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 1c2o_1_B DATA FIRST_RESID 5 DATA SEQUENCE DPQLLVRVRG GQLRGIRLKA PGGPVSAFLG IPFAEPPVGS RRFMPPEPKR DATA SEQUENCE PWSGVLDATT FQNVcYQYVD TLYPGFEGTE MWNPNRELSE DcLYLNVWTP DATA SEQUENCE YPRPASPTPV LIWIYGGGFY SGAASLDVYD GRFLAQVEGA VLVSMNYRVG DATA SEQUENCE TFGFLALPGS REAPGNVGLL DQRLALQWVQ ENIAAFGGDP MSVTLFGESA DATA SEQUENCE GAASVGMHIL SLPSRSLFHR AVLQSGTPNG PWATVSAGEA RRRATLLARL DATA SEQUENCE VGcPPGGAGG NDTELIAcLR TRPAQDLVDH EWHVLPQESI FRFSFVPVVD DATA SEQUENCE GDFLSDTPEA LINTGDFQDL QVLVGVVKDE GSYFLVYGVP GFSKDNESLI DATA SEQUENCE SRAQFLAGVR IGVPQASDLA AEAVVLHYTD WLHPEDPTHL RDAMSAVVGD DATA SEQUENCE HNVVcPVAQL AGRLAAQGAR VYAYIFEHRA STLTWPLWMG VPHGYEIEFI DATA SEQUENCE FGLPLDPSLN YTTEERIFAQ RLMKYWTNFA RTGDPNDPRD SKSPQWPPYT DATA SEQUENCE TAAQQYVSLN LKPLEVRRGL RAQTcAFWNR FLPKLLSAT 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.351 176.300 0.085 0.000 2.045 5 D CA 0.000 54.044 54.000 0.074 0.000 0.868 5 D CB 0.000 40.856 40.800 0.094 0.000 0.688 6 P HA -0.090 nan 4.420 nan 0.000 0.226 6 P C 1.116 178.483 177.300 0.111 0.000 1.153 6 P CA 0.611 63.753 63.100 0.071 0.000 0.777 6 P CB 0.618 32.341 31.700 0.039 0.000 0.794 7 Q N 0.235 120.132 119.800 0.161 0.000 2.050 7 Q HA -0.018 4.322 4.340 -0.000 0.000 0.202 7 Q C 2.136 178.327 176.000 0.318 0.000 0.980 7 Q CA 1.162 57.117 55.803 0.254 0.000 0.840 7 Q CB -0.686 28.314 28.738 0.437 0.000 0.898 7 Q HN 0.398 nan 8.270 nan 0.000 0.424 8 L N 0.300 121.648 121.223 0.209 0.000 2.612 8 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 8 L C 0.393 177.372 176.870 0.181 0.000 1.140 8 L CA -0.107 54.790 54.840 0.094 0.000 0.896 8 L CB 0.065 42.075 42.059 -0.081 0.000 1.065 8 L HN 0.057 nan 8.230 nan 0.000 0.447 9 L N 1.577 122.929 121.223 0.214 0.000 2.316 9 L HA 0.529 4.869 4.340 -0.000 0.000 0.280 9 L C -0.636 176.325 176.870 0.152 0.000 1.006 9 L CA -0.173 54.774 54.840 0.179 0.000 0.836 9 L CB 1.813 43.930 42.059 0.096 0.000 1.221 9 L HN -0.246 nan 8.230 nan 0.000 0.418 10 V N 4.450 124.465 119.914 0.168 0.000 2.789 10 V HA 0.533 4.653 4.120 -0.000 0.000 0.311 10 V C -0.176 175.900 176.094 -0.030 0.000 1.073 10 V CA -1.033 61.225 62.300 -0.070 0.000 0.921 10 V CB 2.501 34.028 31.823 -0.494 0.000 1.009 10 V HN 0.745 nan 8.190 nan 0.000 0.426 11 R N 3.187 123.633 120.500 -0.090 0.000 2.265 11 R HA 0.709 5.049 4.340 -0.000 0.000 0.319 11 R C -1.212 175.037 176.300 -0.085 0.000 1.006 11 R CA -0.047 56.019 56.100 -0.058 0.000 0.880 11 R CB 1.343 31.600 30.300 -0.073 0.000 1.077 11 R HN 0.493 nan 8.270 nan 0.000 0.454 12 V N 5.159 125.065 119.914 -0.015 0.000 3.093 12 V HA 0.347 4.467 4.120 -0.000 0.000 0.320 12 V C 1.489 177.529 176.094 -0.090 0.000 1.093 12 V CA -0.871 61.435 62.300 0.010 0.000 1.016 12 V CB 1.705 33.710 31.823 0.303 0.000 1.096 12 V HN 0.927 nan 8.190 nan 0.000 0.452 13 R N 1.144 121.582 120.500 -0.104 0.000 2.261 13 R HA -0.118 4.221 4.340 -0.000 0.000 0.236 13 R C 1.350 177.571 176.300 -0.132 0.000 1.141 13 R CA 1.645 57.679 56.100 -0.111 0.000 1.001 13 R CB -0.214 30.026 30.300 -0.101 0.000 0.866 13 R HN 0.898 nan 8.270 nan 0.000 0.468 14 G N -1.689 106.981 108.800 -0.216 0.000 3.596 14 G HA2 0.455 4.415 3.960 -0.000 0.000 0.274 14 G HA3 0.455 4.415 3.960 -0.000 0.000 0.274 14 G C -0.155 174.003 174.900 -1.237 0.000 1.007 14 G CA 0.219 45.044 45.100 -0.457 0.000 0.825 14 G HN 0.533 nan 8.290 nan 0.000 0.508 15 G N -0.703 107.492 108.800 -1.007 0.000 2.368 15 G HA2 0.249 4.208 3.960 -0.000 0.000 0.302 15 G HA3 0.249 4.208 3.960 -0.000 0.000 0.302 15 G C -1.368 173.318 174.900 -0.356 0.000 1.329 15 G CA -0.949 43.439 45.100 -1.186 0.000 0.935 15 G HN 0.198 nan 8.290 nan 0.000 0.590 16 Q N -0.723 119.064 119.800 -0.021 0.000 2.227 16 Q HA 0.740 5.080 4.340 -0.000 0.000 0.245 16 Q C -0.541 175.756 176.000 0.495 0.000 0.926 16 Q CA -0.368 55.571 55.803 0.226 0.000 0.895 16 Q CB 1.955 30.775 28.738 0.137 0.000 1.230 16 Q HN 0.461 nan 8.270 nan 0.000 0.450 17 L N 1.188 122.638 121.223 0.379 0.000 2.393 17 L HA 0.600 4.940 4.340 -0.000 0.000 0.260 17 L C -0.644 176.415 176.870 0.315 0.000 1.002 17 L CA -0.884 54.196 54.840 0.399 0.000 0.818 17 L CB 2.402 44.786 42.059 0.541 0.000 1.369 17 L HN 0.518 nan 8.230 nan 0.000 0.412 18 R N 0.897 121.512 120.500 0.192 0.000 2.409 18 R HA 0.682 5.022 4.340 -0.000 0.000 0.313 18 R C -0.176 176.038 176.300 -0.144 0.000 0.953 18 R CA -0.363 55.774 56.100 0.061 0.000 0.849 18 R CB 1.547 31.852 30.300 0.009 0.000 1.171 18 R HN 0.727 nan 8.270 nan 0.000 0.458 19 G N 3.333 111.832 108.800 -0.502 0.000 2.508 19 G HA2 0.376 4.336 3.960 -0.000 0.000 0.278 19 G HA3 0.376 4.336 3.960 -0.000 0.000 0.278 19 G C -0.678 173.875 174.900 -0.579 0.000 1.389 19 G CA -0.631 43.814 45.100 -1.092 0.000 1.050 19 G HN 0.706 nan 8.290 nan 0.000 0.522 20 I N -1.898 118.337 120.570 -0.559 0.000 2.802 20 I HA 0.576 4.746 4.170 -0.000 0.000 0.298 20 I C -0.562 175.343 176.117 -0.354 0.000 1.176 20 I CA -1.168 59.910 61.300 -0.370 0.000 1.025 20 I CB 2.345 40.159 38.000 -0.310 0.000 1.243 20 I HN 0.413 nan 8.210 nan 0.000 0.424 21 R N 6.006 126.318 120.500 -0.314 0.000 2.204 21 R HA 0.485 4.825 4.340 -0.000 0.000 0.341 21 R C -1.583 174.567 176.300 -0.249 0.000 1.035 21 R CA -0.664 55.228 56.100 -0.346 0.000 0.887 21 R CB 0.678 30.675 30.300 -0.504 0.000 1.114 21 R HN 0.541 nan 8.270 nan 0.000 0.473 22 L N 3.581 124.689 121.223 -0.191 0.000 2.379 22 L HA 0.352 4.692 4.340 -0.000 0.000 0.269 22 L C 0.093 176.906 176.870 -0.095 0.000 1.084 22 L CA 0.096 54.858 54.840 -0.129 0.000 0.802 22 L CB 1.256 43.263 42.059 -0.087 0.000 1.175 22 L HN 0.401 nan 8.230 nan 0.000 0.448 23 K N 1.971 122.325 120.400 -0.077 0.000 2.389 23 K HA 0.662 4.982 4.320 -0.000 0.000 0.261 23 K C -0.679 175.897 176.600 -0.041 0.000 1.014 23 K CA -0.390 55.869 56.287 -0.047 0.000 0.920 23 K CB 1.311 33.790 32.500 -0.035 0.000 1.149 23 K HN 0.723 nan 8.250 nan 0.000 0.444 24 A N 4.040 126.835 122.820 -0.042 0.000 2.286 24 A HA 0.375 4.695 4.320 -0.000 0.000 0.286 24 A C -1.725 175.893 177.584 0.056 0.000 1.097 24 A CA -1.453 50.555 52.037 -0.047 0.000 0.821 24 A CB 0.203 19.149 19.000 -0.089 0.000 1.076 24 A HN 0.464 nan 8.150 nan 0.000 0.490 25 P HA -0.166 nan 4.420 nan 0.000 0.216 25 P C 1.299 178.656 177.300 0.095 0.000 1.154 25 P CA 2.158 65.332 63.100 0.124 0.000 0.865 25 P CB 0.129 31.930 31.700 0.168 0.000 0.789 26 G N -2.240 106.622 108.800 0.103 0.000 3.088 26 G HA2 0.432 4.392 3.960 -0.000 0.000 0.212 26 G HA3 0.432 4.392 3.960 -0.000 0.000 0.212 26 G C 0.556 175.499 174.900 0.072 0.000 1.173 26 G CA 0.454 45.602 45.100 0.081 0.000 0.779 26 G HN 0.632 nan 8.290 nan 0.000 0.540 27 G N -0.389 108.452 108.800 0.069 0.000 2.357 27 G HA2 0.281 4.241 3.960 -0.000 0.000 0.289 27 G HA3 0.281 4.241 3.960 -0.000 0.000 0.289 27 G C -3.378 171.565 174.900 0.072 0.000 1.302 27 G CA -0.590 44.554 45.100 0.074 0.000 0.936 27 G HN 0.091 nan 8.290 nan 0.000 0.513 28 P HA 0.607 nan 4.420 nan 0.000 0.281 28 P C -0.590 176.803 177.300 0.155 0.000 1.249 28 P CA -0.404 62.760 63.100 0.106 0.000 0.810 28 P CB 1.846 33.670 31.700 0.207 0.000 1.008 29 V N 0.323 120.285 119.914 0.080 0.000 2.760 29 V HA 0.365 4.485 4.120 -0.000 0.000 0.309 29 V C 0.250 176.395 176.094 0.085 0.000 1.077 29 V CA -0.725 61.660 62.300 0.141 0.000 0.910 29 V CB 1.778 33.688 31.823 0.144 0.000 1.008 29 V HN 0.465 nan 8.190 nan 0.000 0.424 30 S N 2.187 118.016 115.700 0.215 0.000 2.562 30 S HA 0.789 5.259 4.470 -0.000 0.000 0.275 30 S C 0.098 174.788 174.600 0.149 0.000 1.281 30 S CA -0.052 58.257 58.200 0.183 0.000 1.045 30 S CB 1.276 64.753 63.200 0.462 0.000 0.962 30 S HN 1.298 nan 8.310 nan 0.000 0.503 31 A N 2.870 125.608 122.820 -0.137 0.000 2.414 31 A HA 0.696 5.015 4.320 -0.000 0.000 0.286 31 A C -1.308 176.019 177.584 -0.429 0.000 1.073 31 A CA -0.567 51.298 52.037 -0.287 0.000 0.727 31 A CB 0.437 19.145 19.000 -0.487 0.000 1.215 31 A HN 0.657 nan 8.150 nan 0.000 0.430 32 F N 3.193 123.006 119.950 -0.228 0.000 2.334 32 F HA 0.392 4.919 4.527 -0.000 0.000 0.343 32 F C -0.291 175.375 175.800 -0.224 0.000 1.136 32 F CA -0.771 57.167 58.000 -0.104 0.000 1.237 32 F CB 0.971 40.081 39.000 0.183 0.000 1.525 32 F HN 0.311 nan 8.300 nan 0.000 0.528 33 L N 1.793 122.869 121.223 -0.246 0.000 2.319 33 L HA 0.540 4.880 4.340 -0.000 0.000 0.280 33 L C 1.086 177.878 176.870 -0.130 0.000 1.099 33 L CA -0.169 54.508 54.840 -0.270 0.000 0.828 33 L CB 0.546 42.278 42.059 -0.544 0.000 1.150 33 L HN 0.755 nan 8.230 nan 0.000 0.442 34 G N 3.470 112.249 108.800 -0.036 0.000 2.131 34 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.201 34 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.201 34 G C 0.143 174.897 174.900 -0.242 0.000 1.000 34 G CA -0.373 44.638 45.100 -0.148 0.000 0.680 34 G HN 0.483 nan 8.290 nan 0.000 0.514 35 I N 2.679 123.198 120.570 -0.085 0.000 2.494 35 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 35 I C -1.502 174.597 176.117 -0.029 0.000 1.106 35 I CA -1.897 59.345 61.300 -0.097 0.000 1.369 35 I CB 0.540 38.515 38.000 -0.042 0.000 1.410 35 I HN -0.088 nan 8.210 nan 0.000 0.523 36 P HA -0.101 nan 4.420 nan 0.000 0.262 36 P C -0.007 177.367 177.300 0.123 0.000 1.182 36 P CA 0.397 63.594 63.100 0.163 0.000 0.761 36 P CB 0.192 31.866 31.700 -0.043 0.000 0.795 37 F N 1.483 121.431 119.950 -0.004 0.000 2.746 37 F HA 0.693 5.219 4.527 -0.000 0.000 0.313 37 F C 0.286 176.122 175.800 0.061 0.000 1.095 37 F CA -0.499 57.434 58.000 -0.112 0.000 1.224 37 F CB 0.216 39.026 39.000 -0.317 0.000 1.060 37 F HN 0.338 nan 8.300 nan 0.000 0.584 38 A N 0.111 122.765 122.820 -0.276 0.000 2.609 38 A HA 0.559 4.879 4.320 -0.000 0.000 0.291 38 A C -1.039 176.457 177.584 -0.147 0.000 1.096 38 A CA -0.798 51.132 52.037 -0.179 0.000 0.684 38 A CB 0.891 19.676 19.000 -0.358 0.000 1.282 38 A HN 0.045 nan 8.150 nan 0.000 0.412 39 E N 1.511 121.674 120.200 -0.062 0.000 2.366 39 E HA 0.248 4.598 4.350 -0.000 0.000 0.266 39 E C -2.297 174.231 176.600 -0.120 0.000 1.015 39 E CA -1.317 55.054 56.400 -0.049 0.000 0.906 39 E CB 0.077 29.771 29.700 -0.010 0.000 0.979 39 E HN 0.229 nan 8.360 nan 0.000 0.443 40 P HA -0.064 nan 4.420 nan 0.000 0.259 40 P C -2.144 175.068 177.300 -0.147 0.000 1.163 40 P CA -0.476 62.521 63.100 -0.171 0.000 0.760 40 P CB 0.004 31.633 31.700 -0.118 0.000 0.762 41 P HA 0.028 nan 4.420 nan 0.000 0.220 41 P C -0.122 177.081 177.300 -0.162 0.000 1.793 41 P CA -0.032 62.979 63.100 -0.148 0.000 0.917 41 P CB -0.049 31.559 31.700 -0.153 0.000 1.755 42 V N -3.497 116.328 119.914 -0.148 0.000 3.234 42 V HA 0.840 4.960 4.120 -0.000 0.000 0.317 42 V C 1.223 177.240 176.094 -0.129 0.000 1.081 42 V CA 0.318 62.526 62.300 -0.153 0.000 1.037 42 V CB 0.340 32.080 31.823 -0.138 0.000 1.148 42 V HN 0.471 nan 8.190 nan 0.000 0.453 43 G N 1.991 110.713 108.800 -0.130 0.000 2.634 43 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.318 43 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.318 43 G C 1.129 175.969 174.900 -0.101 0.000 1.207 43 G CA 1.765 46.804 45.100 -0.102 0.000 0.987 43 G HN 2.338 nan 8.290 nan 0.000 0.547 44 S N 0.298 115.955 115.700 -0.070 0.000 2.650 44 S HA 0.294 4.764 4.470 -0.000 0.000 0.219 44 S C 1.860 176.427 174.600 -0.056 0.000 0.960 44 S CA 1.239 59.408 58.200 -0.051 0.000 0.925 44 S CB 0.449 63.634 63.200 -0.026 0.000 0.775 44 S HN 0.497 nan 8.310 nan 0.000 0.525 45 R N 1.589 122.037 120.500 -0.086 0.000 2.265 45 R HA 0.338 4.678 4.340 -0.000 0.000 0.194 45 R C 0.787 177.005 176.300 -0.138 0.000 0.931 45 R CA -0.244 55.805 56.100 -0.084 0.000 1.032 45 R CB -0.627 29.624 30.300 -0.081 0.000 0.980 45 R HN 0.481 nan 8.270 nan 0.000 0.497 46 R N 0.630 120.985 120.500 -0.241 0.000 2.583 46 R HA -0.129 4.211 4.340 -0.000 0.000 0.274 46 R C -0.322 175.676 176.300 -0.503 0.000 0.998 46 R CA 0.654 56.465 56.100 -0.482 0.000 1.081 46 R CB 0.037 29.886 30.300 -0.752 0.000 0.940 46 R HN 0.158 nan 8.270 nan 0.000 0.413 47 F N -0.839 119.107 119.950 -0.008 0.000 2.656 47 F HA -0.260 4.267 4.527 -0.000 0.000 0.381 47 F C -0.181 175.598 175.800 -0.036 0.000 0.603 47 F CA 0.293 58.271 58.000 -0.038 0.000 1.335 47 F CB -1.523 37.448 39.000 -0.049 0.000 1.836 47 F HN 0.424 nan 8.300 nan 0.000 0.290 48 M N 1.760 121.399 119.600 0.066 0.000 2.409 48 M HA 0.441 4.921 4.480 -0.000 0.000 0.329 48 M C -1.933 174.380 176.300 0.022 0.000 1.180 48 M CA -2.364 52.962 55.300 0.044 0.000 1.053 48 M CB 0.508 33.118 32.600 0.016 0.000 1.586 48 M HN -0.314 nan 8.290 nan 0.000 0.461 49 P HA 0.131 nan 4.420 nan 0.000 0.267 49 P C -2.565 174.754 177.300 0.031 0.000 1.200 49 P CA -0.650 62.473 63.100 0.039 0.000 0.772 49 P CB -0.823 30.912 31.700 0.059 0.000 0.855 50 P HA 0.244 nan 4.420 nan 0.000 0.274 50 P C -0.496 176.832 177.300 0.047 0.000 1.237 50 P CA 0.076 63.191 63.100 0.024 0.000 0.793 50 P CB 0.998 32.727 31.700 0.047 0.000 0.977 51 E N 1.169 121.385 120.200 0.026 0.000 2.238 51 E HA 0.385 4.735 4.350 -0.000 0.000 0.267 51 E C -2.392 174.251 176.600 0.072 0.000 0.887 51 E CA -2.669 53.763 56.400 0.053 0.000 0.769 51 E CB 1.506 31.229 29.700 0.038 0.000 1.187 51 E HN 0.323 nan 8.360 nan 0.000 0.416 52 P HA -0.044 nan 4.420 nan 0.000 0.267 52 P C -0.617 176.778 177.300 0.158 0.000 1.209 52 P CA -0.249 62.952 63.100 0.169 0.000 0.763 52 P CB 0.340 32.146 31.700 0.178 0.000 0.816 53 K N 4.526 125.040 120.400 0.191 0.000 2.511 53 K HA -0.028 4.292 4.320 -0.000 0.000 0.280 53 K C 0.260 177.013 176.600 0.254 0.000 1.008 53 K CA 0.515 56.924 56.287 0.203 0.000 1.050 53 K CB -0.048 32.612 32.500 0.267 0.000 0.889 53 K HN 0.358 nan 8.250 nan 0.000 0.484 54 R N 4.077 124.706 120.500 0.216 0.000 2.679 54 R HA 0.190 4.530 4.340 -0.000 0.000 0.269 54 R C -1.883 174.602 176.300 0.308 0.000 1.076 54 R CA -1.392 54.831 56.100 0.205 0.000 1.160 54 R CB 0.133 30.521 30.300 0.146 0.000 1.054 54 R HN 0.502 nan 8.270 nan 0.000 0.507 55 P HA 0.042 nan 4.420 nan 0.000 0.275 55 P C -1.367 176.045 177.300 0.186 0.000 1.227 55 P CA -0.271 62.879 63.100 0.084 0.000 0.781 55 P CB 0.320 31.981 31.700 -0.065 0.000 0.906 56 W N 1.598 122.938 121.300 0.068 0.000 2.647 56 W HA 0.694 5.354 4.660 -0.000 0.000 0.353 56 W C -0.017 176.528 176.519 0.043 0.000 1.080 56 W CA -0.984 56.392 57.345 0.052 0.000 1.208 56 W CB 0.195 29.688 29.460 0.054 0.000 1.396 56 W HN 0.427 nan 8.180 nan 0.000 0.573 57 S N 1.775 117.613 115.700 0.231 0.000 2.655 57 S HA 0.725 5.195 4.470 -0.000 0.000 0.265 57 S C 0.827 175.553 174.600 0.209 0.000 1.240 57 S CA 0.258 58.530 58.200 0.121 0.000 0.986 57 S CB 0.470 63.730 63.200 0.100 0.000 0.985 57 S HN 2.043 nan 8.310 nan 0.000 0.562 58 G N -0.109 108.764 108.800 0.123 0.000 2.591 58 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.278 58 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.278 58 G C -0.434 174.591 174.900 0.209 0.000 1.293 58 G CA -0.055 45.126 45.100 0.134 0.000 0.930 58 G HN 1.630 nan 8.290 nan 0.000 0.562 59 V N 1.179 121.203 119.914 0.184 0.000 2.311 59 V HA 0.416 4.536 4.120 -0.000 0.000 0.275 59 V C 0.484 176.698 176.094 0.200 0.000 1.022 59 V CA -0.663 61.763 62.300 0.210 0.000 0.830 59 V CB 1.140 33.038 31.823 0.124 0.000 1.012 59 V HN 0.797 nan 8.190 nan 0.000 0.452 60 L N 5.838 127.248 121.223 0.312 0.000 2.513 60 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 60 L C 0.455 177.327 176.870 0.003 0.000 1.187 60 L CA 0.470 55.317 54.840 0.012 0.000 0.895 60 L CB 0.387 42.266 42.059 -0.300 0.000 1.147 60 L HN 0.688 nan 8.230 nan 0.000 0.483 61 D N 4.424 124.782 120.400 -0.070 0.000 2.389 61 D HA 0.302 4.942 4.640 -0.000 0.000 0.247 61 D C -0.400 175.835 176.300 -0.109 0.000 1.128 61 D CA 0.326 54.282 54.000 -0.073 0.000 0.884 61 D CB 1.452 42.198 40.800 -0.090 0.000 1.194 61 D HN 0.702 nan 8.370 nan 0.000 0.441 62 A N 2.640 125.403 122.820 -0.095 0.000 2.676 62 A HA 0.123 4.443 4.320 -0.000 0.000 0.258 62 A C 0.831 178.299 177.584 -0.193 0.000 0.898 62 A CA -0.045 51.927 52.037 -0.108 0.000 1.087 62 A CB -0.310 18.717 19.000 0.045 0.000 1.214 62 A HN 0.564 nan 8.150 nan 0.000 0.474 63 T N -3.224 111.207 114.554 -0.206 0.000 3.107 63 T HA 0.320 4.670 4.350 -0.000 0.000 0.249 63 T C 0.558 175.096 174.700 -0.271 0.000 1.096 63 T CA 0.835 62.782 62.100 -0.255 0.000 1.012 63 T CB -0.025 68.721 68.868 -0.203 0.000 0.977 63 T HN 0.391 nan 8.240 nan 0.000 0.527 64 T N 0.122 114.529 114.554 -0.246 0.000 2.868 64 T HA 0.547 4.896 4.350 -0.000 0.000 0.306 64 T C -1.841 172.772 174.700 -0.146 0.000 1.224 64 T CA -0.790 61.174 62.100 -0.227 0.000 1.012 64 T CB 0.868 69.656 68.868 -0.133 0.000 1.221 64 T HN 0.028 nan 8.240 nan 0.000 0.499 65 F N 3.347 123.233 119.950 -0.106 0.000 2.504 65 F HA 0.381 4.908 4.527 0.000 0.000 0.369 65 F C 1.259 177.030 175.800 -0.048 0.000 1.082 65 F CA -0.441 57.517 58.000 -0.069 0.000 1.216 65 F CB 0.759 39.731 39.000 -0.046 0.000 1.108 65 F HN 0.440 nan 8.300 nan 0.000 0.554 66 Q N 2.163 122.100 119.800 0.229 0.000 2.397 66 Q HA 0.144 4.484 4.340 -0.000 0.000 0.193 66 Q C -0.071 176.010 176.000 0.135 0.000 1.083 66 Q CA -0.433 55.471 55.803 0.169 0.000 1.108 66 Q CB 0.458 29.397 28.738 0.335 0.000 1.172 66 Q HN 0.480 nan 8.270 nan 0.000 0.617 67 N N -0.039 118.742 118.700 0.136 0.000 2.492 67 N HA 0.038 4.778 4.740 -0.000 0.000 0.262 67 N C -0.499 175.003 175.510 -0.013 0.000 1.202 67 N CA 0.027 53.101 53.050 0.041 0.000 0.926 67 N CB 0.537 39.042 38.487 0.031 0.000 1.078 67 N HN 0.185 nan 8.380 nan 0.000 0.454 68 V N 2.418 122.289 119.914 -0.071 0.000 2.655 68 V HA -0.051 4.069 4.120 -0.000 0.000 0.300 68 V C 0.993 177.015 176.094 -0.120 0.000 1.044 68 V CA -0.529 61.698 62.300 -0.121 0.000 1.095 68 V CB 0.298 32.026 31.823 -0.158 0.000 0.952 68 V HN 0.725 nan 8.190 nan 0.000 0.485 69 c N 4.418 122.946 118.600 -0.120 0.000 2.741 69 c HA 0.039 4.608 4.570 -0.000 0.000 0.403 69 c C 0.557 174.563 174.090 -0.140 0.000 1.282 69 c CA -0.553 55.700 56.329 -0.127 0.000 2.053 69 c CB -0.709 41.744 42.510 -0.094 0.000 2.731 69 c HN 0.730 nan 8.230 nan 0.000 0.680 70 Y N 2.928 123.039 120.300 -0.315 0.000 2.677 70 Y HA 0.292 4.842 4.550 -0.000 0.000 0.335 70 Y C 0.683 176.583 175.900 -0.000 0.000 1.162 70 Y CA 0.912 58.826 58.100 -0.310 0.000 1.483 70 Y CB -0.106 37.888 38.460 -0.776 0.000 1.209 70 Y HN 0.725 nan 8.280 nan 0.000 0.528 71 Q N 4.075 123.665 119.800 -0.351 0.000 2.522 71 Q HA 0.263 4.603 4.340 -0.000 0.000 0.285 71 Q C -1.634 174.392 176.000 0.043 0.000 0.982 71 Q CA -1.230 54.590 55.803 0.028 0.000 0.805 71 Q CB 1.299 30.064 28.738 0.045 0.000 1.457 71 Q HN 0.633 nan 8.270 nan 0.000 0.394 72 Y N 1.095 121.496 120.300 0.167 0.000 2.652 72 Y HA 0.325 4.875 4.550 -0.000 0.000 0.344 72 Y C -1.010 174.994 175.900 0.174 0.000 1.254 72 Y CA 0.268 58.493 58.100 0.210 0.000 1.480 72 Y CB 0.829 39.526 38.460 0.396 0.000 1.345 72 Y HN 0.487 nan 8.280 nan 0.000 0.617 73 V N 6.241 125.905 119.914 -0.417 0.000 2.495 