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 1y4i_1_A DATA FIRST_RESID 2 DATA SEQUENCE SDCRTYGFNT QIVHAGQQPD PSTGALSTPI FQTSTFVFDS AEQGAARFAL DATA SEQUENCE EESGYIYTRL GNPTTDALEK KLAVLERGEA GLATASGISA ITTTLLTLCQ DATA SEQUENCE QGDHIVSASA IYGCTHAFLS HSMPKFGINV RFVDAGKPEE IRAAMRPETK DATA SEQUENCE VVYIETPANP TLSLVDIETV AGIAHQQGAL LVVDNTFMSP YCQQPLQLGA DATA SEQUENCE DIVVHSVTXY INGHGDVIGG IIVGKQEFID QARFVGLKDI TGGCMSPFNA DATA SEQUENCE WLTLRGVKTL GIRMERHCEN ALKIARFLEG HPSITRVYYP GLSSHPQYEL DATA SEQUENCE GQRQMSLPGG IISFEIAGGL EAGRRMINSV ELCLLAVSLG DTETLIQHPA DATA SEQUENCE SMTHSPVAPE ERLKAGITDG LIRLSVGLED PEDIINDLEH AIRKATF 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.598 174.600 -0.004 0.000 1.055 2 S CA 0.000 58.241 58.200 0.069 0.000 1.107 2 S CB 0.000 63.295 63.200 0.159 0.000 0.593 3 D N 0.838 121.178 120.400 -0.100 0.000 2.233 3 D HA 0.431 4.495 4.640 -0.960 0.000 0.240 3 D C 1.330 177.308 176.300 -0.537 0.000 1.074 3 D CA -0.381 53.496 54.000 -0.205 0.000 0.838 3 D CB 0.874 41.596 40.800 -0.130 0.000 1.124 3 D HN 0.554 nan 8.370 nan 0.000 0.475 4 C N 3.009 121.992 119.300 -0.529 0.000 2.396 4 C HA -0.144 3.740 4.460 -0.960 0.000 0.277 4 C C 2.228 176.870 174.990 -0.580 0.000 1.231 4 C CA 0.458 59.045 59.018 -0.719 0.000 1.775 4 C CB -0.905 26.682 27.740 -0.255 0.000 2.036 4 C HN 0.690 nan 8.230 nan 0.000 0.484 5 R N 0.799 121.106 120.500 -0.321 0.000 2.316 5 R HA -0.065 3.699 4.340 -0.960 0.000 0.202 5 R C 2.048 178.271 176.300 -0.128 0.000 1.029 5 R CA 1.583 57.585 56.100 -0.164 0.000 1.018 5 R CB -0.477 29.770 30.300 -0.088 0.000 0.888 5 R HN 0.820 nan 8.270 nan 0.000 0.471 6 T N -2.719 111.708 114.554 -0.210 0.000 3.057 6 T HA 0.054 3.828 4.350 -0.960 0.000 0.254 6 T C 0.534 175.292 174.700 0.096 0.000 1.094 6 T CA -0.033 62.036 62.100 -0.051 0.000 1.088 6 T CB -0.027 68.826 68.868 -0.024 0.000 0.934 6 T HN -0.106 nan 8.240 nan 0.000 0.497 7 Y N 2.351 122.667 120.300 0.027 0.000 2.299 7 Y HA 0.612 4.585 4.550 -0.961 0.000 0.335 7 Y C 1.583 177.518 175.900 0.058 0.000 1.287 7 Y CA -1.621 56.498 58.100 0.031 0.000 1.424 7 Y CB -0.511 37.962 38.460 0.022 0.000 1.326 7 Y HN 0.217 nan 8.280 nan 0.000 0.567 8 G N -0.049 108.898 108.800 0.246 0.000 2.699 8 G HA2 -0.007 3.377 3.960 -0.960 0.000 0.246 8 G HA3 -0.007 3.377 3.960 -0.960 0.000 0.246 8 G C 0.349 175.394 174.900 0.242 0.000 1.219 8 G CA -0.295 44.931 45.100 0.209 0.000 0.866 8 G HN 0.672 nan 8.290 nan 0.000 0.572 9 F N 0.325 120.342 119.950 0.111 0.000 2.186 9 F HA -0.069 3.883 4.527 -0.959 0.000 0.299 9 F C 2.506 178.402 175.800 0.160 0.000 1.090 9 F CA 1.454 59.527 58.000 0.122 0.000 1.307 9 F CB 0.145 39.194 39.000 0.082 0.000 1.019 9 F HN 0.388 nan 8.300 nan 0.000 0.489 10 N N -0.560 118.294 118.700 0.257 0.000 2.188 10 N HA -0.130 4.034 4.740 -0.960 0.000 0.184 10 N C 1.752 177.305 175.510 0.072 0.000 1.018 10 N CA 1.855 55.002 53.050 0.162 0.000 0.858 10 N CB -0.568 38.022 38.487 0.172 0.000 0.989 10 N HN 0.256 nan 8.380 nan 0.000 0.426 11 T N 1.846 116.463 114.554 0.105 0.000 2.746 11 T HA -0.138 3.636 4.350 -0.960 0.000 0.267 11 T C 1.987 176.811 174.700 0.206 0.000 1.039 11 T CA 1.167 63.349 62.100 0.137 0.000 1.142 11 T CB -0.161 68.751 68.868 0.074 0.000 0.866 11 T HN 0.327 nan 8.240 nan 0.000 0.444 12 Q N 0.184 120.063 119.800 0.132 0.000 2.050 12 Q HA -0.025 3.739 4.340 -0.960 0.000 0.202 12 Q C 2.401 178.336 176.000 -0.108 0.000 0.980 12 Q CA 1.246 57.062 55.803 0.021 0.000 0.840 12 Q CB -0.392 28.233 28.738 -0.189 0.000 0.898 12 Q HN 0.510 nan 8.270 nan 0.000 0.424 13 I N 0.034 120.468 120.570 -0.227 0.000 2.113 13 I HA -0.339 3.255 4.170 -0.960 0.000 0.242 13 I C 2.193 178.237 176.117 -0.121 0.000 1.064 13 I CA 1.241 62.434 61.300 -0.180 0.000 1.320 13 I CB -0.389 37.537 38.000 -0.123 0.000 1.028 13 I HN 0.088 nan 8.210 nan 0.000 0.406 14 V N -0.216 119.629 119.914 -0.115 0.000 2.358 14 V HA -0.252 3.292 4.120 -0.960 0.000 0.246 14 V C 2.198 178.099 176.094 -0.322 0.000 1.047 14 V CA 1.824 63.984 62.300 -0.234 0.000 1.035 14 V CB -0.743 30.905 31.823 -0.291 0.000 0.658 14 V HN 0.445 nan 8.190 nan 0.000 0.452 15 H N -0.704 118.383 119.070 0.028 0.000 2.557 15 H HA 0.416 4.397 4.556 -0.958 0.000 0.281 15 H C 1.350 176.729 175.328 0.085 0.000 0.990 15 H CA 0.534 56.631 56.048 0.082 0.000 1.278 15 H CB 0.127 29.992 29.762 0.172 0.000 1.451 15 H HN 0.436 nan 8.280 nan 0.000 0.516 16 A N 0.743 123.651 122.820 0.147 0.000 2.540 16 A HA 0.349 4.093 4.320 -0.960 0.000 0.239 16 A C 1.545 179.158 177.584 0.049 0.000 1.061 16 A CA 0.958 53.038 52.037 0.071 0.000 0.758 16 A CB -0.443 18.553 19.000 -0.007 0.000 0.991 16 A HN 0.611 nan 8.150 nan 0.000 0.502 17 G N 1.210 110.045 108.800 0.058 0.000 2.184 17 G HA2 -0.243 3.141 3.960 -0.960 0.000 0.264 17 G HA3 -0.243 3.141 3.960 -0.960 0.000 0.264 17 G C 0.168 175.121 174.900 0.088 0.000 0.975 17 G CA 0.888 46.028 45.100 0.067 0.000 0.642 17 G HN 0.989 nan 8.290 nan 0.000 0.536 18 Q N -0.143 119.716 119.800 0.100 0.000 2.365 18 Q HA 0.625 4.389 4.340 -0.960 0.000 0.269 18 Q C -0.099 175.982 176.000 0.135 0.000 1.061 18 Q CA -0.670 55.195 55.803 0.103 0.000 0.816 18 Q CB 1.643 30.420 28.738 0.065 0.000 1.325 18 Q HN 0.675 nan 8.270 nan 0.000 0.446 19 Q N 0.142 120.015 119.800 0.122 0.000 2.456 19 Q HA 0.671 4.435 4.340 -0.960 0.000 0.284 19 Q C -2.761 173.302 176.000 0.105 0.000 1.061 19 Q CA -2.365 53.511 55.803 0.122 0.000 0.799 19 Q CB 1.075 29.878 28.738 0.108 0.000 1.445 19 Q HN 0.243 nan 8.270 nan 0.000 0.411 20 P HA -0.021 nan 4.420 nan 0.000 0.266 20 P C -0.905 176.440 177.300 0.076 0.000 1.195 20 P CA 0.120 63.268 63.100 0.080 0.000 0.768 20 P CB 0.308 32.048 31.700 0.068 0.000 0.838 21 D N 3.694 124.140 120.400 0.076 0.000 2.487 21 D HA -0.022 4.042 4.640 -0.960 0.000 0.243 21 D C -1.410 174.926 176.300 0.059 0.000 1.154 21 D CA -0.975 53.072 54.000 0.079 0.000 0.876 21 D CB 0.422 41.269 40.800 0.077 0.000 1.161 21 D HN 0.185 nan 8.370 nan 0.000 0.478 22 P HA -0.143 nan 4.420 nan 0.000 0.217 22 P C 1.142 178.465 177.300 0.039 0.000 1.150 22 P CA 1.154 64.279 63.100 0.041 0.000 0.832 22 P CB 0.036 31.753 31.700 0.027 0.000 0.787 23 S N -1.832 113.894 115.700 0.044 0.000 2.436 23 S HA -0.054 3.840 4.470 -0.960 0.000 0.228 23 S C 1.720 176.336 174.600 0.027 0.000 1.014 23 S CA 1.584 59.806 58.200 0.037 0.000 0.950 23 S CB -1.485 61.741 63.200 0.044 0.000 0.784 23 S HN 0.289 nan 8.310 nan 0.000 0.504 24 T N -4.390 110.180 114.554 0.027 0.000 2.954 24 T HA 0.524 4.298 4.350 -0.960 0.000 0.252 24 T C 1.653 176.364 174.700 0.019 0.000 0.983 24 T CA 0.765 62.875 62.100 0.016 0.000 0.941 24 T CB -0.073 68.797 68.868 0.003 0.000 1.141 24 T HN 1.192 nan 8.240 nan 0.000 0.500 25 G N 2.050 110.867 108.800 0.029 0.000 2.184 25 G HA2 -0.089 3.295 3.960 -0.960 0.000 0.264 25 G HA3 -0.089 3.295 3.960 -0.960 0.000 0.264 25 G C 0.437 175.357 174.900 0.033 0.000 0.975 25 G CA 0.046 45.165 45.100 0.032 0.000 0.642 25 G HN 1.404 nan 8.290 nan 0.000 0.536 26 A N -0.241 122.596 122.820 0.029 0.000 2.573 26 A HA 0.461 4.205 4.320 -0.960 0.000 0.250 26 A C 1.518 179.133 177.584 0.051 0.000 1.049 26 A CA 1.033 53.089 52.037 0.031 0.000 0.767 26 A CB 0.232 19.241 19.000 0.015 0.000 0.965 26 A HN 1.358 nan 8.150 nan 0.000 0.514 27 L N 3.708 124.962 121.223 0.052 0.000 2.023 27 L HA 0.036 3.800 4.340 -0.960 0.000 0.205 27 L C 1.684 178.598 176.870 0.074 0.000 1.073 27 L CA 2.222 57.098 54.840 0.059 0.000 0.745 27 L CB -0.592 41.495 42.059 0.047 0.000 0.900 27 L HN 0.694 nan 8.230 nan 0.000 0.435 28 S N -0.028 115.728 115.700 0.094 0.000 2.549 28 S HA 0.042 3.936 4.470 -0.960 0.000 0.286 28 S C 0.212 174.927 174.600 0.192 0.000 1.314 28 S CA -0.376 57.917 58.200 0.154 0.000 1.062 28 S CB -0.209 63.141 63.200 0.250 0.000 0.865 28 S HN 0.469 nan 8.310 nan 0.000 0.498 29 T N 7.980 122.668 114.554 0.223 0.000 2.800 29 T HA 0.114 3.888 4.350 -0.960 0.000 0.283 29 T C -2.303 172.572 174.700 0.290 0.000 0.999 29 T CA -0.271 61.990 62.100 0.267 0.000 1.176 29 T CB -0.082 68.955 68.868 0.282 0.000 0.973 29 T HN 0.519 nan 8.240 nan 0.000 0.519 30 P HA 0.135 nan 4.420 nan 0.000 0.269 30 P C -0.089 177.070 177.300 -0.234 0.000 1.209 30 P CA -0.271 62.696 63.100 -0.222 0.000 0.776 30 P CB 0.274 31.631 31.700 -0.572 0.000 0.876 31 I N 2.998 123.297 120.570 -0.452 0.000 2.329 31 I HA 0.112 3.706 4.170 -0.960 0.000 0.295 31 I C 0.183 176.111 176.117 -0.316 0.000 1.109 31 I CA -0.079 61.024 61.300 -0.327 0.000 1.297 31 I CB -0.553 37.164 38.000 -0.471 0.000 1.433 31 I HN 0.236 nan 8.210 nan 0.000 0.509 32 F N 4.760 124.678 119.950 -0.053 0.000 2.661 32 F HA 0.131 4.086 4.527 -0.952 0.000 0.356 32 F C 1.133 176.902 175.800 -0.051 0.000 1.244 32 F CA -0.314 57.650 58.000 -0.059 0.000 1.290 32 F CB -0.101 38.890 39.000 -0.015 0.000 1.677 32 F HN 0.491 nan 8.300 nan 0.000 0.649 33 Q N 2.367 122.163 119.800 -0.006 0.000 2.844 33 Q HA 0.168 3.932 4.340 -0.960 0.000 0.235 33 Q C -0.237 175.730 176.000 -0.055 0.000 1.336 33 Q CA 0.037 55.834 55.803 -0.010 0.000 1.026 33 Q CB 0.315 29.013 28.738 -0.068 0.000 1.513 33 Q HN 0.408 nan 8.270 nan 0.000 0.577 34 T N -0.170 114.351 114.554 -0.054 0.000 2.906 34 T HA 0.492 4.266 4.350 -0.960 0.000 0.295 34 T C 0.604 175.233 174.700 -0.118 0.000 1.061 34 T CA 0.020 62.023 62.100 -0.162 0.000 1.000 34 T CB 1.269 69.917 68.868 -0.368 0.000 1.103 34 T HN 0.463 nan 8.240 nan 0.000 0.486 35 S N 1.280 116.909 115.700 -0.119 0.000 2.497 35 S HA 0.226 4.120 4.470 -0.960 0.000 0.218 35 S C 0.914 175.489 174.600 -0.043 0.000 1.023 35 S CA 0.373 58.553 58.200 -0.033 0.000 0.913 35 S CB -0.086 63.108 63.200 -0.009 0.000 0.800 35 S HN 0.950 nan 8.310 nan 0.000 0.505 36 T N -0.154 114.282 114.554 -0.198 0.000 2.887 36 T HA 0.742 4.516 4.350 -0.960 0.000 0.288 36 T C -1.296 173.126 174.700 -0.465 0.000 1.021 36 T CA -0.821 61.176 62.100 -0.171 0.000 1.000 36 T CB 1.199 69.995 68.868 -0.121 0.000 1.034 36 T HN 0.083 nan 8.240 nan 0.000 0.467 37 F N 1.486 121.340 119.950 -0.160 0.000 2.520 37 F HA 0.649 4.600 4.527 -0.959 0.000 0.322 37 F C -0.023 175.466 175.800 -0.518 0.000 1.103 37 F CA -0.975 56.880 58.000 -0.242 0.000 0.926 37 F CB 2.298 41.196 39.000 -0.169 0.000 1.154 37 F HN 0.435 nan 8.300 nan 0.000 0.453 38 V N 3.257 122.983 119.914 -0.314 0.000 2.716 38 V HA 0.396 3.940 4.120 -0.960 0.000 0.304 38 V C -0.437 175.340 176.094 -0.529 0.000 1.053 38 V CA -0.731 61.326 62.300 -0.406 0.000 0.984 38 V CB 1.476 33.201 31.823 -0.163 0.000 1.021 38 V HN 0.443 nan 8.190 nan 0.000 0.467 39 F N 1.423 121.399 119.950 0.043 0.000 2.470 39 F HA 0.402 4.355 4.527 -0.956 0.000 0.329 39 F C 1.026 176.845 175.800 0.032 0.000 1.072 39 F CA -1.253 56.771 58.000 0.039 0.000 0.989 39 F CB 0.885 39.894 39.000 0.014 0.000 1.193 39 F HN 0.658 nan 8.300 nan 0.000 0.481 40 D N -1.353 119.184 120.400 0.230 0.000 2.347 40 D HA 0.122 4.186 4.640 -0.960 0.000 0.213 40 D C 0.125 176.491 176.300 0.109 0.000 0.985 40 D CA 0.527 54.606 54.000 0.132 0.000 0.879 40 D CB 0.017 40.880 40.800 0.104 0.000 0.919 40 D HN 0.391 nan 8.370 nan 0.000 0.526 41 S N -2.485 113.291 115.700 0.128 0.000 2.636 41 S HA 0.611 4.505 4.470 -0.960 0.000 0.266 41 S C 0.610 175.238 174.600 0.048 0.000 1.147 41 S CA -0.533 57.711 58.200 0.073 0.000 0.815 41 S CB 0.957 64.186 63.200 0.048 0.000 1.119 41 S HN 0.074 nan 8.310 nan 0.000 0.470 42 A N 0.444 123.270 122.820 0.009 0.000 2.014 42 A HA 0.108 3.852 4.320 -0.960 0.000 0.218 42 A C 1.741 179.283 177.584 -0.069 0.000 1.163 42 A CA 1.760 53.774 52.037 -0.037 0.000 0.652 42 A CB -1.124 17.860 19.000 -0.026 0.000 0.808 42 A HN 0.820 nan 8.150 nan 0.000 0.449 43 E N -0.214 119.965 120.200 -0.036 0.000 2.023 43 E HA -0.236 3.538 4.350 -0.960 0.000 0.196 43 E C 2.154 178.719 176.600 -0.058 0.000 1.003 43 E CA 1.641 58.019 56.400 -0.038 0.000 0.809 43 E CB -0.379 29.314 29.700 -0.012 0.000 0.755 43 E HN 0.741 nan 8.360 nan 0.000 0.449 44 Q N -0.165 119.618 119.800 -0.029 0.000 2.077 44 Q HA -0.179 3.585 4.340 -0.960 0.000 0.206 44 Q C 2.193 178.072 176.000 -0.203 0.000 0.989 44 Q CA 1.778 57.571 55.803 -0.017 0.000 0.853 44 Q CB -0.481 28.324 28.738 0.111 0.000 0.907 44 Q HN 0.396 nan 8.270 nan 0.000 0.418 45 G N 0.215 108.763 108.800 -0.419 0.000 2.476 45 G HA2 -0.306 3.078 3.960 -0.960 0.000 0.218 45 G HA3 -0.306 3.078 3.960 -0.960 0.000 0.218 45 G C 1.380 175.982 174.900 -0.497 0.000 1.164 45 G CA 1.161 45.668 45.100 -0.988 0.000 0.768 45 G HN 0.522 nan 8.290 nan 0.000 0.560 46 A N 1.298 123.974 122.820 -0.241 0.000 1.828 46 A HA 0.258 4.002 4.320 -0.960 0.000 0.215 46 A C 2.879 180.415 177.584 -0.079 0.000 1.203 46 A CA 2.694 54.661 52.037 -0.117 0.000 0.614 46 A CB -1.244 17.708 19.000 -0.080 0.000 0.844 46 A HN 0.969 nan 8.150 nan 0.000 0.445 47 A N 0.117 122.893 122.820 -0.073 0.000 1.848 47 A HA -0.217 3.527 4.320 -0.960 0.000 0.217 47 A C 1.959 179.519 177.584 -0.041 0.000 1.220 47 A CA 1.756 53.763 52.037 -0.050 0.000 0.645 47 A CB -0.639 18.341 19.000 -0.034 0.000 0.842 47 A HN 0.524 nan 8.150 nan 0.000 0.451 48 R N -2.002 118.485 120.500 -0.021 0.000 2.404 48 R HA 0.189 3.953 4.340 -0.960 0.000 0.236 48 R C 0.217 176.591 176.300 0.124 0.000 1.044 48 R CA 0.237 56.356 56.100 0.033 0.000 1.133 48 R CB -0.260 30.090 30.300 0.083 0.000 1.142 48 R HN 0.581 nan 8.270 nan 0.000 0.512 49 F N -0.784 119.083 119.950 -0.137 0.000 2.817 49 F HA 0.339 4.289 4.527 -0.961 0.000 0.333 49 F C 1.567 177.294 175.800 -0.120 0.000 1.085 49 F CA -0.302 57.632 58.000 -0.109 0.000 1.170 49 F CB 0.620 39.527 39.000 -0.156 0.000 1.066 49 F HN -0.040 nan 8.300 nan 0.000 0.564 50 A N -0.342 122.416 122.820 -0.104 0.000 2.014 50 A HA 0.109 3.853 4.320 -0.960 0.000 0.210 50 A C 1.815 179.281 177.584 -0.197 0.000 1.188 50 A CA 0.635 52.570 52.037 -0.170 0.000 0.731 50 A CB -0.659 18.281 19.000 -0.100 0.000 0.858 50 A HN 0.297 nan 8.150 nan 0.000 0.464 51 L N -0.173 120.962 121.223 -0.147 0.000 2.079 51 L HA -0.122 3.642 4.340 -0.960 0.000 0.210 51 L C 0.380 177.120 176.870 -0.216 0.000 1.081 51 L CA 2.198 56.952 54.840 -0.144 0.000 0.752 51 L CB -0.349 41.655 42.059 -0.091 0.000 0.896 51 L HN 0.581 nan 8.230 nan 0.000 0.433 52 E N 0.587 120.623 120.200 -0.273 0.000 2.267 52 E HA -0.238 3.536 4.350 -0.960 0.000 0.229 52 E C -0.412 176.059 176.600 -0.215 0.000 1.193 52 E CA 0.564 56.703 56.400 -0.435 0.000 0.695 52 E CB -1.572 27.677 29.700 -0.752 0.000 1.219 52 E HN 0.666 nan 8.360 nan 0.000 0.391 53 E N -1.449 118.701 120.200 -0.084 0.000 2.246 53 E HA -0.232 3.542 4.350 -0.960 0.000 0.211 53 E C -0.137 176.428 176.600 -0.059 0.000 1.278 53 E CA 0.775 57.158 56.400 -0.027 0.000 0.694 53 E CB -1.225 28.532 29.700 0.095 0.000 1.166 53 E HN 0.388 nan 8.360 nan 0.000 0.370 54 S N -1.731 113.914 115.700 -0.091 0.000 2.733 54 S HA 0.191 4.085 4.470 -0.960 0.000 0.247 54 S C 1.149 175.673 174.600 -0.126 0.000 1.043 54 S CA -0.022 58.114 58.200 -0.106 0.000 1.066 54 S CB 1.304 64.450 63.200 -0.090 0.000 1.045 54 S HN 0.497 nan 8.310 nan 0.000 0.586 55 G N 0.625 109.358 108.800 -0.111 0.000 2.672 55 G HA2 0.155 3.539 3.960 -0.960 0.000 0.200 55 G HA3 0.155 3.539 3.960 -0.960 0.000 0.200 55 G C 0.327 175.135 174.900 -0.154 0.000 1.819 55 G CA 0.493 45.534 45.100 -0.098 0.000 0.902 55 G HN 0.380 nan 8.290 nan 0.000 0.512 56 Y N -0.799 119.398 120.300 -0.173 0.000 2.666 56 Y HA 0.416 4.391 4.550 -0.959 0.000 0.260 56 Y C 0.692 176.223 175.900 -0.616 0.000 1.089 56 Y CA -1.813 56.089 58.100 -0.331 0.000 1.246 56 Y CB 0.067 38.398 38.460 -0.214 0.000 1.353 56 Y HN 0.174 nan 8.280 nan 0.000 0.558 57 I N 1.868 122.330 120.570 -0.179 0.000 2.989 57 I HA -0.181 3.413 4.170 -0.960 0.000 0.311 57 I C -0.852 175.043 176.117 -0.369 0.000 1.221 57 I CA 0.822 62.017 61.300 -0.175 0.000 1.449 57 I CB -0.005 38.001 38.000 0.010 0.000 1.325 57 I HN 0.025 nan 8.210 nan 0.000 0.557 58 Y N 5.344 125.533 120.300 -0.186 0.000 2.419 58 Y HA 0.626 4.604 4.550 -0.954 0.000 0.328 58 Y C 0.692 176.125 175.900 -0.778 0.000 1.162 58 Y CA -0.466 57.334 58.100 -0.500 0.000 1.174 58 Y CB 1.663 39.687 38.460 -0.727 0.000 1.228 58 Y HN 0.573 nan 8.280 nan 0.000 0.473 59 T N 0.563 114.809 114.554 -0.512 0.000 2.841 59 T HA 0.306 4.080 4.350 -0.960 0.000 0.296 59 T C 0.607 175.260 174.700 -0.080 0.000 1.166 59 T CA -0.890 61.056 62.100 -0.257 0.000 1.007 59 T CB 1.097 70.033 68.868 0.115 0.000 1.253 59 T HN 0.755 nan 8.240 nan 0.000 0.511 60 R N 1.374 122.012 120.500 0.229 0.000 2.237 60 R HA 0.119 3.883 4.340 -0.960 0.000 0.219 60 R C 1.720 178.111 176.300 0.152 0.000 1.080 60 R CA 0.995 57.266 56.100 0.285 0.000 0.995 60 R CB -0.440 30.024 30.300 0.274 0.000 0.875 60 R HN 0.421 nan 8.270 nan 0.000 0.462 61 L N 0.375 121.658 121.223 0.100 0.000 2.509 61 L HA 0.163 3.927 4.340 -0.960 0.000 0.222 61 L C 1.118 177.973 176.870 -0.025 0.000 1.123 61 L CA 0.457 55.303 54.840 0.009 0.000 0.856 61 L CB 0.489 42.513 42.059 -0.058 0.000 0.985 61 L HN 0.326 nan 8.230 nan 0.000 0.456 62 G N -0.463 108.348 108.800 0.017 0.000 4.849 62 G HA2 0.019 3.403 3.960 -0.960 0.000 0.247 62 G HA3 0.019 3.403 3.960 -0.960 0.000 0.247 62 G C -0.432 174.521 174.900 0.088 0.000 1.128 62 G CA -0.464 44.658 45.100 0.037 0.000 0.864 62 G HN 0.012 nan 8.290 nan 0.000 0.567 63 N N 1.313 120.062 118.700 0.083 0.000 2.412 63 N HA 0.052 4.216 4.740 -0.960 0.000 0.254 63 N C -1.307 174.204 175.510 0.002 0.000 1.232 63 N CA -0.851 52.261 53.050 0.104 0.000 0.880 63 N CB 2.097 40.704 38.487 0.199 0.000 1.076 63 N HN -0.064 nan 8.380 nan 0.000 0.458 64 P HA -0.099 nan 4.420 nan 0.000 0.216 64 P C 1.032 178.274 177.300 -0.098 0.000 1.150 64 P CA 1.605 64.367 63.100 -0.563 0.000 0.843 64 P CB 0.146 30.942 31.700 -1.506 0.000 0.787 65 T N -1.263 113.352 114.554 0.102 0.000 2.737 65 T HA -0.104 3.670 4.350 -0.960 0.000 0.265 65 T C 1.748 176.543 174.700 0.157 0.000 1.038 65 T CA 2.031 64.273 62.100 0.236 0.000 1.144 65 T CB -1.294 67.775 68.868 0.335 0.000 0.866 65 T HN 0.183 nan 8.240 nan 0.000 0.434 66 T N 1.539 116.172 114.554 0.132 0.000 2.821 66 T HA -0.098 3.676 4.350 -0.960 0.000 0.267 66 T C 1.767 176.516 174.700 0.082 0.000 1.046 66 T CA 1.317 63.477 62.100 0.100 0.000 1.139 66 T CB -0.497 68.428 68.868 0.094 0.000 0.871 66 T HN 0.399 nan 8.240 nan 0.000 0.454 67 D N 1.589 122.046 120.400 0.095 0.000 2.133 67 D HA -0.145 3.919 4.640 -0.960 0.000 0.192 67 D C 2.228 178.589 176.300 0.102 0.000 1.001 67 D CA 1.517 55.584 54.000 0.113 0.000 0.844 67 D CB -0.373 40.547 40.800 0.200 0.000 0.944 67 D HN 0.348 nan 8.370 nan 0.000 0.447 68 A N -0.163 122.718 122.820 0.103 0.000 1.908 68 A HA -0.142 3.602 4.320 -0.960 0.000 0.218 68 A C 2.221 179.838 177.584 0.056 0.000 1.181 68 A CA 1.662 53.753 52.037 0.089 0.000 0.627 68 A CB -0.969 18.089 19.000 0.097 0.000 0.818 68 A HN 0.409 nan 8.150 nan 0.000 0.445 69 L N 0.013 121.265 121.223 0.048 0.000 2.056 69 L HA -0.126 3.638 4.340 -0.960 0.000 0.207 69 L C 2.172 179.053 176.870 0.019 0.000 1.078 69 L CA 2.434 57.285 54.840 0.019 0.000 0.749 69 L CB -0.675 41.395 42.059 0.017 0.000 0.901 69 L HN 0.529 nan 8.230 nan 0.000 0.433 70 E N -0.456 119.763 120.200 0.031 0.000 2.051 70 E HA -0.248 3.526 4.350 -0.960 0.000 0.192 70 E C 2.151 178.769 176.600 0.030 0.000 0.991 70 E CA 1.531 57.947 56.400 0.028 0.000 0.799 70 E CB -0.125 29.588 29.700 0.022 0.000 0.748 70 E HN 0.493 nan 8.360 nan 0.000 0.449 71 K N 1.007 121.429 120.400 0.037 0.000 2.026 71 K HA -0.167 3.577 4.320 -0.960 0.000 0.208 71 K C 2.189 178.801 176.600 0.021 0.000 1.048 71 K CA 1.083 57.391 56.287 0.034 0.000 0.929 71 K CB -0.102 32.429 32.500 0.053 0.000 0.713 71 K HN -0.053 nan 8.250 nan 0.000 0.439 72 K N 0.854 121.263 120.400 0.015 0.000 2.034 72 K HA -0.188 3.556 4.320 -0.960 0.000 0.214 72 K C 1.991 178.584 176.600 -0.013 0.000 1.051 72 K CA 1.335 57.616 56.287 -0.009 0.000 0.931 72 K CB -0.005 32.482 32.500 -0.023 0.000 0.715 72 K HN 0.023 nan 8.250 nan 0.000 0.446 73 L N 0.434 121.658 121.223 0.002 0.000 2.156 73 L HA -0.043 3.721 4.340 -0.960 0.000 0.208 73 L C 2.526 179.427 176.870 0.052 0.000 1.095 73 L CA 1.620 56.470 54.840 0.017 0.000 0.770 73 L CB -1.328 40.740 42.059 0.014 0.000 0.914 73 L HN 0.337 nan 8.230 nan 0.000 0.439 74 A N -0.270 122.578 122.820 0.046 0.000 1.883 74 A HA -0.178 3.566 4.320 -0.960 0.000 0.217 74 A C 2.419 180.032 177.584 0.049 0.000 1.186 74 A CA 1.976 54.045 52.037 0.053 0.000 0.624 74 A CB -0.772 18.250 19.000 0.038 0.000 0.822 74 A HN 0.210 nan 8.150 nan 0.000 0.444 75 V N 0.226 120.155 119.914 0.024 0.000 2.295 75 V HA -0.269 3.275 4.120 -0.960 0.000 0.246 75 V C 2.575 178.695 176.094 0.042 0.000 1.049 75 V CA 2.029 64.336 62.300 0.011 0.000 1.024 75 V CB -0.770 31.034 31.823 -0.031 0.000 0.648 75 V HN 0.573 nan 8.190 nan 0.000 0.447 76 L N -0.464 120.775 121.223 0.028 0.000 2.093 76 L HA -0.106 3.658 4.340 -0.960 0.000 0.208 76 L C 2.433 179.485 176.870 0.304 0.000 1.085 76 L CA 1.261 56.168 54.840 0.111 0.000 0.755 76 L CB -0.551 41.535 42.059 0.045 0.000 0.904 76 L HN 0.340 nan 8.230 nan 0.000 0.435 77 E N 0.411 120.728 120.200 0.194 0.000 2.489 77 E HA -0.031 3.743 4.350 -0.960 0.000 0.193 77 E C 0.112 176.790 176.600 0.129 0.000 1.057 77 E CA -0.040 56.467 56.400 0.179 0.000 0.866 77 E CB 0.237 30.040 29.700 0.171 0.000 0.916 77 E HN 0.185 nan 8.360 nan 0.000 0.500 78 R N -0.495 120.077 120.500 0.119 0.000 3.422 78 R HA -0.170 3.594 4.340 -0.960 0.000 0.267 78 R C 0.363 176.700 176.300 0.062 0.000 1.074 78 R CA 0.907 57.056 56.100 0.080 0.000 0.718 78 R CB -2.213 28.131 30.300 0.074 0.000 1.157 78 R HN 0.229 nan 8.270 nan 0.000 0.440 79 G N -1.010 107.829 108.800 0.065 0.000 2.552 79 G HA2 0.441 3.825 3.960 -0.960 0.000 0.324 79 G HA3 0.441 3.825 3.960 -0.960 0.000 0.324 79 G C 0.452 175.380 174.900 0.048 0.000 1.217 79 G CA -0.715 44.422 45.100 0.060 0.000 0.989 79 G HN 0.230 nan 8.290 nan 0.000 0.490 80 E N -0.525 119.703 120.200 0.046 0.000 2.107 80 E HA 0.225 3.999 4.350 -0.960 0.000 0.191 80 E C 0.992 177.609 176.600 0.028 0.000 0.982 80 E CA 1.056 57.475 56.400 0.032 0.000 0.809 80 E CB 0.211 29.930 29.700 0.031 0.000 0.756 80 E HN 0.495 nan 8.360 nan 0.000 0.459 81 A N 0.255 123.100 122.820 0.042 0.000 2.572 81 A HA 0.679 4.423 4.320 -0.960 0.000 0.295 81 A C -0.519 177.088 177.584 0.039 0.000 1.072 81 A CA -0.234 51.819 52.037 0.026 0.000 0.691 81 A CB 1.883 20.888 19.000 0.008 0.000 1.291 81 A HN 0.131 nan 8.150 nan 0.000 0.404 82 G N -0.811 108.002 108.800 0.022 0.000 2.537 82 G HA2 0.713 4.097 3.960 -0.960 0.000 0.308 82 G HA3 0.713 4.097 3.960 -0.960 0.000 0.308 82 G C -1.854 173.043 174.900 -0.006 0.000 1.237 82 G CA -0.577 44.541 45.100 0.030 0.000 0.968 82 G HN 1.415 nan 8.290 nan 0.000 0.481 83 L N 0.783 122.004 121.223 -0.003 0.000 2.528 83 L HA 0.760 4.524 4.340 -0.960 0.000 0.267 83 L C 0.112 176.976 176.870 -0.010 0.000 0.961 83 L CA -0.578 54.237 54.840 -0.041 0.000 0.866 83 L CB 1.339 43.341 42.059 -0.095 0.000 1.248 83 L HN 0.900 nan 8.230 nan 0.000 0.404 84 A N 2.817 125.633 122.820 -0.007 0.000 2.286 84 A HA 0.888 4.632 4.320 -0.960 0.000 0.286 84 A C 0.063 177.648 177.584 0.003 0.000 1.097 84 A CA 0.430 52.473 52.037 0.009 0.000 0.821 84 A CB 0.630 19.641 19.000 0.019 0.000 1.076 84 A HN 0.920 nan 8.150 nan 0.000 0.490 85 T N -3.363 111.198 114.554 0.011 0.000 2.787 85 T HA 0.601 4.375 4.350 -0.960 0.000 0.297 85 T C 0.687 175.396 174.700 0.015 0.000 1.221 85 T CA 0.069 62.173 62.100 0.007 0.000 1.006 85 T CB 1.105 69.973 68.868 0.000 0.000 1.328 85 T HN 1.460 nan 8.240 nan 0.000 0.509 86 A N 0.817 123.646 122.820 0.015 0.000 2.067 86 A HA 0.461 4.205 4.320 -0.960 0.000 0.219 86 A C 1.171 178.767 177.584 0.020 0.000 1.158 86 A CA 1.175 53.226 52.037 0.024 0.000 0.661 86 A CB -1.028 17.987 19.000 0.025 0.000 0.801 86 A HN 1.880 nan 8.150 nan 0.000 0.452 87 S N -4.879 110.826 115.700 0.009 0.000 2.595 87 S HA 0.495 4.389 4.470 -0.960 0.000 0.270 87 S C 0.838 175.433 174.600 -0.010 0.000 1.145 87 S CA 0.008 58.209 58.200 0.003 0.000 0.825 87 S CB 0.779 63.985 63.200 0.010 0.000 1.107 87 S HN 0.728 nan 8.310 nan 0.000 0.461 88 G N 0.650 109.433 108.800 -0.029 0.000 2.422 88 G HA2 -0.022 3.362 3.960 -0.960 0.000 0.218 88 G HA3 -0.022 3.362 3.960 -0.960 0.000 0.218 88 G C 1.135 176.014 174.900 -0.034 0.000 1.146 88 G CA 0.889 45.961 45.100 -0.047 0.000 0.769 88 G HN 0.663 nan 8.290 nan 0.000 0.547 89 I N 1.102 121.663 120.570 -0.016 0.000 2.179 89 I HA -0.152 3.442 4.170 -0.960 0.000 0.242 89 I C 2.899 178.964 176.117 -0.087 0.000 1.088 89 I CA 1.529 62.819 61.300 -0.017 0.000 1.357 89 I CB -0.906 37.112 38.000 0.030 0.000 1.051 89 I HN 0.244 nan 8.210 nan 0.000 0.409 90 S N 0.468 116.134 115.700 -0.057 0.000 2.399 90 S HA -0.125 3.769 4.470 -0.960 0.000 0.231 90 S C 2.196 176.766 174.600 -0.051 0.000 1.022 90 S CA 1.328 59.489 58.200 -0.064 0.000 0.983 90 S CB -0.109 63.074 63.200 -0.029 0.000 0.803 90 S HN 0.494 nan 8.310 nan 0.000 0.480 91 A N 1.252 124.059 122.820 -0.021 0.000 1.908 91 A HA -0.032 3.712 4.320 -0.960 0.000 0.218 91 A C 2.054 179.650 177.584 0.021 0.000 1.181 91 A CA 1.548 53.594 52.037 0.015 0.000 0.627 91 A CB -0.656 18.366 19.000 0.037 0.000 0.818 91 A HN 0.630 nan 8.150 nan 0.000 0.445 92 I N -0.160 120.398 120.570 -0.020 0.000 2.233 92 I HA -0.179 3.415 4.170 -0.960 0.000 0.243 92 I C 2.841 178.868 176.117 -0.151 0.000 1.093 92 I CA 1.753 63.032 61.300 -0.036 0.000 1.380 92 I CB -0.552 37.415 38.000 -0.055 0.000 1.067 92 I HN 0.534 nan 8.210 nan 0.000 0.413 93 T N -2.638 111.728 114.554 -0.313 0.000 2.942 93 T HA -0.084 3.690 4.350 -0.960 0.000 0.265 93 T C 1.832 176.459 174.700 -0.122 0.000 1.062 93 T CA 1.500 63.334 62.100 -0.444 0.000 1.139 93 T CB -0.673 67.754 68.868 -0.734 0.000 0.883 93 T HN 0.163 nan 8.240 nan 0.000 0.468 94 T N 2.153 116.666 114.554 -0.068 0.000 2.708 94 T HA -0.099 3.675 4.350 -0.960 0.000 0.266 94 T C 2.185 176.926 174.700 0.070 0.000 1.037 94 T CA 1.918 64.014 62.100 -0.007 0.000 1.146 94 T CB -1.000 67.856 68.868 -0.021 0.000 0.865 94 T HN 0.499 nan 8.240 nan 0.000 0.435 95 T N 2.653 117.285 114.554 0.130 0.000 2.580 95 T HA -0.049 3.725 4.350 -0.960 0.000 0.265 95 T C 1.976 176.813 174.700 0.229 0.000 1.063 95 T CA 1.171 63.449 62.100 0.296 0.000 1.170 95 T CB -0.592 68.433 68.868 0.262 0.000 0.863 95 T HN 0.239 nan 8.240 nan 0.000 0.418 96 L N 0.226 121.537 121.223 0.147 0.000 2.093 96 L HA 0.006 3.770 4.340 -0.960 0.000 0.208 96 L C 2.435 179.405 176.870 0.165 0.000 1.085 96 L CA 1.046 55.977 54.840 0.152 0.000 0.755 96 L CB -0.526 41.649 42.059 0.193 0.000 0.904 96 L HN 0.264 nan 8.230 nan 0.000 0.435 97 L N -1.160 120.161 121.223 0.163 0.000 2.341 97 L HA -0.076 3.688 4.340 -0.960 0.000 0.214 97 L C 2.450 179.372 176.870 0.086 0.000 1.115 97 L CA 0.653 55.568 54.840 0.125 0.000 0.820 97 L CB -0.508 41.608 42.059 0.096 0.000 0.944 97 L HN 0.184 nan 8.230 nan 0.000 0.452 98 T N 0.137 114.758 114.554 0.112 0.000 2.857 98 T HA -0.064 3.710 4.350 -0.960 0.000 0.266 98 T C 1.901 176.690 174.700 0.148 0.000 1.048 98 T CA 1.113 63.284 62.100 0.118 0.000 1.139 98 T CB -0.012 68.939 68.868 0.138 0.000 0.874 98 T HN 0.197 nan 8.240 nan 0.000 0.455 99 L N -0.180 121.145 121.223 0.170 0.000 2.249 99 L HA 0.165 3.929 4.340 -0.960 0.000 0.207 99 L C 0.620 177.539 176.870 0.081 0.000 1.090 99 L CA 0.212 55.130 54.840 0.130 0.000 0.802 99 L CB 0.113 42.228 42.059 0.094 0.000 0.947 99 L HN 0.244 nan 8.230 nan 0.000 0.453 100 C N 0.112 119.457 119.300 0.076 0.000 2.411 100 C HA 0.524 4.408 4.460 -0.960 0.000 0.330 100 C C 0.122 175.142 