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 1hrd_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKYVDRVIAE VEKKYADEPE FVQTVEEVLS SLGPVVDAHP EYEEVALLER DATA SEQUENCE MVIPERVIEF RVPWEDDNGK VHVNTGYRVQ FNGAIGPYKG GLRFAPSVNL DATA SEQUENCE SIMKFLGFEQ AFKDSLTTLP MGGAKGGSDF DPNGKSDREV MRFCQAFMTE DATA SEQUENCE LYRHIGPDID VPAGDLGVGA REIGYMYGQY RKIVGGFYNG VLTGKARSFG DATA SEQUENCE GSLVRPEATG YGSVYYVEAV MKHENDTLVG KTVALAGFGN VAWGAAKKLA DATA SEQUENCE ELGAKAVTLS GPDGYIYDPE GITTEEKINY MLEMRASGRN KVQDYADKFG DATA SEQUENCE VQFFPGEKPW GQKVDIIMPC ATQNDVDLEQ AKKIVANNVK YYIEVANMPT DATA SEQUENCE TNEALRFLMQ QPNMVVAPSK AVNAGGVLVS GFEMSQNSER LSWTAEEVDS DATA SEQUENCE KLHQVMTDIH DGSAAAAERY GLGYNLVAGA NIVGFQKIAD AMMAQGIAW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.631 174.600 0.052 0.000 1.055 1 S CA 0.000 58.218 58.200 0.030 0.000 1.107 1 S CB 0.000 63.213 63.200 0.022 0.000 0.593 2 K N 2.083 122.535 120.400 0.087 0.000 2.167 2 K HA -0.043 4.278 4.320 0.001 0.000 0.203 2 K C 1.558 178.255 176.600 0.161 0.000 1.052 2 K CA 0.904 57.248 56.287 0.096 0.000 0.956 2 K CB -0.302 32.242 32.500 0.073 0.000 0.735 2 K HN 0.686 nan 8.250 nan 0.000 0.451 3 Y N 1.769 122.091 120.300 0.037 0.000 2.089 3 Y HA -0.218 4.333 4.550 0.001 0.000 0.282 3 Y C 1.980 177.906 175.900 0.044 0.000 1.139 3 Y CA 1.084 59.216 58.100 0.053 0.000 1.123 3 Y CB -0.835 37.673 38.460 0.079 0.000 0.980 3 Y HN -0.206 nan 8.280 nan 0.000 0.493 4 V N 1.212 121.100 119.914 -0.043 0.000 2.278 4 V HA -0.376 3.744 4.120 0.001 0.000 0.251 4 V C 2.301 178.358 176.094 -0.062 0.000 1.062 4 V CA 2.365 64.570 62.300 -0.159 0.000 1.038 4 V CB -0.813 30.919 31.823 -0.151 0.000 0.646 4 V HN 0.360 nan 8.190 nan 0.000 0.447 5 D N -0.607 119.789 120.400 -0.007 0.000 2.104 5 D HA -0.205 4.435 4.640 0.001 0.000 0.194 5 D C 2.276 178.592 176.300 0.026 0.000 0.994 5 D CA 1.767 55.769 54.000 0.004 0.000 0.830 5 D CB -0.337 40.473 40.800 0.016 0.000 0.959 5 D HN 0.430 nan 8.370 nan 0.000 0.452 6 R N 0.703 121.246 120.500 0.070 0.000 2.073 6 R HA -0.117 4.224 4.340 0.001 0.000 0.234 6 R C 2.185 178.539 176.300 0.089 0.000 1.134 6 R CA 1.216 57.374 56.100 0.096 0.000 0.952 6 R CB -0.372 30.023 30.300 0.157 0.000 0.850 6 R HN 0.013 nan 8.270 nan 0.000 0.433 7 V N 1.304 121.269 119.914 0.086 0.000 2.287 7 V HA -0.269 3.851 4.120 0.001 0.000 0.248 7 V C 2.377 178.487 176.094 0.026 0.000 