 N C 0.468 175.678 175.510 -0.500 0.000 1.037 478 N CA 0.568 53.448 53.050 -0.282 0.000 0.896 478 N CB 0.042 38.260 38.487 -0.449 0.000 0.959 478 N HN 0.298 nan 8.380 nan 0.000 0.442 479 Y N -0.081 120.250 120.300 0.052 0.000 2.531 479 Y HA 0.358 4.961 4.550 0.088 0.000 0.249 479 Y C -0.329 175.593 175.900 0.038 0.000 1.168 479 Y CA -0.359 57.768 58.100 0.045 0.000 1.226 479 Y CB 0.600 39.082 38.460 0.037 0.000 1.177 479 Y HN -0.113 nan 8.280 nan 0.000 0.527 480 L N 1.047 122.331 121.223 0.101 0.000 2.313 480 L HA 0.434 4.815 4.340 0.070 0.000 0.283 480 L C -0.017 176.874 176.870 0.036 0.000 1.013 480 L CA -0.890 53.991 54.840 0.068 0.000 0.816 480 L CB 1.637 43.727 42.059 0.051 0.000 1.236 480 L HN 0.006 nan 8.230 nan 0.000 0.419 481 S N 2.041 117.762 115.700 0.036 0.000 2.562 481 S HA 0.562 5.074 4.470 0.070 0.000 0.275 481 S C -0.216 174.391 174.600 0.011 0.000 1.281 481 S CA -0.855 57.358 58.200 0.020 0.000 1.045 481 S CB 1.726 64.940 63.200 0.023 0.000 0.962 481 S HN 0.251 nan 8.310 nan 0.000 0.503 482 V N 3.114 123.029 119.914 0.001 0.000 2.432 482 V HA 0.408 4.569 4.120 0.070 0.000 0.275 482 V C 0.307 176.394 176.094 -0.011 0.000 1.043 482 V CA -0.439 61.857 62.300 -0.006 0.000 0.925 482 V CB 1.020 32.835 31.823 -0.012 0.000 0.985 482 V HN 0.945 nan 8.190 nan 0.000 0.466 483 K N 4.973 125.365 120.400 -0.013 0.000 2.394 483 K HA 0.399 4.760 4.320 0.070 0.000 0.260 483 K C -0.308 176.261 176.600 -0.052 0.000 0.967 483 K CA -0.549 55.722 56.287 -0.027 0.000 0.855 483 K CB 1.310 33.799 32.500 -0.019 0.000 1.101 483 K HN 0.786 nan 8.250 nan 0.000 0.433 484 Q N 3.548 123.309 119.800 -0.066 0.000 2.286 484 Q HA 0.243 4.624 4.340 0.070 0.000 0.257 484 Q C -1.298 174.617 176.000 -0.143 0.000 0.941 484 Q CA -0.530 55.214 55.803 -0.099 0.000 0.912 484 Q CB 1.193 29.882 28.738 -0.082 0.000 1.192 484 Q HN 0.397 nan 8.270 nan 0.000 0.410 485 V N 4.201 123.966 119.914 -0.249 0.000 2.380 485 V HA 0.311 4.473 4.120 0.070 0.000 0.286 485 V C -0.586 175.357 176.094 -0.252 0.000 1.015 485 V CA -0.654 61.469 62.300 -0.295 0.000 0.834 485 V CB 1.646 33.185 31.823 -0.473 0.000 1.009 485 V HN 0.824 nan 8.190 nan 0.000 0.428 486 T N 5.049 119.538 114.554 -0.107 0.000 2.770 486 T HA 0.466 4.858 4.350 0.070 0.000 0.283 486 T C -0.534 174.221 174.700 0.091 0.000 0.988 486 T CA -0.296 61.799 62.100 -0.009 0.000 0.957 486 T CB 1.415 70.259 68.868 -0.041 0.000 0.930 486 T HN 0.727 nan 8.240 nan 0.000 0.443 487 Q N 2.948 122.850 119.800 0.170 0.000 2.325 487 Q HA 0.339 4.721 4.340 0.070 0.000 0.270 487 Q C -1.495 174.632 176.000 0.212 0.000 1.020 487 Q CA -0.870 55.035 55.803 0.170 0.000 0.785 487 Q CB 1.154 29.951 28.738 0.099 0.000 1.259 487 Q HN 0.686 nan 8.270 nan 0.000 0.452 488 Y N 5.517 125.800 120.300 -0.028 0.000 2.605 488 Y HA 0.092 4.684 4.550 0.069 0.000 0.336 488 Y C 0.500 176.246 175.900 -0.256 0.000 1.111 488 Y CA 0.260 58.113 58.100 -0.411 0.000 1.422 488 Y CB 0.410 38.646 38.460 -0.373 0.000 1.193 488 Y HN 0.703 nan 8.280 nan 0.000 0.526 489 I N 1.264 121.482 120.570 -0.586 0.000 4.081 489 I HA 0.338 4.550 4.170 0.070 0.000 0.333 489 I C 0.411 176.226 176.117 -0.504 0.000 1.413 489 I CA -0.239 60.823 61.300 -0.397 0.000 1.110 489 I CB 0.277 38.156 38.000 -0.203 0.000 1.082 489 I HN 0.407 nan 8.210 nan 0.000 0.402 490 S N 1.205 116.346 115.700 -0.932 0.000 2.586 490 S HA 0.277 4.788 4.470 0.070 0.000 0.274 490 S C 0.793 175.104 174.600 -0.481 0.000 1.281 490 S CA -0.225 57.569 58.200 -0.677 0.000 1.035 490 S CB 1.189 63.966 63.200 -0.705 0.000 0.962 490 S HN 0.425 nan 8.310 nan 0.000 0.512 491 E N 1.093 121.169 120.200 -0.208 0.000 2.447 491 E HA 0.099 4.491 4.350 0.070 0.000 0.195 491 E C -0.233 176.374 176.600 0.012 0.000 1.028 491 E CA 0.041 56.394 56.400 -0.079 0.000 0.876 491 E CB 0.238 29.908 29.700 -0.050 0.000 0.885 491 E HN 0.533 nan 8.360 nan 0.000 0.500 492 E N 1.676 121.891 120.200 0.025 0.000 2.373 492 E HA 0.091 4.483 4.350 0.070 0.000 0.267 492 E C -2.341 174.409 176.600 0.249 0.000 1.032 492 E CA -2.111 54.358 56.400 0.115 0.000 0.889 492 E CB 0.294 30.058 29.700 0.107 0.000 0.984 492 E HN -0.075 nan 8.360 nan 0.000 0.425 493 P HA -0.038 nan 4.420 nan 0.000 0.272 493 P C 0.534 178.055 177.300 0.369 0.000 1.223 493 P CA -0.201 63.065 63.100 0.277 0.000 0.784 493 P CB 0.411 32.224 31.700 0.189 0.000 0.923 494 W N 3.005 124.373 121.300 0.114 0.000 2.305 494 W HA -0.236 4.466 4.660 0.070 0.000 0.308 494 W C 1.034 177.645 176.519 0.152 0.000 1.226 494 W CA 1.465 58.850 57.345 0.066 0.000 1.253 494 W CB -0.395 29.067 29.460 0.004 0.000 1.146 494 W HN 0.688 nan 8.180 nan 0.000 0.507 495 G N -0.266 108.633 108.800 0.165 0.000 2.179 495 G HA2 -0.369 3.633 3.960 0.070 0.000 0.257 495 G HA3 -0.369 3.633 3.960 0.070 0.000 0.257 495 G C 0.319 175.145 174.900 -0.123 0.000 1.010 495 G CA 0.245 45.352 45.100 0.012 0.000 0.736 495 G HN 0.615 nan 8.290 nan 0.000 0.513 496 W N -0.550 120.516 121.300 -0.391 0.000 2.539 496 W HA 0.289 4.991 4.660 0.071 0.000 0.281 496 W C 0.061 176.351 176.519 -0.382 0.000 1.220 496 W CA 0.692 57.729 57.345 -0.514 0.000 1.332 496 W CB 0.321 29.364 29.460 -0.695 0.000 1.095 496 W HN 0.216 nan 8.180 nan 0.000 0.571 497 Y N 1.893 122.213 120.300 0.033 0.000 2.419 497 Y HA 0.228 4.820 4.550 0.069 0.000 0.328 497 Y C 0.596 176.466 175.900 -0.049 0.000 1.162 497 Y CA -0.485 57.600 58.100 -0.024 0.000 1.174 497 Y CB 0.515 39.050 38.460 0.125 0.000 1.228 497 Y HN -0.288 nan 8.280 nan 0.000 0.473 498 Q N 3.728 123.587 119.800 0.099 0.000 2.281 498 Q HA 0.192 4.573 4.340 0.070 0.000 0.267 498 Q C -2.207 173.837 176.000 0.073 0.000 1.053 498 Q CA -1.495 54.334 55.803 0.043 0.000 0.905 498 Q CB 0.463 29.205 28.738 0.005 0.000 1.195 498 Q HN 0.419 nan 8.270 nan 0.000 0.398 499 P HA 0.211 nan 4.420 nan 0.000 0.271 499 P C -2.372 174.949 177.300 0.034 0.000 1.218 499 P CA -1.087 62.046 63.100 0.055 0.000 0.780 499 P CB -0.257 31.473 31.700 0.051 0.000 0.901 500 P HA 0.169 nan 4.420 nan 0.000 0.265 500 P C -0.468 176.842 177.300 0.016 0.000 1.193 500 P CA -0.139 62.972 63.100 0.018 0.000 0.765 500 P CB 0.213 31.923 31.700 0.015 0.000 0.823 501 A N 3.099 125.926 122.820 0.011 0.000 2.561 501 A HA -0.014 4.347 4.320 0.070 0.000 0.234 501 A C 0.609 178.199 177.584 0.009 0.000 1.055 501 A CA 0.132 52.174 52.037 0.009 0.000 0.756 501 A CB -0.270 18.733 19.000 0.005 0.000 0.986 501 A HN 0.443 nan 8.150 nan 0.000 0.505 502 K N 1.759 122.164 120.400 0.010 0.000 2.054 502 K HA 0.399 4.761 4.320 0.070 0.000 0.242 502 K C -0.717 175.887 176.600 0.007 0.000 1.157 502 K CA 0.183 56.476 56.287 0.010 0.000 1.079 502 K CB -1.109 31.397 32.500 0.010 0.000 1.331 502 K HN 0.642 nan 8.250 nan 0.000 0.317 503 L N 0.000 121.227 121.223 0.007 0.000 2.949 503 L HA 0.000 4.382 4.340 0.070 0.000 0.249 503 L CA 0.000 54.843 54.840 0.005 0.000 0.813 503 L CB 0.000 42.062 42.059 0.004 0.000 0.961 503 L HN 0.000 nan 8.230 nan 0.000 0.502