174.990 0.051 0.000 1.224 100 C CA -0.832 58.220 59.018 0.056 0.000 1.770 100 C CB 1.189 28.959 27.740 0.051 0.000 2.297 100 C HN 0.381 nan 8.230 nan 0.000 0.507 101 Q N 1.540 121.365 119.800 0.043 0.000 2.496 101 Q HA 0.459 4.223 4.340 -0.960 0.000 0.286 101 Q C -0.762 175.265 176.000 0.046 0.000 1.103 101 Q CA -0.678 55.148 55.803 0.039 0.000 0.813 101 Q CB 1.098 29.854 28.738 0.030 0.000 1.444 101 Q HN 0.730 nan 8.270 nan 0.000 0.443 102 Q N -0.255 119.575 119.800 0.051 0.000 2.436 102 Q HA 0.103 3.867 4.340 -0.960 0.000 0.326 102 Q C 0.399 176.423 176.000 0.040 0.000 1.079 102 Q CA 1.997 57.833 55.803 0.056 0.000 1.049 102 Q CB -0.475 28.296 28.738 0.056 0.000 1.047 102 Q HN 1.015 nan 8.270 nan 0.000 0.386 103 G N 3.446 112.268 108.800 0.037 0.000 2.213 103 G HA2 -0.189 3.195 3.960 -0.960 0.000 0.226 103 G HA3 -0.189 3.195 3.960 -0.960 0.000 0.226 103 G C -0.346 174.576 174.900 0.037 0.000 0.992 103 G CA 0.039 45.157 45.100 0.029 0.000 0.632 103 G HN 0.690 nan 8.290 nan 0.000 0.511 104 D N 0.125 120.551 120.400 0.044 0.000 2.377 104 D HA 0.554 4.618 4.640 -0.960 0.000 0.245 104 D C 0.236 176.591 176.300 0.092 0.000 1.196 104 D CA 0.112 54.146 54.000 0.057 0.000 0.962 104 D CB 0.673 41.497 40.800 0.040 0.000 1.127 104 D HN 0.388 nan 8.370 nan 0.000 0.471 105 H N -0.167 118.882 119.070 -0.034 0.000 2.821 105 H HA 0.559 4.539 4.556 -0.960 0.000 0.373 105 H C -1.162 174.126 175.328 -0.066 0.000 1.165 105 H CA -0.671 55.342 56.048 -0.059 0.000 1.154 105 H CB 1.250 30.980 29.762 -0.054 0.000 1.765 105 H HN 0.217 nan 8.280 nan 0.000 0.549 106 I N 3.656 123.794 120.570 -0.721 0.000 2.582 106 I HA 0.190 3.784 4.170 -0.960 0.000 0.292 106 I C -0.549 175.116 176.117 -0.752 0.000 1.066 106 I CA -1.014 59.961 61.300 -0.542 0.000 1.053 106 I CB 2.371 40.170 38.000 -0.334 0.000 1.241 106 I HN 0.209 nan 8.210 nan 0.000 0.421 107 V N 4.266 123.935 119.914 -0.409 0.000 2.394 107 V HA 0.432 3.976 4.120 -0.960 0.000 0.282 107 V C 0.028 176.021 176.094 -0.169 0.000 1.031 107 V CA -0.223 61.914 62.300 -0.271 0.000 0.881 107 V CB 1.452 33.215 31.823 -0.100 0.000 0.982 107 V HN 0.775 nan 8.190 nan 0.000 0.451 108 S N 4.168 119.747 115.700 -0.202 0.000 2.521 108 S HA 0.778 4.672 4.470 -0.960 0.000 0.295 108 S C 0.065 174.729 174.600 0.106 0.000 1.098 108 S CA -0.161 58.024 58.200 -0.025 0.000 0.999 108 S CB 1.571 64.689 63.200 -0.138 0.000 1.034 108 S HN 1.289 nan 8.310 nan 0.000 0.483 109 A N 3.448 126.374 122.820 0.177 0.000 2.613 109 A HA 0.219 3.963 4.320 -0.960 0.000 0.230 109 A C 1.274 179.084 177.584 0.376 0.000 1.051 109 A CA 0.482 52.649 52.037 0.216 0.000 0.754 109 A CB -0.267 18.828 19.000 0.159 0.000 0.979 109 A HN 0.955 nan 8.150 nan 0.000 0.510 110 S N 0.975 116.863 115.700 0.314 0.000 2.421 110 S HA 0.165 4.059 4.470 -0.960 0.000 0.224 110 S C 1.392 176.140 174.600 0.248 0.000 1.035 110 S CA 0.741 59.130 58.200 0.315 0.000 0.953 110 S CB -0.031 63.289 63.200 0.200 0.000 0.810 110 S HN 1.170 nan 8.310 nan 0.000 0.497 111 A N 2.465 125.393 122.820 0.179 0.000 3.056 111 A HA 0.527 4.271 4.320 -0.960 0.000 0.274 111 A C 0.215 177.915 177.584 0.193 0.000 1.661 111 A CA -0.455 51.661 52.037 0.131 0.000 1.363 111 A CB -1.094 17.955 19.000 0.081 0.000 1.139 111 A HN 0.565 nan 8.150 nan 0.000 0.598 112 I N -3.433 117.291 120.570 0.258 0.000 3.002 112 I HA 0.567 4.161 4.170 -0.960 0.000 0.310 112 I C -0.101 176.221 176.117 0.342 0.000 1.087 112 I CA -1.524 59.976 61.300 0.334 0.000 1.017 112 I CB 1.131 39.387 38.000 0.428 0.000 1.226 112 I HN 0.261 nan 8.210 nan 0.000 0.443 113 Y N 3.224 123.676 120.300 0.253 0.000 2.996 113 Y HA 0.037 4.011 4.550 -0.959 0.000 0.347 113 Y C 1.423 177.451 175.900 0.213 0.000 1.276 113 Y CA 1.069 59.302 58.100 0.222 0.000 1.601 113 Y CB 0.852 39.419 38.460 0.180 0.000 1.193 113 Y HN 0.793 nan 8.280 nan 0.000 0.582 114 G N 3.736 112.320 108.800 -0.361 0.000 2.469 114 G HA2 -0.300 3.084 3.960 -0.960 0.000 0.219 114 G HA3 -0.300 3.084 3.960 -0.960 0.000 0.219 114 G C 1.562 176.298 174.900 -0.273 0.000 1.150 114 G CA 1.064 46.009 45.100 -0.260 0.000 0.763 114 G HN 0.802 nan 8.290 nan 0.000 0.561 115 C N 0.511 119.415 119.300 -0.660 0.000 2.435 115 C HA 0.030 3.914 4.460 -0.960 0.000 0.279 115 C C 3.219 178.261 174.990 0.086 0.000 1.321 115 C CA 1.378 60.270 59.018 -0.209 0.000 1.752 115 C CB -0.974 26.701 27.740 -0.108 0.000 1.959 115 C HN 0.464 nan 8.230 nan 0.000 0.500 116 T N -0.660 114.005 114.554 0.185 0.000 2.684 116 T HA -0.250 3.524 4.350 -0.960 0.000 0.267 116 T C 1.573 176.439 174.700 0.277 0.000 1.036 116 T CA 2.029 64.297 62.100 0.281 0.000 1.148 116 T CB -0.546 68.532 68.868 0.350 0.000 0.863 116 T HN 0.697 nan 8.240 nan 0.000 0.436 117 H N 0.887 120.045 119.070 0.146 0.000 2.387 117 H HA -0.001 3.979 4.556 -0.960 0.000 0.299 117 H C 2.237 177.633 175.328 0.113 0.000 1.099 117 H CA 1.532 57.635 56.048 0.091 0.000 1.315 117 H CB -0.237 29.476 29.762 -0.080 0.000 1.380 117 H HN 0.363 nan 8.280 nan 0.000 0.513 118 A N -0.128 122.852 122.820 0.267 0.000 1.929 118 A HA -0.113 3.631 4.320 -0.960 0.000 0.216 118 A C 2.193 179.943 177.584 0.275 0.000 1.176 118 A CA 1.142 53.349 52.037 0.284 0.000 0.628 118 A CB -0.957 18.149 19.000 0.177 0.000 0.816 118 A HN 0.575 nan 8.150 nan 0.000 0.444 119 F N 0.856 120.872 119.950 0.110 0.000 2.102 119 F HA -0.149 3.804 4.527 -0.958 0.000 0.298 119 F C 1.826 177.665 175.800 0.064 0.000 1.105 119 F CA 1.794 59.844 58.000 0.084 0.000 1.239 119 F CB -0.386 38.651 39.000 0.062 0.000 0.991 119 F HN 0.133 nan 8.300 nan 0.000 0.474 120 L N 0.054 121.243 121.223 -0.057 0.000 2.093 120 L HA -0.192 3.572 4.340 -0.960 0.000 0.208 120 L C 2.694 179.506 176.870 -0.097 0.000 1.085 120 L CA 1.536 56.264 54.840 -0.188 0.000 0.755 120 L CB -0.903 41.163 42.059 0.011 0.000 0.904 120 L HN 0.366 nan 8.230 nan 0.000 0.435 121 S N -2.056 113.670 115.700 0.044 0.000 2.425 121 S HA -0.086 3.808 4.470 -0.960 0.000 0.225 121 S C 1.558 175.958 174.600 -0.334 0.000 1.024 121 S CA 0.544 58.702 58.200 -0.071 0.000 0.951 121 S CB -0.201 62.912 63.200 -0.146 0.000 0.796 121 S HN 0.491 nan 8.310 nan 0.000 0.498 122 H N 0.429 119.465 119.070 -0.057 0.000 2.426 122 H HA 0.412 4.392 4.556 -0.960 0.000 0.286 122 H C 2.366 177.576 175.328 -0.196 0.000 0.990 122 H CA 0.861 56.853 56.048 -0.093 0.000 1.237 122 H CB -0.006 29.728 29.762 -0.047 0.000 1.466 122 H HN 0.273 nan 8.280 nan 0.000 0.525 123 S N 0.770 116.399 115.700 -0.117 0.000 2.345 123 S HA -0.128 3.766 4.470 -0.960 0.000 0.220 123 S C 2.036 176.332 174.600 -0.506 0.000 1.031 123 S CA 1.068 59.087 58.200 -0.302 0.000 0.996 123 S CB -0.063 63.101 63.200 -0.060 0.000 0.882 123 S HN 0.195 nan 8.310 nan 0.000 0.445 124 M N 1.078 120.352 119.600 -0.543 0.000 2.082 124 M HA -0.044 3.860 4.480 -0.960 0.000 0.258 124 M C -0.992 175.174 176.300 -0.224 0.000 1.069 124 M CA 1.408 56.479 55.300 -0.381 0.000 1.102 124 M CB -2.674 29.639 32.600 -0.478 0.000 1.336 124 M HN 0.116 nan 8.290 nan 0.000 0.404 125 P HA -0.120 nan 4.420 nan 0.000 0.222 125 P C 0.973 178.178 177.300 -0.159 0.000 1.147 125 P CA 1.253 64.265 63.100 -0.147 0.000 0.790 125 P CB -0.165 31.456 31.700 -0.131 0.000 0.780 126 K N -1.805 118.416 120.400 -0.298 0.000 2.432 126 K HA 0.043 3.787 4.320 -0.960 0.000 0.196 126 K C 0.480 176.888 176.600 -0.319 0.000 1.038 126 K CA 0.721 56.802 56.287 -0.343 0.000 0.986 126 K CB -0.186 32.036 32.500 -0.463 0.000 0.782 126 K HN 0.158 nan 8.250 nan 0.000 0.485 127 F N -0.188 119.745 119.950 -0.028 0.000 2.647 127 F HA 0.281 4.232 4.527 -0.960 0.000 0.300 127 F C 1.271 177.061 175.800 -0.016 0.000 1.106 127 F CA -0.521 57.471 58.000 -0.013 0.000 1.313 127 F CB 0.478 39.473 39.000 -0.008 0.000 1.007 127 F HN 0.093 nan 8.300 nan 0.000 0.536 128 G N 0.957 109.814 108.800 0.094 0.000 2.143 128 G HA2 -0.308 3.076 3.960 -0.960 0.000 0.249 128 G HA3 -0.308 3.076 3.960 -0.960 0.000 0.249 128 G C 0.118 175.043 174.900 0.042 0.000 0.981 128 G CA -0.105 45.030 45.100 0.057 0.000 0.665 128 G HN 0.318 nan 8.290 nan 0.000 0.528 129 I N 1.787 122.376 120.570 0.032 0.000 2.328 129 I HA 0.316 3.910 4.170 -0.960 0.000 0.287 129 I C -0.187 175.901 176.117 -0.048 0.000 1.012 129 I CA -0.914 60.388 61.300 0.004 0.000 1.195 129 I CB 0.967 38.971 38.000 0.007 0.000 1.350 129 I HN -0.007 nan 8.210 nan 0.000 0.464 130 N N 5.460 124.156 118.700 -0.008 0.000 2.495 130 N HA 0.584 4.748 4.740 -0.960 0.000 0.280 130 N C -0.812 174.648 175.510 -0.084 0.000 1.168 130 N CA -0.396 52.648 53.050 -0.011 0.000 0.978 130 N CB 2.591 41.118 38.487 0.067 0.000 1.191 130 N HN 0.145 nan 8.380 nan 0.000 0.497 131 V N 1.403 121.204 119.914 -0.189 0.000 2.638 131 V HA 0.421 3.965 4.120 -0.960 0.000 0.306 131 V C -0.060 175.800 176.094 -0.389 0.000 1.052 131 V CA -0.820 61.203 62.300 -0.462 0.000 0.885 131 V CB 2.244 33.675 31.823 -0.652 0.000 0.999 131 V HN 0.480 nan 8.190 nan 0.000 0.424 132 R N 2.992 123.257 120.500 -0.392 0.000 2.338 132 R HA 0.579 4.343 4.340 -0.960 0.000 0.317 132 R C -1.496 174.596 176.300 -0.347 0.000 0.968 132 R CA -0.408 55.589 56.100 -0.171 0.000 0.849 132 R CB 1.743 32.106 30.300 0.105 0.000 1.128 132 R HN 0.524 nan 8.270 nan 0.000 0.448 133 F N 2.476 122.415 119.950 -0.018 0.000 2.404 133 F HA 0.362 4.313 4.527 -0.961 0.000 0.339 133 F C 0.661 176.478 175.800 0.029 0.000 1.105 133 F CA -0.596 57.401 58.000 -0.006 0.000 1.087 133 F CB 1.571 40.569 39.000 -0.003 0.000 1.143 133 F HN 0.164 nan 8.300 nan 0.000 0.491 134 V N -0.978 119.064 119.914 0.213 0.000 3.130 134 V HA 0.550 4.094 4.120 -0.960 0.000 0.310 134 V C -1.121 175.050 176.094 0.128 0.000 1.158 134 V CA -1.050 61.331 62.300 0.134 0.000 1.029 134 V CB 1.985 33.854 31.823 0.077 0.000 1.057 134 V HN 0.574 nan 8.190 nan 0.000 0.436 135 D N 1.926 122.380 120.400 0.088 0.000 2.374 135 D HA 0.507 4.571 4.640 -0.960 0.000 0.240 135 D C 1.004 177.337 176.300 0.055 0.000 1.229 135 D CA 0.451 54.493 54.000 0.070 0.000 0.895 135 D CB 1.285 42.114 40.800 0.049 0.000 1.046 135 D HN 0.945 nan 8.370 nan 0.000 0.498 136 A N 3.069 125.925 122.820 0.060 0.000 2.209 136 A HA 0.104 3.848 4.320 -0.960 0.000 0.212 136 A C 2.000 179.600 177.584 0.027 0.000 1.158 136 A CA 0.888 52.947 52.037 0.038 0.000 0.742 136 A CB -0.241 18.779 19.000 0.034 0.000 0.790 136 A HN 0.592 nan 8.150 nan 0.000 0.472 137 G N -0.376 108.444 108.800 0.034 0.000 2.559 137 G HA2 -0.037 3.347 3.960 -0.960 0.000 0.216 137 G HA3 -0.037 3.347 3.960 -0.960 0.000 0.216 137 G C 0.735 175.649 174.900 0.024 0.000 1.126 137 G CA 0.204 45.323 45.100 0.031 0.000 0.778 137 G HN 0.504 nan 8.290 nan 0.000 0.543 138 K N 0.736 121.150 120.400 0.023 0.000 2.484 138 K HA 0.244 3.988 4.320 -0.960 0.000 0.226 138 K C -2.061 174.547 176.600 0.013 0.000 1.031 138 K CA -1.757 54.540 56.287 0.018 0.000 1.026 138 K CB 2.367 34.879 32.500 0.020 0.000 1.412 138 K HN -0.102 nan 8.250 nan 0.000 0.492 139 P HA -0.254 nan 4.420 nan 0.000 0.220 139 P C 0.943 178.243 177.300 -0.000 0.000 1.144 139 P CA 1.157 64.256 63.100 -0.002 0.000 0.800 139 P CB 0.271 31.966 31.700 -0.009 0.000 0.772 140 E N 0.644 120.847 120.200 0.004 0.000 2.153 140 E HA -0.207 3.567 4.350 -0.960 0.000 0.194 140 E C 1.541 178.147 176.600 0.010 0.000 0.988 140 E CA 1.223 57.627 56.400 0.006 0.000 0.811 140 E CB -1.027 28.677 29.700 0.007 0.000 0.746 140 E HN 0.415 nan 8.360 nan 0.000 0.466 141 E N 0.746 120.955 120.200 0.015 0.000 2.150 141 E HA -0.062 3.712 4.350 -0.960 0.000 0.193 141 E C 2.337 178.951 176.600 0.022 0.000 0.985 141 E CA 0.709 57.122 56.400 0.023 0.000 0.814 141 E CB -0.196 29.523 29.700 0.032 0.000 0.752 141 E HN 0.302 nan 8.360 nan 0.000 0.466 142 I N 1.000 121.578 120.570 0.015 0.000 2.179 142 I HA -0.264 3.330 4.170 -0.960 0.000 0.242 142 I C 2.660 178.782 176.117 0.007 0.000 1.088 142 I CA 0.979 62.283 61.300 0.008 0.000 1.357 142 I CB -0.114 37.881 38.000 -0.007 0.000 1.051 142 I HN -0.017 nan 8.210 nan 0.000 0.409 143 R N 1.796 122.298 120.500 0.003 0.000 2.081 143 R HA -0.111 3.653 4.340 -0.960 0.000 0.235 143 R C 2.105 178.410 176.300 0.009 0.000 1.131 143 R CA 1.917 58.018 56.100 0.002 0.000 0.960 143 R CB -0.714 29.585 30.300 -0.001 0.000 0.856 143 R HN 0.325 nan 8.270 nan 0.000 0.436 144 A N -0.262 122.565 122.820 0.012 0.000 2.121 144 A HA 0.113 3.857 4.320 -0.960 0.000 0.218 144 A C 2.116 179.710 177.584 0.016 0.000 1.154 144 A CA 1.381 53.425 52.037 0.011 0.000 0.679 144 A CB -0.586 18.421 19.000 0.012 0.000 0.795 144 A HN 0.495 nan 8.150 nan 0.000 0.458 145 A N -1.142 121.697 122.820 0.031 0.000 2.195 145 A HA 0.366 4.110 4.320 -0.960 0.000 0.210 145 A C 1.055 178.693 177.584 0.090 0.000 1.165 145 A CA -0.082 51.990 52.037 0.059 0.000 0.806 145 A CB -0.236 18.808 19.000 0.074 0.000 0.847 145 A HN 0.404 nan 8.150 nan 0.000 0.482 146 M N 0.694 120.330 119.600 0.060 0.000 2.252 146 M HA 0.250 4.154 4.480 -0.960 0.000 0.333 146 M C 0.235 176.548 176.300 0.022 0.000 1.111 146 M CA 0.952 56.293 55.300 0.069 0.000 1.140 146 M CB -0.248 32.373 32.600 0.035 0.000 1.538 146 M HN 0.276 nan 8.290 nan 0.000 0.448 147 R N 1.802 122.316 120.500 0.023 0.000 2.855 147 R HA 0.404 4.168 4.340 -0.960 0.000 0.266 147 R C -1.872 174.421 176.300 -0.012 0.000 1.034 147 R CA -1.630 54.437 56.100 -0.057 0.000 0.944 147 R CB 0.528 30.692 30.300 -0.226 0.000 1.219 147 R HN 0.262 nan 8.270 nan 0.000 0.474 148 P HA -0.111 nan 4.420 nan 0.000 0.220 148 P C 0.086 177.390 177.300 0.007 0.000 1.148 148 P CA 1.195 64.291 63.100 -0.007 0.000 0.803 148 P CB 0.335 32.026 31.700 -0.016 0.000 0.782 149 E N -1.670 118.533 120.200 0.004 0.000 2.481 149 E HA 0.011 3.785 4.350 -0.960 0.000 0.195 149 E C 0.259 176.911 176.600 0.087 0.000 1.047 149 E CA 0.412 56.833 56.400 0.036 0.000 0.867 149 E CB -1.007 28.710 29.700 0.028 0.000 