1.053 7 V CA 2.014 64.350 62.300 0.061 0.000 1.027 7 V CB -0.428 31.396 31.823 0.001 0.000 0.646 7 V HN 0.313 nan 8.190 nan 0.000 0.447 8 I N 0.634 121.194 120.570 -0.016 0.000 2.194 8 I HA -0.284 3.887 4.170 0.001 0.000 0.246 8 I C 2.560 178.671 176.117 -0.011 0.000 1.093 8 I CA 1.805 63.083 61.300 -0.037 0.000 1.355 8 I CB -0.605 37.360 38.000 -0.060 0.000 1.046 8 I HN 0.256 nan 8.210 nan 0.000 0.413 9 A N -0.268 122.556 122.820 0.007 0.000 1.930 9 A HA -0.222 4.099 4.320 0.001 0.000 0.217 9 A C 2.249 179.849 177.584 0.026 0.000 1.175 9 A CA 1.730 53.775 52.037 0.013 0.000 0.627 9 A CB -0.556 18.455 19.000 0.018 0.000 0.815 9 A HN 0.446 nan 8.150 nan 0.000 0.443 10 E N -0.548 119.679 120.200 0.045 0.000 2.072 10 E HA -0.099 4.252 4.350 0.001 0.000 0.191 10 E C 1.933 178.576 176.600 0.072 0.000 0.985 10 E CA 1.161 57.594 56.400 0.054 0.000 0.801 10 E CB -0.175 29.573 29.700 0.080 0.000 0.750 10 E HN 0.348 nan 8.360 nan 0.000 0.452 11 V N 1.093 121.077 119.914 0.117 0.000 2.407 11 V HA -0.274 3.847 4.120 0.001 0.000 0.248 11 V C 2.090 178.294 176.094 0.185 0.000 1.055 11 V CA 1.857 64.301 62.300 0.241 0.000 1.049 11 V CB -0.366 31.529 31.823 0.120 0.000 0.662 11 V HN 0.258 nan 8.190 nan 0.000 0.455 12 E N -0.401 119.839 120.200 0.067 0.000 2.077 12 E HA -0.259 4.091 4.350 0.001 0.000 0.193 12 E C 2.241 178.858 176.600 0.029 0.000 0.989 12 E CA 1.345 57.768 56.400 0.038 0.000 0.800 12 E CB 0.001 29.704 29.700 0.005 0.000 0.746 12 E HN 0.398 nan 8.360 nan 0.000 0.452 13 K N 0.705 121.110 120.400 0.008 0.000 2.031 13 K HA -0.050 4.270 4.320 0.001 0.000 0.205 13 K C 1.947 178.511 176.600 -0.059 0.000 1.049 13 K CA 1.032 57.309 56.287 -0.017 0.000 0.939 13 K CB 0.063 32.551 32.500 -0.019 0.000 0.717 13 K HN -0.138 nan 8.250 nan 0.000 0.438 14 K N -0.780 119.550 120.400 -0.117 0.000 2.026 14 K HA -0.120 4.201 4.320 0.001 0.000 0.208 14 K C 0.437 176.746 176.600 -0.485 0.000 1.048 14 K CA 1.437 57.516 56.287 -0.348 0.000 0.929 14 K CB 0.070 32.245 32.500 -0.541 0.000 0.713 14 K HN 0.171 nan 8.250 nan 0.000 0.439 15 Y N -0.380 119.969 120.300 0.082 0.000 2.774 15 Y HA 0.301 4.852 4.550 0.001 0.000 0.305 15 Y C 1.113 177.064 175.900 0.085 0.000 1.067 15 Y CA -0.270 57.898 58.100 0.113 0.000 1.304 15 Y CB 0.158 38.759 38.460 0.235 0.000 1.209 15 Y HN 0.067 nan 8.280 nan 0.000 0.543 16 A N 0.735 123.624 122.820 0.114 0.000 1.940 