73 V HA 0.110 4.230 4.120 -0.000 0.000 0.298 73 V C -0.447 175.503 176.094 -0.241 0.000 1.031 73 V CA -1.142 61.043 62.300 -0.192 0.000 0.871 73 V CB 1.634 33.347 31.823 -0.183 0.000 0.988 73 V HN 0.819 nan 8.190 nan 0.000 0.432 74 D N 3.007 123.515 120.400 0.179 0.000 2.348 74 D HA 0.161 4.801 4.640 -0.000 0.000 0.253 74 D C 0.613 177.003 176.300 0.149 0.000 1.161 74 D CA 0.104 54.300 54.000 0.326 0.000 0.876 74 D CB 1.767 42.847 40.800 0.467 0.000 1.160 74 D HN 0.699 nan 8.370 nan 0.000 0.459 75 T N 2.950 117.573 114.554 0.115 0.000 3.440 75 T HA -0.005 4.345 4.350 -0.000 0.000 0.209 75 T C 1.707 176.418 174.700 0.019 0.000 0.906 75 T CA 0.002 62.125 62.100 0.038 0.000 1.757 75 T CB -0.313 68.554 68.868 -0.002 0.000 1.568 75 T HN 0.451 nan 8.240 nan 0.000 0.454 76 L N 0.157 121.327 121.223 -0.089 0.000 3.431 76 L HA -0.280 4.060 4.340 -0.000 0.000 0.056 76 L C -0.390 176.220 176.870 -0.433 0.000 4.413 76 L CA 2.143 56.766 54.840 -0.362 0.000 0.544 76 L CB -1.419 40.311 42.059 -0.549 0.000 3.531 76 L HN 0.646 nan 8.230 nan 0.000 0.663 77 Y N 1.806 122.099 120.300 -0.011 0.000 2.863 77 Y HA 0.477 5.027 4.550 -0.000 0.000 0.348 77 Y C -2.134 173.803 175.900 0.062 0.000 1.028 77 Y CA -3.143 54.944 58.100 -0.021 0.000 1.213 77 Y CB 0.100 38.493 38.460 -0.112 0.000 1.120 77 Y HN 0.232 nan 8.280 nan 0.000 0.598 78 P HA 0.182 nan 4.420 nan 0.000 0.271 78 P C 0.985 178.341 177.300 0.094 0.000 1.226 78 P CA 0.859 64.017 63.100 0.097 0.000 0.765 78 P CB 1.315 33.042 31.700 0.046 0.000 0.835 79 G N 2.678 111.520 108.800 0.069 0.000 2.176 79 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 79 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 79 G C -0.217 174.715 174.900 0.054 0.000 0.979 79 G CA -0.245 44.876 45.100 0.035 0.000 0.641 79 G HN 0.555 nan 8.290 nan 0.000 0.530 80 F N 2.344 122.252 119.950 -0.070 0.000 2.445 80 F HA 0.551 5.078 4.527 -0.000 0.000 0.359 80 F C 1.335 177.029 175.800 -0.177 0.000 1.101 80 F CA -0.371 57.536 58.000 -0.155 0.000 1.177 80 F CB 0.955 39.833 39.000 -0.202 0.000 1.110 80 F HN 0.207 nan 8.300 nan 0.000 0.522 81 E N 3.966 123.694 120.200 -0.787 0.000 2.097 81 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 81 E C 2.059 178.068 176.600 -0.985 0.000 1.000 81 E CA 1.509 57.458 56.400 -0.752 0.000 0.804 81 E CB -0.289 29.065 29.700 -0.578 0.000 0.740 81 E HN 1.020 nan 8.360 nan 0.000 0.454 82 G N -0.074 107.503 108.800 -2.037 0.000 2.442 82 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 82 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 82 G C 1.645 176.516 174.900 -0.048 0.000 1.141 82 G CA 1.764 46.098 45.100 -1.277 0.000 0.763 82 G HN 0.478 nan 8.290 nan 0.000 0.554 83 T N -1.498 113.051 114.554 -0.008 0.000 3.004 83 T HA 0.123 4.473 4.350 -0.000 0.000 0.243 83 T C 1.970 176.839 174.700 0.280 0.000 1.020 83 T CA 0.861 63.289 62.100 0.548 0.000 1.145 83 T CB -0.047 69.177 68.868 0.594 0.000 0.876 83 T HN 0.110 nan 8.240 nan 0.000 0.449 84 E N 2.619 122.836 120.200 0.028 0.000 2.070 84 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 84 E C 2.294 178.806 176.600 -0.146 0.000 1.004 84 E CA 1.750 58.126 56.400 -0.041 0.000 0.805 84 E CB -0.683 28.955 29.700 -0.103 0.000 0.744 84 E HN 0.794 nan 8.360 nan 0.000 0.451 85 M N -2.017 117.377 119.600 -0.343 0.000 2.419 85 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 85 M C 1.537 177.445 176.300 -0.655 0.000 1.073 85 M CA 1.653 56.608 55.300 -0.575 0.000 1.056 85 M CB -0.686 31.428 32.600 -0.811 0.000 1.394 85 M HN 0.049 nan 8.290 nan 0.000 0.444 86 W N 0.655 121.906 121.300 -0.082 0.000 2.872 86 W HA 0.242 4.902 4.660 -0.000 0.000 0.266 86 W C 0.839 177.292 176.519 -0.110 0.000 1.276 86 W CA -1.024 56.261 57.345 -0.099 0.000 1.471 86 W CB -0.051 29.421 29.460 0.020 0.000 1.071 86 W HN 0.124 nan 8.180 nan 0.000 0.619 87 N N 1.680 120.439 118.700 0.099 0.000 2.371 87 N HA 0.069 4.809 4.740 -0.000 0.000 0.243 87 N C -2.343 173.121 175.510 -0.076 0.000 1.287 87 N CA -1.003 52.064 53.050 0.029 0.000 0.911 87 N CB -0.194 38.309 38.487 0.027 0.000 1.142 87 N HN -0.287 nan 8.380 nan 0.000 0.451 88 P HA 0.112 nan 4.420 nan 0.000 0.268 88 P C -0.021 177.197 177.300 -0.136 0.000 1.205 88 P CA -0.025 62.990 63.100 -0.141 0.000 0.771 88 P CB 0.351 31.966 31.700 -0.142 0.000 0.858 89 N N 0.934 119.538 118.700 -0.159 0.000 2.170 89 N HA 0.127 4.867 4.740 -0.000 0.000 0.222 89 N C 0.185 175.634 175.510 -0.102 0.000 1.218 89 N CA -0.119 52.851 53.050 -0.133 0.000 0.889 89 N CB 0.296 38.690 38.487 -0.156 0.000 1.083 89 N HN 0.085 nan 8.380 nan 0.000 0.520 90 R N 0.290 120.726 120.500 -0.106 0.000 2.922 90 R HA 0.442 4.782 4.340 -0.000 0.000 0.256 90 R C -0.394 175.866 176.300 -0.067 0.000 1.138 90 R CA -0.800 55.258 56.100 -0.070 0.000 0.995 90 R CB 0.471 30.729 30.300 -0.070 0.000 1.226 90 R HN 0.144 nan 8.270 nan 0.000 0.481 91 E N 0.752 120.927 120.200 -0.042 0.000 2.366 91 E HA 0.177 4.527 4.350 -0.000 0.000 0.266 91 E C -0.152 176.419 176.600 -0.048 0.000 1.051 91 E CA -0.267 56.110 56.400 -0.039 0.000 0.884 91 E CB 0.801 30.490 29.700 -0.017 0.000 1.006 91 E HN 0.220 nan 8.360 nan 0.000 0.417 92 L N 1.898 123.089 121.223 -0.053 0.000 2.439 92 L HA 0.189 4.529 4.340 -0.000 0.000 0.269 92 L C 0.378 177.281 176.870 0.054 0.000 1.179 92 L CA 0.317 55.117 54.840 -0.067 0.000 0.828 92 L CB 0.865 42.806 42.059 -0.196 0.000 1.106 92 L HN 0.476 nan 8.230 nan 0.000 0.467 93 S N 0.712 116.447 115.700 0.058 0.000 2.580 93 S HA 0.140 4.610 4.470 -0.000 0.000 0.281 93 S C 0.061 174.599 174.600 -0.103 0.000 1.129 93 S CA -0.761 57.449 58.200 0.017 0.000 0.862 93 S CB 1.241 64.425 63.200 -0.027 0.000 1.090 93 S HN 0.736 nan 8.310 nan 0.000 0.451 94 E N 0.976 121.049 120.200 -0.211 0.000 2.338 94 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 94 E C -0.333 176.119 176.600 -0.247 0.000 1.007 94 E CA 0.578 56.790 56.400 -0.313 0.000 0.849 94 E CB 0.040 29.518 29.700 -0.369 0.000 0.774 94 E HN 0.556 nan 8.360 nan 0.000 0.506 95 D N 0.310 120.594 120.400 -0.192 0.000 2.468 95 D HA 0.030 4.670 4.640 -0.000 0.000 0.218 95 D C 0.046 176.184 176.300 -0.269 0.000 1.155 95 D CA -0.372 53.503 54.000 -0.207 0.000 0.924 95 D CB 0.104 40.842 40.800 -0.104 0.000 1.029 95 D HN 0.125 nan 8.370 nan 0.000 0.515 96 c N 2.345 120.675 118.600 -0.449 0.000 4.015 96 c HA 0.350 4.920 4.570 -0.000 0.000 0.323 96 c C 0.760 174.432 174.090 -0.697 0.000 1.724 96 c CA -0.620 55.420 56.329 -0.482 0.000 1.828 96 c CB -1.193 41.182 42.510 -0.224 0.000 3.083 96 c HN 0.442 nan 8.230 nan 0.000 0.640 97 L N 2.813 123.486 121.223 -0.917 0.000 2.382 97 L HA 0.307 4.647 4.340 -0.000 0.000 0.259 97 L C -0.721 175.519 176.870 -1.050 0.000 1.291 97 L CA 0.766 55.044 54.840 -0.935 0.000 1.176 97 L CB -0.833 40.622 42.059 -1.006 0.000 1.373 97 L HN 0.372 nan 8.230 nan 0.000 0.426 98 Y N 1.452 121.728 120.300 -0.039 0.000 2.633 98 Y HA 0.694 5.244 4.550 0.000 0.000 0.339 98 Y C 0.126 176.233 175.900 0.344 0.000 1.045 98 Y CA -1.657 56.511 58.100 0.114 0.000 1.098 98 Y CB 1.642 40.115 38.460 0.023 0.000 1.296 98 Y HN 0.167 nan 8.280 nan 0.000 0.494 99 L N -0.463 120.959 121.223 0.333 0.000 2.250 99 L HA 0.801 5.141 4.340 -0.000 0.000 0.252 99 L C -1.176 175.749 176.870 0.093 0.000 1.054 99 L CA -1.020 53.901 54.840 0.135 0.000 0.856 99 L CB 1.622 43.576 42.059 -0.175 0.000 1.443 99 L HN 0.472 nan 8.230 nan 0.000 0.427 100 N N -0.804 117.967 118.700 0.118 0.000 2.321 100 N HA 0.791 5.531 4.740 -0.000 0.000 0.290 100 N C -1.629 173.908 175.510 0.044 0.000 1.212 100 N CA -0.422 52.640 53.050 0.020 0.000 0.767 100 N CB 2.781 41.251 38.487 -0.030 0.000 1.494 100 N HN 0.488 nan 8.380 nan 0.000 0.479 101 V N 0.848 120.706 119.914 -0.094 0.000 2.686 101 V HA 0.496 4.616 4.120 -0.000 0.000 0.306 101 V C -1.120 175.068 176.094 0.157 0.000 1.065 101 V CA -0.747 61.604 62.300 0.086 0.000 0.894 101 V CB 2.435 34.128 31.823 -0.217 0.000 1.004 101 V HN 0.552 nan 8.190 nan 0.000 0.424 102 W N 2.037 123.444 121.300 0.179 0.000 2.656 102 W HA 0.693 5.353 4.660 -0.000 0.000 0.327 102 W C -0.398 176.243 176.519 0.204 0.000 1.041 102 W CA -0.608 56.851 57.345 0.190 0.000 1.229 102 W CB 2.567 32.106 29.460 0.131 0.000 1.397 102 W HN 0.379 nan 8.180 nan 0.000 0.479 103 T N 3.626 118.457 114.554 0.462 0.000 2.909 103 T HA 0.368 4.717 4.350 -0.000 0.000 0.299 103 T C -2.569 172.320 174.700 0.314 0.000 1.073 103 T CA -1.346 60.969 62.100 0.359 0.000 0.999 103 T CB 2.560 71.657 68.868 0.382 0.000 1.098 103 T HN 0.047 nan 8.240 nan 0.000 0.477 104 P HA 0.124 nan 4.420 nan 0.000 0.271 104 P C -1.383 176.064 177.300 0.245 0.000 1.216 104 P CA -0.333 62.892 63.100 0.207 0.000 0.776 104 P CB 0.453 32.239 31.700 0.142 0.000 0.881 105 Y N 5.745 126.104 120.300 0.098 0.000 2.404 105 Y HA 0.380 4.929 4.550 -0.000 0.000 0.344 105 Y C -2.074 173.862 175.900 0.060 0.000 0.970 105 Y CA -2.380 55.769 58.100 0.082 0.000 1.180 105 Y CB 0.712 39.209 38.460 0.062 0.000 1.138 105 Y HN 0.309 nan 8.280 nan 0.000 0.510 106 P HA 0.356 nan 4.420 nan 0.000 0.285 106 P C -0.793 176.492 177.300 -0.025 0.000 1.280 106 P CA -0.787 62.153 63.100 -0.267 0.000 0.862 106 P CB 1.536 33.023 31.700 -0.356 0.000 1.153 107 R N 1.095 121.619 120.500 0.040 0.000 2.503 107 R HA -0.028 4.312 4.340 -0.000 0.000 0.271 107 R C -1.579 174.746 176.300 0.040 0.000 0.960 107 R CA -0.218 55.927 56.100 0.075 0.000 1.104 107 R CB -0.736 29.597 30.300 0.055 0.000 0.879 107 R HN 0.484 nan 8.270 nan 0.000 0.420 108 P HA -0.086 nan 4.420 nan 0.000 0.272 108 P C -0.189 177.122 177.300 0.019 0.000 1.248 108 P CA 0.221 63.346 63.100 0.042 0.000 0.799 108 P CB 0.441 32.174 31.700 0.055 0.000 0.997 109 A N -0.104 122.723 122.820 0.011 0.000 1.861 109 A HA 0.078 4.398 4.320 -0.000 0.000 0.212 109 A C 1.356 178.940 177.584 0.000 0.000 1.199 109 A CA 1.542 53.580 52.037 0.001 0.000 0.613 109 A CB -0.738 18.261 19.000 -0.002 0.000 0.846 109 A HN 0.598 nan 8.150 nan 0.000 0.446 110 S N -1.127 114.576 115.700 0.004 0.000 2.638 110 S HA 0.578 5.048 4.470 -0.000 0.000 0.302 110 S C -3.027 171.579 174.600 0.010 0.000 1.096 110 S CA -1.685 56.516 58.200 0.002 0.000 0.953 110 S CB 1.129 64.327 63.200 -0.003 0.000 1.107 110 S HN -0.013 nan 8.310 nan 0.000 0.503 111 P HA 0.064 nan 4.420 nan 0.000 0.243 111 P C -0.574 176.735 177.300 0.016 0.000 1.134 111 P CA 0.570 63.678 63.100 0.013 0.000 1.109 111 P CB -0.644 31.055 31.700 -0.001 0.000 1.140 112 T N 6.165 120.739 114.554 0.033 0.000 2.898 112 T HA 0.212 4.562 4.350 -0.000 0.000 0.301 112 T C -1.999 172.722 174.700 0.036 0.000 1.049 112 T CA -1.011 61.110 62.100 0.034 0.000 1.095 112 T CB 0.011 68.912 68.868 0.055 0.000 0.976 112 T HN 0.244 nan 8.240 nan 0.000 0.539 113 P HA 0.227 nan 4.420 nan 0.000 0.275 113 P C -0.768 176.565 177.300 0.055 0.000 1.227 113 P CA -0.378 62.734 63.100 0.021 0.000 0.781 113 P CB 0.568 32.261 31.700 -0.013 0.000 0.906 114 V N 1.068 121.032 119.914 0.083 0.000 2.483 114 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 114 V C -0.365 175.809 176.094 0.133 0.000 1.035 114 V CA -1.008 61.364 62.300 0.121 0.000 0.896 114 V CB 1.395 33.308 31.823 0.150 0.000 0.986 114 V HN 0.187 nan 8.190 nan 0.000 0.447 115 L N 5.682 126.993 121.223 0.146 0.000 2.297 115 L HA 0.556 4.896 4.340 -0.000 0.000 0.277 115 L C -0.134 176.978 176.870 0.403 0.000 1.040 115 L CA -0.292 54.655 54.840 0.178 0.000 0.867 115 L CB 0.635 42.678 42.059 -0.027 0.000 1.244 115 L HN 0.641 nan 8.230 nan 0.000 0.433 116 I N 3.879 124.695 120.570 0.411 0.000 2.337 116 I HA 0.084 4.254 4.170 -0.000 0.000 0.291 116 I C -0.316 176.083 176.117 0.470 0.000 1.046 116 I CA -0.088 61.437 61.300 0.375 0.000 1.324 116 I CB 0.407 38.530 38.000 0.205 0.000 1.409 116 I HN 0.599 nan 8.210 nan 0.000 0.494 117 W N 8.901 130.323 121.300 0.203 0.000 2.417 117 W HA 0.530 5.190 4.660 -0.000 0.000 0.317 117 W C -1.496 174.913 176.519 -0.183 0.000 1.121 117 W CA -0.818 56.425 57.345 -0.170 0.000 1.208 117 W CB 1.093 30.445 29.460 -0.181 0.000 1.253 117 W HN 0.275 nan 8.180 nan 0.000 0.533 118 I N 9.105 128.936 120.570 -1.232 0.000 2.390 118 I HA 0.055 4.225 4.170 -0.000 0.000 0.283 118 I C -0.171 175.064 176.117 -1.469 0.000 1.016 118 I CA -1.101 59.546 61.300 -1.088 0.000 1.151 118 I CB 0.489 38.047 38.000 -0.737 0.000 1.293 118 I HN 0.326 nan 8.210 nan 0.000 0.458 119 Y N 4.634 124.406 120.300 -0.880 0.000 2.511 119 Y HA 0.579 5.129 4.550 -0.000 0.000 0.347 119 Y C 0.527 176.277 175.900 -0.250 0.000 1.257 119 Y CA -0.881 56.936 58.100 -0.472 0.000 1.469 119 Y CB 0.096 38.688 38.460 0.219 0.000 1.353 119 Y HN 0.494 nan 8.280 nan 0.000 0.617 120 G N -0.779 108.062 108.800 0.069 0.000 2.571 120 G HA2 0.546 4.506 3.960 -0.000 0.000 0.304 120 G HA3 0.546 4.506 3.960 -0.000 0.000 0.304 120 G C -0.475 174.348 174.900 -0.129 0.000 1.314 120 G CA -0.762 44.288 45.100 -0.084 0.000 0.975 120 G HN 1.370 nan 8.290 nan 0.000 0.485 121 G N -0.888 107.717 108.800 -0.325 0.000 4.836 121 G HA2 0.522 4.482 3.960 -0.000 0.000 0.222 121 G HA3 0.522 4.482 3.960 -0.000 0.000 0.222 121 G C 0.818 175.151 174.900 -0.945 0.000 1.332 121 G CA 0.843 45.597 45.100 -0.577 0.000 0.606 121 G HN 2.086 nan 8.290 nan 0.000 0.357 122 G N 0.137 108.369 108.800 -0.947 0.000 2.175 122 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 122 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 122 G C 0.880 175.437 174.900 -0.571 0.000 0.979 122 G CA 0.614 44.864 45.100 -1.416 0.000 0.663 122 G HN 1.475 nan 8.290 nan 0.000 0.533 123 F N -3.307 116.485 119.950 -0.263 0.000 2.748 123 F HA -0.291 4.236 4.527 -0.000 0.000 0.370 123 F C 1.407 177.261 175.800 0.090 0.000 0.620 123 F CA 2.165 60.136 58.000 -0.048 0.000 1.233 123 F CB -1.979 36.878 39.000 -0.240 0.000 1.708 123 F HN 0.961 nan 8.300 nan 0.000 0.298 124 Y N -1.031 119.332 120.300 0.106 0.000 2.453 124 Y HA 0.663 5.212 4.550 -0.000 0.000 0.247 124 Y C 0.641 176.620 175.900 0.132 0.000 1.124 124 Y CA 0.329 58.511 58.100 0.137 0.000 1.243 124 Y CB 0.034 38.551 38.460 0.096 0.000 1.213 124 Y HN 0.117 nan 8.280 nan 0.000 0.523 125 S N -0.533 114.897 115.700 -0.450 0.000 2.752 125 S HA 0.872 5.342 4.470 -0.000 0.000 0.284 125 S C -0.201 174.245 174.600 -0.256 0.000 1.189 125 S CA -0.394 57.620 58.200 -0.310 0.000 0.835 125 S CB 1.347 64.245 63.200 -0.504 0.000 1.192 125 S HN 1.433 nan 8.310 nan 0.000 0.506 126 G N -0.607 108.027 108.800 -0.276 0.000 2.539 126 G HA2 0.542 4.502 3.960 -0.000 0.000 0.686 126 G HA3 0.542 4.502 3.960 -0.000 0.000 0.686 126 G C -0.597 173.647 174.900 -1.093 0.000 1.258 126 G CA -0.292 44.510 45.100 -0.496 0.000 0.846 126 G HN 2.257 nan 8.290 nan 0.000 0.647 127 A N -0.445 121.620 122.820 -1.259 0.000 2.565 127 A HA 0.982 5.302 4.320 -0.000 0.000 0.298 127 A C 0.737 178.112 177.584 -0.349 0.000 1.062 127 A CA 0.819 52.269 52.037 -0.977 0.000 0.723 127 A CB 0.821 19.533 19.000 -0.480 0.000 1.282 127 A HN 2.595 nan 8.150 nan 0.000 0.400 128 A N 1.010 123.865 122.820 0.059 0.000 1.972 128 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 128 A C 2.022 179.535 177.584 -0.118 0.000 1.169 128 A CA 2.455 54.695 52.037 0.339 0.000 0.635 128 A CB -0.793 18.495 19.000 0.479 0.000 0.810 128 A HN 1.560 nan 8.150 nan 0.000 0.446 129 S N -0.017 115.353 115.700 -0.549 0.000 2.461 129 S HA -0.070 4.400 4.470 -0.000 0.000 0.246 129 S C 0.785 174.958 174.600 -0.712 0.000 1.007 129 S CA 0.375 57.862 58.200 -1.188 0.000 0.976 129 S CB -0.745 62.010 63.200 -0.742 0.000 0.763 129 S HN 0.512 nan 8.310 nan 0.000 0.508 130 L N 1.961 122.884 121.223 -0.500 0.000 2.483 130 L HA 0.024 4.364 4.340 -0.000 0.000 0.275 130 L C 1.386 177.985 176.870 -0.451 0.000 1.220 130 L CA -0.363 54.158 54.840 -0.531 0.000 0.833 130 L CB 0.213 41.785 42.059 -0.811 0.000 1.102 130 L HN 0.031 nan 8.230 nan 0.000 0.490 131 D N 0.928 121.094 120.400 -0.391 0.000 2.084 131 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 131 D C 1.974 178.076 176.300 -0.331 0.000 0.990 131 D CA 1.500 55.341 54.000 -0.266 0.000 0.826 131 D CB -0.113 40.545 40.800 -0.236 0.000 0.971 131 D HN 0.512 nan 8.370 nan 0.000 0.453 132 V N -0.940 118.671 119.914 -0.505 0.000 3.186 132 V HA -0.167 3.953 4.120 -0.000 0.000 0.270 132 V C 0.587 176.291 176.094 -0.649 0.000 1.149 132 V CA 1.093 63.107 62.300 -0.476 0.000 1.160 132 V CB -1.252 30.297 31.823 -0.456 0.000 0.758 132 V HN 0.117 nan 8.190 nan 0.000 0.516 133 Y N 0.024 119.843 120.300 -0.802 0.000 2.708 133 Y HA 0.480 5.030 4.550 -0.000 0.000 0.287 133 Y C 0.700 176.005 175.900 -0.991 0.000 1.145 133 Y CA -2.156 55.028 58.100 -1.526 0.000 1.249 133 Y CB -0.902 36.865 38.460 -1.155 0.000 1.152 133 Y HN 0.233 nan 8.280 nan 0.000 0.532 134 D N 1.116 121.265 120.400 -0.418 0.000 2.357 134 D HA 0.058 4.698 4.640 -0.000 0.000 0.265 134 D C 1.421 177.506 176.300 -0.359 0.000 1.334 134 D CA 0.302 54.215 54.000 -0.146 0.000 0.984 134 D CB 0.818 41.655 40.800 0.063 0.000 1.077 134 D HN 0.527 nan 8.370 nan 0.000 0.514 135 G N 4.216 112.307 108.800 -1.182 0.000 2.990 135 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.206 135 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.206 135 G C 1.520 175.785 174.900 -1.057 0.000 1.169 135 G CA 0.034 44.420 45.100 -1.190 0.000 0.819 135 G HN 0.503 nan 8.290 nan 0.000 0.517 136 R N 0.008 120.007 120.500 -0.834 0.000 2.066 136 R HA -0.060 4.279 4.340 -0.000 0.000 0.232 136 R C 1.801 177.896 176.300 -0.343 0.000 1.131 136 R CA 1.197 57.054 56.100 -0.406 0.000 0.955 136 R CB -0.925 29.198 30.300 -0.295 0.000 0.851 136 R HN 0.346 nan 8.270 nan 0.000 0.432 137 F N 1.860 121.775 119.950 -0.059 0.000 2.069 137 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 137 F C 2.532 178.300 175.800 -0.054 0.000 1.113 137 F CA 1.132 59.108 58.000 -0.040 0.000 1.214 137 F CB -0.744 38.225 39.000 -0.053 0.000 0.978 137 F HN -0.102 nan 8.300 nan 0.000 0.474 138 L N -0.249 121.022 121.223 0.081 0.000 2.261 138 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 138 L C 2.446 179.320 176.870 0.007 0.000 1.114 138 L CA 1.067 55.901 54.840 -0.010 0.000 0.777 138 L CB -0.845 41.144 42.059 -0.117 0.000 0.910 138 L HN 0.225 nan 8.230 nan 0.000 0.440 139 A N -1.425 121.405 122.820 0.018 0.000 1.901 139 A HA -0.101 4.219 4.320 -0.000 0.000 0.210 139 A C 2.225 179.859 177.584 0.083 0.000 1.208 139 A CA 0.470 52.553 52.037 0.078 0.000 0.644 139 A CB -0.355 18.737 19.000 0.154 0.000 0.863 139 A HN 0.298 nan 8.150 nan 0.000 0.454 140 Q N 0.504 120.345 119.800 0.069 0.000 1.956 140 Q HA -0.157 4.183 4.340 -0.000 0.000 0.208 140 Q C 2.180 178.227 176.000 0.077 0.000 0.998 140 Q CA 2.607 58.456 55.803 0.076 0.000 0.855 140 Q CB -0.626 28.143 28.738 0.052 0.000 0.928 140 Q HN 0.343 nan 8.270 nan 0.000 0.418 141 V N 1.607 121.571 119.914 0.083 0.000 2.229 141 V HA -0.185 3.934 4.120 -0.000 0.000 0.243 141 V C 1.992 178.115 176.094 0.047 0.000 1.042 141 V CA 2.084 64.426 62.300 0.070 0.000 1.000 141 V CB -0.491 31.379 31.823 0.079 0.000 0.637 141 V HN 0.367 nan 8.190 nan 0.000 0.446 142 E N 0.177 120.399 120.200 0.037 0.000 2.476 142 E HA 0.145 4.495 4.350 -0.000 0.000 0.191 142 E C 1.513 178.129 176.600 0.027 0.000 1.064 142 E CA 0.705 57.117 56.400 0.021 0.000 0.866 142 E CB -0.193 29.509 29.700 0.003 0.000 0.952 142 E HN 0.676 nan 8.360 nan 0.000 0.492 143 G N 1.739 110.565 108.800 0.045 0.000 2.356 143 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.296 143 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.296 143 G C 0.274 175.210 174.900 0.060 0.000 1.022 143 G CA 0.489 45.623 45.100 0.057 0.000 0.961 143 G HN 0.451 nan 8.290 nan 0.000 0.510 144 A N -0.767 122.090 122.820 0.062 0.000 2.312 144 A HA 0.802 5.122 4.320 -0.000 0.000 0.328 144 A C 0.250 177.903 177.584 0.114 0.000 1.158 144 A CA -0.408 51.668 52.037 0.064 0.000 0.821 144 A CB 1.809 20.825 19.000 0.026 0.000 1.170 144 A HN 1.095 nan 8.150 nan 0.000 0.490 145 V N 3.178 123.169 119.914 0.128 0.000 2.372 145 V HA 0.242 4.362 4.120 -0.000 0.000 0.261 145 V C 0.046 176.259 176.094 0.199 0.000 1.055 145 V CA 0.057 62.467 62.300 0.183 0.000 0.930 145 V CB 0.355 32.284 31.823 0.176 0.000 1.031 145 V HN 0.721 nan 8.190 nan 0.000 0.479 146 L N 6.472 127.853 121.223 0.262 0.000 2.309 146 L HA 0.736 5.076 4.340 -0.000 0.000 0.282 146 L C -0.764 176.380 176.870 0.456 0.000 1.036 146 L CA -0.272 54.753 54.840 0.307 0.000 0.806 146 L CB 1.737 43.908 42.059 0.186 0.000 1.220 146 L HN 0.415 nan 8.230 nan 0.000 0.429 147 V N 3.021 123.195 119.914 0.433 0.000 2.638 147 V HA 0.564 4.684 4.120 -0.000 0.000 0.306 147 V C -0.568 175.812 176.094 0.477 0.000 1.052 147 V CA -0.509 62.048 62.300 0.428 0.000 0.885 147 V CB 1.975 33.956 31.823 0.263 0.000 0.999 147 V HN 0.816 nan 8.190 nan 0.000 0.424 148 S N 5.893 121.918 115.700 0.541 0.000 2.707 148 S HA 0.756 5.226 4.470 -0.000 0.000 0.303 148 S C -0.647 174.182 174.600 0.382 0.000 1.132 148 S CA -0.765 57.751 58.200 0.527 0.000 1.046 148 S CB 1.695 65.316 63.200 0.702 0.000 1.004 148 S HN 0.824 nan 8.310 nan 0.000 0.483 149 M N 1.812 121.554 119.600 0.236 0.000 2.649 149 M HA 0.668 5.148 4.480 -0.000 0.000 0.294 149 M C -1.335 175.194 176.300 0.381 0.000 1.206 149 M CA -0.316 55.103 55.300 0.198 0.000 0.928 149 M CB 0.395 32.933 32.600 -0.104 0.000 1.571 149 M HN 0.506 nan 8.290 nan 0.000 0.501 150 N N 1.447 120.422 118.700 0.459 0.000 2.399 150 N HA 0.624 5.364 4.740 -0.000 0.000 0.295 150 N C -1.611 174.181 175.510 0.469 0.000 1.048 150 N CA -0.073 53.286 53.050 0.516 0.000 0.886 150 N CB 1.083 39.747 38.487 0.295 0.000 1.185 150 N HN 0.675 nan 8.380 nan 0.000 0.487 151 Y N -1.490 118.935 120.300 0.209 0.000 2.477 151 Y HA 0.553 5.103 4.550 -0.000 0.000 0.347 151 Y C -0.046 175.945 175.900 0.153 0.000 0.981 151 Y CA -1.346 56.828 58.100 0.124 0.000 1.033 151 Y CB 0.846 39.320 38.460 0.024 0.000 1.245 151 Y HN 0.201 nan 8.280 nan 0.000 0.455 152 R N 2.583 123.112 120.500 0.048 0.000 2.458 152 R HA 0.354 4.694 4.340 -0.000 0.000 0.303 152 R C 0.151 176.479 176.300 0.046 0.000 1.013 152 R CA 0.000 56.103 56.100 0.004 0.000 1.026 152 R CB 0.249 30.549 30.300 -0.000 0.000 0.948 152 R HN 0.728 nan 8.270 nan 0.000 0.417 153 V N 1.082 121.066 119.914 0.117 0.000 3.503 153 V HA 0.778 4.898 4.120 -0.000 0.000 0.294 153 V C 1.114 177.464 176.094 0.426 0.000 1.102 153 V CA -0.131 62.366 62.300 0.328 0.000 0.979 153 V CB 0.658 32.596 31.823 0.192 0.000 1.240 153 V HN 0.949 nan 8.190 nan 0.000 0.444 154 G N 0.982 110.062 108.800 0.467 0.000 2.578 154 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.284 154 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.284 154 G C 0.847 175.842 174.900 0.158 0.000 1.283 154 G CA 1.430 46.725 45.100 0.327 0.000 0.944 154 G HN 1.981 nan 8.290 nan 0.000 0.558 155 T N -0.810 113.552 114.554 -0.320 0.000 2.720 155 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 155 T C 2.110 176.651 174.700 -0.264 0.000 1.037 155 T CA 2.542 64.228 62.100 -0.690 0.000 1.144 155 T CB -0.390 67.904 68.868 -0.957 0.000 0.864 155 T HN 0.505 nan 8.240 nan 0.000 0.444 156 F N 2.200 122.206 119.950 0.092 0.000 2.134 156 F HA 0.174 4.701 4.527 -0.000 0.000 0.299 156 F C 2.823 178.624 175.800 0.003 0.000 1.097 156 F CA 0.758 58.801 58.000 0.072 0.000 1.264 156 F CB -1.216 37.777 39.000 -0.013 0.000 1.001 156 F HN 0.305 nan 8.300 nan 0.000 0.479 157 G N -1.298 107.570 108.800 0.114 0.000 2.426 157 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.214 157 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.214 157 G C 1.049 175.522 174.900 -0.712 0.000 1.156 157 G CA 0.488 45.403 45.100 -0.309 0.000 0.802 157 G HN 0.369 nan 8.290 nan 0.000 0.534 158 F N -0.514 119.491 119.950 0.092 0.000 2.817 158 F HA 0.437 4.964 4.527 -0.000 0.000 0.333 158 F C 0.668 176.507 175.800 0.066 0.000 1.085 158 F CA -0.957 57.081 58.000 0.063 0.000 1.170 158 F CB 0.256 39.297 39.000 0.068 0.000 1.066 158 F HN -0.090 nan 8.300 nan 0.000 0.564 159 L N 2.254 123.484 121.223 0.011 0.000 2.640 159 L HA 0.326 4.666 4.340 -0.000 0.000 0.280 159 L C -0.018 176.794 176.870 -0.096 0.000 1.229 159 L CA 0.039 54.759 54.840 -0.200 0.000 0.919 159 L CB 0.149 41.783 42.059 -0.709 0.000 1.168 159 L HN 0.156 nan 8.230 nan 0.000 0.496 160 A N 5.607 128.438 122.820 0.017 0.000 2.475 160 A HA 0.733 5.053 4.320 -0.000 0.000 0.301 160 A C -1.344 176.218 177.584 -0.037 0.000 1.059 160 A CA -0.631 51.390 52.037 -0.027 0.000 0.710 160 A CB 1.549 20.572 19.000 0.038 0.000 1.288 160 A HN 0.606 nan 8.150 nan 0.000 0.408 161 L N 3.133 124.325 121.223 -0.053 0.000 2.445 161 L HA 0.364 4.704 4.340 -0.000 0.000 0.252 161 L C -2.240 174.620 176.870 -0.015 0.000 1.105 161 L CA -1.329 53.488 54.840 -0.038 0.000 0.943 161 L CB 1.340 43.366 42.059 -0.054 0.000 1.277 161 L HN 0.425 nan 8.230 nan 0.000 0.465 162 P HA 0.015 nan 4.420 nan 0.000 0.261 162 P C 1.046 178.350 177.300 0.006 0.000 1.158 162 P CA 1.268 64.372 63.100 0.006 0.000 0.758 162 P CB 0.702 32.406 31.700 0.007 0.000 0.763 163 G N 1.756 110.564 108.800 0.013 0.000 2.241 163 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 163 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 163 G C 0.381 175.289 174.900 0.013 0.000 0.998 163 G CA 0.329 45.437 45.100 0.014 0.000 0.621 163 G HN 0.907 nan 8.290 nan 0.000 0.519 164 S N -0.002 115.704 115.700 0.009 0.000 2.585 164 S HA 0.545 5.015 4.470 -0.000 0.000 0.273 164 S C 1.275 175.887 174.600 0.020 0.000 1.339 164 S CA 0.560 58.766 58.200 0.010 0.000 1.028 164 S CB 1.778 64.977 63.200 -0.001 0.000 0.906 164 S HN 0.461 nan 8.310 nan 0.000 0.528 165 R N 0.752 121.266 120.500 0.023 0.000 2.127 165 R HA 0.004 4.344 4.340 -0.000 0.000 0.217 165 R C 1.404 177.728 176.300 0.040 0.000 1.074 165 R CA 1.282 57.401 56.100 0.031 0.000 0.991 165 R CB -0.065 30.251 30.300 0.028 0.000 0.895 165 R HN 0.919 nan 8.270 nan 0.000 0.450 166 E N -1.012 119.214 120.200 0.043 0.000 2.481 166 E HA 0.113 4.463 4.350 -0.000 0.000 0.198 166 E C -0.360 176.302 176.600 0.104 0.000 1.027 166 E CA 0.136 56.578 56.400 0.071 0.000 0.900 166 E CB 1.223 30.968 29.700 0.074 0.000 0.993 166 E HN 0.164 nan 8.360 nan 0.000 0.482 167 A N 2.514 125.366 122.820 0.054 0.000 3.330 167 A HA 0.280 4.600 4.320 -0.000 0.000 0.256 167 A C -2.356 175.227 177.584 -0.003 0.000 1.185 167 A CA -0.744 51.308 52.037 0.025 0.000 0.940 167 A CB 0.814 19.740 19.000 -0.124 0.000 1.397 167 A HN -0.051 nan 8.150 nan 0.000 0.678 168 P HA 0.275 nan 4.420 nan 0.000 0.251 168 P C 0.824 178.139 177.300 0.025 0.000 1.223 168 P CA 1.344 64.459 63.100 0.025 0.000 0.796 168 P CB 0.454 32.178 31.700 0.039 0.000 1.068 169 G N 1.222 110.032 108.800 0.017 0.000 2.730 169 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 169 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 169 G C -0.052 174.835 174.900 -0.022 0.000 1.343 169 G CA -0.288 44.823 45.100 0.018 0.000 0.826 169 G HN 0.133 nan 8.290 nan 0.000 0.582 170 N N -2.408 116.274 118.700 -0.030 0.000 2.828 170 N HA -0.287 4.453 4.740 -0.000 0.000 0.248 170 N C 1.895 177.220 175.510 -0.308 0.000 1.044 170 N CA 2.412 55.369 53.050 -0.154 0.000 0.851 170 N CB -1.662 36.686 38.487 -0.231 0.000 1.136 170 N HN 1.932 nan 8.380 nan 0.000 0.572 171 V N -2.513 117.234 119.914 -0.277 0.000 2.720 171 V HA -0.002 4.118 4.120 -0.000 0.000 0.256 171 V C 2.276 178.214 176.094 -0.260 0.000 1.082 171 V CA 2.293 64.477 62.300 -0.193 0.000 1.101 171 V CB -0.866 30.901 31.823 -0.094 0.000 0.693 171 V HN 0.283 nan 8.190 nan 0.000 0.479 172 G N 0.120 108.564 108.800 -0.593 0.000 2.443 172 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.219 172 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.219 172 G C 1.503 176.380 174.900 -0.039 0.000 1.131 172 G CA 0.991 45.895 45.100 -0.327 0.000 0.775 172 G HN 0.535 nan 8.290 nan 0.000 0.547 173 L N -0.128 120.990 121.223 -0.175 0.000 2.095 173 L HA 0.133 4.473 4.340 -0.000 0.000 0.204 173 L C 2.795 179.691 176.870 0.043 0.000 1.080 173 L CA 0.291 55.042 54.840 -0.148 0.000 0.759 173 L CB -0.313 41.364 42.059 -0.637 0.000 0.914 173 L HN 0.158 nan 8.230 nan 0.000 0.439 174 L N -0.311 120.915 121.223 0.006 0.000 2.127 174 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 174 L C 2.161 179.140 176.870 0.182 0.000 1.089 174 L CA 1.056 56.001 54.840 0.175 0.000 0.757 174 L CB -0.744 41.390 42.059 0.126 0.000 0.899 174 L HN 0.316 nan 8.230 nan 0.000 0.434 175 D N 0.215 120.707 120.400 0.154 0.000 2.087 175 D HA -0.218 4.422 4.640 -0.000 0.000 0.192 175 D C 2.285 178.742 176.300 0.262 0.000 0.993 175 D CA 1.343 55.514 54.000 0.285 0.000 0.828 175 D CB -0.290 40.685 40.800 0.291 0.000 0.968 175 D HN 0.403 nan 8.370 nan 0.000 0.448 176 Q N 0.135 120.012 119.800 0.128 0.000 2.096 176 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 176 Q C 2.251 178.218 176.000 -0.055 0.000 0.982 176 Q CA 1.314 57.103 55.803 -0.022 0.000 0.850 176 Q CB -0.223 28.480 28.738 -0.058 0.000 0.901 176 Q HN 0.264 nan 8.270 nan 0.000 0.422 177 R N 1.013 121.560 120.500 0.079 0.000 2.081 177 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 177 R C 2.192 178.509 176.300 0.029 0.000 1.131 177 R CA 1.033 57.133 56.100 -0.000 0.000 0.960 177 R CB -0.342 30.063 30.300 0.175 0.000 0.856 177 R HN 0.327 nan 8.270 nan 0.000 0.436 178 L N 0.721 122.016 121.223 0.119 0.000 2.046 178 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 178 L C 2.433 179.336 176.870 0.055 0.000 1.077 178 L CA 1.897 56.847 54.840 0.183 0.000 0.747 178 L CB -0.770 41.501 42.059 0.353 0.000 0.896 178 L HN 0.438 nan 8.230 nan 0.000 0.432 179 A N -0.355 122.284 122.820 -0.302 0.000 1.933 179 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 179 A C 2.053 179.550 177.584 -0.145 0.000 1.175 179 A CA 1.316 52.962 52.037 -0.650 0.000 0.628 179 A CB -0.517 17.891 19.000 -0.986 0.000 0.814 179 A HN 0.396 nan 8.150 nan 0.000 0.444 180 L N 0.017 121.178 121.223 -0.104 0.000 2.017 180 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 180 L C 2.714 179.630 176.870 0.077 0.000 1.073 180 L CA 2.241 57.067 54.840 -0.024 0.000 0.745 180 L CB -1.103 40.883 42.059 -0.121 0.000 0.894 180 L HN 0.530 nan 8.230 nan 0.000 0.432 181 Q N -2.443 117.413 119.800 0.094 0.000 2.226 181 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 181 Q C 2.072 178.188 176.000 0.195 0.000 0.975 181 Q CA 1.777 57.656 55.803 0.126 0.000 0.866 181 Q CB -0.445 28.368 28.738 0.125 0.000 0.915 181 Q HN 0.649 nan 8.270 nan 0.000 0.440 182 W N 0.510 121.827 121.300 0.028 0.000 2.408 182 W HA -0.144 4.516 4.660 -0.000 0.000 0.311 182 W C 2.050 178.598 176.519 0.049 0.000 1.190 182 W CA 0.844 58.227 57.345 0.065 0.000 1.321 182 W CB -0.321 29.192 29.460 0.088 0.000 1.143 182 W HN -0.117 nan 8.180 nan 0.000 0.501 183 V N 1.272 121.489 119.914 0.506 0.000 2.278 183 V HA -0.403 3.717 4.120 -0.000 0.000 0.251 183 V C 2.490 178.630 176.094 0.077 0.000 1.062 183 V CA 2.692 65.173 62.300 0.302 0.000 1.038 183 V CB -0.835 31.146 31.823 0.263 0.000 0.646 183 V HN 0.336 nan 8.190 nan 0.000 0.447 184 Q N 0.993 120.841 119.800 0.081 0.000 1.998 184 Q HA -0.251 4.089 4.340 -0.000 0.000 0.209 184 Q C 1.928 177.914 176.000 -0.024 0.000 1.002 184 Q CA 2.608 58.437 55.803 0.043 0.000 0.858 184 Q CB -0.442 28.326 28.738 0.051 0.000 0.932 184 Q HN 0.922 nan 8.270 nan 0.000 0.416 185 E N -1.510 118.647 120.200 -0.072 0.000 2.359 185 E HA 0.044 4.394 4.350 -0.000 0.000 0.187 185 E C 0.173 176.620 176.600 -0.255 0.000 1.081 185 E CA 0.216 56.540 56.400 -0.127 0.000 0.929 185 E CB 0.138 29.786 29.700 -0.086 0.000 1.086 185 E HN 0.263 nan 8.360 nan 0.000 0.462 186 N N -0.208 118.283 118.700 -0.348 0.000 1.863 186 N HA 0.002 4.742 4.740 -0.000 0.000 0.226 186 N C 0.794 176.188 175.510 -0.193 0.000 1.421 186 N CA -0.002 52.785 53.050 -0.438 0.000 0.746 186 N CB 0.264 38.050 38.487 -1.169 0.000 1.059 186 N HN 0.108 nan 8.380 nan 0.000 0.518 187 I N 2.563 123.068 120.570 -0.108 0.000 2.614 187 I HA 0.020 4.190 4.170 -0.000 0.000 0.258 187 I C 2.214 178.449 176.117 0.196 0.000 1.189 187 I CA 0.821 62.182 61.300 0.101 0.000 1.462 187 I CB -0.347 37.707 38.000 0.090 0.000 1.092 187 I HN 0.110 nan 8.210 nan 0.000 0.442 188 A N 0.954 123.815 122.820 0.069 0.000 1.896 188 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 188 A C 2.462 180.059 177.584 0.023 0.000 1.206 188 A CA 2.361 54.418 52.037 0.034 0.000 0.647 188 A CB -1.525 17.465 19.000 -0.017 0.000 0.828 188 A HN 0.537 nan 8.150 nan 0.000 0.455 189 A N -2.411 120.390 122.820 -0.033 0.000 2.234 189 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 189 A C 1.304 178.649 177.584 -0.399 0.000 1.167 189 A CA 1.211 53.117 52.037 -0.219 0.000 0.698 189 A CB -0.692 18.107 19.000 -0.336 0.000 0.779 189 A HN 0.512 nan 8.150 nan 0.000 0.475 190 F N -1.603 118.290 119.950 -0.095 0.000 2.661 190 F HA 0.402 4.929 4.527 0.000 0.000 0.306 190 F C 1.644 177.440 175.800 -0.007 0.000 1.094 190 F CA 0.256 58.203 58.000 -0.088 0.000 1.254 190 F CB 0.348 39.296 39.000 -0.086 0.000 1.040 190 F HN 0.279 nan 8.300 nan 0.000 0.562 191 G N 0.456 109.326 108.800 0.116 0.000 2.141 191 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.242 191 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.242 191 G C 0.555 175.517 174.900 0.104 0.000 0.982 191 G CA -0.215 44.937 45.100 0.087 0.000 0.662 191 G HN 0.729 nan 8.290 nan 0.000 0.527 192 G N -0.649 108.232 108.800 0.135 0.000 2.425 192 G HA2 0.503 4.463 3.960 -0.000 0.000 0.302 192 G HA3 0.503 4.463 3.960 -0.000 0.000 0.302 192 G C -0.810 174.135 174.900 0.076 0.000 1.159 192 G CA 0.072 45.240 45.100 0.114 0.000 0.865 192 G HN 0.198 nan 8.290 nan 0.000 0.515 193 D N 1.409 121.845 120.400 0.060 0.000 2.380 193 D HA 0.267 4.907 4.640 -0.000 0.000 0.230 193 D C -1.071 175.262 176.300 0.055 0.000 1.154 193 D CA -2.363 51.657 54.000 0.035 0.000 0.859 193 D CB 1.802 42.605 40.800 0.006 0.000 1.045 193 D HN 0.054 nan 8.370 nan 0.000 0.495 194 P HA -0.105 nan 4.420 nan 0.000 0.236 194 P C 0.918 178.302 177.300 0.140 0.000 1.172 194 P CA 0.423 63.579 63.100 0.094 0.000 0.759 194 P CB 0.294 32.030 31.700 0.059 0.000 0.843 195 M N -0.758 118.857 119.600 0.024 0.000 2.382 195 M HA 0.100 4.580 4.480 -0.000 0.000 0.247 195 M C 0.821 176.846 176.300 -0.459 0.000 1.104 195 M CA 0.140 55.328 55.300 -0.186 0.000 1.030 195 M CB -0.649 31.847 32.600 -0.173 0.000 1.424 195 M HN -0.108 nan 8.290 nan 0.000 0.486 196 S N 0.434 116.071 115.700 -0.104 0.000 2.204 196 S HA 0.440 4.910 4.470 -0.000 0.000 0.147 196 S C -0.856 173.838 174.600 0.158 0.000 1.711 196 S CA -0.584 57.592 58.200 -0.040 0.000 1.274 196 S CB 0.162 63.303 63.200 -0.097 0.000 1.257 196 S HN -0.081 nan 8.310 nan 0.000 0.404 197 V N 3.225 123.390 119.914 0.418 0.000 2.385 197 V HA 0.445 4.565 4.120 -0.000 0.000 0.269 197 V C 0.275 176.545 176.094 0.293 0.000 1.043 197 V CA -0.079 62.406 62.300 0.308 0.000 0.906 197 V CB 1.281 33.263 31.823 0.266 0.000 0.995 197 V HN 0.777 nan 8.190 nan 0.000 0.467 198 T N 7.288 121.978 114.554 0.227 0.000 2.842 198 T HA 0.499 4.848 4.350 -0.000 0.000 0.308 198 T C -0.080 174.797 174.700 0.295 0.000 1.041 198 T CA -0.263 61.979 62.100 0.238 0.000 0.964 198 T CB 0.279 69.222 68.868 0.125 0.000 0.972 198 T HN 0.345 nan 8.240 nan 0.000 0.460 199 L N 4.690 126.087 121.223 0.290 0.000 2.439 199 L HA 0.573 4.913 4.340 -0.000 0.000 0.269 199 L C -0.245 176.872 176.870 0.412 0.000 1.179 199 L CA -0.458 54.520 54.840 0.230 0.000 0.828 199 L CB 0.219 42.247 42.059 -0.052 0.000 1.106 199 L HN 0.629 nan 8.230 nan 0.000 0.467 200 F N 0.532 120.553 119.950 0.117 0.000 2.651 200 F HA 0.811 5.338 4.527 -0.000 0.000 0.329 200 F C -0.526 175.272 175.800 -0.003 0.000 1.186 200 F CA -0.976 57.136 58.000 0.186 0.000 1.046 200 F CB 0.918 40.152 39.000 0.390 0.000 1.296 200 F HN 0.439 nan 8.300 nan 0.000 0.497 201 G N 2.478 111.094 108.800 -0.307 0.000 2.695 201 G HA2 0.525 4.484 3.960 -0.000 0.000 0.290 201 G HA3 0.525 4.484 3.960 -0.000 0.000 0.290 201 G C -2.234 172.419 174.900 -0.412 0.000 1.410 201 G CA -0.772 43.788 45.100 -0.899 0.000 0.844 201 G HN 0.810 nan 8.290 nan 0.000 0.478 202 E N -0.111 119.799 120.200 -0.482 0.000 2.285 202 E HA 0.580 4.930 4.350 -0.000 0.000 0.254 202 E C 1.167 177.669 176.600 -0.164 0.000 1.011 202 E CA 0.090 56.404 56.400 -0.145 0.000 0.873 202 E CB 1.985 31.694 29.700 0.014 0.000 1.229 202 E HN 0.525 nan 8.360 nan 0.000 0.422 203 S N 0.444 116.108 115.700 -0.060 0.000 4.103 203 S HA -0.396 4.074 4.470 -0.000 0.000 0.538 203 S C 1.458 176.093 174.600 0.058 0.000 1.351 203 S CA 2.483 60.733 58.200 0.084 0.000 3.695 203 S CB -1.326 61.888 63.200 0.024 0.000 1.942 203 S HN 0.762 nan 8.310 nan 0.000 0.539 204 A N 0.728 123.446 122.820 -0.170 0.000 2.121 204 A HA 0.247 4.566 4.320 -0.000 0.000 0.218 204 A C 2.331 179.647 177.584 -0.446 0.000 1.154 204 A CA 1.879 53.654 52.037 -0.436 0.000 0.679 204 A CB -1.382 16.802 19.000 -1.359 0.000 0.795 204 A HN 1.178 nan 8.150 nan 0.000 0.458 205 G N -0.160 108.409 108.800 -0.384 0.000 2.421 205 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.216 205 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.216 205 G C 1.755 176.441 174.900 -0.358 0.000 1.171 205 G CA 1.293 46.105 45.100 -0.480 0.000 0.775 205 G HN 0.718 nan 8.290 nan 0.000 0.543 206 A N 1.412 124.083 122.820 -0.248 0.000 1.883 206 A HA 0.156 4.475 4.320 -0.000 0.000 0.217 206 A C 2.858 180.384 177.584 -0.096 0.000 1.186 206 A CA 2.571 54.535 52.037 -0.121 0.000 0.624 206 A CB -1.011 17.979 19.000 -0.017 0.000 0.822 206 A HN 0.920 nan 8.150 nan 0.000 0.444 207 A N -0.635 122.147 122.820 -0.064 0.000 1.948 207 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 207 A C 2.452 180.002 177.584 -0.056 0.000 1.177 207 A CA 2.316 54.315 52.037 -0.063 0.000 0.636 207 A CB -0.878 18.111 19.000 -0.018 0.000 0.815 207 A HN 0.484 nan 8.150 nan 0.000 0.449 208 S N -0.600 