0.858 149 E HN 0.134 nan 8.360 nan 0.000 0.513 150 T N 2.126 116.748 114.554 0.112 0.000 2.784 150 T HA 0.046 3.820 4.350 -0.960 0.000 0.291 150 T C 0.960 175.694 174.700 0.056 0.000 0.942 150 T CA -0.025 62.158 62.100 0.139 0.000 1.161 150 T CB 0.605 69.579 68.868 0.176 0.000 0.885 150 T HN -0.070 nan 8.240 nan 0.000 0.534 151 K N 2.052 122.469 120.400 0.028 0.000 2.276 151 K HA 0.222 3.966 4.320 -0.960 0.000 0.198 151 K C 0.718 177.316 176.600 -0.003 0.000 1.052 151 K CA 0.437 56.733 56.287 0.015 0.000 0.984 151 K CB 0.369 32.879 32.500 0.017 0.000 0.836 151 K HN 0.541 nan 8.250 nan 0.000 0.490 152 V N -0.849 119.049 119.914 -0.025 0.000 2.969 152 V HA 0.444 3.988 4.120 -0.960 0.000 0.304 152 V C -1.323 174.747 176.094 -0.040 0.000 1.192 152 V CA -0.950 61.333 62.300 -0.027 0.000 0.962 152 V CB 2.298 34.113 31.823 -0.013 0.000 1.045 152 V HN -0.209 nan 8.190 nan 0.000 0.428 153 V N 6.138 126.034 119.914 -0.031 0.000 2.439 153 V HA 0.505 4.049 4.120 -0.960 0.000 0.282 153 V C -0.788 175.322 176.094 0.027 0.000 1.039 153 V CA -0.372 61.911 62.300 -0.028 0.000 0.913 153 V CB 1.413 33.199 31.823 -0.062 0.000 0.983 153 V HN 0.966 nan 8.190 nan 0.000 0.460 154 Y N 6.736 126.988 120.300 -0.079 0.000 2.338 154 Y HA 0.766 4.739 4.550 -0.961 0.000 0.333 154 Y C -0.391 175.501 175.900 -0.014 0.000 0.968 154 Y CA -0.940 57.134 58.100 -0.044 0.000 1.123 154 Y CB 1.444 39.886 38.460 -0.031 0.000 1.165 154 Y HN 0.667 nan 8.280 nan 0.000 0.452 155 I N 1.787 122.008 120.570 -0.581 0.000 2.828 155 I HA 0.675 4.269 4.170 -0.960 0.000 0.302 155 I C -1.395 174.430 176.117 -0.486 0.000 1.101 155 I CA -1.056 60.024 61.300 -0.367 0.000 1.031 155 I CB 2.659 40.558 38.000 -0.170 0.000 1.231 155 I HN 0.534 nan 8.210 nan 0.000 0.427 156 E N 1.826 121.909 120.200 -0.195 0.000 2.183 156 E HA 0.592 4.366 4.350 -0.960 0.000 0.271 156 E C -1.209 175.392 176.600 0.001 0.000 0.919 156 E CA -0.708 55.642 56.400 -0.083 0.000 0.781 156 E CB 2.387 32.133 29.700 0.077 0.000 1.140 156 E HN 0.710 nan 8.360 nan 0.000 0.402 157 T N 2.905 117.468 114.554 0.015 0.000 3.041 157 T HA 0.358 4.132 4.350 -0.960 0.000 0.321 157 T C -2.797 171.959 174.700 0.093 0.000 1.184 157 T CA -1.908 60.224 62.100 0.055 0.000 1.050 157 T CB 1.359 70.231 68.868 0.007 0.000 1.159 157 T HN 0.143 nan 8.240 nan 0.000 0.469 158 P HA 0.348 nan 4.420 nan 0.000 0.268 158 P C -0.672 176.725 177.300 0.161 0.000 1.208 158 P CA -0.300 62.861 63.100 0.103 0.000 0.777 158 P CB 0.224 31.963 31.700 0.064 0.000 0.875 159 A N 2.082 124.974 122.820 0.119 0.000 2.386 159 A HA 0.063 3.807 4.320 -0.960 0.000 0.248 159 A C 1.641 179.297 177.584 0.120 0.000 1.082 159 A CA -0.356 51.760 52.037 0.132 0.000 0.789 159 A CB -0.358 18.697 19.000 0.091 0.000 1.025 159 A HN 0.660 nan 8.150 nan 0.000 0.490 160 N N 1.370 120.172 118.700 0.171 0.000 2.039 160 N HA -0.102 4.062 4.740 -0.960 0.000 0.193 160 N C -0.957 174.571 175.510 0.029 0.000 1.044 160 N CA 2.169 55.340 53.050 0.201 0.000 0.847 160 N CB -1.022 37.654 38.487 0.316 0.000 1.030 160 N HN 0.483 nan 8.380 nan 0.000 0.422 161 P HA 0.013 nan 4.420 nan 0.000 0.211 161 P C 1.018 178.255 177.300 -0.105 0.000 1.191 161 P CA 2.024 65.087 63.100 -0.063 0.000 0.909 161 P CB -0.458 31.184 31.700 -0.097 0.000 0.770 162 T N -3.416 111.041 114.554 -0.161 0.000 3.145 162 T HA 0.292 4.066 4.350 -0.960 0.000 0.255 162 T C 0.683 175.354 174.700 -0.050 0.000 1.039 162 T CA -0.309 61.612 62.100 -0.297 0.000 0.928 162 T CB -1.191 67.265 68.868 -0.686 0.000 1.029 162 T HN -0.063 nan 8.240 nan 0.000 0.554 163 L N 1.297 122.535 121.223 0.026 0.000 3.843 163 L HA -0.200 3.564 4.340 -0.960 0.000 0.411 163 L C 0.770 177.780 176.870 0.233 0.000 1.205 163 L CA 0.240 55.147 54.840 0.112 0.000 0.945 163 L CB -2.973 39.171 42.059 0.141 0.000 1.929 163 L HN 0.653 nan 8.230 nan 0.000 0.934 164 S N -0.309 115.488 115.700 0.161 0.000 2.579 164 S HA 0.663 4.557 4.470 -0.960 0.000 0.275 164 S C 0.118 174.802 174.600 0.141 0.000 1.345 164 S CA -0.795 57.520 58.200 0.192 0.000 1.031 164 S CB 1.634 64.880 63.200 0.077 0.000 0.892 164 S HN 0.314 nan 8.310 nan 0.000 0.529 165 L N 1.220 122.527 121.223 0.140 0.000 2.332 165 L HA 0.720 4.484 4.340 -0.960 0.000 0.269 165 L C -0.729 176.168 176.870 0.044 0.000 1.016 165 L CA -1.250 53.628 54.840 0.064 0.000 0.809 165 L CB 1.628 43.706 42.059 0.031 0.000 1.280 165 L HN 0.466 nan 8.230 nan 0.000 0.447 166 V N -0.092 119.832 119.914 0.016 0.000 2.540 166 V HA 0.192 3.736 4.120 -0.960 0.000 0.302 166 V C -0.611 175.472 176.094 -0.017 0.000 1.035 166 V CA -0.614 61.687 62.300 0.001 0.000 0.873 166 V CB 1.914 33.731 31.823 -0.010 0.000 0.992 166 V HN 0.651 nan 8.190 nan 0.000 0.428 167 D N 3.933 124.323 120.400 -0.017 0.000 2.416 167 D HA 0.224 4.288 4.640 -0.960 0.000 0.240 167 D C 1.079 177.356 176.300 -0.039 0.000 1.250 167 D CA 0.149 54.133 54.000 -0.026 0.000 0.967 167 D CB 0.731 41.520 40.800 -0.019 0.000 1.059 167 D HN 0.493 nan 8.370 nan 0.000 0.512 168 I N 2.285 122.827 120.570 -0.047 0.000 2.226 168 I HA -0.236 3.358 4.170 -0.960 0.000 0.245 168 I C 2.279 178.362 176.117 -0.057 0.000 1.100 168 I CA 0.885 62.149 61.300 -0.059 0.000 1.374 168 I CB -0.018 37.947 38.000 -0.059 0.000 1.057 168 I HN 0.440 nan 8.210 nan 0.000 0.413 169 E N 0.369 120.543 120.200 -0.043 0.000 2.077 169 E HA -0.206 3.568 4.350 -0.960 0.000 0.193 169 E C 2.075 178.653 176.600 -0.037 0.000 0.989 169 E CA 1.801 58.181 56.400 -0.033 0.000 0.800 169 E CB 0.104 29.790 29.700 -0.025 0.000 0.746 169 E HN 0.398 nan 8.360 nan 0.000 0.452 170 T N -0.028 114.504 114.554 -0.037 0.000 2.777 170 T HA -0.095 3.679 4.350 -0.960 0.000 0.266 170 T C 1.873 176.541 174.700 -0.053 0.000 1.040 170 T CA 1.119 63.198 62.100 -0.035 0.000 1.141 170 T CB -0.067 68.786 68.868 -0.025 0.000 0.868 170 T HN 0.013 nan 8.240 nan 0.000 0.444 171 V N 1.737 121.611 119.914 -0.066 0.000 2.427 171 V HA -0.128 3.416 4.120 -0.960 0.000 0.248 171 V C 2.868 178.870 176.094 -0.152 0.000 1.051 171 V CA 1.540 63.788 62.300 -0.088 0.000 1.048 171 V CB -1.170 30.604 31.823 -0.081 0.000 0.666 171 V HN 0.506 nan 8.190 nan 0.000 0.456 172 A N 0.666 123.380 122.820 -0.176 0.000 1.908 172 A HA -0.138 3.606 4.320 -0.960 0.000 0.218 172 A C 2.429 179.784 177.584 -0.383 0.000 1.181 172 A CA 2.093 53.924 52.037 -0.343 0.000 0.627 172 A CB -1.253 17.640 19.000 -0.179 0.000 0.818 172 A HN 0.523 nan 8.150 nan 0.000 0.445 173 G N -0.006 108.715 108.800 -0.132 0.000 2.421 173 G HA2 -0.196 3.188 3.960 -0.960 0.000 0.216 173 G HA3 -0.196 3.188 3.960 -0.960 0.000 0.216 173 G C 1.536 176.405 174.900 -0.052 0.000 1.171 173 G CA 1.117 46.196 45.100 -0.035 0.000 0.775 173 G HN 0.484 nan 8.290 nan 0.000 0.543 174 I N 1.468 121.995 120.570 -0.072 0.000 2.163 174 I HA -0.236 3.358 4.170 -0.960 0.000 0.243 174 I C 3.310 179.385 176.117 -0.069 0.000 1.085 174 I CA 1.164 62.431 61.300 -0.055 0.000 1.347 174 I CB -0.257 37.714 38.000 -0.048 0.000 1.044 174 I HN 0.253 nan 8.210 nan 0.000 0.408 175 A N 0.027 122.759 122.820 -0.146 0.000 1.902 175 A HA -0.242 3.502 4.320 -0.960 0.000 0.217 175 A C 2.069 179.612 177.584 -0.068 0.000 1.181 175 A CA 1.758 53.709 52.037 -0.143 0.000 0.623 175 A CB -1.152 17.701 19.000 -0.243 0.000 0.818 175 A HN 0.514 nan 8.150 nan 0.000 0.443 176 H N -1.717 117.343 119.070 -0.016 0.000 2.395 176 H HA -0.070 3.910 4.556 -0.960 0.000 0.299 176 H C 2.275 177.597 175.328 -0.010 0.000 1.070 176 H CA 1.215 57.254 56.048 -0.015 0.000 1.356 176 H CB 0.090 29.842 29.762 -0.017 0.000 1.401 176 H HN 0.634 nan 8.280 nan 0.000 0.524 177 Q N 0.694 120.555 119.800 0.101 0.000 2.124 177 Q HA -0.155 3.609 4.340 -0.960 0.000 0.202 177 Q C 1.395 177.418 176.000 0.039 0.000 0.977 177 Q CA 1.218 57.054 55.803 0.054 0.000 0.850 177 Q CB 0.309 29.065 28.738 0.030 0.000 0.901 177 Q HN 0.379 nan 8.270 nan 0.000 0.429 178 Q N -1.011 118.809 119.800 0.032 0.000 2.280 178 Q HA 0.170 3.934 4.340 -0.960 0.000 0.202 178 Q C 0.662 176.682 176.000 0.034 0.000 0.903 178 Q CA 0.695 56.513 55.803 0.025 0.000 0.948 178 Q CB 0.721 29.468 28.738 0.015 0.000 1.058 178 Q HN 0.563 nan 8.270 nan 0.000 0.493 179 G N 0.843 109.675 108.800 0.053 0.000 2.179 179 G HA2 -0.280 3.104 3.960 -0.960 0.000 0.257 179 G HA3 -0.280 3.104 3.960 -0.960 0.000 0.257 179 G C 0.252 175.186 174.900 0.056 0.000 1.010 179 G CA 0.383 45.516 45.100 0.054 0.000 0.736 179 G HN 0.590 nan 8.290 nan 0.000 0.513 180 A N -0.699 122.156 122.820 0.059 0.000 2.294 180 A HA 0.871 4.615 4.320 -0.960 0.000 0.330 180 A C 0.460 178.087 177.584 0.071 0.000 1.133 180 A CA -0.668 51.392 52.037 0.039 0.000 0.836 180 A CB 0.890 19.894 19.000 0.006 0.000 1.190 180 A HN 0.750 nan 8.150 nan 0.000 0.492 181 L N 1.018 122.261 121.223 0.033 0.000 2.395 181 L HA 0.371 4.135 4.340 -0.960 0.000 0.269 181 L C -0.068 176.783 176.870 -0.033 0.000 1.133 181 L CA -0.283 54.573 54.840 0.027 0.000 0.812 181 L CB 0.752 42.781 42.059 -0.051 0.000 1.125 181 L HN 0.579 nan 8.230 nan 0.000 0.452 182 L N 3.157 124.351 121.223 -0.047 0.000 2.282 182 L HA 0.510 4.274 4.340 -0.960 0.000 0.288 182 L C -0.925 175.896 176.870 -0.082 0.000 1.033 182 L CA -0.553 54.227 54.840 -0.100 0.000 0.807 182 L CB 1.691 43.653 42.059 -0.162 0.000 1.209 182 L HN 0.310 nan 8.230 nan 0.000 0.423 183 V N 5.705 125.573 119.914 -0.076 0.000 2.417 183 V HA 0.413 3.957 4.120 -0.960 0.000 0.291 183 V C -0.163 175.805 176.094 -0.210 0.000 1.024 183 V CA -0.587 61.669 62.300 -0.073 0.000 0.861 183 V CB 1.995 33.871 31.823 0.089 0.000 0.985 183 V HN 0.455 nan 8.190 nan 0.000 0.436 184 V N 3.384 123.175 119.914 -0.205 0.000 2.448 184 V HA 0.397 3.942 4.120 -0.960 0.000 0.295 184 V C -0.347 175.575 176.094 -0.287 0.000 1.025 184 V CA -0.638 61.493 62.300 -0.282 0.000 0.859 184 V CB 2.012 33.724 31.823 -0.186 0.000 0.988 184 V HN 0.877 nan 8.190 nan 0.000 0.431 185 D N 3.674 123.857 120.400 -0.361 0.000 2.339 185 D HA 0.114 4.178 4.640 -0.960 0.000 0.241 185 D C 0.452 176.598 176.300 -0.258 0.000 1.183 185 D CA 0.086 53.929 54.000 -0.262 0.000 0.859 185 D CB 0.863 41.565 40.800 -0.164 0.000 1.067 185 D HN 0.516 nan 8.370 nan 0.000 0.484 186 N N 2.202 120.667 118.700 -0.391 0.000 2.251 186 N HA 0.023 4.187 4.740 -0.960 0.000 0.217 186 N C 1.050 176.487 175.510 -0.122 0.000 1.124 186 N CA 0.004 52.873 53.050 -0.301 0.000 0.843 186 N CB 0.354 38.610 38.487 -0.385 0.000 1.024 186 N HN 0.255 nan 8.380 nan 0.000 0.501 187 T N -0.145 114.306 114.554 -0.171 0.000 2.624 187 T HA -0.145 3.629 4.350 -0.960 0.000 0.268 187 T C 1.012 175.763 174.700 0.085 0.000 1.041 187 T CA 1.380 63.446 62.100 -0.056 0.000 1.159 187 T CB -0.299 68.297 68.868 -0.454 0.000 0.863 187 T HN 0.224 nan 8.240 nan 0.000 0.434 188 F N 0.250 120.308 119.950 0.180 0.000 2.456 188 F HA 0.202 4.153 4.527 -0.960 0.000 0.298 188 F C 2.215 178.161 175.800 0.245 0.000 1.104 188 F CA 0.267 58.413 58.000 0.243 0.000 1.435 188 F CB -0.464 38.630 39.000 0.157 0.000 1.078 188 F HN 0.138 nan 8.300 nan 0.000 0.546 189 M N -0.994 118.790 119.600 0.306 0.000 2.412 189 M HA 0.116 4.020 4.480 -0.960 0.000 0.263 189 M C 0.941 177.341 176.300 0.167 0.000 1.122 189 M CA 1.123 56.527 55.300 0.174 0.000 1.179 189 M CB -0.876 31.789 32.600 0.108 0.000 1.335 189 M HN 0.169 nan 8.290 nan 0.000 0.465 190 S N -0.283 115.583 115.700 0.275 0.000 3.960 190 S HA -0.081 3.813 4.470 -0.960 0.000 0.671 190 S C -2.387 172.370 174.600 0.263 0.000 1.405 190 S CA -0.057 58.325 58.200 0.304 0.000 1.519 190 S CB -1.904 61.420 63.200 0.206 0.000 0.362 190 S HN 0.054 nan 8.310 nan 0.000 1.244 191 P HA -0.088 nan 4.420 nan 0.000 0.216 191 P C 1.439 178.864 177.300 0.210 0.000 1.150 191 P CA 2.129 65.412 63.100 0.306 0.000 0.843 191 P CB -0.251 31.676 31.700 0.379 0.000 0.787 192 Y N -0.668 119.712 120.300 0.133 0.000 2.224 192 Y HA -0.219 3.756 4.550 -0.958 0.000 0.289 192 Y C 2.028 177.838 175.900 -0.151 0.000 1.146 192 Y CA 1.511 59.605 58.100 -0.010 0.000 1.182 192 Y CB -0.580 37.940 38.460 0.100 0.000 0.983 192 Y HN -0.023 nan 8.280 nan 0.000 0.524 193 C N -0.730 118.565 119.300 -0.008 0.000 2.935 193 C HA 0.261 4.145 4.460 -0.960 0.000 0.308 193 C C 0.346 175.274 174.990 -0.103 0.000 1.263 193 C CA -0.116 58.855 59.018 -0.079 0.000 1.738 193 C CB -0.500 27.242 27.740 0.005 0.000 2.237 193 C HN 0.434 nan 8.230 nan 0.000 0.600 194 Q N 0.325 120.089 119.800 -0.061 0.000 2.353 194 Q HA 0.301 4.065 4.340 -0.960 0.000 0.275 194 Q C -1.854 174.130 176.000 -0.025 0.000 1.029 194 Q CA -0.071 55.699 55.803 -0.055 0.000 0.848 194 Q CB 1.220 29.945 28.738 -0.021 0.000 1.390 194 Q HN 0.414 nan 8.270 nan 0.000 0.401 195 Q N 3.807 123.581 119.800 -0.043 0.000 2.932 195 Q HA 0.244 4.008 4.340 -0.960 0.000 0.248 195 Q C -2.134 173.860 176.000 -0.009 0.000 0.982 195 Q CA -1.699 54.100 55.803 -0.007 0.000 0.730 195 Q CB 1.659 30.382 28.738 -0.025 0.000 1.249 195 Q HN 0.447 nan 8.270 nan 0.000 0.476 196 P HA -0.210 nan 4.420 nan 0.000 0.216 196 P C 1.005 178.299 177.300 -0.010 0.000 1.150 196 P CA 1.219 64.303 63.100 -0.027 0.000 0.843 196 P CB 0.300 31.971 31.700 -0.050 0.000 0.787 197 L N -1.252 119.976 121.223 0.009 0.000 2.127 197 L HA -0.201 3.563 4.340 -0.960 0.000 0.211 197 L C 2.499 179.380 176.870 0.018 0.000 1.089 197 L CA 1.395 56.247 54.840 0.020 0.000 0.757 197 L CB -0.866 41.214 42.059 0.036 0.000 0.899 197 L HN -0.020 nan 8.230 nan 0.000 0.434 198 Q N 0.026 119.833 119.800 0.011 0.000 2.369 198 Q HA -0.024 3.740 4.340 -0.960 0.000 0.206 198 Q C 1.817 177.815 176.000 -0.004 0.000 0.963 198 Q CA 0.828 56.633 55.803 0.003 0.000 0.894 198 Q CB 0.156 28.890 28.738 -0.007 0.000 0.965 198 Q HN 0.506 nan 8.270 nan 0.000 0.475 199 L N -2.368 118.851 121.223 -0.006 0.000 2.607 199 L HA 0.346 4.110 4.340 -0.960 0.000 0.228 199 L C 1.055 177.930 176.870 