115.043 115.700 -0.095 0.000 2.345 208 S HA -0.121 4.349 4.470 -0.000 0.000 0.220 208 S C 1.916 176.353 174.600 -0.272 0.000 1.031 208 S CA 1.308 59.403 58.200 -0.176 0.000 0.996 208 S CB -0.611 62.426 63.200 -0.272 0.000 0.882 208 S HN 0.346 nan 8.310 nan 0.000 0.445 209 V N 1.987 121.782 119.914 -0.199 0.000 2.317 209 V HA -0.252 3.867 4.120 -0.000 0.000 0.251 209 V C 2.605 178.627 176.094 -0.120 0.000 1.065 209 V CA 2.069 64.284 62.300 -0.142 0.000 1.049 209 V CB -1.601 30.163 31.823 -0.099 0.000 0.651 209 V HN 0.617 nan 8.190 nan 0.000 0.450 210 G N -1.101 107.639 108.800 -0.101 0.000 2.440 210 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 210 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 210 G C 1.605 176.475 174.900 -0.049 0.000 1.154 210 G CA 1.246 46.301 45.100 -0.075 0.000 0.767 210 G HN 0.465 nan 8.290 nan 0.000 0.552 211 M N -0.503 119.046 119.600 -0.085 0.000 2.319 211 M HA 0.028 4.507 4.480 -0.000 0.000 0.265 211 M C 2.225 178.551 176.300 0.043 0.000 1.068 211 M CA 0.994 56.293 55.300 -0.002 0.000 1.118 211 M CB -0.202 32.404 32.600 0.011 0.000 1.395 211 M HN 0.385 nan 8.290 nan 0.000 0.435 212 H N -0.073 119.029 119.070 0.053 0.000 2.326 212 H HA -0.081 4.475 4.556 -0.000 0.000 0.301 212 H C 2.021 177.412 175.328 0.105 0.000 1.081 212 H CA 1.525 57.563 56.048 -0.016 0.000 1.334 212 H CB 0.009 29.594 29.762 -0.296 0.000 1.385 212 H HN 0.279 nan 8.280 nan 0.000 0.504 213 I N 0.250 120.970 120.570 0.250 0.000 2.264 213 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 213 I C 1.431 177.715 176.117 0.280 0.000 1.111 213 I CA 0.652 62.187 61.300 0.392 0.000 1.382 213 I CB 0.006 38.153 38.000 0.245 0.000 1.060 213 I HN 0.270 nan 8.210 nan 0.000 0.418 214 L N -0.313 121.016 121.223 0.177 0.000 2.478 214 L HA 0.096 4.436 4.340 -0.000 0.000 0.223 214 L C 1.143 178.069 176.870 0.093 0.000 1.140 214 L CA 1.008 55.946 54.840 0.162 0.000 0.842 214 L CB -0.829 41.293 42.059 0.106 0.000 0.953 214 L HN 0.012 nan 8.230 nan 0.000 0.452 215 S N -0.531 115.192 115.700 0.037 0.000 2.429 215 S HA 0.285 4.755 4.470 -0.000 0.000 0.302 215 S C 1.099 175.651 174.600 -0.081 0.000 1.115 215 S CA -0.649 57.461 58.200 -0.150 0.000 1.095 215 S CB 0.838 63.695 63.200 -0.571 0.000 0.987 215 S HN 0.005 nan 8.310 nan 0.000 0.474 216 L N 7.267 128.443 121.223 -0.080 0.000 1.944 216 L HA 0.013 4.353 4.340 -0.000 0.000 0.218 216 L C -0.687 176.161 176.870 -0.036 0.000 1.075 216 L CA 2.049 56.867 54.840 -0.037 0.000 0.767 216 L CB -2.121 39.918 42.059 -0.034 0.000 0.890 216 L HN 0.491 nan 8.230 nan 0.000 0.434 217 P HA -0.167 nan 4.420 nan 0.000 0.218 217 P C 1.765 179.058 177.300 -0.011 0.000 1.152 217 P CA 1.762 64.835 63.100 -0.046 0.000 0.857 217 P CB -0.071 31.590 31.700 -0.065 0.000 0.787 218 S N -1.353 114.345 115.700 -0.004 0.000 2.507 218 S HA -0.069 4.401 4.470 -0.000 0.000 0.235 218 S C 1.785 176.560 174.600 0.293 0.000 0.988 218 S CA 0.552 58.819 58.200 0.112 0.000 0.944 218 S CB -0.466 62.836 63.200 0.169 0.000 0.762 218 S HN 0.095 nan 8.310 nan 0.000 0.526 219 R N 2.151 122.764 120.500 0.188 0.000 2.094 219 R HA -0.056 4.284 4.340 -0.000 0.000 0.239 219 R C 2.337 178.526 176.300 -0.185 0.000 1.137 219 R CA 1.792 57.901 56.100 0.016 0.000 0.943 219 R CB -1.587 28.694 30.300 -0.033 0.000 0.850 219 R HN 0.545 nan 8.270 nan 0.000 0.433 220 S N 1.216 116.867 115.700 -0.083 0.000 2.584 220 S HA -0.009 4.461 4.470 -0.000 0.000 0.240 220 S C 1.703 176.236 174.600 -0.111 0.000 0.975 220 S CA 0.659 58.797 58.200 -0.104 0.000 0.949 220 S CB -0.348 62.832 63.200 -0.033 0.000 0.761 220 S HN 0.289 nan 8.310 nan 0.000 0.536 221 L N -0.119 121.089 121.223 -0.026 0.000 2.693 221 L HA 0.517 4.856 4.340 -0.000 0.000 0.235 221 L C -0.065 176.835 176.870 0.050 0.000 1.127 221 L CA -0.485 54.369 54.840 0.024 0.000 0.914 221 L CB -0.295 41.803 42.059 0.066 0.000 1.193 221 L HN 0.404 nan 8.230 nan 0.000 0.502 222 F N -3.020 116.696 119.950 -0.390 0.000 2.713 222 F HA 0.525 5.052 4.527 -0.000 0.000 0.311 222 F C 0.121 175.574 175.800 -0.579 0.000 1.141 222 F CA -1.133 56.631 58.000 -0.393 0.000 0.939 222 F CB 0.911 39.839 39.000 -0.119 0.000 1.325 222 F HN -0.117 nan 8.300 nan 0.000 0.453 223 H N -1.009 118.036 119.070 -0.041 0.000 2.735 223 H HA 0.484 5.040 4.556 -0.000 0.000 0.250 223 H C 0.015 175.310 175.328 -0.054 0.000 0.948 223 H CA -0.135 55.816 56.048 -0.162 0.000 1.137 223 H CB 0.554 30.259 29.762 -0.095 0.000 1.440 223 H HN 0.381 nan 8.280 nan 0.000 0.444 224 R N 0.454 121.076 120.500 0.202 0.000 2.873 224 R HA 0.823 5.163 4.340 -0.000 0.000 0.264 224 R C -1.280 175.281 176.300 0.435 0.000 1.026 224 R CA -0.833 55.385 56.100 0.197 0.000 1.002 224 R CB 2.287 32.486 30.300 -0.168 0.000 1.174 224 R HN 0.213 nan 8.270 nan 0.000 0.488 225 A N 1.089 124.218 122.820 0.515 0.000 2.520 225 A HA 0.627 4.947 4.320 -0.000 0.000 0.298 225 A C -1.424 176.365 177.584 0.343 0.000 1.051 225 A CA -0.583 51.704 52.037 0.417 0.000 0.690 225 A CB 1.729 20.936 19.000 0.345 0.000 1.281 225 A HN 0.345 nan 8.150 nan 0.000 0.402 226 V N 1.508 121.599 119.914 0.295 0.000 2.680 226 V HA 0.673 4.793 4.120 -0.000 0.000 0.309 226 V C -1.115 175.114 176.094 0.225 0.000 1.052 226 V CA -0.502 61.935 62.300 0.228 0.000 0.908 226 V CB 1.629 33.711 31.823 0.433 0.000 1.001 226 V HN 0.710 nan 8.190 nan 0.000 0.431 227 L N 4.069 125.400 121.223 0.181 0.000 2.471 227 L HA 0.483 4.823 4.340 -0.000 0.000 0.263 227 L C -0.288 176.687 176.870 0.176 0.000 0.985 227 L CA -0.062 54.849 54.840 0.120 0.000 0.868 227 L CB 1.687 43.765 42.059 0.032 0.000 1.203 227 L HN 0.645 nan 8.230 nan 0.000 0.429 228 Q N 1.393 121.329 119.800 0.228 0.000 2.278 228 Q HA 0.496 4.836 4.340 -0.000 0.000 0.257 228 Q C 0.419 176.511 176.000 0.153 0.000 0.928 228 Q CA -0.610 55.361 55.803 0.281 0.000 0.932 228 Q CB 1.399 30.369 28.738 0.387 0.000 1.221 228 Q HN 0.553 nan 8.270 nan 0.000 0.434 229 S N 0.773 116.554 115.700 0.136 0.000 3.581 229 S HA -0.172 4.298 4.470 -0.000 0.000 0.354 229 S C 0.002 174.760 174.600 0.263 0.000 1.059 229 S CA 0.678 58.983 58.200 0.176 0.000 1.060 229 S CB -1.092 62.181 63.200 0.121 0.000 0.908 229 S HN 0.993 nan 8.310 nan 0.000 0.475 230 G N -0.626 108.282 108.800 0.180 0.000 2.616 230 G HA2 0.602 4.562 3.960 -0.000 0.000 0.294 230 G HA3 0.602 4.562 3.960 -0.000 0.000 0.294 230 G C -0.875 174.073 174.900 0.080 0.000 1.489 230 G CA 0.221 45.480 45.100 0.265 0.000 0.836 230 G HN 0.824 nan 8.290 nan 0.000 0.527 231 T N -1.549 112.981 114.554 -0.041 0.000 2.812 231 T HA 0.783 5.132 4.350 -0.000 0.000 0.294 231 T C -2.427 172.119 174.700 -0.257 0.000 1.159 231 T CA -1.304 60.708 62.100 -0.147 0.000 1.008 231 T CB 2.884 71.647 68.868 -0.175 0.000 1.289 231 T HN 0.296 nan 8.240 nan 0.000 0.514 232 P HA 0.090 nan 4.420 nan 0.000 0.240 232 P C 0.700 177.844 177.300 -0.261 0.000 1.190 232 P CA 0.417 63.388 63.100 -0.214 0.000 0.781 232 P CB 0.082 31.706 31.700 -0.127 0.000 0.931 233 N N -0.188 118.355 118.700 -0.263 0.000 2.356 233 N HA 0.003 4.743 4.740 -0.000 0.000 0.178 233 N C 1.193 176.523 175.510 -0.300 0.000 1.075 233 N CA 0.155 53.064 53.050 -0.235 0.000 0.889 233 N CB -0.650 37.741 38.487 -0.161 0.000 0.999 233 N HN -0.082 nan 8.380 nan 0.000 0.464 234 G N 2.266 110.804 108.800 -0.436 0.000 2.418 234 G HA2 0.081 4.041 3.960 -0.000 0.000 0.276 234 G HA3 0.081 4.041 3.960 -0.000 0.000 0.276 234 G C -1.125 173.507 174.900 -0.447 0.000 1.442 234 G CA -0.215 44.598 45.100 -0.478 0.000 1.066 234 G HN 0.170 nan 8.290 nan 0.000 0.553 235 P HA 0.039 nan 4.420 nan 0.000 0.235 235 P C 1.113 178.325 177.300 -0.146 0.000 1.177 235 P CA 1.059 63.996 63.100 -0.272 0.000 0.785 235 P CB 0.119 31.615 31.700 -0.341 0.000 0.885 236 W N -1.744 119.466 121.300 -0.150 0.000 2.868 236 W HA 0.607 5.267 4.660 -0.000 0.000 0.320 236 W C 0.655 177.259 176.519 0.142 0.000 1.076 236 W CA 0.330 57.668 57.345 -0.011 0.000 1.576 236 W CB -0.545 28.952 29.460 0.061 0.000 1.030 236 W HN -0.169 nan 8.180 nan 0.000 0.558 237 A N 1.969 124.527 122.820 -0.435 0.000 2.275 237 A HA 0.296 4.616 4.320 -0.000 0.000 0.212 237 A C 0.748 178.242 177.584 -0.150 0.000 1.201 237 A CA 1.313 53.231 52.037 -0.198 0.000 0.843 237 A CB -0.702 17.858 19.000 -0.733 0.000 0.873 237 A HN 0.199 nan 8.150 nan 0.000 0.492 238 T N -3.250 111.213 114.554 -0.152 0.000 2.853 238 T HA 0.599 4.949 4.350 -0.000 0.000 0.311 238 T C -0.689 173.949 174.700 -0.104 0.000 1.307 238 T CA -0.079 61.926 62.100 -0.158 0.000 1.019 238 T CB 1.313 70.092 68.868 -0.148 0.000 1.264 238 T HN 1.003 nan 8.240 nan 0.000 0.497 239 V N -1.137 118.719 119.914 -0.097 0.000 3.102 239 V HA 0.956 5.076 4.120 -0.000 0.000 0.312 239 V C 0.176 176.235 176.094 -0.059 0.000 1.135 239 V CA -0.739 61.517 62.300 -0.073 0.000 1.022 239 V CB 1.434 33.208 31.823 -0.082 0.000 1.056 239 V HN 1.413 nan 8.190 nan 0.000 0.436 240 S N 1.385 117.057 115.700 -0.047 0.000 2.655 240 S HA 0.725 5.195 4.470 -0.000 0.000 0.265 240 S C 1.359 175.943 174.600 -0.027 0.000 1.240 240 S CA -0.014 58.166 58.200 -0.033 0.000 0.986 240 S CB 1.179 64.363 63.200 -0.028 0.000 0.985 240 S HN 1.865 nan 8.310 nan 0.000 0.562 241 A N 1.183 123.994 122.820 -0.016 0.000 1.851 241 A HA 0.116 4.436 4.320 -0.000 0.000 0.216 241 A C 2.291 179.867 177.584 -0.013 0.000 1.195 241 A CA 1.865 53.896 52.037 -0.009 0.000 0.622 241 A CB -2.033 16.966 19.000 -0.003 0.000 0.831 241 A HN 1.177 nan 8.150 nan 0.000 0.444 242 G N -0.745 108.046 108.800 -0.015 0.000 2.513 242 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 242 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 242 G C 1.512 176.398 174.900 -0.023 0.000 1.160 242 G CA 1.223 46.313 45.100 -0.016 0.000 0.767 242 G HN 0.502 nan 8.290 nan 0.000 0.571 243 E N 0.552 120.733 120.200 -0.032 0.000 2.152 243 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 243 E C 2.957 179.523 176.600 -0.056 0.000 0.983 243 E CA 0.810 57.182 56.400 -0.046 0.000 0.818 243 E CB -0.273 29.391 29.700 -0.059 0.000 0.758 243 E HN 0.342 nan 8.360 nan 0.000 0.467 244 A N 1.569 124.364 122.820 -0.043 0.000 1.851 244 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 244 A C 2.245 179.831 177.584 0.003 0.000 1.195 244 A CA 2.026 54.049 52.037 -0.023 0.000 0.622 244 A CB -0.628 18.372 19.000 0.001 0.000 0.831 244 A HN 0.195 nan 8.150 nan 0.000 0.444 245 R N -0.594 119.904 120.500 -0.004 0.000 2.094 245 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 245 R C 2.472 178.771 176.300 -0.002 0.000 1.137 245 R CA 1.940 58.038 56.100 -0.003 0.000 0.943 245 R CB -0.396 29.898 30.300 -0.009 0.000 0.850 245 R HN 0.504 nan 8.270 nan 0.000 0.433 246 R N 0.579 121.071 120.500 -0.013 0.000 2.117 246 R HA -0.187 4.153 4.340 -0.000 0.000 0.243 246 R C 1.898 178.192 176.300 -0.009 0.000 1.143 246 R CA 2.222 58.314 56.100 -0.014 0.000 0.968 246 R CB -0.087 30.199 30.300 -0.023 0.000 0.863 246 R HN 0.339 nan 8.270 nan 0.000 0.444 247 R N -0.645 119.840 120.500 -0.024 0.000 2.246 247 R HA 0.146 4.486 4.340 -0.000 0.000 0.199 247 R C 2.121 178.516 176.300 0.158 0.000 0.984 247 R CA 0.702 56.794 56.100 -0.014 0.000 1.015 247 R CB -0.073 30.087 30.300 -0.234 0.000 0.930 247 R HN 0.178 nan 8.270 nan 0.000 0.475 248 A N 1.308 124.212 122.820 0.141 0.000 1.826 248 A HA -0.165 4.155 4.320 -0.000 0.000 0.214 248 A C 2.326 179.920 177.584 0.016 0.000 1.212 248 A CA 1.907 54.008 52.037 0.106 0.000 0.605 248 A CB -1.294 17.713 19.000 0.010 0.000 0.861 248 A HN 0.400 nan 8.150 nan 0.000 0.447 249 T N -1.080 113.471 114.554 -0.005 0.000 2.665 249 T HA -0.236 4.113 4.350 -0.000 0.000 0.268 249 T C 1.801 176.497 174.700 -0.006 0.000 1.035 249 T CA 1.875 63.964 62.100 -0.018 0.000 1.151 249 T CB -0.749 68.110 68.868 -0.015 0.000 0.862 249 T HN 0.401 nan 8.240 nan 0.000 0.438 250 L N 0.982 122.213 121.223 0.013 0.000 2.012 250 L HA 0.123 4.463 4.340 -0.000 0.000 0.210 250 L C 2.458 179.336 176.870 0.014 0.000 1.073 250 L CA 1.838 56.686 54.840 0.013 0.000 0.748 250 L CB -1.196 40.876 42.059 0.022 0.000 0.891 250 L HN 0.393 nan 8.230 nan 0.000 0.431 251 L N -0.133 121.125 121.223 0.058 0.000 2.012 251 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 251 L C 2.557 179.406 176.870 -0.034 0.000 1.073 251 L CA 2.136 57.002 54.840 0.044 0.000 0.748 251 L CB -0.847 41.267 42.059 0.091 0.000 0.891 251 L HN 0.360 nan 8.230 nan 0.000 0.431 252 A N -0.264 122.529 122.820 -0.045 0.000 1.859 252 A HA -0.333 3.987 4.320 -0.000 0.000 0.217 252 A C 2.473 180.026 177.584 -0.052 0.000 1.198 252 A CA 2.292 54.295 52.037 -0.056 0.000 0.629 252 A CB -0.894 18.071 19.000 -0.059 0.000 0.830 252 A HN 0.521 nan 8.150 nan 0.000 0.446 253 R N -0.662 119.810 120.500 -0.047 0.000 2.113 253 R HA -0.160 4.180 4.340 -0.000 0.000 0.244 253 R C 2.031 178.281 176.300 -0.083 0.000 1.142 253 R CA 1.876 57.946 56.100 -0.049 0.000 0.953 253 R CB -0.532 29.746 30.300 -0.037 0.000 0.860 253 R HN 0.587 nan 8.270 nan 0.000 0.438 254 L N -0.166 120.973 121.223 -0.141 0.000 2.353 254 L HA -0.122 4.218 4.340 -0.000 0.000 0.220 254 L C 1.872 178.569 176.870 -0.288 0.000 1.133 254 L CA 0.516 55.179 54.840 -0.296 0.000 0.798 254 L CB -0.006 41.690 42.059 -0.605 0.000 0.922 254 L HN 0.109 nan 8.230 nan 0.000 0.445 255 V N -0.689 119.142 119.914 -0.138 0.000 3.578 255 V HA 0.251 4.371 4.120 -0.000 0.000 0.290 255 V C 1.360 177.448 176.094 -0.010 0.000 1.376 255 V CA 0.889 63.170 62.300 -0.030 0.000 1.083 255 V CB 0.349 32.177 31.823 0.009 0.000 0.911 255 V HN 0.645 nan 8.190 nan 0.000 0.433 256 G N -0.220 108.564 108.800 -0.028 0.000 2.141 256 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.242 256 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.242 256 G C 0.162 175.057 174.900 -0.009 0.000 0.982 256 G CA 0.057 45.150 45.100 -0.012 0.000 0.662 256 G HN 0.486 nan 8.290 nan 0.000 0.527 257 c N 2.981 121.572 118.600 -0.015 0.000 2.264 257 c HA 0.666 5.236 4.570 -0.000 0.000 0.324 257 c C -1.133 172.947 174.090 -0.018 0.000 1.267 257 c CA -1.433 54.889 56.329 -0.011 0.000 1.618 257 c CB 1.339 43.845 42.510 -0.007 0.000 2.278 257 c HN 0.459 nan 8.230 nan 0.000 0.499 258 P HA 0.355 nan 4.420 nan 0.000 0.278 258 P C -2.780 174.517 177.300 -0.006 0.000 1.258 258 P CA -1.422 61.675 63.100 -0.006 0.000 0.811 258 P CB 0.490 32.187 31.700 -0.005 0.000 1.063 259 P HA 0.300 nan 4.420 nan 0.000 0.284 259 P C 0.434 177.733 177.300 -0.001 0.000 1.253 259 P CA 0.695 63.795 63.100 -0.001 0.000 0.800 259 P CB 0.460 32.161 31.700 0.002 0.000 0.961 260 G N 2.004 110.803 108.800 -0.001 0.000 2.681 260 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.220 260 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.220 260 G C 0.300 175.198 174.900 -0.002 0.000 1.353 260 G CA -0.348 44.752 45.100 -0.001 0.000 0.872 260 G HN 0.716 nan 8.290 nan 0.000 0.557 261 G N -0.006 108.793 108.800 -0.002 0.000 3.782 261 G HA2 0.723 4.683 3.960 -0.000 0.000 0.288 261 G HA3 0.723 4.683 3.960 -0.000 0.000 0.288 261 G C 0.725 175.623 174.900 -0.002 0.000 1.300 261 G CA 1.385 46.483 45.100 -0.002 0.000 1.261 261 G HN 1.697 nan 8.290 nan 0.000 0.591 262 A N -0.018 122.801 122.820 -0.003 0.000 2.495 262 A HA 0.971 5.291 4.320 -0.000 0.000 0.260 262 A C 0.969 178.551 177.584 -0.003 0.000 1.608 262 A CA 0.363 52.399 52.037 -0.002 0.000 0.834 262 A CB 0.139 19.138 19.000 -0.002 0.000 1.526 262 A HN 1.852 nan 8.150 nan 0.000 0.578 263 G N -4.629 104.169 108.800 -0.003 0.000 2.347 263 G HA2 0.488 4.448 3.960 -0.000 0.000 0.477 263 G HA3 0.488 4.448 3.960 -0.000 0.000 0.477 263 G C 0.754 175.652 174.900 -0.004 0.000 1.349 263 G CA 0.479 45.577 45.100 -0.004 0.000 1.000 263 G HN 2.459 nan 8.290 nan 0.000 0.605 264 G N -0.694 108.104 108.800 -0.005 0.000 2.225 264 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.267 264 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.267 264 G C 0.211 175.109 174.900 -0.003 0.000 1.024 264 G CA 1.148 46.246 45.100 -0.004 0.000 0.784 264 G HN 1.607 nan 8.290 nan 0.000 0.507 265 N N 0.098 118.796 118.700 -0.004 0.000 2.609 265 N HA 0.252 4.992 4.740 -0.000 0.000 0.268 265 N C 0.487 175.995 175.510 -0.004 0.000 1.106 265 N CA -0.382 52.667 53.050 -0.001 0.000 0.823 265 N CB 1.111 39.599 38.487 0.001 0.000 1.263 265 N HN -0.018 nan 8.380 nan 0.000 0.533 266 D N 1.098 121.495 120.400 -0.005 0.000 2.144 266 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 266 D C 1.341 177.638 176.300 -0.006 0.000 0.984 266 D CA 1.570 55.563 54.000 -0.011 0.000 0.834 266 D CB 0.144 40.936 40.800 -0.014 0.000 0.955 266 D HN 0.537 nan 8.370 nan 0.000 0.465 267 T N 1.387 115.944 114.554 0.004 0.000 2.684 267 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 267 T C 1.800 176.509 174.700 0.015 0.000 1.036 267 T CA 1.236 63.344 62.100 0.013 0.000 1.148 267 T CB -0.309 68.567 68.868 0.014 0.000 0.863 267 T HN 0.333 nan 8.240 nan 0.000 0.436 268 E N 0.845 121.051 120.200 0.009 0.000 2.110 268 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 268 E C 2.261 178.867 176.600 0.010 0.000 0.988 268 E CA 0.678 57.084 56.400 0.010 0.000 0.804 268 E CB -0.331 29.372 29.700 0.006 0.000 0.745 268 E HN 0.375 nan 8.360 nan 0.000 0.458 269 L N 1.256 122.480 121.223 0.001 0.000 1.989 269 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 269 L C 2.321 179.190 176.870 -0.002 0.000 1.071 269 L CA 1.166 56.000 54.840 -0.009 0.000 0.749 269 L CB -0.163 41.881 42.059 -0.025 0.000 0.890 269 L HN 0.169 nan 8.230 nan 0.000 0.431 270 I N -0.129 120.443 120.570 0.004 0.000 2.315 270 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 270 I C 2.842 179.025 176.117 0.110 0.000 1.117 270 I CA 1.257 62.587 61.300 0.049 0.000 1.404 270 I CB -1.679 36.359 38.000 0.063 0.000 1.071 270 I HN 0.283 nan 8.210 nan 0.000 0.419 271 A N 0.846 123.705 122.820 0.065 0.000 1.883 271 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 271 A C 2.698 180.313 177.584 0.051 0.000 1.186 271 A CA 2.113 54.183 52.037 0.054 0.000 0.624 271 A CB -1.401 17.619 19.000 0.032 0.000 0.822 271 A HN 0.585 nan 8.150 nan 0.000 0.444 272 c N -0.668 117.956 118.600 0.040 0.000 2.413 272 c HA -0.082 4.488 4.570 -0.000 0.000 0.276 272 c C 2.602 176.723 174.090 0.052 0.000 1.236 272 c CA 1.280 57.628 56.329 0.033 0.000 1.735 272 c CB -1.616 40.905 42.510 0.019 0.000 2.031 272 c HN 0.597 nan 8.230 nan 0.000 0.474 273 L N 0.157 121.428 121.223 0.081 0.000 2.127 273 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 273 L C 2.928 179.907 176.870 0.181 0.000 1.089 273 L CA 1.524 56.444 54.840 0.135 0.000 0.757 273 L CB -0.599 41.556 42.059 0.160 0.000 0.899 273 L HN 0.350 nan 8.230 nan 0.000 0.434 274 R N -0.814 119.784 120.500 0.164 0.000 2.285 274 R HA -0.131 4.209 4.340 -0.000 0.000 0.213 274 R C 2.042 178.341 176.300 -0.002 0.000 1.068 274 R CA 1.496 57.622 56.100 0.044 0.000 1.004 274 R CB -0.063 30.253 30.300 0.027 0.000 0.873 274 R HN 0.466 nan 8.270 nan 0.000 0.467 275 T N -2.123 112.442 114.554 0.018 0.000 3.044 275 T HA 0.145 4.495 4.350 -0.000 0.000 0.250 275 T C 0.622 175.321 174.700 -0.001 0.000 1.081 275 T CA -0.365 61.735 62.100 -0.001 0.000 1.040 275 T CB 0.253 69.124 68.868 0.005 0.000 0.962 275 T HN -0.059 nan 8.240 nan 0.000 0.506 276 R N 2.776 123.286 120.500 0.017 0.000 2.438 276 R HA 0.323 4.663 4.340 -0.000 0.000 0.287 276 R C -2.622 173.678 176.300 -0.000 0.000 1.077 276 R CA -2.089 54.021 56.100 0.018 0.000 1.034 276 R CB -0.306 30.017 30.300 0.038 0.000 0.993 276 R HN 0.289 nan 8.270 nan 0.000 0.459 277 P HA -0.097 nan 4.420 nan 0.000 0.263 277 P C 0.475 177.739 177.300 -0.060 0.000 1.175 277 P CA 0.352 63.420 63.100 -0.054 0.000 0.761 277 P CB 0.436 32.117 31.700 -0.033 0.000 0.794 278 A N 3.646 126.357 122.820 -0.181 0.000 1.896 278 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 278 A C 2.184 179.761 177.584 -0.010 0.000 1.206 278 A CA 2.390 54.315 52.037 -0.186 0.000 0.647 278 A CB -1.457 16.929 19.000 -1.023 0.000 0.828 278 A HN 0.554 nan 8.150 nan 0.000 0.455 279 Q N -0.208 119.548 119.800 -0.072 0.000 2.297 279 Q HA -0.173 4.167 4.340 -0.000 0.000 0.208 279 Q C 1.185 177.273 176.000 0.148 0.000 0.981 279 Q CA 1.963 57.905 55.803 0.231 0.000 0.876 279 Q CB -0.450 28.412 28.738 0.206 0.000 0.921 279 Q HN 0.672 nan 8.270 nan 0.000 0.446 280 D N -1.000 119.452 120.400 0.087 0.000 2.117 280 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 280 D C 1.330 177.690 176.300 0.100 0.000 0.987 280 D CA 0.786 54.839 54.000 0.089 0.000 0.829 280 D CB 0.011 40.860 40.800 0.081 0.000 0.961 280 D HN 0.216 nan 8.370 nan 0.000 0.460 281 L N 0.342 121.609 121.223 0.073 0.000 2.005 281 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 281 L C 2.520 179.384 176.870 -0.009 0.000 1.072 281 L CA 0.948 55.780 54.840 -0.012 0.000 0.744 281 L CB -1.290 40.653 42.059 -0.193 0.000 0.895 281 L HN 0.011 nan 8.230 nan 0.000 0.433 282 V N 0.070 120.046 119.914 0.104 0.000 2.453 282 V HA -0.302 3.818 4.120 -0.000 0.000 0.252 282 V C 2.269 178.398 176.094 0.060 0.000 1.068 282 V CA 1.668 64.054 62.300 0.143 0.000 1.070 282 V CB -0.599 31.425 31.823 0.335 0.000 0.664 282 V HN 0.403 nan 8.190 nan 0.000 0.461 283 D N -1.054 119.354 120.400 0.014 0.000 2.182 283 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 283 D C 1.886 177.940 176.300 -0.411 0.000 0.986 283 D CA 1.303 55.214 54.000 -0.148 0.000 0.847 283 D CB -0.174 40.514 40.800 -0.185 0.000 0.942 283 D HN 0.528 nan 8.370 nan 0.000 0.467 284 H N -0.092 118.898 119.070 -0.133 0.000 2.586 284 H HA 0.138 4.694 4.556 -0.000 0.000 0.273 284 H C 1.578 176.757 175.328 -0.249 0.000 0.997 284 H CA -0.079 55.804 56.048 -0.275 0.000 1.177 284 H CB 0.675 30.398 29.762 -0.066 0.000 1.471 284 H HN 0.293 nan 8.280 nan 0.000 0.538 285 E N 0.693 120.800 120.200 -0.156 0.000 2.095 285 E HA -0.237 4.113 4.350 -0.000 0.000 0.212 285 E C 0.859 177.263 176.600 -0.326 0.000 1.044 285 E CA 1.625 57.871 56.400 -0.258 0.000 0.857 285 E CB -0.055 29.281 29.700 -0.606 0.000 0.764 285 E HN 0.495 nan 8.360 nan 0.000 0.462 286 W N -0.636 120.638 121.300 -0.042 0.000 3.077 286 W HA -0.001 4.659 4.660 -0.000 0.000 0.245 286 W C 1.233 177.858 176.519 0.176 0.000 1.316 286 W CA 0.169 57.514 57.345 0.001 0.000 1.537 286 W CB 0.035 29.472 29.460 -0.040 0.000 1.131 286 W HN 0.253 nan 8.180 nan 0.000 0.695 287 H N -0.461 118.751 119.070 0.237 0.000 2.517 287 H HA 0.071 4.626 4.556 -0.000 0.000 0.282 287 H C 1.573 176.971 175.328 0.118 0.000 1.023 287 H CA 0.180 56.341 56.048 0.188 0.000 1.169 287 H CB 0.287 30.190 29.762 0.235 0.000 1.454 287 H HN 0.145 nan 8.280 nan 0.000 0.556 288 V N -2.107 117.916 119.914 0.181 0.000 3.528 288 V HA 0.217 4.337 4.120 -0.000 0.000 0.294 288 V C 0.514 176.614 176.094 0.010 0.000 1.404 288 V CA -0.262 62.080 62.300 0.071 0.000 1.065 288 V CB -0.207 31.634 31.823 0.030 0.000 0.904 288 V HN 0.136 nan 8.190 nan 0.000 0.435 289 L N 2.266 123.521 121.223 0.054 0.000 2.483 289 L HA 0.246 4.586 4.340 -0.000 0.000 0.276 289 L C -0.658 176.222 176.870 0.018 0.000 1.213 289 L CA -0.858 53.997 54.840 0.026 0.000 0.843 289 L CB 0.815 42.920 42.059 0.076 0.000 1.107 289 L HN 0.157 nan 8.230 nan 0.000 0.487 290 P HA 0.031 nan 4.420 nan 0.000 0.240 290 P C -0.527 176.772 177.300 -0.001 0.000 1.190 290 P CA 0.594 63.691 63.100 -0.005 0.000 0.781 290 P CB 0.700 32.389 31.700 -0.017 0.000 0.931 291 Q N -1.289 118.511 119.800 -0.001 0.000 2.511 291 Q HA 0.323 4.663 4.340 -0.000 0.000 0.289 291 Q C -0.736 175.261 176.000 -0.004 0.000 1.021 291 Q CA -0.738 55.063 55.803 -0.004 0.000 0.785 291 Q CB 1.435 30.166 28.738 -0.011 0.000 1.472 291 Q HN -0.081 nan 8.270 nan 0.000 0.411 292 E N 0.837 121.032 120.200 -0.008 0.000 2.384 292 E HA 0.418 4.768 4.350 -0.000 0.000 0.266 292 E C -0.919 175.664 176.600 -0.028 0.000 1.012 292 E CA 0.231 56.622 56.400 -0.014 0.000 0.901 292 E CB 0.457 30.149 29.700 -0.014 0.000 0.967 292 E HN 0.631 nan 8.360 nan 0.000 0.435 293 S N 3.164 118.838 115.700 -0.043 0.000 2.656 293 S HA 0.564 5.033 4.470 -0.000 0.000 0.265 293 S C -0.747 173.800 174.600 -0.087 0.000 1.132 293 S CA -0.960 57.203 58.200 -0.060 0.000 0.819 293 S CB 0.346 63.510 63.200 -0.061 0.000 1.119 293 S HN 0.566 nan 8.310 nan 0.000 0.476 294 I N -3.279 117.234 120.570 -0.094 0.000 2.865 294 I HA 0.795 4.965 4.170 -0.000 0.000 0.302 294 I C -0.490 175.549 176.117 -0.131 0.000 1.140 294 I CA -1.183 60.060 61.300 -0.094 0.000 1.021 294 I CB 1.436 39.428 38.000 -0.013 0.000 1.233 294 I HN 0.785 nan 8.210 nan 0.000 0.427 295 F N 1.667 121.377 119.950 -0.400 0.000 3.027 295 F HA -0.204 4.323 4.527 -0.000 0.000 0.276 295 F C -0.069 175.212 175.800 -0.866 0.000 0.967 295 F CA 0.802 58.344 58.000 -0.763 0.000 0.929 295 F CB -0.743 37.720 39.000 -0.896 0.000 0.873 295 F HN 0.732 nan 8.300 nan 0.000 0.787 296 R N 0.771 120.744 120.500 -0.878 0.000 2.548 296 R HA 0.678 5.018 4.340 -0.000 0.000 0.280 296 R C -1.547 174.294 176.300 -0.765 0.000 1.061 296 R CA -0.402 55.336 56.100 -0.604 0.000 0.915 296 R CB 1.008 31.173 30.300 -0.226 0.000 1.210 296 R HN -0.024 nan 8.270 nan 0.000 0.442 297 F N 1.003 121.097 119.950 0.239 0.000 2.551 297 F HA 0.383 4.910 4.527 -0.000 0.000 0.316 297 F C 1.217 177.057 175.800 0.067 0.000 1.089 297 F CA -0.852 57.315 58.000 0.280 0.000 0.915 297 F CB 2.385 41.605 39.000 0.366 0.000 1.186 297 F HN 0.473 nan 8.300 nan 0.000 0.456 298 S N 0.647 116.381 115.700 0.057 0.000 2.355 298 S HA -0.016 4.454 4.470 -0.000 0.000 0.222 298 S C -0.040 174.136 174.600 -0.706 0.000 1.031 298 S CA 1.128 59.112 58.200 -0.360 0.000 0.993 298 S CB -0.211 62.703 63.200 -0.476 0.000 0.859 298 S HN 0.348 nan 8.310 nan 0.000 0.453 299 F N 1.468 121.422 119.950 0.007 0.000 2.460 299 F HA 0.612 5.138 4.527 -0.000 0.000 0.341 299 F C -0.099 175.689 175.800 -0.020 0.000 1.130 299 F CA -0.919 57.099 58.000 0.031 0.000 0.962 299 F CB 1.725 40.754 39.000 0.047 0.000 1.171 299 F HN -0.081 nan 8.300 nan 0.000 0.436 300 V N 0.850 120.675 119.914 -0.148 0.000 3.258 300 V HA 0.709 4.829 4.120 -0.000 0.000 0.299 300 V C -2.989 172.632 176.094 -0.789 0.000 1.376 300 V CA -3.031 58.764 62.300 -0.841 0.000 1.063 300 V CB 1.890 33.492 31.823 -0.369 0.000 1.103 300 V HN 0.279 nan 8.190 nan 0.000 0.451 301 P HA 0.150 nan 4.420 nan 0.000 0.264 301 P C -0.581 176.581 177.300 -0.229 0.000 1.179 301 P CA 0.520 63.334 63.100 -0.476 0.000 0.763 301 P CB 0.526 31.898 31.700 -0.547 0.000 0.806 302 V N 4.530 124.395 119.914 -0.082 0.000 2.715 302 V HA 0.260 4.380 4.120 -0.000 0.000 0.310 302 V C -0.327 175.755 176.094 -0.021 0.000 1.054 302 V CA -0.939 61.334 62.300 -0.045 0.000 0.928 302 V CB 2.306 34.130 31.823 0.001 0.000 1.007 302 V HN 0.143 nan 8.190 nan 0.000 0.437 303 V N 6.987 126.889 119.914 -0.020 0.000 2.287 303 V HA 0.171 4.291 4.120 -0.000 0.000 0.246 303 V C 0.683 176.788 176.094 0.019 0.000 1.165 303 V CA 0.295 62.597 62.300 0.004 0.000 1.088 303 V CB 0.038 31.855 31.823 -0.010 0.000 1.242 303 V HN 1.089 nan 8.190 nan 0.000 0.497 304 D N 2.475 122.900 120.400 0.042 0.000 2.271 304 D HA 0.110 4.750 4.640 -0.000 0.000 0.206 304 D C 1.577 177.905 176.300 0.046 0.000 0.967 304 D CA 0.905 54.932 54.000 0.045 0.000 0.867 304 D CB 0.023 40.863 40.800 0.065 0.000 0.960 304 D HN 0.681 nan 8.370 nan 0.000 0.509 305 G N 0.486 109.319 108.800 0.055 0.000 2.165 305 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.226 305 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.226 305 G C 0.031 174.964 174.900 0.054 0.000 1.035 305 G CA 0.532 45.659 45.100 0.045 0.000 0.744 305 G HN 0.547 nan 8.290 nan 0.000 0.501 306 D N -2.126 118.324 120.400 0.084 0.000 2.756 306 D HA 0.294 4.934 4.640 -0.000 0.000 0.148 306 D C 1.583 177.963 176.300 0.132 0.000 1.444 306 D CA 0.270 54.327 54.000 0.095 0.000 1.556 306 D CB -0.564 40.303 40.800 0.113 0.000 1.646 306 D HN 0.080 nan 8.370 nan 0.000 0.205 307 F N 1.240 121.210 119.950 0.034 0.000 2.161 307 F HA 0.203 4.730 4.527 -0.000 0.000 0.300 307 F C 0.141 175.960 175.800 0.032 0.000 1.089 307 F CA 1.217 59.241 58.000 0.041 0.000 1.282 307 F CB 0.162 39.188 39.000 0.044 0.000 1.010 307 F HN 0.006 nan 8.300 nan 0.000 0.485 308 L N 0.272 121.654 121.223 0.266 0.000 2.325 308 L HA 0.243 4.582 4.340 -0.000 0.000 0.281 308 L C 1.217 178.136 176.870 0.083 0.000 1.004 308 L CA -0.385 54.545 54.840 0.150 0.000 0.823 308 L CB 1.714 43.855 42.059 0.137 0.000 1.236 308 L HN -0.105 nan 8.230 nan 0.000 0.415 309 S N 0.163 115.894 115.700 0.050 0.000 2.453 309 S HA 0.023 4.493 4.470 -0.000 0.000 0.231 309 S C 0.354 174.972 174.600 0.029 0.000 1.005 309 S CA 0.303 58.524 58.200 0.034 0.000 0.949 309 S CB 0.028 63.240 63.200 0.020 0.000 0.774 309 S HN 0.762 nan 8.310 nan 0.000 0.510 310 D N -0.081 120.338 120.400 0.032 0.000 2.713 310 D HA 0.217 4.857 4.640 -0.000 0.000 0.306 310 D C -1.238 175.074 176.300 0.019 0.000 1.299 310 D CA -0.341 53.672 54.000 0.022 0.000 0.823 310 D CB 1.249 42.061 40.800 0.019 0.000 1.353 310 D HN 0.060 nan 8.370 nan 0.000 0.447 311 T N 1.633 116.191 114.554 0.005 0.000 2.939 311 T HA 0.120 4.470 4.350 -0.000 0.000 0.319 311 T C -1.581 173.118 174.700 -0.002 0.000 1.082 311 T CA -0.751 61.344 62.100 -0.009 0.000 1.133 311 T CB 0.415 69.271 68.868 -0.019 0.000 1.019 311 T HN 0.261 nan 8.240 nan 0.000 0.548 312 P HA -0.149 nan 4.420 nan 0.000 0.216 312 P C 1.492 178.782 177.300 -0.017 0.000 1.153 312 P CA 1.018 64.105 63.100 -0.022 0.000 0.858 312 P CB 0.191 31.847 31.700 -0.074 0.000 0.789 313 E N 0.004 120.182 120.200 -0.036 0.000 2.021 313 E HA -0.210 4.140 4.350 -0.000 0.000 0.200 313 E C 2.171 178.778 176.600 0.012 0.000 1.015 313 E CA 1.872 58.258 56.400 -0.023 0.000 0.824 313 E CB -1.253 28.429 29.700 -0.031 0.000 0.762 313 E HN 0.072 nan 8.360 nan 0.000 0.454 314 A N 0.375 123.203 122.820 0.013 0.000 1.927 314 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 314 A C 2.336 179.953 177.584 0.056 0.000 1.185 314 A CA 1.817 53.870 52.037 0.028 0.000 0.639 314 A CB -0.859 18.152 19.000 0.019 0.000 0.820 314 A HN 0.328 nan 8.150 nan 0.000 0.451 315 L N -0.442 120.823 121.223 0.070 0.000 2.005 315 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 315 L C 2.601 179.621 176.870 0.250 0.000 1.072 315 L CA 1.786 56.704 54.840 0.130 0.000 0.744 315 L CB -0.737 41.400 42.059 0.130 0.000 0.895 315 L HN 0.669 nan 8.230 nan 0.000 0.433 316 I N -2.329 118.360 120.570 0.199 0.000 2.916 316 I HA -0.197 3.973 4.170 -0.000 0.000 0.267 316 I C 2.171 178.446 176.117 0.264 0.000 1.263 316 I CA 1.463 62.906 61.300 0.238 0.000 1.471 316 I CB -0.675 37.319 38.000 -0.010 0.000 1.089 316 I HN 0.381 nan 8.210 nan 0.000 0.468 317 N N 1.854 120.648 118.700 0.157 0.000 2.250 317 N HA -0.152 4.588 4.740 -0.000 0.000 0.181 317 N C 1.609 177.184 175.510 0.108 0.000 1.017 317 N CA 1.875 54.992 53.050 0.112 0.000 0.866 317 N CB 0.066 38.591 38.487 0.063 0.000 0.985 317 N HN 0.551 nan 8.380 nan 0.000 0.429 318 T N -2.974 111.631 114.554 0.085 0.000 3.145 318 T HA 0.369 4.719 4.350 -0.000 0.000 0.281 318 T C 0.721 175.370 174.700 -0.086 0.000 1.003 318 T CA -0.428 61.680 62.100 0.013 0.000 0.901 318 T CB 0.223 69.091 68.868 -0.000 0.000 1.112 318 T HN 0.158 nan 8.240 nan 0.000 0.535 319 G N 0.538 109.257 108.800 -0.136 0.000 2.569 319 G HA2 0.367 4.327 3.960 -0.000 0.000 0.249 319 G HA3 0.367 4.327 3.960 -0.000 0.000 0.249 319 G C -0.880 173.405 174.900 -1.025 0.000 1.216 319 G CA -0.410 44.313 45.100 -0.628 0.000 0.845 319 G HN 0.329 nan 8.290 nan 0.000 0.568 320 D N 0.844 120.706 120.400 -0.896 0.000 2.443 320 D HA 0.243 4.883 4.640 -0.000 0.000 0.221 320 D C -0.490 175.418 176.300 -0.653 0.000 1.097 320 D CA -0.463 53.188 54.000 -0.582 0.000 0.865 320 D CB 0.547 41.183 40.800 -0.274 0.000 1.034 320 D HN 0.124 nan 8.370 nan 0.000 0.511 321 F N 1.636 121.604 119.950 0.030 0.000 2.850 321 F HA 0.191 4.717 4.527 -0.000 0.000 0.306 321 F C 1.510 177.335 175.800 0.040 0.000 1.162 321 F CA -0.552 57.471 58.000 0.039 0.000 1.327 321 F CB 0.037 39.069 39.000 0.053 0.000 0.953 321 F HN 0.281 nan 8.300 nan 0.000 0.507 322 Q N 2.987 122.841 119.800 0.090 0.000 3.107 322 Q HA 0.033 4.373 4.340 -0.000 0.000 0.268 322 Q C 0.081 176.122 176.000 0.068 0.000 1.382 322 Q CA 0.839 56.687 55.803 0.074 0.000 0.927 322 Q CB -0.372 28.381 28.738 0.024 0.000 1.755 322 Q HN 0.764 nan 8.270 nan 0.000 0.545 323 D N 0.175 120.632 120.400 0.095 0.000 3.877 323 D HA -0.148 4.492 4.640 -0.000 0.000 0.447 323 D C 0.084 176.441 176.300 0.096 0.000 0.389 323 D CA -0.340 53.704 54.000 0.074 0.000 0.865 323 D CB -1.065 39.760 40.800 0.042 0.000 1.491 323 D HN 0.353 nan 8.370 nan 0.000 0.192 324 L N 1.667 122.968 121.223 0.130 0.000 2.601 324 L HA 0.066 4.406 4.340 -0.000 0.000 0.277 324 L C -0.123 176.859 176.870 0.186 0.000 1.219 324 L CA 0.917 55.848 54.840 0.151 0.000 0.915 324 L CB 0.503 42.684 42.059 0.204 0.000 1.160 324 L HN 0.122 nan 8.230 nan 0.000 0.494 325 Q N 2.843 122.769 119.800 0.210 0.000 2.241 325 Q HA 0.572 4.912 4.340 -0.000 0.000 0.254 325 Q C -1.224 175.086 176.000 0.516 0.000 0.917 325 Q CA -0.284 55.727 55.803 0.346 0.000 0.919 325 Q CB 2.347 31.241 28.738 0.259 0.000 1.237 325 Q HN 0.412 nan 8.270 nan 0.000 0.434 326 V N 3.299 123.464 119.914 0.418 0.000 2.668 326 V HA 0.352 4.472 4.120 -0.000 0.000 0.304 326 V C -1.060 174.934 176.094 -0.166 0.000 1.071 326 V CA -0.777 61.637 62.300 0.191 0.000 0.894 326 V CB 1.844 33.732 31.823 0.108 0.000 1.008 326 V HN 0.686 nan 8.190 nan 0.000 0.425 327 L N 5.485 126.348 121.223 -0.600 0.000 2.325 327 L HA 0.878 5.218 4.340 -0.000 0.000 0.279 327 L C -1.130 175.656 176.870 -0.141 0.000 1.054 327 L CA -0.247 54.231 54.840 -0.604 0.000 0.804 327 L CB 1.730 43.045 42.059 -1.239 0.000 1.200 327 L HN 0.522 nan 8.230 nan 0.000 0.436 328 V N 3.343 123.272 119.914 0.025 0.000 3.049 328 V HA 0.929 5.049 4.120 -0.000 0.000 0.309 328 V C 0.108 176.083 176.094 -0.199 0.000 1.148 328 V CA -0.131 62.164 62.300 -0.009 0.000 0.990 328 V CB 1.868 33.633 31.823 -0.098 0.000 1.039 328 V HN 1.013 nan 8.190 nan 0.000 0.430 329 G N 0.928 109.406 108.800 -0.536 0.000 2.490 329 G HA2 0.712 4.672 3.960 -0.000 0.000 0.308 329 G HA3 0.712 4.672 3.960 -0.000 0.000 0.308 329 G C -2.013 172.442 174.900 -0.742 0.000 1.286 329 G CA -0.211 43.962 45.100 -1.546 0.000 0.825 329 G HN 0.848 nan 8.290 nan 0.000 0.479 330 V N -1.112 118.471 119.914 -0.552 0.000 3.264 330 V HA 0.645 4.765 4.120 -0.000 0.000 0.294 330 V C -0.273 175.939 176.094 0.195 0.000 1.429 330 V CA -0.227 62.041 62.300 -0.053 0.000 1.053 330 V CB 1.989 33.749 31.823 -0.105 0.000 1.128 330 V HN 1.412 nan 8.190 nan 0.000 0.452 331 V N -0.019 120.039 119.914 0.240 0.000 3.193 331 V HA 0.593 4.713 4.120 -0.000 0.000 0.320 331 V C 1.172 177.425 176.094 0.265 0.000 1.112 331 V CA -0.350 62.150 62.300 0.334 0.000 1.026 331 V CB 1.329 33.340 31.823 0.313 0.000 1.128 331 V HN 0.829 nan 8.190 nan 0.000 0.452 332 K N 0.167 120.741 120.400 0.290 0.000 2.001 332 K HA -0.147 4.173 4.320 -0.000 0.000 0.214 332 K C 0.055 176.772 176.600 0.196 0.000 1.050 332 K CA 2.454 58.874 56.287 0.221 0.000 0.934 332 K CB -0.144 32.483 32.500 0.212 0.000 0.718 332 K HN 0.978 nan 8.250 nan 0.000 0.443 333 D N 0.696 121.219 120.400 0.205 0.000 2.634 333 D HA 0.070 4.710 4.640 -0.000 0.000 0.318 333 D C 0.348 176.777 176.300 0.214 0.000 1.226 333 D CA -0.201 53.915 54.000 0.194 0.000 0.899 333 D CB 1.194 42.106 40.800 0.187 0.000 1.025 333 D HN 0.049 nan 8.370 nan 0.000 0.501 334 E N 1.113 121.446 120.200 0.222 0.000 2.055 334 E HA -0.241 4.109 4.350 -0.000 0.000 0.209 334 E C 2.270 179.057 176.600 0.312 0.000 1.036 334 E CA 1.666 58.236 56.400 0.284 0.000 0.849 334 E CB -0.604 29.216 29.700 0.201 0.000 0.767 334 E HN 0.529 nan 8.360 nan 0.000 0.461 335 G N 1.431 110.347 108.800 0.193 0.000 2.485 335 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.221 335 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.221 335 G C 1.772 176.853 174.900 0.301 0.000 1.115 335 G CA 1.784 47.007 45.100 0.205 0.000 0.751 335 G HN 0.381 nan 8.290 nan 0.000 0.567 336 S N 0.404 116.258 115.700 0.258 0.000 2.377 336 S HA -0.340 4.130 4.470 -0.000 0.000 0.224 336 S C 2.062 176.737 174.600 0.126 0.000 1.042 336 S CA 1.554 59.892 58.200 0.229 0.000 1.086 336 S CB -0.998 62.273 63.200 0.118 0.000 0.995 336 S HN 0.502 nan 8.310 nan 0.000 0.428 337 Y N 2.576 122.775 120.300 -0.168 0.000 2.030 337 Y HA -0.288 4.261 4.550 -0.000 0.000 0.272 337 Y C 1.974 177.719 175.900 -0.257 0.000 1.185 337 Y CA 1.917 59.745 58.100 -0.454 0.000 1.120 337 Y CB -0.951 37.151 38.460 -0.596 0.000 0.955 337 Y HN 0.230 nan 8.280 nan 0.000 0.495 338 F N -0.145 119.817 119.950 0.020 0.000 2.373 338 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 338 F C 2.046 177.822 175.800 -0.040 0.000 1.080 338 F CA 1.018 58.977 58.000 -0.068 0.000 1.417 338 F CB -0.719 38.241 39.000 -0.068 0.000 1.070 338 F HN 0.109 nan 8.300 nan 0.000 0.546 339 L N -0.319 120.963 121.223 0.099 0.000 2.156 339 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 339 L C 2.552 179.447 176.870 0.041 0.000 1.095 339 L CA 0.896 55.677 54.840 -0.098 0.000 0.770 339 L CB -0.908 40.861 42.059 -0.483 0.000 0.914 339 L HN 0.177 nan 8.230 nan 0.000 0.439 340 V N -3.507 116.502 119.914 0.159 0.000 2.490 340 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 340 V C 1.470 177.545 176.094 -0.032 0.000 1.061 340 V CA 1.213 63.611 62.300 0.163 0.000 1.064 340 V CB -1.264 30.666 31.823 0.179 0.000 0.670 340 V HN 0.296 nan 8.190 nan 0.000 0.461 341 Y N 2.492 122.735 120.300 -0.095 0.000 2.871 341 Y HA 0.558 5.108 4.550 -0.000 0.000 0.378 341 Y C 1.597 177.427 175.900 -0.116 0.000 1.069 341 Y CA 0.383 58.394 58.100 -0.148 0.000 1.662 341 Y CB -0.179 38.142 38.460 -0.232 0.000 1.561 341 Y HN 0.485 nan 8.280 nan 0.000 0.483 342 G N -1.439 107.374 108.800 0.021 0.000 2.559 342 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.202 