0.009 0.000 1.123 199 L CA 0.486 55.320 54.840 -0.010 0.000 0.890 199 L CB 0.427 42.470 42.059 -0.027 0.000 1.103 199 L HN 0.380 nan 8.230 nan 0.000 0.468 200 G N -0.140 108.680 108.800 0.034 0.000 2.211 200 G HA2 -0.202 3.182 3.960 -0.960 0.000 0.201 200 G HA3 -0.202 3.182 3.960 -0.960 0.000 0.201 200 G C 0.471 175.457 174.900 0.144 0.000 0.997 200 G CA -0.192 44.969 45.100 0.102 0.000 0.652 200 G HN 0.393 nan 8.290 nan 0.000 0.500 201 A N 0.523 123.368 122.820 0.043 0.000 2.520 201 A HA 0.471 4.215 4.320 -0.960 0.000 0.235 201 A C 1.175 178.789 177.584 0.051 0.000 1.065 201 A CA 1.159 53.205 52.037 0.015 0.000 0.764 201 A CB 0.230 19.210 19.000 -0.034 0.000 1.002 201 A HN 0.272 nan 8.150 nan 0.000 0.502 202 D N 0.472 120.898 120.400 0.043 0.000 2.277 202 D HA 0.164 4.228 4.640 -0.960 0.000 0.209 202 D C 0.086 176.356 176.300 -0.050 0.000 0.970 202 D CA 1.252 55.256 54.000 0.006 0.000 0.874 202 D CB 0.252 41.047 40.800 -0.007 0.000 0.982 202 D HN 0.530 nan 8.370 nan 0.000 0.504 203 I N 0.742 121.266 120.570 -0.076 0.000 2.656 203 I HA 0.184 3.778 4.170 -0.960 0.000 0.292 203 I C -0.998 175.095 176.117 -0.040 0.000 1.144 203 I CA -0.949 60.308 61.300 -0.072 0.000 1.038 203 I CB 3.478 41.342 38.000 -0.228 0.000 1.244 203 I HN -0.322 nan 8.210 nan 0.000 0.420 204 V N 7.366 127.281 119.914 0.001 0.000 2.628 204 V HA 0.825 4.369 4.120 -0.960 0.000 0.306 204 V C -0.905 175.175 176.094 -0.023 0.000 1.045 204 V CA -0.397 61.873 62.300 -0.050 0.000 0.905 204 V CB 2.096 33.888 31.823 -0.050 0.000 0.997 204 V HN 0.534 nan 8.190 nan 0.000 0.436 205 V N 4.086 123.936 119.914 -0.107 0.000 2.823 205 V HA 0.759 4.303 4.120 -0.960 0.000 0.312 205 V C -0.815 175.163 176.094 -0.193 0.000 1.072 205 V CA -0.477 61.799 62.300 -0.039 0.000 0.937 205 V CB 1.961 33.817 31.823 0.056 0.000 1.013 205 V HN 1.011 nan 8.190 nan 0.000 0.430 206 H N 1.349 120.418 119.070 -0.001 0.000 2.768 206 H HA 0.492 4.473 4.556 -0.959 0.000 0.371 206 H C -0.659 174.630 175.328 -0.065 0.000 1.151 206 H CA -0.455 55.569 56.048 -0.040 0.000 1.165 206 H CB 2.326 32.080 29.762 -0.013 0.000 1.722 206 H HN 0.836 nan 8.280 nan 0.000 0.543 207 S N 1.688 117.388 115.700 -0.000 0.000 2.422 207 S HA 0.065 3.959 4.470 -0.960 0.000 0.283 207 S C 1.478 176.067 174.600 -0.018 0.000 1.163 207 S CA -0.577 57.590 58.200 -0.055 0.000 1.054 207 S CB -0.210 62.878 63.200 -0.188 0.000 0.967 207 S HN 0.506 nan 8.310 nan 0.000 0.499 208 V N 3.635 123.545 119.914 -0.006 0.000 3.141 208 V HA 0.068 3.612 4.120 -0.960 0.000 0.265 208 V C 1.167 177.243 176.094 -0.030 0.000 1.126 208 V CA 0.845 63.131 62.300 -0.024 0.000 1.141 208 V CB -1.785 30.021 31.823 -0.028 0.000 0.743 208 V HN 0.769 nan 8.190 nan 0.000 0.492 212 I N 0.978 121.617 120.570 0.116 0.000 2.179 212 I HA -0.295 3.299 4.170 -0.960 0.000 0.242 212 I C 2.149 178.285 176.117 0.033 0.000 1.088 212 I CA 2.418 63.734 61.300 0.026 0.000 1.357 212 I CB -0.137 37.807 38.000 -0.094 0.000 1.051 212 I HN 0.311 nan 8.210 nan 0.000 0.409 213 N N 0.347 119.063 118.700 0.028 0.000 2.092 213 N HA -0.091 4.073 4.740 -0.960 0.000 0.189 213 N C 1.492 177.098 175.510 0.159 0.000 1.040 213 N CA 2.035 55.117 53.050 0.054 0.000 0.845 213 N CB -0.047 38.451 38.487 0.018 0.000 1.017 213 N HN 0.335 nan 8.380 nan 0.000 0.426 214 G N -1.563 107.290 108.800 0.089 0.000 2.205 214 G HA2 -0.301 3.083 3.960 -0.960 0.000 0.261 214 G HA3 -0.301 3.083 3.960 -0.960 0.000 0.261 214 G C 0.511 175.375 174.900 -0.060 0.000 0.980 214 G CA 0.882 46.009 45.100 0.044 0.000 0.632 214 G HN 0.602 nan 8.290 nan 0.000 0.533 215 H N -0.135 118.937 119.070 0.003 0.000 2.549 215 H HA 0.443 4.429 4.556 -0.950 0.000 0.279 215 H C 1.941 177.271 175.328 0.004 0.000 1.018 215 H CA 0.870 56.921 56.048 0.004 0.000 1.175 215 H CB 0.501 30.252 29.762 -0.018 0.000 1.485 215 H HN 1.230 nan 8.280 nan 0.000 0.543 216 G N 1.867 110.711 108.800 0.073 0.000 2.198 216 G HA2 -0.304 3.080 3.960 -0.960 0.000 0.260 216 G HA3 -0.304 3.080 3.960 -0.960 0.000 0.260 216 G C 0.256 175.189 174.900 0.056 0.000 1.025 216 G CA 0.819 45.946 45.100 0.045 0.000 0.769 216 G HN 0.627 nan 8.290 nan 0.000 0.507 217 D N -1.996 118.441 120.400 0.061 0.000 2.563 217 D HA 0.336 4.400 4.640 -0.960 0.000 0.256 217 D C 0.140 176.465 176.300 0.041 0.000 1.400 217 D CA 0.073 54.107 54.000 0.058 0.000 0.800 217 D CB 0.267 41.108 40.800 0.068 0.000 1.145 217 D HN 0.491 nan 8.370 nan 0.000 0.501 218 V N 1.032 120.962 119.914 0.026 0.000 2.686 218 V HA 0.449 3.993 4.120 -0.960 0.000 0.306 218 V C -0.426 175.677 176.094 0.015 0.000 1.065 218 V CA -0.790 61.520 62.300 0.016 0.000 0.894 218 V CB 2.332 34.145 31.823 -0.017 0.000 1.004 218 V HN 0.051 nan 8.190 nan 0.000 0.424 219 I N 3.530 124.114 120.570 0.024 0.000 2.359 219 I HA 0.850 4.444 4.170 -0.960 0.000 0.294 219 I C 0.661 176.787 176.117 0.015 0.000 0.987 219 I CA 0.243 61.553 61.300 0.016 0.000 1.225 219 I CB 1.749 39.766 38.000 0.027 0.000 1.366 219 I HN 0.822 nan 8.210 nan 0.000 0.466 220 G N 3.194 111.995 108.800 0.002 0.000 2.466 220 G HA2 0.648 4.032 3.960 -0.960 0.000 0.291 220 G HA3 0.648 4.032 3.960 -0.960 0.000 0.291 220 G C -1.508 173.392 174.900 0.000 0.000 1.460 220 G CA -0.381 44.722 45.100 0.006 0.000 0.791 220 G HN 0.842 nan 8.290 nan 0.000 0.505 221 G N -1.345 107.461 108.800 0.011 0.000 2.695 221 G HA2 0.782 4.166 3.960 -0.960 0.000 0.290 221 G HA3 0.782 4.166 3.960 -0.960 0.000 0.290 221 G C -1.908 173.016 174.900 0.039 0.000 1.410 221 G CA -0.561 44.553 45.100 0.022 0.000 0.844 221 G HN 1.192 nan 8.290 nan 0.000 0.478 222 I N -0.632 119.984 120.570 0.076 0.000 2.827 222 I HA 0.693 4.287 4.170 -0.960 0.000 0.298 222 I C -1.411 174.779 176.117 0.122 0.000 1.235 222 I CA -0.984 60.367 61.300 0.085 0.000 1.021 222 I CB 2.342 40.388 38.000 0.077 0.000 1.259 222 I HN 0.440 nan 8.210 nan 0.000 0.427 223 I N 6.492 127.126 120.570 0.107 0.000 2.545 223 I HA 0.597 4.191 4.170 -0.960 0.000 0.292 223 I C -1.198 175.005 176.117 0.144 0.000 1.040 223 I CA -0.892 60.493 61.300 0.142 0.000 1.068 223 I CB 2.012 40.104 38.000 0.153 0.000 1.251 223 I HN 0.122 nan 8.210 nan 0.000 0.424 224 V N 4.100 124.113 119.914 0.166 0.000 2.656 224 V HA 0.980 4.524 4.120 -0.960 0.000 0.307 224 V C 0.209 176.406 176.094 0.172 0.000 1.051 224 V CA -0.245 62.145 62.300 0.149 0.000 0.893 224 V CB 1.570 33.474 31.823 0.135 0.000 0.999 224 V HN 1.042 nan 8.190 nan 0.000 0.426 225 G N 3.111 112.021 108.800 0.182 0.000 2.435 225 G HA2 0.356 3.740 3.960 -0.960 0.000 0.296 225 G HA3 0.356 3.740 3.960 -0.960 0.000 0.296 225 G C -1.518 173.482 174.900 0.167 0.000 1.240 225 G CA -0.829 44.386 45.100 0.190 0.000 0.872 225 G HN 0.399 nan 8.290 nan 0.000 0.480 226 K N 0.762 121.267 120.400 0.175 0.000 2.355 226 K HA 0.168 3.912 4.320 -0.960 0.000 0.270 226 K C 1.458 178.135 176.600 0.128 0.000 1.003 226 K CA -0.469 55.893 56.287 0.125 0.000 0.957 226 K CB 1.268 33.834 32.500 0.110 0.000 0.939 226 K HN 0.482 nan 8.250 nan 0.000 0.482 227 Q N 1.758 121.599 119.800 0.068 0.000 2.077 227 Q HA -0.250 3.514 4.340 -0.960 0.000 0.206 227 Q C 1.787 177.812 176.000 0.041 0.000 0.989 227 Q CA 1.771 57.596 55.803 0.037 0.000 0.853 227 Q CB 0.007 28.757 28.738 0.019 0.000 0.907 227 Q HN 0.702 nan 8.270 nan 0.000 0.418 228 E N -0.513 119.726 120.200 0.065 0.000 2.085 228 E HA -0.200 3.574 4.350 -0.960 0.000 0.194 228 E C 1.861 178.519 176.600 0.096 0.000 0.994 228 E CA 1.063 57.505 56.400 0.070 0.000 0.801 228 E CB -0.221 29.524 29.700 0.075 0.000 0.743 228 E HN 0.278 nan 8.360 nan 0.000 0.453 229 F N 1.358 121.317 119.950 0.015 0.000 2.113 229 F HA -0.143 3.809 4.527 -0.960 0.000 0.297 229 F C 1.965 177.771 175.800 0.010 0.000 1.103 229 F CA 1.107 59.116 58.000 0.016 0.000 1.248 229 F CB -0.251 38.759 39.000 0.017 0.000 0.999 229 F HN 0.029 nan 8.300 nan 0.000 0.475 230 I N 0.794 121.168 120.570 -0.328 0.000 2.286 230 I HA -0.255 3.339 4.170 -0.960 0.000 0.248 230 I C 1.926 177.828 176.117 -0.358 0.000 1.115 230 I CA 1.396 62.432 61.300 -0.441 0.000 1.392 230 I CB -1.412 36.501 38.000 -0.144 0.000 1.065 230 I HN 0.153 nan 8.210 nan 0.000 0.418 231 D N 0.576 120.872 120.400 -0.172 0.000 2.149 231 D HA -0.190 3.874 4.640 -0.960 0.000 0.198 231 D C 2.264 178.536 176.300 -0.045 0.000 0.990 231 D CA 1.067 55.042 54.000 -0.041 0.000 0.839 231 D CB -0.109 40.755 40.800 0.107 0.000 0.948 231 D HN 0.336 nan 8.370 nan 0.000 0.460 232 Q N 0.067 119.790 119.800 -0.128 0.000 2.083 232 Q HA 0.055 3.819 4.340 -0.960 0.000 0.198 232 Q C 2.236 178.109 176.000 -0.212 0.000 0.969 232 Q CA 1.030 56.772 55.803 -0.101 0.000 0.838 232 Q CB -0.461 28.245 28.738 -0.053 0.000 0.900 232 Q HN 0.263 nan 8.270 nan 0.000 0.436 233 A N 1.170 123.710 122.820 -0.467 0.000 1.972 233 A HA -0.197 3.547 4.320 -0.960 0.000 0.219 233 A C 2.171 179.575 177.584 -0.300 0.000 1.169 233 A CA 1.555 53.330 52.037 -0.436 0.000 0.635 233 A CB -0.369 18.194 19.000 -0.729 0.000 0.810 233 A HN 0.232 nan 8.150 nan 0.000 0.446 234 R N -1.729 118.548 120.500 -0.371 0.000 2.048 234 R HA 0.018 3.782 4.340 -0.960 0.000 0.224 234 R C 1.501 177.555 176.300 -0.409 0.000 1.163 234 R CA 1.415 57.233 56.100 -0.470 0.000 0.956 234 R CB -0.302 29.525 30.300 -0.788 0.000 0.849 234 R HN 0.424 nan 8.270 nan 0.000 0.435 235 F N -0.116 119.774 119.950 -0.101 0.000 2.710 235 F HA 0.042 3.993 4.527 -0.959 0.000 0.298 235 F C 1.747 177.502 175.800 -0.075 0.000 1.137 235 F CA 0.247 58.194 58.000 -0.087 0.000 1.444 235 F CB 0.335 39.275 39.000 -0.099 0.000 1.111 235 F HN -0.093 nan 8.300 nan 0.000 0.580 236 V N -1.554 118.390 119.914 0.049 0.000 2.950 236 V HA 0.214 3.758 4.120 -0.960 0.000 0.231 236 V C 2.457 178.542 176.094 -0.016 0.000 1.205 236 V CA 1.095 63.407 62.300 0.019 0.000 1.239 236 V CB -0.868 30.965 31.823 0.016 0.000 1.050 236 V HN 0.225 nan 8.190 nan 0.000 0.498 237 G N 0.306 109.077 108.800 -0.049 0.000 2.453 237 G HA2 -0.201 3.183 3.960 -0.960 0.000 0.215 237 G HA3 -0.201 3.183 3.960 -0.960 0.000 0.215 237 G C 1.499 176.373 174.900 -0.044 0.000 1.201 237 G CA 1.272 46.346 45.100 -0.044 0.000 0.784 237 G HN 0.298 nan 8.290 nan 0.000 0.545 238 L N 0.488 121.671 121.223 -0.068 0.000 2.023 238 L HA 0.186 3.950 4.340 -0.960 0.000 0.205 238 L C 2.703 179.559 176.870 -0.025 0.000 1.073 238 L CA 1.894 56.702 54.840 -0.054 0.000 0.745 238 L CB -0.566 41.441 42.059 -0.088 0.000 0.900 238 L HN 0.224 nan 8.230 nan 0.000 0.435 239 K N -1.171 119.219 120.400 -0.018 0.000 2.097 239 K HA -0.156 3.588 4.320 -0.960 0.000 0.205 239 K C 1.145 177.761 176.600 0.027 0.000 1.050 239 K CA 1.672 57.973 56.287 0.025 0.000 0.938 239 K CB 0.131 32.671 32.500 0.067 0.000 0.718 239 K HN 0.298 nan 8.250 nan 0.000 0.442 240 D N -0.772 119.636 120.400 0.013 0.000 2.431 240 D HA 0.120 4.184 4.640 -0.960 0.000 0.227 240 D C 1.753 178.051 176.300 -0.004 0.000 1.030 240 D CA 0.518 54.524 54.000 0.009 0.000 0.897 240 D CB 0.464 41.269 40.800 0.008 0.000 1.058 240 D HN 0.191 nan 8.370 nan 0.000 0.500 241 I N 0.272 120.834 120.570 -0.013 0.000 3.098 241 I HA -0.065 3.529 4.170 -0.960 0.000 0.241 241 I C 2.286 178.392 176.117 -0.018 0.000 1.081 241 I CA 1.032 62.317 61.300 -0.026 0.000 1.487 241 I CB -0.185 37.794 38.000 -0.034 0.000 1.366 241 I HN -0.080 nan 8.210 nan 0.000 0.463 242 T N -1.675 112.871 114.554 -0.015 0.000 3.044 242 T HA 0.186 3.960 4.350 -0.960 0.000 0.255 242 T C 1.681 176.383 174.700 0.003 0.000 1.073 242 T CA 0.571 62.667 62.100 -0.007 0.000 1.125 242 T CB 0.074 68.931 68.868 -0.019 0.000 0.908 242 T HN 0.534 nan 8.240 nan 0.000 0.480 243 G N 1.371 110.172 108.800 0.002 0.000 2.258 243 G HA2 -0.148 3.236 3.960 -0.960 0.000 0.274 243 G HA3 -0.148 3.236 3.960 -0.960 0.000 0.274 243 G C 0.590 175.498 174.900 0.013 0.000 1.021 243 G CA 0.014 45.122 45.100 0.013 0.000 0.798 243 G HN 1.086 nan 8.290 nan 0.000 0.507 244 G N -0.603 108.198 108.800 0.002 0.000 3.581 244 G HA2 0.358 3.742 3.960 -0.960 0.000 0.255 244 G HA3 0.358 3.742 3.960 -0.960 0.000 0.255 244 G C 0.742 175.646 174.900 0.007 0.000 1.121 244 G CA 0.237 45.339 45.100 0.004 0.000 1.739 244 G HN 0.605 nan 8.290 nan 0.000 0.646 245 C N 0.832 120.142 119.300 0.018 0.000 2.662 245 C HA 0.331 4.215 4.460 -0.960 0.000 0.420 245 C C 0.978 175.992 174.990 0.039 0.000 1.314 245 C CA -0.517 58.516 59.018 0.026 0.000 1.963 245 C CB 0.237 28.002 27.740 0.041 0.000 2.686 245 C HN 0.666 nan 8.230 nan 0.000 0.609 246 M N 3.874 123.500 119.600 0.043 0.000 2.216 246 M HA 0.274 4.178 4.480 -0.960 0.000 0.356 246 M C 0.545 176.895 176.300 0.083 0.000 1.205 246 M CA 0.092 55.426 55.300 0.056 0.000 1.122 246 M CB 0.818 33.447 32.600 0.048 0.000 1.571 246 M HN 0.871 nan 8.290 nan 0.000 0.464 247 S N 4.658 120.418 115.700 0.100 0.000 2.564 247 S HA 0.308 4.202 4.470 -0.960 0.000 0.278 247 S C -2.239 172.457 174.600 0.161 0.000 1.333 247 S CA -1.097 57.182 58.200 0.131 0.000 1.048 247 S CB 0.548 63.837 63.200 0.149 0.000 0.900 247 S HN 0.612 nan 8.310 nan 0.000 0.505 248 P HA -0.076 nan 4.420 nan 0.000 0.218 248 P C 1.103 178.560 177.300 0.261 0.000 1.148 248 P CA 0.733 63.957 63.100 0.207 0.000 0.822 248 P CB -0.059 31.764 31.700 0.206 0.000 0.784 249 F N 0.910 120.918 119.950 0.096 0.000 2.102 249 F HA -0.175 4.304 4.527 -0.081 0.000 0.298 249 F C 1.761 177.674 175.800 0.189 0.000 1.105 249 F CA 1.587 59.659 58.000 0.120 0.000 1.239 249 F CB -1.005 38.023 39.000 0.047 0.000 0.991 249 F HN -0.178 nan 8.300 nan 0.000 0.474 250 N N 0.445 119.209 118.700 0.108 0.000 2.166 250 N HA -0.131 4.033 4.740 -0.960 0.000 0.186 250 N C 1.915 177.411 175.510 -0.022 0.000 1.019 250 N CA 1.414 54.456 53.050 -0.015 0.000 0.856 250 N CB -0.644 37.881 38.487 0.063 0.000 0.993 250 N HN 0.402 nan 8.380 nan 0.000 0.426 251 A N -0.747 122.108 122.820 0.057 0.000 1.930 251 A HA -0.130 3.614 4.320 -0.960 0.000 0.217 251 A C 2.129 179.746 177.584 0.055 0.000 1.175 251 A CA 1.085 53.157 52.037 0.058 0.000 0.627 251 A CB -1.083 17.980 19.000 0.104 0.000 0.815 251 A HN 0.546 nan 8.150 nan 0.000 0.443 252 W N 0.659 121.897 121.300 -0.104 0.000 2.355 252 W HA -0.131 3.983 4.660 -0.910 0.000 0.309 252 W C 1.781 178.171 176.519 -0.215 0.000 1.206 252 W CA 1.859 59.129 57.345 -0.126 0.000 1.284 252 W CB -0.304 29.095 29.460 -0.101 0.000 1.145 252 W HN 0.240 nan 8.180 nan 0.000 0.502 253 L N -0.296 120.788 121.223 -0.232 0.000 2.083 253 L HA -0.235 3.529 4.340 -0.960 0.000 0.209 253 L C 2.355 179.017 176.870 -0.346 0.000 1.083 253 L CA 1.822 56.413 54.840 -0.416 0.000 0.752 253 L CB -1.256 40.567 42.059 -0.394 0.000 0.899 253 L HN -0.054 nan 8.230 nan 0.000 0.433 254 T N 0.103 114.528 114.554 -0.215 0.000 2.777 254 T HA -0.125 3.649 4.350 -0.960 0.000 0.266 254 T C 2.006 176.600 174.700 -0.176 0.000 1.040 254 T CA 0.936 62.948 62.100 -0.147 0.000 1.141 254 T CB -0.206 68.613 68.868 -0.081 0.000 0.868 254 T HN 0.170 nan 8.240 nan 0.000 0.444 255 L N 0.624 121.722 121.223 -0.208 0.000 2.013 255 L HA -0.172 3.592 4.340 -0.960 0.000 0.212 255 L C 2.927 179.606 176.870 -0.319 0.000 1.073 255 L CA 1.582 56.285 54.840 -0.229 0.000 0.753 255 L CB -0.452 41.469 42.059 -0.230 0.000 0.890 255 L HN 0.190 nan 8.230 nan 0.000 0.432 256 R N -0.068 120.130 120.500 -0.504 0.000 2.075 256 R HA -0.130 3.634 4.340 -0.960 0.000 0.232 256 R C 2.236 178.327 176.300 -0.349 0.000 1.126 256 R CA 1.432 57.215 56.100 -0.529 0.000 0.963 256 R CB -0.463 29.344 30.300 -0.822 0.000 0.858 256 R HN 0.395 nan 8.270 nan 0.000 0.435 257 G N 0.168 108.784 108.800 -0.307 0.000 2.421 257 G HA2 -0.249 3.135 3.960 -0.960 0.000 0.216 257 G HA3 -0.249 3.135 3.960 -0.960 0.000 0.216 257 G C 1.327 176.230 174.900 0.006 0.000 1.171 257 G CA 0.733 45.777 45.100 -0.093 0.000 0.775 257 G HN 0.286 nan 8.290 nan 0.000 0.543 258 V N 0.538 120.416 119.914 -0.060 0.000 2.913 258 V HA -0.040 3.504 4.120 -0.960 0.000 0.260 258 V C 2.637 178.692 176.094 -0.065 0.000 1.098 258 V CA 1.554 63.828 62.300 -0.044 0.000 1.121 258 V CB -0.345 31.440 31.823 -0.063 0.000 0.714 258 V HN 0.202 nan 8.190 nan 0.000 0.487 259 K N 0.584 120.925 120.400 -0.098 0.000 2.152 259 K HA -0.130 3.615 4.320 -0.960 0.000 0.206 259 K C 1.846 178.400 176.600 -0.077 0.000 1.048 259 K CA 1.944 58.165 56.287 -0.110 0.000 0.933 259 K CB -0.746 31.670 32.500 -0.140 0.000 0.721 259 K HN 0.744 nan 8.250 nan 0.000 0.447 260 T N -1.050 113.481 114.554 -0.038 0.000 3.122 260 T HA 0.084 3.858 4.350 -0.960 0.000 0.250 260 T C 1.632 176.296 174.700 -0.060 0.000 1.067 260 T CA -0.210 61.869 62.100 -0.036 0.000 0.966 260 T CB 0.027 68.897 68.868 0.004 0.000 1.002 260 T HN -0.057 nan 8.240 nan 0.000 0.542 261 L N 2.559 123.750 121.223 -0.054 0.000 1.997 261 L HA 0.043 3.807 4.340 -0.960 0.000 0.216 261 L C 2.503 179.213 176.870 -0.266 0.000 1.074 261 L CA 2.393 57.188 54.840 -0.075 0.000 0.763 261 L CB -1.177 40.876 42.059 -0.010 0.000 0.890 261 L HN 0.367 nan 8.230 nan 0.000 0.434 262 G N 0.032 108.638 108.800 -0.322 0.000 2.459 262 G HA2 -0.296 3.088 3.960 -0.960 0.000 0.217 262 G HA3 -0.296 3.088 3.960 -0.960 0.000 0.217 262 G C 1.518 176.107 174.900 -0.517 0.000 1.183 262 G CA 1.351 46.034 45.100 -0.694 0.000 0.776 262 G HN 0.692 nan 8.290 nan 0.000 0.552 263 I N -2.063 118.365 120.570 -0.237 0.000 2.676 263 I HA 0.125 3.719 4.170 -0.960 0.000 0.259 263 I C 2.657 178.668 176.117 -0.177 0.000 1.194 263 I CA 0.683 61.887 61.300 -0.160 0.000 1.473 263 I CB -0.226 37.718 38.000 -0.094 0.000 1.096 263 I HN -0.008 nan 8.210 nan 0.000 0.443 264 R N 0.366 120.756 120.500 -0.183 0.000 2.073 264 R HA 0.040 3.804 4.340 -0.960 0.000 0.229 264 R C 2.305 178.529 176.300 -0.127 0.000 1.120 264 R CA 1.211 57.194 56.100 -0.194 0.000 0.967 264 R CB -0.247 30.014 30.300 -0.065 0.000 0.862 264 R HN 0.288 nan 8.270 nan 0.000 0.436 265 M N 0.889 120.410 119.600 -0.131 0.000 2.117 265 M HA -0.119 3.785 4.480 -0.960 0.000 0.262 265 M C 1.851 178.134 176.300 -0.029 0.000 1.065 265 M CA 1.497 56.743 55.300 -0.089 0.000 1.114 265 M CB -0.746 31.725 32.600 -0.215 0.000 1.361 265 M HN 0.035 nan 8.290 nan 0.000 0.408 266 E N -0.296 119.847 120.200 -0.096 0.000 2.160 266 E HA -0.213 3.561 4.350 -0.960 0.000 0.195 266 E C 2.146 178.749 176.600 0.004 0.000 0.991 266 E CA 1.081 57.493 56.400 0.021 0.000 0.810 266 E CB -0.267 29.443 29.700 0.016 0.000 0.742 266 E HN 0.324 nan 8.360 nan 0.000 0.466 267 R N -0.009 120.440 120.500 -0.084 0.000 2.140 267 R HA -0.017 3.747 4.340 -0.960 0.000 0.213 267 R C 2.112 178.369 176.300 -0.071 0.000 1.059 267 R CA 1.003 57.037 56.100 -0.109 0.000 1.000 267 R CB -0.311 29.867 30.300 -0.203 0.000 0.910 267 R HN 0.180 nan 8.270 nan 0.000 0.455 268 H N -0.815 118.257 119.070 0.003 0.000 2.353 268 H HA -0.090 3.889 4.556 -0.962 0.000 0.300 268 H C 1.951 177.308 175.328 0.048 0.000 1.090 268 H CA 1.828 57.898 56.048 0.036 0.000 1.327 268 H CB -0.374 29.412 29.762 0.041 0.000 1.383 268 H HN 0.238 nan 8.280 nan 0.000 0.508 269 C N 0.505 119.915 119.300 0.183 0.000 2.466 269 C HA -0.066 3.818 4.460 -0.960 0.000 0.278 269 C C 2.775 177.852 174.990 0.144 0.000 1.288 269 C CA 0.782 59.909 59.018 0.182 0.000 1.722 269 C CB -0.379 27.456 27.740 0.158 0.000 2.017 269 C HN 0.645 nan 8.230 nan 0.000 0.488 270 E N 1.305 121.560 120.200 0.092 0.000 2.051 270 E HA -0.209 3.565 4.350 -0.960 0.000 0.192 270 E C 1.746 178.369 176.600 0.037 0.000 0.991 270 E CA 1.410 57.847 56.400 0.062 0.000 0.799 270 E CB -0.150 29.572 29.700 0.036 0.000 0.748 270 E HN 0.526 nan 8.360 nan 0.000 0.449 271 N N 0.806 119.523 118.700 0.028 0.000 2.043 271 N HA -0.166 3.998 4.740 -0.960 0.000 0.193 271 N C 1.738 177.233 175.510 -0.024 0.000 1.037 271 N CA 1.614 54.667 53.050 0.005 0.000 0.851 271 N CB -0.714 37.782 38.487 0.015 0.000 1.027 271 N HN 0.304 nan 8.380 nan 0.000 0.422 272 A N 1.549 124.352 122.820 -0.027 0.000 1.908 272 A HA -0.105 3.639 4.320 -0.960 0.000 0.218 272 A C 2.321 179.670 177.584 -0.393 0.000 1.181 272 A CA 0.982 52.900 52.037 -0.199 0.000 0.627 272 A CB -0.858 18.036 19.000 -0.176 0.000 0.818 272 A HN 0.300 nan 8.150 nan 0.000 0.445 273 L N -0.779 120.343 121.223 -0.169 0.000 2.042 273 L HA -0.239 3.525 4.340 -0.960 0.000 0.210 273 L C 2.561 179.405 176.870 -0.043 0.000 1.076 273 L CA 2.149 56.963 54.840 -0.044 0.000 0.749 273 L CB -0.384 41.762 42.059 0.145 0.000 0.893 273 L HN 0.442 nan 8.230 nan 0.000 0.432 274 K N -0.114 120.271 120.400 -0.025 0.000 2.026 274 K HA -0.182 3.562 4.320 -0.960 0.000 0.208 274 K C 1.972 178.575 176.600 0.006 0.000 1.048 274 K CA 1.544 57.830 56.287 -0.003 0.000 0.929 274 K CB -0.193 32.301 32.500 -0.010 0.000 0.713 274 K HN 0.285 nan 8.250 nan 0.000 0.439 275 I N 1.103 121.651 120.570 -0.036 0.000 2.163 275 I HA -0.310 3.284 4.170 -0.960 0.000 0.243 275 I C 2.545 178.662 176.117 -0.000 0.000 1.085 275 I CA 1.245 62.541 61.300 -0.006 0.000 1.347 275 I CB -0.464 37.502 38.000 -0.056 0.000 1.044 275 I HN 0.177 nan 8.210 nan 0.000 0.408 276 A N 0.835 123.567 122.820 -0.147 0.000 1.917 276 A HA -0.242 3.502 4.320 -0.960 0.000 0.219 276 A C 2.418 179.972 177.584 -0.051 0.000 1.182 276 A CA 1.737 53.686 52.037 -0.147 0.000 0.633 276 A CB -0.645 18.183 19.000 -0.285 0.000 0.819 276 A HN 0.337 nan 8.150 nan 0.000 0.448 277 R N -1.982 118.514 120.500 -0.007 0.000 2.081 277 R HA -0.112 3.652 4.340 -0.960 0.000 0.235 277 R C 2.063 178.373 176.300 0.016 0.000 1.131 277 R CA 1.537 57.645 56.100 0.013 0.000 0.960 277 R CB -0.557 29.765 30.300 0.035 0.000 0.856 277 R HN 0.662 nan 8.270 nan 0.000 0.436 278 F N 1.703 121.612 119.950 -0.069 0.000 2.095 278 F HA -0.180 3.771 4.527 -0.960 0.000 0.298 278 F C 1.846 177.610 175.800 -0.061 0.000 1.104 278 F CA 1.459 59.424 58.000 -0.058 0.000 1.232 278 F CB -0.335 38.628 39.000 -0.061 0.000 0.987 278 F HN -0.115 nan 8.300 nan 0.000 0.475 279 L N 0.262 121.250 121.223 -0.391 0.000 2.093 279 L HA -0.187 3.577 4.340 -0.960 0.000 0.208 279 L C 2.533 179.197 176.870 -0.343 0.000 1.085 279 L CA 1.814 56.338 54.840 -0.526 0.000 0.755 279 L CB -0.872 40.916 42.059 -0.452 0.000 0.904 279 L HN 0.256 nan 8.230 nan 0.000 0.435 280 E N 0.245 120.317 120.200 -0.214 0.000 2.204 280 E HA -0.180 3.594 4.350 -0.960 0.000 0.195 280 E C 1.907 178.419 176.600 -0.147 0.000 0.990 280 E CA 1.014 57.326 56.400 -0.146 0.000 0.821 280 E CB -0.021 29.628 29.700 -0.086 0.000 0.750 280 E HN 0.467 nan 8.360 nan 0.000 0.477 281 G N -0.851 107.835 108.800 -0.190 0.000 3.088 281 G HA2 -0.084 3.300 3.960 -0.960 0.000 0.217 281 G HA3 -0.084 3.300 3.960 -0.960 0.000 0.217 281 G C 0.109 174.878 174.900 -0.218 0.000 1.159 281 G CA -0.310 44.687 45.100 -0.172 0.000 0.760 281 G HN 0.183 nan 8.290 nan 0.000 0.550 282 H N 1.479 120.331 119.070 -0.363 0.000 2.552 282 H HA 0.272 4.253 4.556 -0.960 0.000 0.311 282 H C -1.550 173.655 175.328 -0.205 0.000 1.071 282 H CA -2.015 53.819 56.048 -0.357 0.000 1.307 282 H CB 2.527 31.938 29.762 -0.585 0.000 1.416 282 H HN -0.029 nan 8.280 nan 0.000 0.464 283 P HA -0.051 nan 4.420 nan 0.000 0.226 283 P C 0.759 178.128 177.300 0.115 0.000 1.153 283 P CA 0.580 63.688 63.100 0.013 0.000 0.777 283 P CB 0.474 32.141 31.700 -0.054 0.000 0.794 284 S N -0.596 115.294 115.700 0.317 0.000 2.575 284 S HA 0.124 4.018 4.470 -0.960 0.000 0.215 284 S C 0.893 175.507 174.600 0.022 0.000 0.966 284 S CA 0.087 58.366 58.200 0.132 0.000 0.911 284 S CB -0.077 63.190 63.200 0.113 0.000 0.780 284 S HN 0.040 nan 8.310 nan 0.000 0.514 285 I N 3.057 123.627 120.570 0.001 0.000 2.328 285 I HA 0.173 3.767 4.170 -0.960 0.000 0.287 285 I C 1.645 177.750 176.117 -0.020 0.000 1.012 285 I CA -0.138 61.145 61.300 -0.027 0.000 1.195 285 I CB 0.690 38.606 38.000 -0.141 0.000 1.350 285 I HN 0.137 nan 8.210 nan 0.000 0.464 286 T N 3.961 118.515 114.554 -0.001 0.000 2.857 286 T HA 0.082 3.856 4.350 -0.960 0.000 0.266 286 T C 0.992 175.655 174.700 -0.062 0.000 1.048 286 T CA 0.707 62.795 62.100 -0.019 0.000 1.139 286 T CB 0.284 69.152 68.868 -0.001 0.000 0.874 286 T HN 0.414 nan 8.240 nan 0.000 0.455 287 R N 0.160 120.604 120.500 -0.093 0.000 2.626 287 R HA 0.657 4.421 4.340 -0.960 0.000 0.274 287 R C -1.928 174.175 176.300 -0.328 0.000 1.031 287 R CA -0.620 55.323 56.100 -0.262 0.000 0.898 287 R CB 2.638 32.725 30.300 -0.356 0.000 1.222 287 R HN 0.145 nan 8.270 nan 0.000 0.455 288 V N 3.413 123.083 119.914 -0.408 0.000 2.483 288 V HA 0.416 3.960 4.120 -0.960 0.000 0.297 288 V C -1.221 174.671 176.094 -0.336 0.000 1.027 288 V CA -0.916 61.228 62.300 -0.258 0.000 0.855 288 V CB 1.553 33.319 31.823 -0.095 0.000 0.995 288 V HN 0.552 nan 8.190 nan 0.000 0.424 289 Y N 4.997 125.410 120.300 0.188 0.000 2.434 289 Y HA 0.665 4.639 4.550 -0.960 0.000 0.341 289 Y C -0.523 175.581 175.900 0.340 0.000 0.965 289 Y CA -0.818 57.408 58.100 0.210 0.000 1.205 289 Y CB 0.837 39.382 38.460 0.141 0.000 1.121 289 Y HN 0.662 nan 8.280 nan 0.000 0.507 290 Y N 5.374 125.874 120.300 0.333 0.000 2.313 290 Y HA 0.364 4.338 4.550 -0.961 0.000 0.320 290 Y C -2.522 173.505 175.900 0.211 0.000 1.171 290 Y CA -3.012 55.226 58.100 0.230 0.000 1.093 290 Y CB 2.255 40.803 38.460 0.146 0.000 1.224 290 Y HN 0.233 nan 8.280 nan 0.000 0.421 291 P HA -0.085 nan 4.420 nan 0.000 0.218 291 P C 1.337 178.440 177.300 -0.328 0.000 1.146 291 P CA 2.216 64.930 63.100 -0.644 0.000 0.813 291 P CB 0.296 31.625 31.700 -0.617 0.000 0.778 292 G N -1.374 107.080 108.800 -0.578 0.000 2.598 292 G HA2 -0.023 3.361 3.960 -0.960 0.000 0.215 292 G HA3 -0.023 3.361 3.960 -0.960 0.000 0.215 292 G C 0.401 175.445 174.900 0.239 0.000 1.131 292 G CA 0.009 45.082 45.100 -0.044 0.000 0.785 292 G HN 0.222 nan 8.290 nan 0.000 0.539 293 L N 0.917 122.269 121.223 0.216 0.000 2.350 293 L HA 0.195 3.959 4.340 -0.960 0.000 0.275 293 L C 1.481 178.253 176.870 -0.163 0.000 1.099 293 L CA -0.625 54.272 54.840 0.096 0.000 0.808 293 L CB 1.739 43.882 42.059 0.141 0.000 1.149 293 L HN -0.001 nan 8.230 nan 0.000 0.442 294 S N -0.082 115.378 115.700 -0.399 0.000 2.442 294 S HA -0.153 3.741 4.470 -0.960 0.000 0.236 294 S C 1.711 176.076 174.600 -0.393 0.000 1.007 294 S CA 1.187 58.916 58.200 -0.784 0.000 0.965 294 S CB -0.033 62.870 63.200 -0.495 0.000 0.773 294 S HN 0.731 nan 8.310 nan 0.000 0.504 295 S N 0.675 116.275 115.700 -0.166 0.000 2.603 295 S HA -0.002 3.892 4.470 -0.960 0.000 0.220 295 S C 0.507 175.108 174.600 0.001 0.000 0.967 295 S CA -0.320 57.837 58.200 -0.072 0.000 0.920 295 S CB -0.384 62.780 63.200 -0.060 0.000 0.773 295 S HN 0.547 nan 8.310 nan 0.000 0.529 296 H N 2.176 121.241 119.070 -0.008 0.000 2.975 296 H HA 0.128 4.109 4.556 -0.960 0.000 0.303 296 H C -1.845 173.547 175.328 0.107 0.000 1.023 296 H CA -1.198 54.903 56.048 0.088 0.000 1.473 296 H CB 1.409 31.259 29.762 0.146 0.000 1.498 296 H HN 0.175 nan 8.280 nan 0.000 0.549 297 P HA -0.132 nan 4.420 nan 0.000 0.217 297 P C 0.216 177.609 177.300 0.155 0.000 1.148 297 P CA 1.455 64.574 63.100 0.032 0.000 0.828 297 P CB 0.262 31.931 31.700 -0.052 0.000 0.783 298 Q N -2.637 117.361 119.800 0.330 0.000 2.225 298 Q HA 0.099 3.864 4.340 -0.960 0.000 0.259 298 Q C 0.762 176.914 176.000 0.253 0.000 0.872 298 Q CA -0.412 55.552 55.803 0.269 0.000 1.042 298 Q CB -0.287 28.587 28.738 0.228 0.000 1.142 298 Q HN 0.188 nan 8.270 nan 0.000 0.463 299 Y N 1.980 122.373 120.300 0.155 0.000 2.151 299 Y HA -0.300 3.674 4.550 -0.960 0.000 0.284 299 Y C 1.856 177.760 175.900 0.007 0.000 1.166 299 Y CA 1.887 60.022 58.100 0.058 0.000 1.163 299 Y CB 0.410 38.911 38.460 0.067 0.000 0.974 299 Y HN 0.199 nan 8.280 nan 0.000 0.511 300 E N -0.258 119.952 120.200 0.017 0.000 2.051 300 E HA -0.218 3.556 4.350 -0.960 0.000 0.192 300 E C 2.229 