342 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.202 342 G C -0.737 174.181 174.900 0.030 0.000 0.992 342 G CA -0.460 44.644 45.100 0.008 0.000 0.764 342 G HN 0.044 nan 8.290 nan 0.000 0.525 343 V N 3.026 122.983 119.914 0.071 0.000 2.311 343 V HA 0.435 4.555 4.120 -0.000 0.000 0.275 343 V C -1.953 174.316 176.094 0.293 0.000 1.022 343 V CA -1.839 60.537 62.300 0.127 0.000 0.830 343 V CB 1.429 33.250 31.823 -0.004 0.000 1.012 343 V HN 0.113 nan 8.190 nan 0.000 0.452 344 P HA 0.145 nan 4.420 nan 0.000 0.261 344 P C 1.064 178.433 177.300 0.115 0.000 1.173 344 P CA 1.467 64.639 63.100 0.120 0.000 0.760 344 P CB 0.533 32.270 31.700 0.062 0.000 0.783 345 G N 1.751 110.562 108.800 0.018 0.000 2.259 345 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 345 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 345 G C -0.170 174.542 174.900 -0.313 0.000 1.001 345 G CA -0.580 44.403 45.100 -0.195 0.000 0.627 345 G HN 0.414 nan 8.290 nan 0.000 0.501 346 F N 1.775 121.726 119.950 0.002 0.000 2.399 346 F HA 0.744 5.271 4.527 -0.000 0.000 0.334 346 F C 0.724 176.615 175.800 0.151 0.000 1.097 346 F CA 0.076 58.103 58.000 0.046 0.000 1.076 346 F CB 2.160 41.215 39.000 0.092 0.000 1.162 346 F HN 0.331 nan 8.300 nan 0.000 0.495 347 S N 1.377 117.336 115.700 0.431 0.000 2.565 347 S HA 0.303 4.773 4.470 -0.000 0.000 0.269 347 S C -0.025 174.876 174.600 0.502 0.000 1.153 347 S CA -0.869 57.570 58.200 0.399 0.000 0.835 347 S CB 1.688 65.027 63.200 0.233 0.000 1.122 347 S HN 0.775 nan 8.310 nan 0.000 0.462 348 K N 0.577 121.139 120.400 0.270 0.000 2.418 348 K HA 0.155 4.475 4.320 -0.000 0.000 0.195 348 K C 0.109 176.693 176.600 -0.026 0.000 1.035 348 K CA 0.831 57.142 56.287 0.041 0.000 1.003 348 K CB -0.146 32.126 32.500 -0.381 0.000 0.793 348 K HN 0.484 nan 8.250 nan 0.000 0.494 349 D N 1.120 121.522 120.400 0.004 0.000 2.333 349 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 349 D C -0.037 176.303 176.300 0.067 0.000 0.984 349 D CA 0.489 54.478 54.000 -0.017 0.000 0.873 349 D CB 0.068 40.838 40.800 -0.051 0.000 0.935 349 D HN 0.467 nan 8.370 nan 0.000 0.521 350 N N -0.772 118.017 118.700 0.148 0.000 2.701 350 N HA 0.134 4.874 4.740 -0.000 0.000 0.290 350 N C 0.328 175.962 175.510 0.207 0.000 1.338 350 N CA -0.613 52.509 53.050 0.120 0.000 0.799 350 N CB 0.740 39.251 38.487 0.041 0.000 1.491 350 N HN -0.313 nan 8.380 nan 0.000 0.540 351 E N -0.433 119.814 120.200 0.079 0.000 2.511 351 E HA 0.002 4.352 4.350 -0.000 0.000 0.196 351 E C -0.516 175.824 176.600 -0.434 0.000 1.066 351 E CA 0.357 56.749 56.400 -0.014 0.000 0.871 351 E CB -0.358 29.337 29.700 -0.008 0.000 0.863 351 E HN 0.615 nan 8.360 nan 0.000 0.520 352 S N 0.842 116.320 115.700 -0.370 0.000 3.550 352 S HA -0.174 4.296 4.470 -0.000 0.000 0.372 352 S C 0.052 174.275 174.600 -0.628 0.000 0.966 352 S CA 0.096 57.938 58.200 -0.595 0.000 1.229 352 S CB -1.114 61.569 63.200 -0.862 0.000 0.917 352 S HN 0.159 nan 8.310 nan 0.000 0.496 353 L N 2.081 123.076 121.223 -0.380 0.000 2.401 353 L HA 0.416 4.756 4.340 -0.000 0.000 0.283 353 L C 0.845 177.541 176.870 -0.289 0.000 1.151 353 L CA -0.291 54.375 54.840 -0.289 0.000 0.942 353 L CB -0.911 41.043 42.059 -0.174 0.000 1.283 353 L HN 0.636 nan 8.230 nan 0.000 0.442 354 I N -0.329 120.020 120.570 -0.368 0.000 2.945 354 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 354 I C 1.020 177.053 176.117 -0.140 0.000 1.093 354 I CA -0.254 60.866 61.300 -0.301 0.000 1.336 354 I CB 0.991 38.748 38.000 -0.404 0.000 1.435 354 I HN 0.557 nan 8.210 nan 0.000 0.593 355 S N 3.907 119.555 115.700 -0.087 0.000 2.634 355 S HA 0.296 4.766 4.470 -0.000 0.000 0.261 355 S C 1.068 175.679 174.600 0.018 0.000 1.271 355 S CA -0.367 57.812 58.200 -0.035 0.000 0.985 355 S CB 1.310 64.497 63.200 -0.020 0.000 0.968 355 S HN 0.869 nan 8.310 nan 0.000 0.568 356 R N 0.398 120.911 120.500 0.022 0.000 2.057 356 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 356 R C 2.607 178.994 176.300 0.145 0.000 1.136 356 R CA 1.349 57.487 56.100 0.063 0.000 0.952 356 R CB -1.165 29.145 30.300 0.017 0.000 0.848 356 R HN 0.859 nan 8.270 nan 0.000 0.430 357 A N 1.025 123.899 122.820 0.090 0.000 1.948 357 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 357 A C 2.050 179.689 177.584 0.092 0.000 1.177 357 A CA 1.639 53.727 52.037 0.086 0.000 0.636 357 A CB -0.532 18.498 19.000 0.050 0.000 0.815 357 A HN 0.478 nan 8.150 nan 0.000 0.449 358 Q N -1.871 117.980 119.800 0.085 0.000 1.993 358 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 358 Q C 1.986 178.071 176.000 0.142 0.000 0.984 358 Q CA 1.707 57.560 55.803 0.084 0.000 0.837 358 Q CB -0.377 28.381 28.738 0.033 0.000 0.902 358 Q HN 0.762 nan 8.270 nan 0.000 0.423 359 F N 1.282 121.260 119.950 0.047 0.000 2.120 359 F HA -0.279 4.248 4.527 -0.000 0.000 0.300 359 F C 1.716 177.550 175.800 0.058 0.000 1.095 359 F CA 1.040 59.084 58.000 0.073 0.000 1.249 359 F CB -0.110 38.919 39.000 0.048 0.000 0.995 359 F HN 0.035 nan 8.300 nan 0.000 0.480 360 L N 0.535 121.867 121.223 0.181 0.000 2.079 360 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 360 L C 2.768 179.603 176.870 -0.059 0.000 1.081 360 L CA 1.914 56.786 54.840 0.054 0.000 0.752 360 L CB -2.331 39.801 42.059 0.123 0.000 0.896 360 L HN 0.348 nan 8.230 nan 0.000 0.433 361 A N -0.528 122.279 122.820 -0.021 0.000 1.929 361 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 361 A C 2.461 180.005 177.584 -0.068 0.000 1.176 361 A CA 1.309 53.331 52.037 -0.026 0.000 0.628 361 A CB -1.085 17.921 19.000 0.010 0.000 0.816 361 A HN 0.410 nan 8.150 nan 0.000 0.444 362 G N -0.053 108.693 108.800 -0.090 0.000 2.491 362 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 362 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 362 G C 1.527 176.307 174.900 -0.201 0.000 1.180 362 G CA 1.440 46.468 45.100 -0.119 0.000 0.774 362 G HN 0.324 nan 8.290 nan 0.000 0.562 363 V N 1.402 121.113 119.914 -0.338 0.000 2.370 363 V HA -0.231 3.889 4.120 -0.000 0.000 0.252 363 V C 2.977 178.987 176.094 -0.140 0.000 1.068 363 V CA 2.188 64.318 62.300 -0.283 0.000 1.061 363 V CB -0.413 31.214 31.823 -0.327 0.000 0.656 363 V HN 0.367 nan 8.190 nan 0.000 0.455 364 R N -0.619 119.820 120.500 -0.102 0.000 2.153 364 R HA 0.103 4.442 4.340 -0.000 0.000 0.218 364 R C 2.073 178.341 176.300 -0.054 0.000 1.072 364 R CA 1.073 57.138 56.100 -0.059 0.000 0.990 364 R CB -0.523 29.755 30.300 -0.036 0.000 0.889 364 R HN 0.455 nan 8.270 nan 0.000 0.452 365 I N 0.433 120.966 120.570 -0.062 0.000 2.277 365 I HA -0.089 4.081 4.170 -0.000 0.000 0.243 365 I C 2.388 178.468 176.117 -0.061 0.000 1.094 365 I CA 1.392 62.661 61.300 -0.053 0.000 1.393 365 I CB -0.566 37.405 38.000 -0.048 0.000 1.078 365 I HN 0.199 nan 8.210 nan 0.000 0.417 366 G N 0.221 108.971 108.800 -0.084 0.000 2.470 366 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.220 366 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.220 366 G C 0.807 175.676 174.900 -0.052 0.000 1.121 366 G CA 0.578 45.626 45.100 -0.086 0.000 0.766 366 G HN 0.283 nan 8.290 nan 0.000 0.553 367 V N 1.463 121.345 119.914 -0.054 0.000 2.502 367 V HA 0.200 4.320 4.120 -0.000 0.000 0.261 367 V C -1.469 174.607 176.094 -0.029 0.000 0.996 367 V CA -0.980 61.288 62.300 -0.054 0.000 1.095 367 V CB 1.580 33.351 31.823 -0.087 0.000 1.325 367 V HN 0.045 nan 8.190 nan 0.000 0.574 368 P HA -0.212 nan 4.420 nan 0.000 0.219 368 P C 1.332 178.626 177.300 -0.010 0.000 1.146 368 P CA 1.279 64.369 63.100 -0.016 0.000 0.808 368 P CB 0.391 32.081 31.700 -0.017 0.000 0.779 369 Q N -0.164 119.637 119.800 0.002 0.000 2.451 369 Q HA 0.115 4.455 4.340 -0.000 0.000 0.206 369 Q C 0.744 176.735 176.000 -0.015 0.000 0.947 369 Q CA 0.213 56.015 55.803 -0.002 0.000 0.937 369 Q CB -0.604 28.142 28.738 0.014 0.000 1.025 369 Q HN 0.045 nan 8.270 nan 0.000 0.511 370 A N 2.317 125.124 122.820 -0.022 0.000 2.450 370 A HA 0.363 4.683 4.320 -0.000 0.000 0.255 370 A C 0.581 178.150 177.584 -0.025 0.000 1.096 370 A CA 0.135 52.153 52.037 -0.033 0.000 0.778 370 A CB 0.298 19.276 19.000 -0.037 0.000 1.031 370 A HN 0.530 nan 8.150 nan 0.000 0.494 371 S N 1.922 117.605 115.700 -0.029 0.000 2.634 371 S HA 0.074 4.544 4.470 -0.000 0.000 0.254 371 S C 0.544 175.140 174.600 -0.008 0.000 1.299 371 S CA 0.289 58.478 58.200 -0.018 0.000 0.974 371 S CB 0.317 63.504 63.200 -0.023 0.000 1.001 371 S HN 0.658 nan 8.310 nan 0.000 0.584 372 D N 0.047 120.448 120.400 0.002 0.000 2.084 372 D HA -0.086 4.554 4.640 -0.000 0.000 0.196 372 D C 1.956 178.272 176.300 0.026 0.000 0.985 372 D CA 0.943 54.952 54.000 0.015 0.000 0.826 372 D CB -0.481 40.331 40.800 0.019 0.000 0.978 372 D HN 0.358 nan 8.370 nan 0.000 0.456 373 L N 1.503 122.739 121.223 0.021 0.000 2.021 373 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 373 L C 2.327 179.219 176.870 0.036 0.000 1.074 373 L CA 1.900 56.760 54.840 0.033 0.000 0.760 373 L CB -1.036 41.036 42.059 0.022 0.000 0.889 373 L HN -0.024 nan 8.230 nan 0.000 0.433 374 A N -1.046 121.772 122.820 -0.003 0.000 1.902 374 A HA -0.132 4.187 4.320 -0.000 0.000 0.217 374 A C 2.449 180.048 177.584 0.025 0.000 1.181 374 A CA 1.970 53.992 52.037 -0.025 0.000 0.623 374 A CB -1.110 17.838 19.000 -0.086 0.000 0.818 374 A HN 0.562 nan 8.150 nan 0.000 0.443 375 A N -0.398 122.437 122.820 0.025 0.000 1.883 375 A HA -0.209 4.110 4.320 -0.000 0.000 0.217 375 A C 1.930 179.574 177.584 0.100 0.000 1.186 375 A CA 2.097 54.161 52.037 0.045 0.000 0.624 375 A CB -0.607 18.409 19.000 0.027 0.000 0.822 375 A HN 0.580 nan 8.150 nan 0.000 0.444 376 E N -0.300 119.962 120.200 0.104 0.000 2.049 376 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 376 E C 2.235 178.946 176.600 0.185 0.000 1.007 376 E CA 1.650 58.136 56.400 0.143 0.000 0.809 376 E CB -0.395 29.374 29.700 0.116 0.000 0.749 376 E HN 0.562 nan 8.360 nan 0.000 0.450 377 A N 0.042 122.973 122.820 0.184 0.000 1.884 377 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 377 A C 2.476 180.208 177.584 0.246 0.000 1.197 377 A CA 2.116 54.303 52.037 0.249 0.000 0.637 377 A CB -1.063 18.155 19.000 0.364 0.000 0.827 377 A HN 0.209 nan 8.150 nan 0.000 0.450 378 V N -0.367 119.726 119.914 0.298 0.000 2.332 378 V HA -0.245 3.874 4.120 -0.000 0.000 0.248 378 V C 2.538 178.863 176.094 0.385 0.000 1.055 378 V CA 1.985 64.486 62.300 0.334 0.000 1.038 378 V CB -0.950 31.003 31.823 0.217 0.000 0.651 378 V HN 0.388 nan 8.190 nan 0.000 0.450 379 V N -0.249 119.855 119.914 0.317 0.000 2.407 379 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 379 V C 2.316 178.642 176.094 0.387 0.000 1.055 379 V CA 1.892 64.433 62.300 0.401 0.000 1.049 379 V CB -0.557 31.479 31.823 0.355 0.000 0.662 379 V HN 0.501 nan 8.190 nan 0.000 0.455 380 L N -0.216 121.235 121.223 0.381 0.000 1.989 380 L HA -0.293 4.047 4.340 -0.000 0.000 0.211 380 L C 2.575 179.642 176.870 0.330 0.000 1.071 380 L CA 2.681 57.808 54.840 0.479 0.000 0.749 380 L CB -0.590 41.616 42.059 0.246 0.000 0.890 380 L HN 0.454 nan 8.230 nan 0.000 0.431 381 H N -1.373 117.697 119.070 0.001 0.000 2.353 381 H HA -0.221 4.335 4.556 -0.000 0.000 0.300 381 H C 1.613 176.852 175.328 -0.149 0.000 1.090 381 H CA 2.470 58.369 56.048 -0.248 0.000 1.327 381 H CB -0.066 29.217 29.762 -0.798 0.000 1.383 381 H HN 0.445 nan 8.280 nan 0.000 0.508 382 Y N -0.676 119.738 120.300 0.189 0.000 2.462 382 Y HA 0.149 4.699 4.550 -0.000 0.000 0.261 382 Y C 0.802 176.714 175.900 0.020 0.000 1.146 382 Y CA 0.040 58.260 58.100 0.200 0.000 1.283 382 Y CB 0.452 39.152 38.460 0.401 0.000 1.090 382 Y HN 0.006 nan 8.280 nan 0.000 0.526 383 T N 1.217 115.721 114.554 -0.083 0.000 2.919 383 T HA -0.010 4.339 4.350 -0.000 0.000 0.302 383 T C -0.340 173.940 174.700 -0.699 0.000 1.031 383 T CA -0.218 61.527 62.100 -0.593 0.000 1.127 383 T CB 0.432 68.520 68.868 -1.300 0.000 0.952 383 T HN 0.095 nan 8.240 nan 0.000 0.540 384 D N 1.766 121.759 120.400 -0.678 0.000 2.428 384 D HA 0.159 4.799 4.640 -0.000 0.000 0.221 384 D C 0.143 176.152 176.300 -0.484 0.000 1.123 384 D CA -0.853 52.798 54.000 -0.581 0.000 0.869 384 D CB 0.187 40.532 40.800 -0.758 0.000 1.032 384 D HN 0.590 nan 8.370 nan 0.000 0.506 385 W N 3.067 124.272 121.300 -0.158 0.000 2.632 385 W HA -0.019 4.641 4.660 -0.000 0.000 0.248 385 W C 1.798 178.207 176.519 -0.183 0.000 1.259 385 W CA -0.265 56.996 57.345 -0.140 0.000 1.288 385 W CB 0.037 29.429 29.460 -0.113 0.000 1.136 385 W HN 0.430 nan 8.180 nan 0.000 0.640 386 L N -0.403 120.749 121.223 -0.119 0.000 2.375 386 L HA 0.031 4.371 4.340 -0.000 0.000 0.215 386 L C -0.217 176.270 176.870 -0.638 0.000 1.108 386 L CA 1.394 56.018 54.840 -0.360 0.000 0.830 386 L CB -0.189 41.615 42.059 -0.425 0.000 0.959 386 L HN 0.063 nan 8.230 nan 0.000 0.457 387 H N -0.580 118.407 119.070 -0.139 0.000 2.514 387 H HA 0.201 4.757 4.556 -0.000 0.000 0.226 387 H C -1.934 173.265 175.328 -0.215 0.000 1.421 387 H CA -0.984 54.976 56.048 -0.148 0.000 1.394 387 H CB 0.366 30.037 29.762 -0.152 0.000 1.701 387 H HN 0.010 nan 8.280 nan 0.000 0.515 388 P HA -0.089 nan 4.420 nan 0.000 0.244 388 P C 0.159 177.347 177.300 -0.185 0.000 1.211 388 P CA 0.901 63.845 63.100 -0.261 0.000 0.760 388 P CB 0.567 32.135 31.700 -0.221 0.000 0.961 389 E N -0.993 119.148 120.200 -0.098 0.000 2.676 389 E HA 0.043 4.393 4.350 -0.000 0.000 0.225 389 E C -0.072 176.494 176.600 -0.057 0.000 0.944 389 E CA -0.186 56.171 56.400 -0.072 0.000 1.156 389 E CB -0.036 29.643 29.700 -0.036 0.000 1.117 389 E HN 0.163 nan 8.360 nan 0.000 0.523 390 D N 4.113 124.486 120.400 -0.044 0.000 2.412 390 D HA -0.019 4.620 4.640 -0.000 0.000 0.257 390 D C -1.064 175.209 176.300 -0.046 0.000 1.217 390 D CA -1.416 52.558 54.000 -0.042 0.000 0.897 390 D CB 1.231 41.996 40.800 -0.058 0.000 1.132 390 D HN -0.125 nan 8.370 nan 0.000 0.493 391 P HA -0.183 nan 4.420 nan 0.000 0.214 391 P C 1.291 178.543 177.300 -0.080 0.000 1.163 391 P CA 1.277 64.328 63.100 -0.082 0.000 0.883 391 P CB -0.016 31.627 31.700 -0.095 0.000 0.788 392 T N -1.127 113.389 114.554 -0.062 0.000 2.699 392 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 392 T C 1.838 176.525 174.700 -0.022 0.000 1.036 392 T CA 2.036 64.108 62.100 -0.047 0.000 1.147 392 T CB -1.057 67.797 68.868 -0.023 0.000 0.862 392 T HN 0.340 nan 8.240 nan 0.000 0.446 393 H N 0.587 119.610 119.070 -0.079 0.000 2.299 393 H HA 0.105 4.661 4.556 -0.000 0.000 0.302 393 H C 2.130 177.413 175.328 -0.074 0.000 1.078 393 H CA 1.259 57.265 56.048 -0.069 0.000 1.323 393 H CB -0.469 29.232 29.762 -0.102 0.000 1.381 393 H HN 0.208 nan 8.280 nan 0.000 0.498 394 L N 0.270 121.457 121.223 -0.061 0.000 1.997 394 L HA -0.308 4.032 4.340 -0.000 0.000 0.216 394 L C 2.896 179.805 176.870 0.065 0.000 1.074 394 L CA 1.895 56.644 54.840 -0.151 0.000 0.763 394 L CB -0.581 41.405 42.059 -0.122 0.000 0.890 394 L HN 0.355 nan 8.230 nan 0.000 0.434 395 R N 0.431 120.943 120.500 0.021 0.000 2.122 395 R HA -0.232 4.108 4.340 -0.000 0.000 0.236 395 R C 1.880 178.267 176.300 0.144 0.000 1.129 395 R CA 2.585 58.734 56.100 0.081 0.000 0.925 395 R CB -0.617 29.610 30.300 -0.121 0.000 0.850 395 R HN 0.384 nan 8.270 nan 0.000 0.431 396 D N 0.143 120.560 120.400 0.029 0.000 2.221 396 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 396 D C 1.696 178.028 176.300 0.053 0.000 0.982 396 D CA 1.330 55.359 54.000 0.049 0.000 0.857 396 D CB -0.278 40.516 40.800 -0.010 0.000 0.934 396 D HN 0.432 nan 8.370 nan 0.000 0.475 397 A N 0.772 123.591 122.820 -0.002 0.000 1.877 397 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 397 A C 2.120 179.861 177.584 0.261 0.000 1.186 397 A CA 1.252 53.389 52.037 0.167 0.000 0.620 397 A CB -0.424 18.666 19.000 0.150 0.000 0.822 397 A HN 0.054 nan 8.150 nan 0.000 0.443 398 M N 0.301 120.104 119.600 0.338 0.000 2.073 398 M HA -0.142 4.338 4.480 -0.000 0.000 0.258 398 M C 2.475 178.775 176.300 0.000 0.000 1.070 398 M CA 2.141 57.520 55.300 0.131 0.000 1.103 398 M CB -1.286 31.428 32.600 0.189 0.000 1.321 398 M HN 0.524 nan 8.290 nan 0.000 0.405 399 S N -0.232 115.508 115.700 0.067 0.000 2.383 399 S HA -0.131 4.339 4.470 -0.000 0.000 0.229 399 S C 1.974 176.619 174.600 0.076 0.000 1.030 399 S CA 1.783 60.033 58.200 0.084 0.000 1.002 399 S CB -0.304 63.017 63.200 0.202 0.000 0.829 399 S HN 0.530 nan 8.310 nan 0.000 0.467 400 A N 0.727 123.614 122.820 0.112 0.000 1.897 400 A HA 0.075 4.394 4.320 -0.000 0.000 0.215 400 A C 2.358 179.961 177.584 0.030 0.000 1.181 400 A CA 1.531 53.671 52.037 0.172 0.000 0.620 400 A CB -1.006 18.233 19.000 0.399 0.000 0.821 400 A HN 0.464 nan 8.150 nan 0.000 0.443 401 V N -0.126 119.638 119.914 -0.250 0.000 2.282 401 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 401 V C 2.579 178.548 176.094 -0.208 0.000 1.057 401 V CA 2.196 64.274 62.300 -0.370 0.000 1.032 401 V CB -0.980 30.606 31.823 -0.395 0.000 0.645 401 V HN 0.377 nan 8.190 nan 0.000 0.447 402 V N 0.881 120.688 119.914 -0.179 0.000 2.261 402 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 402 V C 2.674 178.593 176.094 -0.293 0.000 1.047 402 V CA 2.298 64.468 62.300 -0.217 0.000 1.015 402 V CB -1.524 30.210 31.823 -0.148 0.000 0.642 402 V HN 0.603 nan 8.190 nan 0.000 0.446 403 G N -0.319 108.388 108.800 -0.156 0.000 2.422 403 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 403 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 403 G C 1.219 176.006 174.900 -0.189 0.000 1.146 403 G CA 1.061 46.081 45.100 -0.133 0.000 0.769 403 G HN 0.526 nan 8.290 nan 0.000 0.547 404 D N -0.388 119.923 120.400 -0.149 0.000 2.123 404 D HA -0.049 4.591 4.640 -0.000 0.000 0.200 404 D C 2.085 178.036 176.300 -0.580 0.000 0.976 404 D CA 1.014 54.896 54.000 -0.198 0.000 0.831 404 D CB -0.420 40.431 40.800 0.085 0.000 0.974 404 D HN 0.366 nan 8.370 nan 0.000 0.469 405 H N 1.147 119.623 119.070 -0.990 0.000 2.353 405 H HA 0.014 4.569 4.556 -0.000 0.000 0.300 405 H C 1.497 176.353 175.328 -0.785 0.000 1.090 405 H CA 1.606 56.858 56.048 -1.328 0.000 1.327 405 H CB 0.105 29.073 29.762 -1.323 0.000 1.383 405 H HN 0.005 nan 8.280 nan 0.000 0.508 406 N N -0.869 117.317 118.700 -0.855 0.000 2.439 406 N HA -0.004 4.736 4.740 -0.000 0.000 0.176 406 N C 1.582 176.795 175.510 -0.496 0.000 1.029 406 N CA 1.161 53.675 53.050 -0.893 0.000 0.886 406 N CB 0.797 38.170 38.487 -1.857 0.000 1.057 406 N HN 0.253 nan 8.380 nan 0.000 0.437 407 V N 0.209 119.876 119.914 -0.412 0.000 2.870 407 V HA 0.052 4.172 4.120 -0.000 0.000 0.232 407 V C 2.356 178.369 176.094 -0.135 0.000 1.161 407 V CA 0.328 62.535 62.300 -0.154 0.000 1.204 407 V CB -0.450 31.355 31.823 -0.030 0.000 1.003 407 V HN -0.143 nan 8.190 nan 0.000 0.499 408 V N 0.399 120.233 119.914 -0.132 0.000 2.220 408 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 408 V C 2.615 178.639 176.094 -0.118 0.000 1.049 408 V CA 2.641 64.877 62.300 -0.105 0.000 1.003 408 V CB -1.087 30.704 31.823 -0.054 0.000 0.634 408 V HN 0.665 nan 8.190 nan 0.000 0.444 409 c N 0.149 118.671 118.600 -0.131 0.000 2.413 409 c HA -0.064 4.506 4.570 -0.000 0.000 0.276 409 c C 0.626 174.652 174.090 -0.107 0.000 1.248 409 c CA 1.294 57.577 56.329 -0.078 0.000 1.742 409 c CB -2.219 40.280 42.510 -0.018 0.000 2.017 409 c HN 0.497 nan 8.230 nan 0.000 0.481 410 P HA -0.058 nan 4.420 nan 0.000 0.217 410 P C 1.770 178.979 177.300 -0.152 0.000 1.150 410 P CA 1.281 64.276 63.100 -0.174 0.000 0.832 410 P CB -0.225 31.332 31.700 -0.237 0.000 0.787 411 V N 0.454 120.280 119.914 -0.147 0.000 2.261 411 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 411 V C 2.537 178.515 176.094 -0.192 0.000 1.047 411 V CA 2.420 64.624 62.300 -0.160 0.000 1.015 411 V CB -1.745 29.979 31.823 -0.165 0.000 0.642 411 V HN 0.106 nan 8.190 nan 0.000 0.446 412 A N -0.409 122.309 122.820 -0.169 0.000 1.933 412 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 412 A C 2.174 179.691 177.584 -0.113 0.000 1.175 412 A CA 2.141 54.078 52.037 -0.167 0.000 0.628 412 A CB -0.561 18.395 19.000 -0.074 0.000 0.814 412 A HN 0.579 nan 8.150 nan 0.000 0.444 413 Q N -0.520 119.234 119.800 -0.077 0.000 2.124 413 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 413 Q C 1.781 177.738 176.000 -0.070 0.000 0.977 413 Q CA 1.859 57.635 55.803 -0.045 0.000 0.850 413 Q CB -0.458 28.254 28.738 -0.042 0.000 0.901 413 Q HN 0.547 nan 8.270 nan 0.000 0.429 414 L N -0.153 120.999 121.223 -0.120 0.000 2.068 414 L HA 0.135 4.475 4.340 -0.000 0.000 0.204 414 L C 2.119 178.898 176.870 -0.152 0.000 1.076 414 L CA 1.828 56.586 54.840 -0.138 0.000 0.753 414 L CB -1.050 40.913 42.059 -0.160 0.000 0.910 414 L HN 0.232 nan 8.230 nan 0.000 0.439 415 A N -0.063 122.621 122.820 -0.228 0.000 1.869 415 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 415 A C 2.353 179.852 177.584 -0.142 0.000 1.203 415 A CA 2.176 54.013 52.037 -0.334 0.000 0.638 415 A CB -1.830 16.677 19.000 -0.822 0.000 0.831 415 A HN 0.541 nan 8.150 nan 0.000 0.450 416 G N -1.248 107.523 108.800 -0.049 0.000 2.446 416 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 416 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 416 G C 1.728 176.702 174.900 0.124 0.000 1.168 416 G CA 0.962 46.184 45.100 0.203 0.000 0.771 416 G HN 0.372 nan 8.290 nan 0.000 0.551 417 R N -0.478 120.057 120.500 0.058 0.000 2.096 417 R HA 0.032 4.371 4.340 -0.000 0.000 0.235 417 R C 2.546 178.909 176.300 0.106 0.000 1.127 417 R CA 0.611 56.756 56.100 0.076 0.000 0.968 417 R CB -0.854 29.473 30.300 0.045 0.000 0.861 417 R HN 0.340 nan 8.270 nan 0.000 0.440 418 L N 0.231 121.470 121.223 0.027 0.000 1.988 418 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 418 L C 2.420 179.376 176.870 0.143 0.000 1.071 418 L CA 2.036 56.895 54.840 0.031 0.000 0.744 418 L CB -1.366 40.636 42.059 -0.096 0.000 0.893 418 L HN 0.125 nan 8.230 nan 0.000 0.433 419 A N -0.551 122.350 122.820 0.134 0.000 1.869 419 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 419 A C 2.434 180.102 177.584 0.139 0.000 1.203 419 A CA 2.540 54.671 52.037 0.157 0.000 0.638 419 A CB -1.267 17.867 19.000 0.223 0.000 0.831 419 A HN 0.474 nan 8.150 nan 0.000 0.450 420 A N -1.741 121.161 122.820 0.137 0.000 2.032 420 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 420 A C 2.031 179.686 177.584 0.118 0.000 1.165 420 A CA 2.152 54.256 52.037 0.113 0.000 0.645 420 A CB -0.406 18.658 19.000 0.107 0.000 0.807 420 A HN 0.581 nan 8.150 nan 0.000 0.453 421 Q N -2.479 117.423 119.800 0.170 0.000 2.360 421 Q HA 0.337 4.677 4.340 -0.000 0.000 0.202 421 Q C 1.153 177.241 176.000 0.147 0.000 0.915 421 Q CA 0.923 56.829 55.803 0.171 0.000 0.943 421 Q CB 0.450 29.370 28.738 0.304 0.000 1.064 421 Q HN 0.802 nan 8.270 nan 0.000 0.511 422 G N -1.319 107.569 108.800 0.147 0.000 2.705 422 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.193 422 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.193 422 G C 0.257 175.242 174.900 0.142 0.000 1.015 422 G CA -0.351 44.821 45.100 0.120 0.000 0.743 422 G HN 0.484 nan 8.290 nan 0.000 0.476 423 A N 0.699 123.634 122.820 0.191 0.000 2.547 423 A HA 0.512 4.832 4.320 -0.000 0.000 0.233 423 A C 0.780 178.450 177.584 0.143 0.000 1.067 423 A CA 1.196 53.340 52.037 0.177 0.000 0.763 423 A CB 0.081 19.175 19.000 0.157 0.000 1.007 423 A HN 1.061 nan 8.150 nan 0.000 0.506 424 R N 1.725 122.322 120.500 0.162 0.000 2.215 424 R HA 0.525 4.865 4.340 -0.000 0.000 0.336 424 R C -1.510 174.904 176.300 0.190 0.000 0.996 424 R CA -0.325 55.868 56.100 0.154 0.000 0.847 424 R CB 0.561 30.984 30.300 0.205 0.000 1.127 424 R HN 0.451 nan 8.270 nan 0.000 0.465 425 V N 4.928 124.902 119.914 0.100 0.000 2.769 425 V HA 0.511 4.631 4.120 -0.000 0.000 0.312 425 V C -1.007 175.126 176.094 0.065 0.000 1.058 425 V CA -0.712 61.667 62.300 0.132 0.000 0.952 425 V CB 1.646 33.539 31.823 0.118 0.000 1.019 425 V HN 0.636 nan 8.190 nan 0.000 0.445 426 Y N 0.833 121.183 120.300 0.084 0.000 2.545 426 Y HA 0.832 5.382 4.550 -0.000 0.000 0.348 426 Y C 0.228 176.368 175.900 0.401 0.000 1.002 426 Y CA -0.559 57.707 58.100 0.276 0.000 1.039 426 Y CB 2.286 40.640 38.460 -0.177 0.000 1.271 426 Y HN 0.818 nan 8.280 nan 0.000 0.467 427 A N 1.843 125.127 122.820 0.772 0.000 2.527 427 A HA 0.925 5.245 4.320 -0.000 0.000 0.293 427 A C -1.967 175.852 177.584 0.392 0.000 1.117 427 A CA -0.724 51.561 52.037 0.413 0.000 0.723 427 A CB 1.765 20.876 19.000 0.185 0.000 1.313 427 A HN 0.885 nan 8.150 nan 0.000 0.411 428 Y N -1.566 118.831 120.300 0.161 0.000 2.725 428 Y HA 0.799 5.349 4.550 -0.000 0.000 0.333 428 Y C -1.636 174.331 175.900 0.112 0.000 1.242 428 Y CA -1.490 56.639 58.100 0.049 0.000 1.059 428 Y CB 1.202 39.703 38.460 0.069 0.000 1.306 428 Y HN 0.406 nan 8.280 nan 0.000 0.454 429 I N 3.044 123.876 120.570 0.438 0.000 2.517 429 I HA 0.196 4.366 4.170 -0.000 0.000 0.280 429 I C -1.101 175.304 176.117 0.480 0.000 1.061 429 I CA -0.758 60.746 61.300 0.340 0.000 1.091 429 I CB 1.097 39.225 38.000 0.213 0.000 1.205 429 I HN 0.705 nan 8.210 nan 0.000 0.459 430 F N 6.312 126.551 119.950 0.481 0.000 2.541 430 F HA 0.112 4.638 4.527 -0.000 0.000 0.378 430 F C 1.122 177.085 175.800 0.271 0.000 1.068 430 F CA 0.804 59.025 58.000 0.369 0.000 1.199 430 F CB 0.608 39.831 39.000 0.371 0.000 1.091 430 F HN 0.510 nan 8.300 nan 0.000 0.555 431 E N 2.804 123.012 120.200 0.014 0.000 2.601 431 E HA -0.027 4.323 4.350 -0.000 0.000 0.219 431 E C -0.723 175.901 176.600 0.041 0.000 0.964 431 E CA -0.203 56.252 56.400 0.091 0.000 1.050 431 E CB 0.230 29.976 29.700 0.076 0.000 1.068 431 E HN 0.495 nan 8.360 nan 0.000 0.496 432 H N 2.086 120.983 119.070 -0.289 0.000 2.604 432 H HA 0.200 4.756 4.556 -0.000 0.000 0.306 432 H C -0.340 175.082 175.328 0.156 0.000 1.075 432 H CA -0.586 55.371 56.048 -0.152 0.000 1.357 432 H CB 0.441 30.040 29.762 -0.273 0.000 1.426 432 H HN -0.127 nan 8.280 nan 0.000 0.470 433 R N 4.405 124.765 120.500 -0.233 0.000 2.216 433 R HA 0.477 4.817 4.340 -0.000 0.000 0.332 433 R C -0.513 175.583 176.300 -0.340 0.000 1.056 433 R CA -0.524 55.505 56.100 -0.117 0.000 0.901 433 R CB 0.209 30.530 30.300 0.035 0.000 1.039 433 R HN 0.776 nan 8.270 nan 0.000 0.456 434 A N 3.229 126.062 122.820 0.021 0.000 2.531 434 A HA 0.018 4.338 4.320 -0.000 0.000 0.236 434 A C 1.321 179.031 177.584 0.211 0.000 1.062 434 A CA 0.424 52.653 52.037 0.320 0.000 0.760 434 A CB 0.344 19.735 19.000 0.652 0.000 0.995 434 A HN 1.036 nan 8.150 nan 0.000 0.501 435 S N 1.129 117.003 115.700 0.289 0.000 2.402 435 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 435 S C 1.637 176.281 174.600 0.073 0.000 1.021 435 S CA 1.692 60.000 58.200 0.179 0.000 0.974 435 S CB -1.062 62.259 63.200 0.202 0.000 0.800 435 S HN 1.268 nan 8.310 nan 0.000 0.484 436 T N 0.058 114.620 114.554 0.014 0.000 3.035 436 T HA 0.163 4.513 4.350 -0.000 0.000 0.268 436 T C 0.887 175.561 174.700 -0.042 0.000 1.109 436 T CA -0.193 61.849 62.100 -0.095 0.000 1.119 436 T CB -0.687 67.995 68.868 -0.310 0.000 0.900 436 T HN 0.263 nan 8.240 nan 0.000 0.503 437 L N 4.167 125.414 121.223 0.039 0.000 2.678 437 L HA 0.015 4.355 4.340 -0.000 0.000 0.285 437 L C 1.276 178.151 176.870 0.008 0.000 1.233 437 L CA 1.255 56.123 54.840 0.047 0.000 0.920 437 L CB 0.002 42.104 42.059 0.072 0.000 1.176 437 L HN 0.540 nan 8.230 nan 0.000 0.495 438 T N 0.606 115.132 114.554 -0.047 0.000 3.086 438 T HA 0.044 4.394 4.350 -0.000 0.000 0.250 438 T C 0.389 175.141 174.700 0.086 0.000 1.074 438 T CA -0.425 61.640 62.100 -0.057 0.000 0.988 438 T CB -0.135 68.567 68.868 -0.275 0.000 0.988 438 T HN 0.468 nan 8.240 nan 0.000 0.530 439 W N 2.823 124.168 121.300 0.076 0.000 2.183 439 W HA 0.448 5.108 4.660 -0.000 0.000 0.348 439 W C -2.166 174.269 176.519 -0.141 0.000 1.257 439 W CA -2.274 55.072 57.345 0.001 0.000 1.324 439 W CB 0.057 29.456 29.460 -0.102 0.000 1.144 439 W HN -0.095 nan 8.180 nan 0.000 0.622 440 P HA -0.060 nan 4.420 nan 0.000 0.272 440 P C 0.800 178.034 177.300 -0.110 0.000 1.223 440 P CA -0.278 62.761 63.100 -0.101 0.000 0.784 440 P CB 0.792 32.375 31.700 -0.195 0.000 0.923 441 L N 2.451 123.684 121.223 0.017 0.000 2.043 441 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 441 L C 2.274 179.216 176.870 0.120 0.000 1.075 441 L CA 2.158 57.042 54.840 0.073 0.000 0.752 441 L CB -1.448 40.681 42.059 0.116 0.000 0.891 441 L HN 0.675 nan 8.230 nan 0.000 0.432 442 W N -0.043 121.315 121.300 0.096 0.000 2.336 442 W HA -0.258 4.402 4.660 -0.000 0.000 0.277 442 W C 1.660 178.245 176.519 0.110 0.000 1.211 442 W CA 0.744 58.149 57.345 0.101 0.000 1.187 442 W CB -1.033 28.488 29.460 0.102 0.000 1.132 442 W HN 0.210 nan 8.180 nan 0.000 0.562 443 M N 1.158 120.625 119.600 -0.222 0.000 2.556 443 M HA 0.189 4.669 4.480 -0.000 0.000 0.245 443 M C 1.951 178.241 176.300 -0.016 0.000 1.128 443 M CA 1.007 56.164 55.300 -0.238 0.000 1.069 443 M CB -0.511 31.706 32.600 -0.637 0.000 1.469 443 M HN 0.150 nan 8.290 nan 0.000 0.494 444 G N 1.306 110.133 108.800 0.045 0.000 2.692 444 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.339 444 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.339 444 G C 0.109 175.055 174.900 0.077 0.000 1.226 444 G CA 0.248 45.402 45.100 0.090 0.000 0.979 444 G HN 0.281 nan 8.290 nan 0.000 0.549 445 V N 4.097 124.090 119.914 0.132 0.000 2.257 445 V HA 0.444 4.564 4.120 -0.000 0.000 0.269 445 V C -1.820 174.386 176.094 0.187 0.000 1.040 445 V CA -0.886 61.527 62.300 0.188 0.000 0.813 445 V CB 1.391 33.390 31.823 0.293 0.000 1.065 445 V HN 0.433 nan 8.190 nan 0.000 0.457 446 P HA 0.113 nan 4.420 nan 0.000 0.272 446 P C -0.227 177.253 177.300 0.299 0.000 1.230 446 P CA -0.339 62.829 63.100 0.113 0.000 0.788 446 P CB 0.355 31.937 31.700 -0.197 0.000 0.949 447 H N 1.055 120.191 119.070 0.110 0.000 3.167 447 H HA 0.208 4.764 4.556 -0.000 0.000 0.306 447 H C 1.564 176.825 175.328 -0.111 0.000 0.965 447 H CA 2.271 58.339 56.048 0.032 0.000 1.408 447 H CB -0.664 29.137 29.762 0.065 0.000 1.406 447 H HN 0.732 nan 8.280 nan 0.000 0.576 448 G N 3.600 112.125 108.800 -0.459 0.000 2.176 448 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.253 448 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.253 448 G C 0.423 175.087 174.900 -0.392 0.000 0.979 448 G CA 0.411 45.201 45.100 -0.516 0.000 0.641 448 G HN 0.657 nan 8.290 nan 0.000 0.530 449 Y N 1.476 121.786 120.300 0.017 0.000 2.547 449 Y HA 0.287 4.837 4.550 -0.000 0.000 0.325 449 Y C 2.138 178.001 175.900 -0.062 0.000 1.165 449 Y CA 0.758 58.921 58.100 0.105 0.000 1.300 449 Y CB 0.273 38.853 38.460 0.201 0.000 1.126 449 Y HN 0.568 nan 8.280 nan 0.000 0.513 450 E N -0.290 119.718 120.200 -0.321 0.000 2.340 450 E HA -0.044 4.306 4.350 -0.000 0.000 0.198 450 E C 1.601 178.035 176.600 -0.277 0.000 0.961 450 E CA 0.493 56.369 56.400 -0.872 0.000 0.905 450 E CB -0.230 28.836 29.700 -1.057 0.000 0.884 450 E HN 0.434 nan 8.360 nan 0.000 0.491 451 I N 2.194 122.689 120.570 -0.124 0.000 2.118 451 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 451 I C 2.279 178.373 176.117 -0.037 0.000 1.070 451 I CA 1.929 63.224 61.300 -0.009 0.000 1.327 451 I CB -1.413 36.663 38.000 0.126 0.000 1.034 451 I HN 0.122 nan 8.210 nan 0.000 0.405 452 E N 1.364 121.485 120.200 -0.131 0.000 2.086 452 E HA -0.260 4.090 4.350 -0.000 0.000 0.205 452 E C 2.188 178.495 176.600 -0.488 0.000 1.027 452 E CA 1.912 58.121 56.400 -0.318 0.000 0.830 452 E CB -0.580 28.891 29.700 -0.383 0.000 0.751 452 E HN 0.477 nan 8.360 nan 0.000 0.456 453 F N 1.166 120.998 119.950 -0.196 0.000 2.060 453 F HA -0.155 4.372 4.527 -0.000 0.000 0.295 453 F C 2.531 178.127 175.800 -0.340 0.000 1.120 453 F CA 0.744 58.570 58.000 -0.291 0.000 1.205 453 F CB -0.461 38.395 39.000 -0.239 0.000 0.986 453 F HN -0.061 nan 8.300 nan 0.000 0.470 454 I N -0.384 120.038 120.570 -0.246 0.000 2.145 454 I HA -0.339 3.831 4.170 -0.000 0.000 0.244 454 I C 2.375 178.211 176.117 -0.469 0.000 1.075 454 I CA 1.948 62.931 61.300 -0.529 0.000 1.332 454 I CB -1.544 35.967 38.000 -0.815 0.000 1.033 454 I HN 0.107 nan 8.210 nan 0.000 0.410 455 F N 0.899 120.667 119.950 -0.303 0.000 2.365 455 F HA 0.037 4.564 4.527 -0.000 0.000 0.300 455 F C 1.950 177.631 175.800 -0.198 0.000 1.090 455 F CA 1.278 59.139 58.000 -0.232 0.000 1.408 455 F CB -0.374 38.477 39.000 -0.250 0.000 1.060 455 F HN 0.341 nan 8.300 nan 0.000 0.534 456 G N -0.379 108.285 108.800 -0.226 0.000 2.140 456 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.211 456 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.211 456 G C 0.789 175.170 174.900 -0.865 0.000 1.013 456 G CA 0.130 44.981 45.100 -0.414 0.000 0.705 456 G HN 0.236 nan 8.290 nan 0.000 0.508 457 L N 0.325 121.125 121.223 -0.705 0.000 2.187 457 L HA 0.062 4.401 4.340 -0.000 0.000 0.213 457 L C 0.418 176.889 176.870 -0.665 0.000 1.100 457 L CA 2.623 57.048 54.840 -0.692 0.000 0.765 457 L CB -0.887 40.989 42.059 -0.305 0.000 0.904 457 L HN 0.248 nan 8.230 nan 0.000 0.437 458 P HA -0.110 nan 4.420 nan 0.000 0.223 458 P C 1.782 178.891 177.300 -0.317 0.000 1.151 458 P CA 0.827 63.463 63.100 -0.774 0.000 0.787 458 P CB 0.067 31.121 31.700 -1.077 0.000 0.788 459 L N -0.819 120.152 121.223 -0.420 0.000 2.187 459 L HA -0.110 4.229 4.340 -0.000 0.000 0.213 459 L C 1.109 177.908 176.870 -0.119 0.000 1.100 459 L CA 1.199 55.894 54.840 -0.243 0.000 0.765 459 L CB -1.209 40.709 42.059 -0.235 0.000 0.904 459 L HN -0.008 nan 8.230 nan 0.000 0.437 460 D N -0.324 119.974 120.400 -0.170 0.000 2.339 460 D HA 0.059 4.699 4.640 -0.000 0.000 0.256 460 D C -1.677 174.661 176.300 0.064 0.000 1.214 460 D CA -2.022 52.012 54.000 0.058 0.000 0.877 460 D CB 1.502 42.387 40.800 0.141 0.000 1.111 460 D HN -0.073 nan 8.370 nan 0.000 0.478 461 P HA -0.130 nan 4.420 nan 0.000 0.218 461 P C 1.435 178.765 177.300 0.050 0.000 1.149 461 P CA 1.021 64.158 63.100 0.062 0.000 0.817 461 P CB 0.145 31.878 31.700 0.055 0.000 0.785 462 S N -0.235 115.493 115.700 0.047 0.000 2.356 462 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 462 S C 1.985 176.587 174.600 0.003 0.000 1.032 462 S CA 1.087 59.301 58.200 0.023 0.000 1.005 462 S CB -1.735 61.480 63.200 0.024 0.000 0.867 462 S HN 0.049 nan 8.310 nan 0.000 0.449 463 L N 2.318 123.549 121.223 0.013 0.000 2.189 463 L HA -0.179 4.161 4.340 -0.000 0.000 0.214 463 L C 0.657 177.463 176.870 -0.107 0.000 1.097 463 L CA 1.300 56.120 54.840 -0.033 0.000 0.764 463 L CB -1.548 40.547 42.059 0.061 0.000 0.900 463 L HN 0.815 nan 8.230 nan 0.000 0.436 464 N N -2.717 115.975 118.700 -0.014 0.000 2.573 464 N HA -0.277 4.463 4.740 -0.000 0.000 0.280 464 N C -0.482 174.991 175.510 -0.061 0.000 1.187 464 N CA 0.417 53.460 53.050 -0.011 0.000 0.717 464 N CB -1.683 36.786 38.487 -0.030 0.000 0.899 464 N HN 0.284 nan 8.380 nan 0.000 0.546 465 Y N 0.365 120.676 120.300 0.018 0.000 2.771 465 Y HA 0.635 5.184 4.550 -0.000 0.000 0.359 465 Y C 1.693 177.648 175.900 0.092 0.000 1.247 465 Y CA -0.063 58.081 58.100 0.073 0.000 1.324 465 Y CB 0.388 38.903 38.460 0.092 0.000 1.539 465 Y HN 0.488 nan 8.280 nan 0.000 0.698 466 T N -3.176 111.585 114.554 0.346 0.000 2.943 466 T HA 0.216 4.566 4.350 -0.000 0.000 0.284 466 T C 0.672 175.480 174.700 0.180 0.000 1.015 466 T CA -0.346 61.880 62.100 0.210 0.000 1.042 466 T CB 1.320 70.297 68.868 0.182 0.000 1.055 466 T HN 0.606 nan 8.240 nan 0.000 0.500 467 T N 1.487 116.112 114.554 0.117 0.000 2.699 467 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 467 T C 1.593 176.347 174.700 0.090 0.000 1.036 467 T CA 1.919 64.072 62.100 0.089 0.000 1.147 467 T CB -0.462 68.443 68.868 0.061 0.000 0.862 467 T HN 0.793 nan 8.240 nan 0.000 0.446 468 E N 1.545 121.793 120.200 0.080 0.000 2.038 468 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 468 E C 2.330 179.004 176.600 0.123 0.000 1.000 468 E CA 1.287 57.715 56.400 0.048 0.000 0.803 468 E CB -0.311 29.377 29.700 -0.020 0.000 0.750 468 E HN 0.612 nan 8.360 nan 0.000 0.448 469 E N 0.533 120.858 120.200 0.209 0.000 2.097 469 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 469 E C 2.224 178.996 176.600 0.287 0.000 1.000 469 E CA 1.054 57.696 56.400 0.403 0.000 0.804 469 E CB -0.200 29.860 29.700 0.599 0.000 0.740 469 E HN 0.162 nan 8.360 nan 0.000 0.454 470 R N 1.116 121.708 120.500 0.153 0.000 2.080 470 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 470 R C 2.395 178.739 176.300 0.073 0.000 1.137 470 R CA 1.515 57.647 56.100 0.052 0.000 0.943 470 R CB -0.343 29.984 30.300 0.044 0.000 0.846 470 R HN 0.121 nan 8.270 nan 0.000 0.431 471 I N 0.672 121.302 120.570 0.100 0.000 2.163 471 I HA -0.302 3.867 4.170 -0.000 0.000 0.243 471 I C 2.397 178.615 176.117 0.169 0.000 1.085 471 I CA 1.137 62.494 61.300 0.095 0.000 1.347 471 I CB -0.538 37.506 38.000 0.073 0.000 1.044 471 I HN 0.200 nan 8.210 nan 0.000 0.408 472 F N 2.237 122.192 119.950 0.009 0.000 2.043 472 F HA -0.345 4.182 4.527 -0.000 0.000 0.297 472 F C 2.539 178.387 175.800 0.079 0.000 1.118 472 F CA 1.455 59.464 58.000 0.014 0.000 1.202 472 F CB -1.126 37.845 39.000 -0.048 0.000 0.965 472 F HN 0.085 nan 8.300 nan 0.000 0.482 473 A N 0.480 123.365 122.820 0.109 0.000 1.884 473 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 473 A C 2.133 179.698 177.584 -0.032 0.000 1.197 473 A CA 2.400 54.410 52.037 -0.044 0.000 0.637 473 A CB -1.191 17.755 19.000 -0.091 0.000 0.827 473 A HN 0.680 nan 8.150 nan 0.000 0.450 474 Q N -1.186 118.614 119.800 0.001 0.000 2.112 474 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 474 Q C 2.382 178.374 176.000 -0.013 0.000 0.987 474 Q CA 1.749 57.548 55.803 -0.008 0.000 0.858 474 Q CB -0.278 28.462 28.738 0.004 0.000 0.905 474 Q HN 0.702 nan 8.270 nan 0.000 0.420 475 R N 0.725 121.242 120.500 0.028 0.000 2.070 475 R HA -0.135 4.205 4.340 -0.000 0.000 0.233 475 R C 2.311 178.571 176.300 -0.067 0.000 1.137 475 R CA 1.127 57.194 56.100 -0.054 0.000 0.945 475 R CB -0.210 30.163 30.300 0.123 0.000 