178.761 176.600 -0.114 0.000 0.991 300 E CA 1.337 57.690 56.400 -0.078 0.000 0.799 300 E CB -0.797 28.909 29.700 0.010 0.000 0.748 300 E HN 0.469 nan 8.360 nan 0.000 0.449 301 L N 1.198 122.385 121.223 -0.059 0.000 2.012 301 L HA -0.066 3.698 4.340 -0.960 0.000 0.210 301 L C 2.260 179.060 176.870 -0.116 0.000 1.073 301 L CA 2.470 57.272 54.840 -0.064 0.000 0.748 301 L CB -1.151 40.895 42.059 -0.022 0.000 0.891 301 L HN 0.124 nan 8.230 nan 0.000 0.431 302 G N -1.299 107.408 108.800 -0.156 0.000 2.440 302 G HA2 -0.283 3.101 3.960 -0.960 0.000 0.218 302 G HA3 -0.283 3.101 3.960 -0.960 0.000 0.218 302 G C 1.418 176.172 174.900 -0.243 0.000 1.154 302 G CA 0.689 45.662 45.100 -0.211 0.000 0.767 302 G HN 0.493 nan 8.290 nan 0.000 0.552 303 Q N 0.059 119.666 119.800 -0.322 0.000 2.096 303 Q HA -0.095 3.669 4.340 -0.960 0.000 0.204 303 Q C 2.732 178.621 176.000 -0.184 0.000 0.982 303 Q CA 1.278 56.903 55.803 -0.296 0.000 0.850 303 Q CB -0.241 28.284 28.738 -0.355 0.000 0.901 303 Q HN 0.349 nan 8.270 nan 0.000 0.422 304 R N 0.016 120.426 120.500 -0.149 0.000 2.153 304 R HA -0.037 3.727 4.340 -0.960 0.000 0.218 304 R C 2.026 178.265 176.300 -0.103 0.000 1.072 304 R CA 1.078 57.114 56.100 -0.108 0.000 0.990 304 R CB 0.103 30.354 30.300 -0.082 0.000 0.889 304 R HN 0.295 nan 8.270 nan 0.000 0.452 305 Q N -0.716 119.017 119.800 -0.112 0.000 2.391 305 Q HA 0.193 3.957 4.340 -0.960 0.000 0.243 305 Q C -0.225 175.711 176.000 -0.107 0.000 0.874 305 Q CA 0.035 55.780 55.803 -0.096 0.000 0.950 305 Q CB 0.662 29.351 28.738 -0.082 0.000 1.103 305 Q HN 0.148 nan 8.270 nan 0.000 0.544 306 M N -0.616 118.908 119.600 -0.127 0.000 2.464 306 M HA 0.469 4.373 4.480 -0.960 0.000 0.308 306 M C 0.219 176.430 176.300 -0.148 0.000 1.127 306 M CA -0.465 54.757 55.300 -0.130 0.000 0.913 306 M CB 1.901 34.431 32.600 -0.116 0.000 1.689 306 M HN -0.016 nan 8.290 nan 0.000 0.445 307 S N 2.643 118.243 115.700 -0.167 0.000 2.446 307 S HA 0.317 4.211 4.470 -0.960 0.000 0.225 307 S C 0.495 175.015 174.600 -0.133 0.000 1.016 307 S CA 0.060 58.149 58.200 -0.184 0.000 0.943 307 S CB -0.080 62.946 63.200 -0.291 0.000 0.786 307 S HN 0.741 nan 8.310 nan 0.000 0.508 308 L N 0.544 121.708 121.223 -0.099 0.000 2.376 308 L HA 0.463 4.227 4.340 -0.960 0.000 0.258 308 L C -2.386 174.450 176.870 -0.056 0.000 1.013 308 L CA -2.232 52.587 54.840 -0.035 0.000 0.822 308 L CB 2.420 44.508 42.059 0.047 0.000 1.388 308 L HN -0.187 nan 8.230 nan 0.000 0.413 309 P HA 0.172 nan 4.420 nan 0.000 0.257 309 P C 0.383 177.604 177.300 -0.132 0.000 1.281 309 P CA 0.284 63.269 63.100 -0.192 0.000 0.826 309 P CB 0.534 32.032 31.700 -0.337 0.000 1.237 310 G N -0.305 108.519 108.800 0.040 0.000 2.756 310 G HA2 0.005 3.389 3.960 -0.960 0.000 0.678 310 G HA3 0.005 3.389 3.960 -0.960 0.000 0.678 310 G C 0.532 175.579 174.900 0.245 0.000 1.349 310 G CA -0.533 44.616 45.100 0.082 0.000 0.847 310 G HN 0.260 nan 8.290 nan 0.000 0.548 311 G N -0.915 107.995 108.800 0.183 0.000 3.159 311 G HA2 0.482 3.866 3.960 -0.960 0.000 0.232 311 G HA3 0.482 3.866 3.960 -0.960 0.000 0.232 311 G C 0.588 175.643 174.900 0.258 0.000 1.116 311 G CA 0.222 45.468 45.100 0.244 0.000 0.767 311 G HN 0.690 nan 8.290 nan 0.000 0.547 312 I N 1.630 122.366 120.570 0.277 0.000 2.385 312 I HA 0.493 4.087 4.170 -0.960 0.000 0.294 312 I C -0.313 175.965 176.117 0.268 0.000 0.988 312 I CA -1.023 60.384 61.300 0.178 0.000 1.265 312 I CB 1.312 39.314 38.000 0.003 0.000 1.388 312 I HN -0.117 nan 8.210 nan 0.000 0.480 313 I N 4.088 124.782 120.570 0.207 0.000 2.545 313 I HA 0.359 3.953 4.170 -0.960 0.000 0.292 313 I C -0.033 176.246 176.117 0.269 0.000 1.040 313 I CA -0.306 61.157 61.300 0.272 0.000 1.068 313 I CB 2.287 40.381 38.000 0.158 0.000 1.251 313 I HN 0.458 nan 8.210 nan 0.000 0.424 314 S N 4.918 120.813 115.700 0.325 0.000 2.568 314 S HA 0.864 4.758 4.470 -0.960 0.000 0.302 314 S C -0.922 173.939 174.600 0.435 0.000 1.082 314 S CA -0.530 57.839 58.200 0.281 0.000 1.009 314 S CB 1.790 65.124 63.200 0.224 0.000 1.069 314 S HN 0.491 nan 8.310 nan 0.000 0.500 315 F N -0.762 119.286 119.950 0.162 0.000 2.719 315 F HA 0.658 4.608 4.527 -0.961 0.000 0.309 315 F C -1.121 174.700 175.800 0.035 0.000 1.138 315 F CA -0.992 57.038 58.000 0.050 0.000 0.943 315 F CB 1.033 40.012 39.000 -0.034 0.000 1.304 315 F HN 0.410 nan 8.300 nan 0.000 0.445 316 E N 2.274 122.571 120.200 0.161 0.000 2.171 316 E HA 0.518 4.292 4.350 -0.960 0.000 0.271 316 E C -1.270 175.396 176.600 0.110 0.000 0.916 316 E CA -0.979 55.452 56.400 0.051 0.000 0.774 316 E CB 2.659 32.404 29.700 0.075 0.000 1.128 316 E HN 0.709 nan 8.360 nan 0.000 0.403 317 I N 2.302 122.890 120.570 0.029 0.000 2.428 317 I HA 0.378 3.972 4.170 -0.960 0.000 0.296 317 I C -0.187 175.944 176.117 0.023 0.000 0.985 317 I CA -0.474 60.865 61.300 0.064 0.000 1.260 317 I CB 0.968 38.998 38.000 0.049 0.000 1.389 317 I HN 0.600 nan 8.210 nan 0.000 0.484 318 A N 4.917 127.754 122.820 0.027 0.000 2.546 318 A HA 0.438 4.182 4.320 -0.960 0.000 0.243 318 A C 1.037 178.632 177.584 0.018 0.000 1.063 318 A CA 0.663 52.712 52.037 0.021 0.000 0.757 318 A CB -0.406 18.609 19.000 0.024 0.000 0.991 318 A HN 1.554 nan 8.150 nan 0.000 0.503 319 G N 1.132 109.941 108.800 0.015 0.000 2.168 319 G HA2 0.263 3.647 3.960 -0.960 0.000 0.197 319 G HA3 0.263 3.647 3.960 -0.960 0.000 0.197 319 G C 1.610 176.523 174.900 0.023 0.000 0.997 319 G CA 0.569 45.678 45.100 0.015 0.000 0.658 319 G HN 2.956 nan 8.290 nan 0.000 0.513 320 G N -0.394 108.420 108.800 0.022 0.000 2.550 320 G HA2 -0.110 3.274 3.960 -0.960 0.000 0.277 320 G HA3 -0.110 3.274 3.960 -0.960 0.000 0.277 320 G C 1.090 176.036 174.900 0.077 0.000 1.190 320 G CA 0.956 46.078 45.100 0.036 0.000 0.971 320 G HN 1.533 nan 8.290 nan 0.000 0.559 321 L N 0.236 121.517 121.223 0.097 0.000 1.989 321 L HA 0.037 3.801 4.340 -0.960 0.000 0.211 321 L C 2.745 179.701 176.870 0.142 0.000 1.071 321 L CA 3.208 58.137 54.840 0.148 0.000 0.749 321 L CB -0.615 41.480 42.059 0.060 0.000 0.890 321 L HN 0.648 nan 8.230 nan 0.000 0.431 322 E N -0.248 119.998 120.200 0.076 0.000 2.110 322 E HA -0.167 3.607 4.350 -0.960 0.000 0.193 322 E C 2.163 178.806 176.600 0.070 0.000 0.988 322 E CA 1.290 57.725 56.400 0.059 0.000 0.804 322 E CB -0.351 29.369 29.700 0.033 0.000 0.745 322 E HN 0.604 nan 8.360 nan 0.000 0.458 323 A N 0.362 123.220 122.820 0.064 0.000 1.902 323 A HA -0.071 3.673 4.320 -0.960 0.000 0.217 323 A C 2.458 180.082 177.584 0.065 0.000 1.181 323 A CA 1.908 53.977 52.037 0.054 0.000 0.623 323 A CB -1.040 17.980 19.000 0.035 0.000 0.818 323 A HN 0.354 nan 8.150 nan 0.000 0.443 324 G N 0.573 109.426 108.800 0.088 0.000 2.459 324 G HA2 -0.303 3.081 3.960 -0.960 0.000 0.217 324 G HA3 -0.303 3.081 3.960 -0.960 0.000 0.217 324 G C 1.734 176.811 174.900 0.295 0.000 1.183 324 G CA 1.351 46.491 45.100 0.067 0.000 0.776 324 G HN 0.765 nan 8.290 nan 0.000 0.552 325 R N 0.141 120.805 120.500 0.275 0.000 2.081 325 R HA 0.073 3.837 4.340 -0.960 0.000 0.235 325 R C 2.503 178.866 176.300 0.104 0.000 1.131 325 R CA 1.335 57.525 56.100 0.149 0.000 0.960 325 R CB -0.543 29.792 30.300 0.057 0.000 0.856 325 R HN 0.269 nan 8.270 nan 0.000 0.436 326 R N 0.093 120.645 120.500 0.086 0.000 2.073 326 R HA -0.082 3.682 4.340 -0.960 0.000 0.234 326 R C 2.549 178.891 176.300 0.070 0.000 1.134 326 R CA 1.985 58.125 56.100 0.068 0.000 0.952 326 R CB -0.435 29.900 30.300 0.059 0.000 0.850 326 R HN 0.298 nan 8.270 nan 0.000 0.433 327 M N 0.646 120.291 119.600 0.075 0.000 2.073 327 M HA -0.221 3.683 4.480 -0.960 0.000 0.258 327 M C 2.087 178.443 176.300 0.093 0.000 1.070 327 M CA 1.798 57.146 55.300 0.080 0.000 1.103 327 M CB -0.235 32.414 32.600 0.082 0.000 1.321 327 M HN 0.158 nan 8.290 nan 0.000 0.405 328 I N 0.921 121.549 120.570 0.098 0.000 2.208 328 I HA -0.306 3.288 4.170 -0.960 0.000 0.245 328 I C 1.622 177.791 176.117 0.086 0.000 1.097 328 I CA 1.454 62.813 61.300 0.098 0.000 1.363 328 I CB -1.597 36.475 38.000 0.119 0.000 1.051 328 I HN 0.360 nan 8.210 nan 0.000 0.413 329 N N 0.422 119.169 118.700 0.078 0.000 2.515 329 N HA -0.042 4.122 4.740 -0.960 0.000 0.185 329 N C 1.382 176.938 175.510 0.076 0.000 1.109 329 N CA 0.495 53.586 53.050 0.068 0.000 0.903 329 N CB 0.062 38.583 38.487 0.057 0.000 0.969 329 N HN 0.208 nan 8.380 nan 0.000 0.450 330 S N -0.424 115.328 115.700 0.087 0.000 2.559 330 S HA 0.117 4.011 4.470 -0.960 0.000 0.226 330 S C 0.692 175.394 174.600 0.171 0.000 1.000 330 S CA -0.517 57.748 58.200 0.109 0.000 0.948 330 S CB 0.470 63.702 63.200 0.053 0.000 0.870 330 S HN 0.163 nan 8.310 nan 0.000 0.497 331 V N 0.480 120.475 119.914 0.134 0.000 2.732 331 V HA 0.449 3.993 4.120 -0.960 0.000 0.297 331 V C 0.509 176.659 176.094 0.094 0.000 1.060 331 V CA -0.209 62.170 62.300 0.132 0.000 1.038 331 V CB 1.141 33.028 31.823 0.107 0.000 1.003 331 V HN 0.210 nan 8.190 nan 0.000 0.481 332 E N 1.606 121.841 120.200 0.059 0.000 2.453 332 E HA 0.169 3.943 4.350 -0.960 0.000 0.211 332 E C 1.085 177.686 176.600 0.003 0.000 0.897 332 E CA 0.222 56.630 56.400 0.013 0.000 1.063 332 E CB 0.930 30.598 29.700 -0.053 0.000 1.080 332 E HN 0.720 nan 8.360 nan 0.000 0.512 333 L N 0.149 121.376 121.223 0.006 0.000 2.515 333 L HA 0.271 4.035 4.340 -0.960 0.000 0.202 333 L C 0.358 177.240 176.870 0.021 0.000 1.056 333 L CA 0.509 55.351 54.840 0.003 0.000 0.847 333 L CB 0.445 42.496 42.059 -0.014 0.000 1.131 333 L HN -0.034 nan 8.230 nan 0.000 0.484 334 C N 1.527 120.848 119.300 0.034 0.000 2.657 334 C HA 0.265 4.149 4.460 -0.960 0.000 0.420 334 C C 0.474 175.493 174.990 0.049 0.000 1.323 334 C CA -0.597 58.450 59.018 0.049 0.000 1.894 334 C CB -1.118 26.664 27.740 0.070 0.000 2.681 334 C HN 0.274 nan 8.230 nan 0.000 0.613 335 L N 3.477 124.729 121.223 0.048 0.000 2.317 335 L HA 0.479 4.243 4.340 -0.960 0.000 0.281 335 L C -0.185 176.715 176.870 0.050 0.000 1.024 335 L CA -0.379 54.488 54.840 0.045 0.000 0.810 335 L CB 0.794 42.876 42.059 0.038 0.000 1.240 335 L HN 0.503 nan 8.230 nan 0.000 0.427 336 L N 3.536 124.789 121.223 0.049 0.000 2.369 336 L HA 0.658 4.422 4.340 -0.960 0.000 0.279 336 L C 0.205 177.103 176.870 0.046 0.000 1.108 336 L CA -0.031 54.840 54.840 0.051 0.000 0.852 336 L CB 0.298 42.387 42.059 0.050 0.000 1.169 336 L HN 0.754 nan 8.230 nan 0.000 0.452 337 A N 2.444 125.294 122.820 0.049 0.000 2.601 337 A HA 0.543 4.287 4.320 -0.960 0.000 0.291 337 A C 0.250 177.867 177.584 0.056 0.000 1.075 337 A CA -0.266 51.799 52.037 0.047 0.000 0.671 337 A CB 1.501 20.526 19.000 0.043 0.000 1.277 337 A HN 0.484 nan 8.150 nan 0.000 0.417 338 V N -1.622 118.327 119.914 0.060 0.000 3.235 338 V HA 0.205 3.749 4.120 -0.960 0.000 0.259 338 V C 1.082 177.233 176.094 0.094 0.000 1.133 338 V CA 1.541 63.890 62.300 0.081 0.000 1.128 338 V CB -0.405 31.468 31.823 0.084 0.000 0.757 338 V HN 0.835 nan 8.190 nan 0.000 0.469 339 S N 0.273 116.014 115.700 0.068 0.000 2.641 339 S HA 0.663 4.557 4.470 -0.960 0.000 0.261 339 S C -0.442 174.180 174.600 0.037 0.000 1.257 339 S CA -0.287 57.945 58.200 0.053 0.000 0.983 339 S CB 0.554 63.769 63.200 0.024 0.000 0.990 339 S HN 0.352 nan 8.310 nan 0.000 0.572 340 L N -0.252 120.971 121.223 0.001 0.000 2.502 340 L HA 0.569 4.333 4.340 -0.960 0.000 0.253 340 L C 1.018 177.752 176.870 -0.227 0.000 1.070 340 L CA 0.018 54.824 54.840 -0.057 0.000 0.871 340 L CB 0.124 42.196 42.059 0.022 0.000 1.487 340 L HN 0.984 nan 8.230 nan 0.000 0.408 341 G N 0.671 109.209 108.800 -0.438 0.000 2.147 341 G HA2 -0.189 3.195 3.960 -0.960 0.000 0.244 341 G HA3 -0.189 3.195 3.960 -0.960 0.000 0.244 341 G C -0.141 174.529 174.900 -0.383 0.000 1.005 341 G CA 0.187 44.738 45.100 -0.915 0.000 0.713 341 G HN 0.571 nan 8.290 nan 0.000 0.515 342 D N -1.005 119.299 120.400 -0.161 0.000 2.432 342 D HA 0.578 4.642 4.640 -0.960 0.000 0.258 342 D C 2.033 178.389 176.300 0.093 0.000 1.146 342 D CA 0.365 54.346 54.000 -0.033 0.000 1.015 342 D CB 0.629 41.422 40.800 -0.012 0.000 1.107 342 D HN 0.184 nan 8.370 nan 0.000 0.529 343 T N -2.445 112.131 114.554 0.037 0.000 2.904 343 T HA -0.028 3.746 4.350 -0.960 0.000 0.267 343 T C 0.573 175.315 174.700 0.069 0.000 1.059 343 T CA 0.524 62.648 62.100 0.040 0.000 1.137 343 T CB -0.107 68.716 68.868 -0.075 0.000 0.879 343 T HN 0.175 nan 8.240 nan 0.000 0.467 344 E N 1.824 122.055 120.200 0.051 0.000 2.349 344 E HA 0.421 4.195 4.350 -0.960 0.000 0.265 344 E C -0.366 176.273 176.600 0.066 0.000 1.064 344 E CA -0.156 56.272 56.400 0.048 0.000 0.886 344 E CB 0.672 30.393 29.700 0.035 0.000 1.036 344 E HN 0.094 nan 8.360 nan 0.000 0.413 345 T N 2.762 117.352 114.554 0.061 0.000 2.814 345 T HA 0.304 4.078 4.350 -0.960 0.000 0.297 345 T C -0.210 174.525 174.700 0.058 0.000 0.956 345 T CA -0.155 61.986 62.100 0.068 0.000 1.123 345 T CB -0.042 68.862 68.868 0.060 0.000 0.902 345 T HN 0.173 nan 8.240 nan 0.000 0.528 346 L N 4.177 125.436 121.223 0.059 0.000 2.362 346 L HA 0.716 4.480 4.340 -0.960 0.000 0.271 346 L C -0.416 176.493 176.870 0.065 0.000 1.002 346 L CA -0.996 53.876 54.840 0.054 0.000 0.818 346 L CB 2.030 44.113 42.059 0.040 0.000 1.298 346 L HN 0.545 nan 8.230 nan 0.000 0.420 347 I N 2.051 122.660 120.570 0.066 0.000 2.828 347 I HA 0.455 4.049 4.170 -0.960 0.000 0.302 347 I C -1.447 174.706 176.117 0.060 0.000 1.101 347 I CA -0.179 61.163 61.300 0.070 0.000 1.031 347 I CB 2.386 40.441 38.000 0.090 0.000 1.231 347 I HN 0.818 nan 8.210 nan 0.000 0.427 348 Q N 4.778 124.606 119.800 0.047 0.000 2.435 348 Q HA 0.389 4.153 4.340 -0.960 0.000 0.282 348 Q C -1.707 174.340 176.000 0.079 0.000 1.020 348 Q CA -0.935 54.909 55.803 0.068 0.000 0.820 348 Q CB 1.838 30.619 28.738 0.072 0.000 1.436 348 Q HN 0.733 nan 8.270 nan 0.000 0.395 349 H N 1.967 121.028 119.070 -0.016 0.000 2.786 349 H HA 0.272 4.252 4.556 -0.960 0.000 0.284 349 H C -2.148 173.182 175.328 0.004 0.000 1.104 349 H CA -2.502 53.527 56.048 -0.033 0.000 1.339 349 H CB 1.498 31.240 29.762 -0.032 0.000 1.427 349 H HN 0.491 nan 8.280 nan 0.000 0.497 350 P HA -0.182 nan 4.420 nan 0.000 0.215 350 P C 1.263 178.634 177.300 0.118 0.000 1.157 350 P CA 1.821 65.035 63.100 0.191 0.000 0.868 350 P CB 0.162 31.941 31.700 0.131 0.000 0.788 351 A N -1.315 121.553 122.820 0.080 0.000 2.178 351 A HA -0.097 3.647 4.320 -0.960 0.000 0.218 351 A C 2.345 179.746 177.584 -0.306 0.000 1.157 351 A CA 1.833 53.834 52.037 -0.060 0.000 0.689 351 A CB -1.212 17.822 19.000 0.056 0.000 0.787 351 A HN 0.189 nan 8.150 nan 0.000 0.465 352 S N -2.167 113.170 115.700 -0.604 0.000 2.506 352 S HA 0.273 4.167 4.470 -0.960 0.000 0.219 352 S C 1.522 175.997 174.600 -0.209 0.000 1.031 352 S CA 0.658 58.544 58.200 -0.523 0.000 0.911 352 S CB -0.116 62.603 63.200 -0.801 0.000 0.812 352 S HN 0.540 nan 8.310 nan 0.000 0.497 353 M N -0.433 119.087 119.600 -0.133 0.000 3.184 353 M HA 0.188 4.092 4.480 -0.960 0.000 0.187 353 M C 1.983 178.259 176.300 -0.040 0.000 1.866 353 M CA 0.861 56.127 55.300 -0.057 0.000 1.505 353 M CB -0.684 31.906 32.600 -0.017 0.000 1.032 353 M HN 0.178 nan 8.290 nan 0.000 0.597 354 T N -1.169 113.378 114.554 -0.012 0.000 3.320 354 T HA -0.057 3.717 4.350 -0.960 0.000 0.258 354 T C 0.075 174.595 174.700 -0.299 0.000 1.176 354 T CA 1.175 63.214 62.100 -0.101 0.000 1.037 354 T CB -0.599 68.239 68.868 -0.050 0.000 0.958 354 T HN 0.495 nan 8.240 nan 0.000 0.545 355 H N -1.046 117.994 119.070 -0.050 0.000 3.038 355 H HA 0.419 4.399 4.556 -0.960 0.000 0.238 355 H C 1.433 176.726 175.328 -0.058 0.000 1.246 355 H CA -0.228 55.788 56.048 -0.053 0.000 0.966 355 H CB 0.612 30.344 29.762 -0.049 0.000 2.394 355 H HN 0.215 nan 8.280 nan 0.000 0.633 356 S N 0.857 116.552 115.700 -0.008 0.000 2.402 356 S HA -0.075 3.819 4.470 -0.960 0.000 0.229 356 S C -0.251 174.338 174.600 -0.018 0.000 1.021 356 S CA 0.925 59.111 58.200 -0.023 0.000 0.974 356 S CB -0.429 62.746 63.200 -0.041 0.000 0.800 356 S HN 0.473 nan 8.310 nan 0.000 0.484 357 P HA 0.083 nan 4.420 nan 0.000 0.215 357 P C 0.149 177.444 177.300 -0.007 0.000 1.157 357 P CA 0.667 63.754 63.100 -0.021 0.000 0.856 357 P CB -0.366 31.314 31.700 -0.034 0.000 0.786 358 V N 1.953 121.872 119.914 0.009 0.000 2.456 358 V HA 0.086 3.630 4.120 -0.960 0.000 0.247 358 V C 1.155 177.256 176.094 0.011 0.000 1.056 358 V CA -0.631 61.683 62.300 0.023 0.000 1.203 358 V CB -2.037 29.835 31.823 0.082 0.000 1.185 358 V HN 0.184 nan 8.190 nan 0.000 0.477 359 A N 7.548 130.367 122.820 -0.001 0.000 2.645 359 A HA 0.072 3.816 4.320 -0.960 0.000 0.233 359 A C -0.282 177.297 177.584 -0.009 0.000 1.100 359 A CA -0.181 51.852 52.037 -0.006 0.000 0.793 359 A CB -0.509 18.487 19.000 -0.007 0.000 1.028 359 A HN 0.644 nan 8.150 nan 0.000 0.516 360 P HA -0.171 nan 4.420 nan 0.000 0.219 360 P C 1.177 178.467 177.300 -0.017 0.000 1.144 360 P CA 1.848 64.941 63.100 -0.012 0.000 0.806 360 P CB 0.270 31.964 31.700 -0.009 0.000 0.771 361 E N -0.559 119.631 120.200 -0.017 0.000 2.086 361 E HA -0.134 3.640 4.350 -0.960 0.000 0.190 361 E C 1.855 178.437 176.600 -0.030 0.000 0.975 361 E CA 1.060 57.447 56.400 -0.020 0.000 0.813 361 E CB -0.434 29.256 29.700 -0.015 0.000 0.768 361 E HN -0.005 nan 8.360 nan 0.000 0.457 362 E N 0.407 120.589 120.200 -0.030 0.000 2.158 362 E HA -0.109 3.665 4.350 -0.960 0.000 0.191 362 E C 2.100 178.660 176.600 -0.067 0.000 0.982 362 E CA 0.968 57.343 56.400 -0.043 0.000 0.823 362 E CB -0.215 29.467 29.700 -0.029 0.000 0.766 362 E HN 0.440 nan 8.360 nan 0.000 0.468 363 R N 0.428 120.891 120.500 -0.062 0.000 2.075 363 R HA 0.033 3.797 4.340 -0.960 0.000 0.226 363 R C 2.375 178.602 176.300 -0.122 0.000 1.114 363 R CA 0.818 56.851 56.100 -0.113 0.000 0.972 363 R CB -0.838 29.407 30.300 -0.091 0.000 0.869 363 R HN 0.082 nan 8.270 nan 0.000 0.437 364 L N 1.280 122.456 121.223 -0.078 0.000 2.046 364 L HA -0.118 3.646 4.340 -0.960 0.000 0.208 364 L C 2.757 179.585 176.870 -0.071 0.000 1.077 364 L CA 1.566 56.367 54.840 -0.065 0.000 0.747 364 L CB -0.433 41.602 42.059 -0.039 0.000 0.896 364 L HN 0.170 nan 8.230 nan 0.000 0.432 365 K N 0.850 121.210 120.400 -0.067 0.000 2.044 365 K HA -0.157 3.587 4.320 -0.960 0.000 0.210 365 K C 1.771 178.319 176.600 -0.086 0.000 1.049 365 K CA 1.606 57.854 56.287 -0.064 0.000 0.927 365 K CB -0.377 32.089 32.500 -0.057 0.000 0.713 365 K HN 0.244 nan 8.250 nan 0.000 0.443 366 A N -0.640 122.107 122.820 -0.122 0.000 2.258 366 A HA 0.238 3.982 4.320 -0.960 0.000 0.206 366 A C 1.336 178.829 177.584 -0.152 0.000 1.222 366 A CA 0.937 52.879 52.037 -0.159 0.000 0.822 366 A CB -1.053 17.818 19.000 -0.215 0.000 0.804 366 A HN 0.612 nan 8.150 nan 0.000 0.483 367 G N -1.530 107.194 108.800 -0.127 0.000 2.179 367 G HA2 -0.237 3.147 3.960 -0.960 0.000 0.260 367 G HA3 -0.237 3.147 3.960 -0.960 0.000 0.260 367 G C 0.024 174.836 174.900 -0.146 0.000 0.977 367 G CA 0.326 45.347 45.100 -0.132 0.000 0.641 367 G HN 0.457 nan 8.290 nan 0.000 0.533 368 I N 2.869 123.345 120.570 -0.157 0.000 2.291 368 I HA 0.434 4.029 4.170 -0.960 0.000 0.292 368 I C 1.163 177.228 176.117 -0.087 0.000 1.064 368 I CA 0.207 61.419 61.300 -0.147 0.000 1.269 368 I CB 1.158 39.012 38.000 -0.243 0.000 1.418 368 I HN 0.293 nan 8.210 nan 0.000 0.485 369 T N 0.169 114.693 114.554 -0.051 0.000 2.874 369 T HA 0.248 4.022 4.350 -0.960 0.000 0.281 369 T C 0.823 175.539 174.700 0.026 0.000 0.994 369 T CA -0.696 61.396 62.100 -0.013 0.000 1.015 369 T CB 1.147 70.017 68.868 0.003 0.000 1.028 369 T HN 0.424 nan 8.240 nan 0.000 0.523 370 D N 1.349 121.777 120.400 0.046 0.000 2.218 370 D HA 0.052 4.116 4.640 -0.960 0.000 0.204 370 D C 2.049 178.444 176.300 0.157 0.000 0.976 370 D CA 1.410 55.478 54.000 0.113 0.000 0.853 370 D CB -0.509 40.333 40.800 0.070 0.000 0.939 370 D HN 0.834 nan 8.370 nan 0.000 0.481 371 G N -0.408 108.402 108.800 0.016 0.000 3.189 371 G HA2 0.104 3.488 3.960 -0.960 0.000 0.225 371 G HA3 0.104 3.488 3.960 -0.960 0.000 0.225 371 G C 0.313 175.059 174.900 -0.257 0.000 1.159 371 G CA -0.347 44.689 45.100 -0.106 0.000 0.763 371 G HN 0.124 nan 8.290 nan 0.000 0.549 372 L N 2.148 123.255 121.223 -0.193 0.000 2.418 372 L HA 0.348 4.112 4.340 -0.960 0.000 0.274 372 L C -0.555 176.068 176.870 -0.410 0.000 1.135 372 L CA -0.213 54.496 54.840 -0.217 0.000 0.870 372 L CB 0.395 42.399 42.059 -0.091 0.000 1.154 372 L HN -0.104 nan 8.230 nan 0.000 0.462 373 I N 5.611 125.822 120.570 -0.597 0.000 2.474 373 I HA 0.432 4.026 4.170 -0.960 0.000 0.294 373 I C 0.013 175.846 176.117 -0.474 0.000 1.005 373 I CA -0.546 60.355 61.300 -0.665 0.000 1.113 373 I CB 1.575 38.875 38.000 -1.166 0.000 1.289 373 I HN 0.643 nan 8.210 nan 0.000 0.436 374 R N 4.915 125.294 120.500 -0.201 0.000 2.445 374 R HA 0.657 4.421 4.340 -0.960 0.000 0.308 374 R C -1.601 174.705 176.300 0.010 0.000 0.961 374 R CA -0.647 55.415 56.100 -0.063 0.000 0.862 374 R CB 1.492 31.777 30.300 -0.024 0.000 1.144 374 R HN 0.488 nan 8.270 nan 0.000 0.447 375 L N 3.058 124.336 121.223 0.092 0.000 2.349 375 L HA 0.400 4.164 4.340 -0.960 0.000 0.278 375 L C -0.931 176.001 176.870 0.102 0.000 0.996 375 L CA 0.090 55.012 54.840 0.137 0.000 0.825 375 L CB 2.048 44.261 42.059 0.257 0.000 1.243 375 L HN 0.595 nan 8.230 nan 0.000 0.412 376 S N 4.296 120.042 115.700 0.076 0.000 2.399 376 S HA 0.471 4.365 4.470 -0.960 0.000 0.301 376 S C -0.418 174.239 174.600 0.094 0.000 1.093 376 S CA -0.577 57.662 58.200 0.065 0.000 1.077 376 S CB 0.150 63.360 63.200 0.016 0.000 0.980 376 S HN 0.435 nan 8.310 nan 0.000 0.494 377 V N 6.100 126.090 119.914 0.127 0.000 2.470 377 V HA 0.432 3.976 4.120 -0.960 0.000 0.276 377 V C 1.363 177.623 176.094 0.276 0.000 1.040 377 V CA 0.086 62.477 62.300 0.152 0.000 1.008 377 V CB 0.664 32.561 31.823 0.122 0.000 0.990 377 V HN 0.928 nan 8.190 nan 0.000 0.477 378 G N 3.563 112.489 108.800 0.211 0.000 2.630 378 G HA2 0.474 3.858 3.960 -0.960 0.000 0.223 378 G HA3 0.474 3.858 3.960 -0.960 0.000 0.223 378 G C 0.360 175.315 174.900 0.092 0.000 1.434 378 G CA -0.698 44.549 45.100 0.244 0.000 1.057 378 G HN 0.611 nan 8.290 nan 0.000 0.570 379 L N -0.057 121.157 121.223 -0.015 0.000 2.728 379 L HA 0.275 4.039 4.340 -0.960 0.000 0.238 379 L C 0.444 177.280 176.870 -0.057 0.000 1.143 379 L CA -0.075 54.701 54.840 -0.106 0.000 0.937 379 L CB -0.019 41.943 42.059 -0.161 0.000 1.225 379 L HN 0.347 nan 8.230 nan 0.000 0.507 380 E N 0.340 120.525 120.200 -0.025 0.000 2.416 380 E HA 0.014 3.788 4.350 -0.960 0.000 0.254 380 E C -0.174 176.406 176.600 -0.033 0.000 1.241 380 E CA -0.080 56.305 56.400 -0.025 0.000 0.969 380 E CB 0.395 30.086 29.700 -0.015 0.000 0.999 380 E HN 0.021 nan 8.360 nan 0.000 0.481 381 D N 2.351 122.729 120.400 -0.035 0.000 2.450 381 D HA -0.036 4.028 4.640 -0.960 0.000 0.247 381 D C -1.473 174.798 176.300 -0.048 0.000 1.162 381 D CA -0.873 53.103 54.000 -0.040 0.000 0.879 381 D CB 0.678 41.454 40.800 -0.040 0.000 1.163 381 D HN 0.232 nan 8.370 nan 0.000 0.472 382 P HA -0.176 nan 4.420 nan 0.000 0.218 382 P C 1.140 178.382 177.300 -0.097 0.000 1.149 382 P CA 1.133 64.196 63.100 -0.062 0.000 0.817 382 P CB 0.309 31.979 31.700 -0.049 0.000 0.785 383 E N 0.211 120.357 120.200 -0.089 0.000 2.204 383 E HA -0.174 3.600 4.350 -0.960 0.000 0.194 383 E C 1.289 177.817 176.600 -0.121 0.000 0.989 383 E CA 0.983 57.314 56.400 -0.115 0.000 0.824 383 E CB -1.148 28.501 29.700 -0.085 0.000 0.756 383 E HN 0.243 nan 8.360 nan 0.000 0.477 384 D N 1.356 121.702 120.400 -0.089 0.000 2.117 384 D HA -0.040 4.024 4.640 -0.960 0.000 0.198 384 D C 2.259 178.505 176.300 -0.091 0.000 0.982 384 D CA 0.845 54.796 54.000 -0.082 0.000 0.828 384 D CB -0.150 40.615 40.800 -0.058 0.000 0.967 384 D HN 0.285 nan 8.370 nan 0.000 0.464 385 I N 0.620 121.136 120.570 -0.089 0.000 2.252 385 I HA -0.204 3.390 4.170 -0.960 0.000 0.245 385 I C 2.417 178.444 176.117 -0.150 0.000 1.102 385 I CA 0.736 61.987 61.300 -0.082 0.000 1.385 385 I CB -0.211 37.757 38.000 -0.054 0.000 1.064 385 I HN -0.077 nan 8.210 nan 0.000 0.414 386 I N 1.014 121.429 120.570 -0.258 0.000 2.226 386 I HA -0.272 3.322 4.170 -0.960 0.000 0.245 386 I C 2.223 178.061 176.117 -0.465 0.000 1.100 386 I CA 1.262 62.226 61.300 -0.560 0.000 1.374 386 I CB -0.492 37.068 38.000 -0.734 0.000 1.057 386 I HN 0.280 nan 8.210 nan 0.000 0.413 387 N N 0.649 119.191 118.700 -0.263 0.000 2.120 387 N HA -0.219 3.945 4.740 -0.960 0.000 0.188 387 N C 1.546 177.017 175.510 -0.065 0.000 1.024 387 N CA 1.477 54.439 53.050 -0.147 0.000 0.852 387 N CB -0.466 37.957 38.487 -0.107 0.000 1.003 387 N HN 0.334 nan 8.380 nan 0.000 0.424 388 D N 0.504 120.864 120.400 -0.067 0.000 2.097 388 D HA -0.040 4.024 4.640 -0.960 0.000 0.195 388 D C 2.067 178.411 176.300 0.073 0.000 0.989 388 D CA 0.728 54.727 54.000 -0.001 0.000 0.827 388 D CB -0.122 40.671 40.800 -0.012 0.000 0.966 388 D HN 0.156 nan 8.370 nan 0.000 0.456 389 L N 0.267 121.503 121.223 0.021 0.000 2.046 389 L HA -0.111 3.653 4.340 -0.960 0.000 0.208 389 L C 2.596 179.548 176.870 0.136 0.000 1.077 389 L CA 1.072 55.959 54.840 0.079 0.000 0.747 389 L CB -0.575 41.520 42.059 0.059 0.000 0.896 389 L HN 0.098 nan 8.230 nan 0.000 0.432 390 E N -0.189 120.093 120.200 0.137 0.000 2.058 390 E HA -0.284 3.490 4.350 -0.960 0.000 0.194 390 E C 2.111 178.833 176.600 0.205 0.000 0.997 390 E CA 1.478 58.049 56.400 0.284 0.000 0.801 390 E CB -0.252 29.576 29.700 0.214 0.000 0.746 390 E HN 0.525 nan 8.360 nan 0.000 0.450 391 H N 0.075 119.184 119.070 0.064 0.000 2.290 391 H HA -0.092 3.888 4.556 -0.960 0.000 0.298 391 H C 1.768 177.130 175.328 0.056 0.000 1.087 391 H CA 1.996 58.072 56.048 0.046 0.000 1.291 391 H CB 0.012 29.784 29.762 0.017 0.000 1.369 391 H HN 0.169 nan 8.280 nan 0.000 0.492 392 A N 1.222 124.099 122.820 0.095 0.000 1.898 392 A HA -0.075 3.669 4.320 -0.960 0.000 0.216 392 A C 2.842 180.439 177.584 0.021 0.000 1.181 392 A CA 1.351 53.414 52.037 0.044 0.000 0.620 392 A CB -0.767 18.312 19.000 0.132 0.000 0.819 392 A HN 0.452 nan 8.150 nan 0.000 0.442 393 I N -1.075 119.519 120.570 0.039 0.000 2.142 393 I HA -0.279 3.315 4.170 -0.960 0.000 0.240 393 I C 2.726 178.860 176.117 0.028 0.000 1.078 393 I CA 1.780 63.077 61.300 -0.005 0.000 1.343 393 I CB -0.369 37.531 38.000 -0.166 0.000 1.046 393 I HN 0.351 nan 8.210 nan 0.000 0.405 394 R N 1.341 121.881 120.500 0.066 0.000 2.094 394 R HA -0.239 3.525 4.340 -0.960 0.000 0.239 394 R C 2.331 178.670 176.300 0.065 0.000 1.137 394 R CA 1.907 58.063 56.100 0.093 0.000 0.943 394 R CB -0.129 30.213 30.300 0.070 0.000 0.850 394 R HN 0.302 nan 8.270 nan 0.000 0.433 395 K N -0.505 119.875 120.400 -0.033 0.000 2.063 395 K HA -0.137 3.607 4.320 -0.960 0.000 0.208 395 K C 2.007 178.655 176.600 0.081 0.000 1.048 395 K CA 1.528 57.809 56.287 -0.010 0.000 0.928 395 K CB -0.152 32.272 32.500 -0.127 0.000 0.713 395 K HN 0.247 nan 8.250 nan 0.000 0.442 396 A N 0.847 123.701 122.820 0.057 0.000 2.066 396 A HA -0.087 3.657 4.320 -0.960 0.000 0.218 396 A C 1.946 179.574 177.584 0.073 0.000 1.157 396 A CA 1.777 53.852 52.037 0.064 0.000 0.670 396 A CB -0.327 18.705 19.000 0.053 0.000 0.804 396 A HN 0.476 nan 8.150 nan 0.000 0.453 397 T N -4.608 110.005 114.554 0.099 0.000 2.975 397 T HA 0.311 4.085 4.350 -0.960 0.000 0.261 397 T C 0.436 175.205 174.700 0.115 0.000 0.984 397 T CA -0.172 61.980 62.100 0.087 0.000 0.911 397 T CB -0.465 68.451 68.868 0.079 0.000 1.127 397 T HN 0.251 nan 8.240 nan 0.000 0.514 398 F N 0.000 119.960 119.950 0.016 0.000 2.286 398 F HA 0.000 3.951 4.527 -0.960 0.000 0.279 398 F CA 0.000 58.008 58.000 0.013 0.000 1.383 398 F CB 0.000 39.005 39.000 0.008 0.000 1.145 398 F HN 0.000 nan 8.300 nan 0.000 0.574