0.845 475 R HN 0.201 nan 8.270 nan 0.000 0.430 476 L N 0.338 121.678 121.223 0.195 0.000 2.012 476 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 476 L C 2.613 179.660 176.870 0.294 0.000 1.073 476 L CA 1.702 56.772 54.840 0.382 0.000 0.748 476 L CB -0.347 41.744 42.059 0.054 0.000 0.891 476 L HN 0.300 nan 8.230 nan 0.000 0.431 477 M N -1.239 118.395 119.600 0.056 0.000 2.149 477 M HA -0.208 4.272 4.480 -0.000 0.000 0.261 477 M C 2.224 178.572 176.300 0.081 0.000 1.064 477 M CA 1.439 56.750 55.300 0.018 0.000 1.102 477 M CB -0.584 31.988 32.600 -0.047 0.000 1.369 477 M HN 0.059 nan 8.290 nan 0.000 0.408 478 K N 0.405 120.814 120.400 0.015 0.000 2.057 478 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 478 K C 1.821 178.429 176.600 0.013 0.000 1.049 478 K CA 1.755 58.013 56.287 -0.048 0.000 0.931 478 K CB -0.541 31.851 32.500 -0.181 0.000 0.714 478 K HN 0.393 nan 8.250 nan 0.000 0.440 479 Y N -0.657 119.745 120.300 0.170 0.000 2.145 479 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 479 Y C 2.516 178.404 175.900 -0.020 0.000 1.145 479 Y CA 0.978 59.123 58.100 0.075 0.000 1.148 479 Y CB -0.615 37.940 38.460 0.157 0.000 0.981 479 Y HN 0.179 nan 8.280 nan 0.000 0.507 480 W N 0.936 122.277 121.300 0.069 0.000 2.329 480 W HA -0.254 4.405 4.660 -0.000 0.000 0.324 480 W C 2.625 179.109 176.519 -0.059 0.000 1.222 480 W CA 2.749 60.074 57.345 -0.034 0.000 1.270 480 W CB -1.028 28.345 29.460 -0.145 0.000 1.167 480 W HN 0.217 nan 8.180 nan 0.000 0.467 481 T N -0.998 113.627 114.554 0.118 0.000 2.737 481 T HA -0.251 4.099 4.350 -0.000 0.000 0.269 481 T C 1.501 176.189 174.700 -0.019 0.000 1.040 481 T CA 1.568 63.674 62.100 0.010 0.000 1.142 481 T CB -0.762 68.107 68.868 0.001 0.000 0.861 481 T HN -0.012 nan 8.240 nan 0.000 0.456 482 N N 0.751 119.447 118.700 -0.007 0.000 2.142 482 N HA 0.001 4.741 4.740 -0.000 0.000 0.186 482 N C 1.465 176.918 175.510 -0.096 0.000 1.023 482 N CA 1.043 54.066 53.050 -0.045 0.000 0.852 482 N CB -0.552 37.920 38.487 -0.025 0.000 0.998 482 N HN 0.510 nan 8.380 nan 0.000 0.424 483 F N 1.681 121.479 119.950 -0.254 0.000 2.171 483 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 483 F C 2.109 177.782 175.800 -0.211 0.000 1.090 483 F CA 1.183 58.974 58.000 -0.349 0.000 1.293 483 F CB -0.389 38.283 39.000 -0.546 0.000 1.013 483 F HN 0.016 nan 8.300 nan 0.000 0.486 484 A N 2.118 124.815 122.820 -0.204 0.000 1.865 484 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 484 A C 2.444 179.888 177.584 -0.232 0.000 1.191 484 A CA 2.217 54.127 52.037 -0.211 0.000 0.623 484 A CB -0.813 18.138 19.000 -0.082 0.000 0.826 484 A HN 0.558 nan 8.150 nan 0.000 0.444 485 R N -0.712 119.688 120.500 -0.167 0.000 2.062 485 R HA -0.072 4.268 4.340 -0.000 0.000 0.226 485 R C 2.266 178.462 176.300 -0.173 0.000 1.125 485 R CA 2.051 58.067 56.100 -0.139 0.000 0.966 485 R CB -1.417 28.831 30.300 -0.086 0.000 0.861 485 R HN 0.583 nan 8.270 nan 0.000 0.433 486 T N -2.483 111.958 114.554 -0.188 0.000 2.866 486 T HA 0.197 4.547 4.350 -0.000 0.000 0.250 486 T C 1.423 175.978 174.700 -0.241 0.000 1.033 486 T CA 1.022 63.019 62.100 -0.172 0.000 1.145 486 T CB -0.088 68.707 68.868 -0.122 0.000 0.866 486 T HN 0.561 nan 8.240 nan 0.000 0.434 487 G N 1.098 109.656 108.800 -0.403 0.000 2.237 487 G HA2 0.025 3.985 3.960 -0.000 0.000 0.153 487 G HA3 0.025 3.985 3.960 -0.000 0.000 0.153 487 G C -0.520 174.268 174.900 -0.187 0.000 1.039 487 G CA 0.035 44.809 45.100 -0.545 0.000 0.719 487 G HN 0.861 nan 8.290 nan 0.000 0.491 488 D N -0.523 119.750 120.400 -0.212 0.000 2.688 488 D HA 0.321 4.961 4.640 -0.000 0.000 0.210 488 D C -1.979 174.133 176.300 -0.314 0.000 1.333 488 D CA -1.032 52.775 54.000 -0.321 0.000 0.920 488 D CB 2.015 42.768 40.800 -0.080 0.000 1.554 488 D HN -0.049 nan 8.370 nan 0.000 0.579 489 P HA -0.041 nan 4.420 nan 0.000 0.239 489 P C 0.083 177.382 177.300 -0.001 0.000 1.184 489 P CA 0.097 62.996 63.100 -0.336 0.000 0.760 489 P CB 0.293 31.487 31.700 -0.844 0.000 0.884 490 N N 1.060 119.756 118.700 -0.006 0.000 2.530 490 N HA 0.085 4.825 4.740 -0.000 0.000 0.273 490 N C 0.247 175.802 175.510 0.075 0.000 1.173 490 N CA 0.256 53.377 53.050 0.117 0.000 0.967 490 N CB 0.124 38.691 38.487 0.135 0.000 1.109 490 N HN 0.099 nan 8.380 nan 0.000 0.453 491 D N 2.940 123.397 120.400 0.094 0.000 2.662 491 D HA -0.026 4.614 4.640 -0.000 0.000 0.233 491 D C -1.289 175.033 176.300 0.036 0.000 1.129 491 D CA -0.788 53.239 54.000 0.046 0.000 0.851 491 D CB -0.430 40.401 40.800 0.051 0.000 1.152 491 D HN 0.264 nan 8.370 nan 0.000 0.507 492 P HA -0.328 nan 4.420 nan 0.000 0.241 492 P C 1.840 179.150 177.300 0.017 0.000 0.841 492 P CA 3.042 66.147 63.100 0.008 0.000 1.115 492 P CB -0.107 31.595 31.700 0.002 0.000 0.725 493 R N -1.018 119.491 120.500 0.015 0.000 2.146 493 R HA 0.162 4.502 4.340 -0.000 0.000 0.206 493 R C 1.693 178.008 176.300 0.025 0.000 1.049 493 R CA 1.727 57.838 56.100 0.019 0.000 1.029 493 R CB -1.827 28.480 30.300 0.013 0.000 0.949 493 R HN 0.582 nan 8.270 nan 0.000 0.471 494 D N 1.158 121.571 120.400 0.022 0.000 2.501 494 D HA 0.404 5.044 4.640 -0.000 0.000 0.268 494 D C 0.669 176.990 176.300 0.036 0.000 1.361 494 D CA 0.328 54.343 54.000 0.024 0.000 1.258 494 D CB -1.060 39.751 40.800 0.018 0.000 1.136 494 D HN 0.908 nan 8.370 nan 0.000 0.528 495 S N 0.855 116.580 115.700 0.040 0.000 3.988 495 S HA 0.478 4.948 4.470 -0.000 0.000 0.180 495 S C 1.297 175.928 174.600 0.053 0.000 1.242 495 S CA 0.380 58.612 58.200 0.053 0.000 0.947 495 S CB -0.961 62.269 63.200 0.050 0.000 1.519 495 S HN 1.048 nan 8.310 nan 0.000 0.439 496 K N 1.220 121.653 120.400 0.054 0.000 2.021 496 K HA 0.633 4.953 4.320 -0.000 0.000 0.238 496 K C 1.281 177.920 176.600 0.064 0.000 1.149 496 K CA 0.807 57.124 56.287 0.051 0.000 1.105 496 K CB -2.056 30.469 32.500 0.042 0.000 1.246 496 K HN 2.099 nan 8.250 nan 0.000 0.307 497 S N 1.277 117.012 115.700 0.057 0.000 4.116 497 S HA -0.157 4.313 4.470 -0.000 0.000 0.623 497 S C -1.255 173.393 174.600 0.079 0.000 1.933 497 S CA 0.913 59.149 58.200 0.059 0.000 4.224 497 S CB -2.541 60.688 63.200 0.049 0.000 0.208 497 S HN 0.765 nan 8.310 nan 0.000 0.527 498 P HA 0.525 nan 4.420 nan 0.000 0.264 498 P C -0.444 176.950 177.300 0.157 0.000 1.193 498 P CA 0.262 63.425 63.100 0.105 0.000 0.763 498 P CB 0.844 32.600 31.700 0.094 0.000 0.810 499 Q N 1.430 121.321 119.800 0.151 0.000 2.257 499 Q HA 0.521 4.861 4.340 -0.000 0.000 0.262 499 Q C -1.634 174.535 176.000 0.282 0.000 0.997 499 Q CA -0.450 55.480 55.803 0.212 0.000 0.873 499 Q CB 1.009 29.847 28.738 0.167 0.000 1.312 499 Q HN 0.465 nan 8.270 nan 0.000 0.450 500 W N 6.552 127.938 121.300 0.143 0.000 2.278 500 W HA 0.493 5.153 4.660 -0.000 0.000 0.317 500 W C -2.738 173.903 176.519 0.203 0.000 1.030 500 W CA -2.701 54.739 57.345 0.159 0.000 1.334 500 W CB 0.872 30.427 29.460 0.159 0.000 1.215 500 W HN 0.476 nan 8.180 nan 0.000 0.405 501 P HA 0.298 nan 4.420 nan 0.000 0.282 501 P C -2.628 174.758 177.300 0.144 0.000 1.249 501 P CA -1.844 61.404 63.100 0.246 0.000 0.806 501 P CB 0.971 32.736 31.700 0.108 0.000 0.984 502 P HA 0.002 nan 4.420 nan 0.000 0.265 502 P C -0.434 176.819 177.300 -0.078 0.000 1.193 502 P CA 0.204 63.045 63.100 -0.432 0.000 0.765 502 P CB -0.061 31.418 31.700 -0.368 0.000 0.823 503 Y N 3.749 123.997 120.300 -0.088 0.000 2.526 503 Y HA 0.266 4.816 4.550 -0.000 0.000 0.330 503 Y C 0.156 176.051 175.900 -0.008 0.000 1.156 503 Y CA 0.717 58.829 58.100 0.020 0.000 1.419 503 Y CB 0.210 38.715 38.460 0.075 0.000 1.250 503 Y HN 0.379 nan 8.280 nan 0.000 0.540 504 T N 1.615 115.912 114.554 -0.429 0.000 2.900 504 T HA 0.258 4.608 4.350 -0.000 0.000 0.295 504 T C 0.882 175.365 174.700 -0.363 0.000 1.044 504 T CA -0.312 61.639 62.100 -0.249 0.000 0.995 504 T CB 1.391 70.156 68.868 -0.171 0.000 1.072 504 T HN 0.657 nan 8.240 nan 0.000 0.473 505 T N 1.409 115.904 114.554 -0.098 0.000 2.607 505 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 505 T C 2.363 177.007 174.700 -0.093 0.000 1.049 505 T CA 1.411 63.487 62.100 -0.040 0.000 1.162 505 T CB -0.949 67.938 68.868 0.032 0.000 0.863 505 T HN 0.835 nan 8.240 nan 0.000 0.424 506 A N 1.959 124.733 122.820 -0.076 0.000 1.845 506 A HA 0.224 4.544 4.320 -0.000 0.000 0.215 506 A C 2.728 180.255 177.584 -0.095 0.000 1.195 506 A CA 2.184 54.183 52.037 -0.063 0.000 0.616 506 A CB -1.331 17.644 19.000 -0.042 0.000 0.832 506 A HN 0.657 nan 8.150 nan 0.000 0.443 507 A N -2.411 120.330 122.820 -0.133 0.000 2.021 507 A HA 0.171 4.490 4.320 -0.000 0.000 0.216 507 A C 1.000 178.468 177.584 -0.193 0.000 1.163 507 A CA 0.985 52.943 52.037 -0.131 0.000 0.676 507 A CB -0.318 18.619 19.000 -0.106 0.000 0.818 507 A HN 0.608 nan 8.150 nan 0.000 0.453 508 Q N -0.219 119.344 119.800 -0.396 0.000 2.460 508 Q HA -0.179 4.161 4.340 -0.000 0.000 0.311 508 Q C -0.983 174.860 176.000 -0.261 0.000 1.396 508 Q CA 0.592 56.032 55.803 -0.606 0.000 0.838 508 Q CB -1.640 26.983 28.738 -0.191 0.000 1.140 508 Q HN 0.854 nan 8.270 nan 0.000 0.415 509 Q N 0.616 120.271 119.800 -0.240 0.000 2.243 509 Q HA 0.567 4.906 4.340 -0.000 0.000 0.252 509 Q C -0.335 175.791 176.000 0.211 0.000 0.909 509 Q CA -0.173 55.610 55.803 -0.034 0.000 0.922 509 Q CB 0.908 29.609 28.738 -0.062 0.000 1.215 509 Q HN 0.373 nan 8.270 nan 0.000 0.427 510 Y N -1.617 118.714 120.300 0.052 0.000 2.625 510 Y HA 0.721 5.271 4.550 -0.000 0.000 0.338 510 Y C -1.225 174.572 175.900 -0.173 0.000 1.123 510 Y CA -1.421 56.682 58.100 0.004 0.000 1.046 510 Y CB 0.746 39.263 38.460 0.094 0.000 1.299 510 Y HN 0.371 nan 8.280 nan 0.000 0.464 511 V N -0.621 119.169 119.914 -0.206 0.000 2.864 511 V HA 0.737 4.857 4.120 -0.000 0.000 0.314 511 V C -0.211 175.802 176.094 -0.134 0.000 1.073 511 V CA -0.545 61.532 62.300 -0.372 0.000 0.956 511 V CB 1.339 32.657 31.823 -0.842 0.000 1.023 511 V HN 1.111 nan 8.190 nan 0.000 0.435 512 S N 4.323 119.953 115.700 -0.117 0.000 2.400 512 S HA 0.397 4.867 4.470 -0.000 0.000 0.295 512 S C -0.236 174.332 174.600 -0.053 0.000 1.113 512 S CA -0.572 57.621 58.200 -0.011 0.000 1.064 512 S CB -0.141 63.050 63.200 -0.016 0.000 0.990 512 S HN 0.689 nan 8.310 nan 0.000 0.502 513 L N 5.786 127.020 121.223 0.018 0.000 2.363 513 L HA 0.417 4.757 4.340 -0.000 0.000 0.286 513 L C 0.295 177.136 176.870 -0.049 0.000 1.106 513 L CA 0.368 55.237 54.840 0.048 0.000 0.859 513 L CB -0.855 41.302 42.059 0.164 0.000 1.223 513 L HN 0.995 nan 8.230 nan 0.000 0.446 514 N N 1.841 120.421 118.700 -0.201 0.000 3.179 514 N HA 0.239 4.979 4.740 -0.000 0.000 0.250 514 N C 0.671 175.616 175.510 -0.942 0.000 1.507 514 N CA -0.831 51.862 53.050 -0.596 0.000 0.883 514 N CB 0.535 38.830 38.487 -0.320 0.000 1.435 514 N HN 0.183 nan 8.380 nan 0.000 0.532 515 L N -1.061 119.495 121.223 -1.111 0.000 2.034 515 L HA -0.169 4.171 4.340 -0.000 0.000 0.217 515 L C 0.448 177.055 176.870 -0.439 0.000 1.077 515 L CA 1.576 55.909 54.840 -0.845 0.000 0.769 515 L CB -0.728 40.951 42.059 -0.635 0.000 0.890 515 L HN 0.564 nan 8.230 nan 0.000 0.435 516 K N -0.166 120.053 120.400 -0.301 0.000 2.237 516 K HA 0.212 4.532 4.320 -0.000 0.000 0.270 516 K C -2.071 174.449 176.600 -0.132 0.000 1.015 516 K CA -1.969 54.217 56.287 -0.169 0.000 0.949 516 K CB -0.105 32.322 32.500 -0.121 0.000 0.976 516 K HN -0.157 nan 8.250 nan 0.000 0.472 517 P HA -0.079 nan 4.420 nan 0.000 0.270 517 P C -0.005 177.292 177.300 -0.006 0.000 1.221 517 P CA -0.144 62.952 63.100 -0.007 0.000 0.788 517 P CB 0.380 32.087 31.700 0.011 0.000 0.904 518 L N 1.306 122.557 121.223 0.047 0.000 2.605 518 L HA -0.133 4.207 4.340 -0.000 0.000 0.296 518 L C 1.129 177.974 176.870 -0.042 0.000 1.255 518 L CA 1.253 56.091 54.840 -0.003 0.000 0.879 518 L CB -0.111 41.974 42.059 0.043 0.000 1.124 518 L HN 0.552 nan 8.230 nan 0.000 0.507 519 E N 3.265 123.409 120.200 -0.094 0.000 3.117 519 E HA 0.192 4.542 4.350 -0.000 0.000 0.262 519 E C -0.962 175.544 176.600 -0.156 0.000 1.202 519 E CA -0.513 55.828 56.400 -0.097 0.000 0.853 519 E CB 1.046 30.698 29.700 -0.080 0.000 1.426 519 E HN 0.356 nan 8.360 nan 0.000 0.387 520 V N 3.072 122.888 119.914 -0.164 0.000 2.752 520 V HA -0.055 4.065 4.120 -0.000 0.000 0.306 520 V C 0.671 176.590 176.094 -0.292 0.000 1.099 520 V CA 0.929 63.090 62.300 -0.231 0.000 1.240 520 V CB 0.073 31.804 31.823 -0.154 0.000 0.887 520 V HN 0.559 nan 8.190 nan 0.000 0.499 521 R N 3.759 123.945 120.500 -0.522 0.000 2.867 521 R HA 0.751 5.091 4.340 -0.000 0.000 0.268 521 R C -0.927 175.036 176.300 -0.562 0.000 1.014 521 R CA -1.082 54.656 56.100 -0.604 0.000 0.946 521 R CB 2.291 32.085 30.300 -0.845 0.000 1.208 521 R HN 0.657 nan 8.270 nan 0.000 0.477 522 R N 0.084 120.431 120.500 -0.255 0.000 2.599 522 R HA 0.572 4.911 4.340 -0.000 0.000 0.295 522 R C -0.665 175.732 176.300 0.161 0.000 0.963 522 R CA -0.774 55.298 56.100 -0.047 0.000 0.883 522 R CB 2.095 32.369 30.300 -0.043 0.000 1.171 522 R HN 0.851 nan 8.270 nan 0.000 0.450 523 G N 2.482 111.444 108.800 0.270 0.000 3.445 523 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.634 523 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.634 523 G C -0.644 174.490 174.900 0.390 0.000 0.909 523 G CA -0.831 44.446 45.100 0.295 0.000 0.740 523 G HN 0.517 nan 8.290 nan 0.000 0.441 524 L N 4.329 125.705 121.223 0.255 0.000 2.295 524 L HA 0.351 4.691 4.340 -0.000 0.000 0.288 524 L C 1.596 178.504 176.870 0.064 0.000 1.079 524 L CA -0.856 53.968 54.840 -0.027 0.000 0.830 524 L CB 0.302 42.269 42.059 -0.153 0.000 1.200 524 L HN 0.792 nan 8.230 nan 0.000 0.438 525 R N 2.638 123.193 120.500 0.092 0.000 3.358 525 R HA -0.300 4.040 4.340 -0.000 0.000 0.248 525 R C 1.337 177.735 176.300 0.163 0.000 0.981 525 R CA 0.583 56.767 56.100 0.140 0.000 0.662 525 R CB -1.920 28.467 30.300 0.145 0.000 1.037 525 R HN 0.878 nan 8.270 nan 0.000 0.460 526 A N 0.595 123.510 122.820 0.158 0.000 1.909 526 A HA -0.355 3.965 4.320 -0.000 0.000 0.221 526 A C 2.103 179.779 177.584 0.154 0.000 1.223 526 A CA 2.154 54.283 52.037 0.152 0.000 0.658 526 A CB -0.239 18.843 19.000 0.137 0.000 0.831 526 A HN 0.492 nan 8.150 nan 0.000 0.462 527 Q N -1.197 118.695 119.800 0.154 0.000 1.965 527 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 527 Q C 2.366 178.490 176.000 0.207 0.000 0.981 527 Q CA 2.274 58.174 55.803 0.162 0.000 0.834 527 Q CB -0.897 27.934 28.738 0.155 0.000 0.900 527 Q HN 0.672 nan 8.270 nan 0.000 0.426 528 T N -0.219 114.481 114.554 0.243 0.000 2.653 528 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 528 T C 1.877 176.795 174.700 0.362 0.000 1.035 528 T CA 1.563 63.814 62.100 0.251 0.000 1.154 528 T CB -0.641 68.437 68.868 0.349 0.000 0.862 528 T HN 0.380 nan 8.240 nan 0.000 0.441 529 c N 1.305 120.097 118.600 0.320 0.000 2.456 529 c HA 0.337 4.907 4.570 -0.000 0.000 0.279 529 c C 3.089 177.327 174.090 0.247 0.000 1.427 529 c CA -0.202 56.313 56.329 0.311 0.000 1.778 529 c CB -1.551 41.077 42.510 0.196 0.000 1.842 529 c HN 0.653 nan 8.230 nan 0.000 0.531 530 A N 0.289 123.237 122.820 0.213 0.000 1.929 530 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 530 A C 1.814 179.521 177.584 0.206 0.000 1.176 530 A CA 1.027 53.171 52.037 0.178 0.000 0.628 530 A CB -0.695 18.395 19.000 0.149 0.000 0.816 530 A HN 0.470 nan 8.150 nan 0.000 0.444 531 F N -0.272 119.686 119.950 0.014 0.000 2.043 531 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 531 F C 1.932 177.702 175.800 -0.051 0.000 1.121 531 F CA 1.627 59.570 58.000 -0.096 0.000 1.199 531 F CB -0.961 37.731 39.000 -0.513 0.000 0.968 531 F HN 0.402 nan 8.300 nan 0.000 0.478 532 W N 0.741 121.879 121.300 -0.269 0.000 2.378 532 W HA -0.166 4.494 4.660 -0.000 0.000 0.313 532 W C 2.379 178.794 176.519 -0.175 0.000 1.197 532 W CA 1.171 58.309 57.345 -0.344 0.000 1.304 532 W CB -0.793 28.596 29.460 -0.118 0.000 1.148 532 W HN -0.012 nan 8.180 nan 0.000 0.494 533 N N -0.072 118.739 118.700 0.185 0.000 2.354 533 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 533 N C 1.569 177.120 175.510 0.069 0.000 1.021 533 N CA 1.085 54.196 53.050 0.101 0.000 0.887 533 N CB -0.414 38.126 38.487 0.089 0.000 0.974 533 N HN 0.293 nan 8.380 nan 0.000 0.437 534 R N -0.896 119.658 120.500 0.090 0.000 2.102 534 R HA 0.166 4.506 4.340 -0.000 0.000 0.208 534 R C 1.646 178.023 176.300 0.128 0.000 1.131 534 R CA 0.163 56.324 56.100 0.103 0.000 1.054 534 R CB -0.456 29.921 30.300 0.128 0.000 0.954 534 R HN 0.118 nan 8.270 nan 0.000 0.465 535 F N 2.079 122.011 119.950 -0.031 0.000 2.123 535 F HA 0.058 4.585 4.527 -0.000 0.000 0.289 535 F C 2.098 177.836 175.800 -0.103 0.000 1.099 535 F CA 0.727 58.707 58.000 -0.033 0.000 1.234 535 F CB -0.606 38.421 39.000 0.045 0.000 1.034 535 F HN -0.141 nan 8.300 nan 0.000 0.479 536 L N 0.818 121.713 121.223 -0.548 0.000 2.010 536 L HA -0.245 4.095 4.340 -0.000 0.000 0.219 536 L C -0.440 176.161 176.870 -0.448 0.000 1.077 536 L CA 2.554 56.968 54.840 -0.710 0.000 0.773 536 L CB -1.925 39.643 42.059 -0.818 0.000 0.892 536 L HN 0.132 nan 8.230 nan 0.000 0.436 537 P HA -0.213 nan 4.420 nan 0.000 0.214 537 P C 1.299 178.496 177.300 -0.171 0.000 1.163 537 P CA 1.663 64.671 63.100 -0.153 0.000 0.889 537 P CB -0.203 31.450 31.700 -0.078 0.000 0.790 538 K N -0.353 119.943 120.400 -0.175 0.000 2.152 538 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 538 K C 2.198 178.677 176.600 -0.202 0.000 1.048 538 K CA 1.180 57.388 56.287 -0.133 0.000 0.933 538 K CB -1.409 31.064 32.500 -0.045 0.000 0.721 538 K HN 0.249 nan 8.250 nan 0.000 0.447 539 L N 1.056 122.036 121.223 -0.405 0.000 2.027 539 L HA -0.126 4.214 4.340 -0.000 0.000 0.206 539 L C 2.550 179.299 176.870 -0.202 0.000 1.074 539 L CA 1.028 55.647 54.840 -0.368 0.000 0.745 539 L CB -0.248 41.493 42.059 -0.530 0.000 0.898 539 L HN 0.133 nan 8.230 nan 0.000 0.433 540 L N -0.651 120.451 121.223 -0.202 0.000 2.046 540 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 540 L C 2.551 179.371 176.870 -0.084 0.000 1.077 540 L CA 1.540 56.306 54.840 -0.122 0.000 0.747 540 L CB -0.484 41.509 42.059 -0.110 0.000 0.896 540 L HN 0.368 nan 8.230 nan 0.000 0.432 541 S N -0.779 114.871 115.700 -0.083 0.000 2.607 541 S HA 0.095 4.565 4.470 -0.000 0.000 0.224 541 S C 1.655 176.229 174.600 -0.044 0.000 0.969 541 S CA 0.480 58.648 58.200 -0.054 0.000 0.927 541 S CB 0.092 63.265 63.200 -0.045 0.000 0.772 541 S HN 0.359 nan 8.310 nan 0.000 0.533 542 A N 1.943 124.731 122.820 -0.052 0.000 1.973 542 A HA 0.281 4.601 4.320 -0.000 0.000 0.210 542 A C 1.577 179.145 177.584 -0.028 0.000 1.200 542 A CA 0.795 52.812 52.037 -0.033 0.000 0.707 542 A CB -0.786 18.195 19.000 -0.030 0.000 0.862 542 A HN 0.592 nan 8.150 nan 0.000 0.461 543 T N 0.000 114.531 114.554 -0.038 0.000 3.816 543 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 543 T CA 0.000 62.083 62.100 -0.029 0.000 1.349 543 T CB 0.000 68.848 68.868 -0.033 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658