16 A HA -0.310 4.010 4.320 0.001 0.000 0.221 16 A C 2.131 179.770 177.584 0.091 0.000 1.190 16 A CA 2.420 54.504 52.037 0.079 0.000 0.647 16 A CB -0.524 18.497 19.000 0.035 0.000 0.821 16 A HN 0.613 nan 8.150 nan 0.000 0.457 17 D N 0.211 120.673 120.400 0.104 0.000 2.351 17 D HA -0.128 4.512 4.640 0.001 0.000 0.216 17 D C 0.234 176.607 176.300 0.121 0.000 0.968 17 D CA 1.144 55.203 54.000 0.098 0.000 0.899 17 D CB -0.434 40.416 40.800 0.084 0.000 0.907 17 D HN 0.680 nan 8.370 nan 0.000 0.514 18 E N 0.795 121.100 120.200 0.175 0.000 3.406 18 E HA 0.180 4.530 4.350 0.001 0.000 0.210 18 E C -2.012 174.691 176.600 0.173 0.000 1.167 18 E CA -1.758 54.756 56.400 0.191 0.000 1.132 18 E CB 1.466 31.318 29.700 0.254 0.000 1.309 18 E HN 0.094 nan 8.360 nan 0.000 0.424 19 P HA -0.239 nan 4.420 nan 0.000 0.216 19 P C 0.865 178.155 177.300 -0.017 0.000 1.157 19 P CA 1.398 64.516 63.100 0.030 0.000 0.880 19 P CB 0.360 32.065 31.700 0.008 0.000 0.791 20 E N -1.134 119.057 120.200 -0.015 0.000 2.085 20 E HA -0.175 4.175 4.350 0.001 0.000 0.194 20 E C 1.857 178.420 176.600 -0.062 0.000 0.994 20 E CA 1.015 57.326 56.400 -0.147 0.000 0.801 20 E CB -1.095 28.538 29.700 -0.111 0.000 0.743 20 E HN 0.259 nan 8.360 nan 0.000 0.453 21 F N 0.681 120.636 119.950 0.009 0.000 2.146 21 F HA -0.148 4.379 4.527 0.001 0.000 0.298 21 F C 1.997 177.754 175.800 -0.073 0.000 1.096 21 F CA 0.833 58.852 58.000 0.032 0.000 1.275 21 F CB -0.395 38.613 39.000 0.013 0.000 1.008 21 F HN -0.163 nan 8.300 nan 0.000 0.480 22 V N 0.846 120.623 119.914 -0.228 0.000 2.282 22 V HA -0.340 3.780 4.120 0.001 0.000 0.249 22 V C 2.603 178.523 176.094 -0.290 0.000 1.057 22 V CA 2.384 64.511 62.300 -0.289 0.000 1.032 22 V CB -0.762 31.025 31.823 -0.060 0.000 0.645 22 V HN 0.455 nan 8.190 nan 0.000 0.447 23 Q N -0.498 119.175 119.800 -0.211 0.000 2.084 23 Q HA -0.201 4.140 4.340 0.001 0.000 0.202 23 Q C 2.291 178.173 176.000 -0.197 0.000 0.978 23 Q CA 2.345 58.034 55.803 -0.189 0.000 0.844 23 Q CB -0.303 28.323 28.738 -0.187 0.000 0.898 23 Q HN 0.670 nan 8.270 nan 0.000 0.426 24 T N 0.334 114.763 114.554 -0.209 0.000 2.821 24 T HA -0.068 4.282 4.350 0.001 0.000 0.267 24 T C 1.959 176.601 174.700 -0.097 0.000 1.046 24 T CA 1.070 63.123 62.100 -0.079 0.000 1.139 24 T CB -0.127 68.826 68.868 0.142 0.000 0.871 24 T HN 0.053 nan 8.240 nan 0.000 0.454 25 V N 1.410 121.095 119.914 -0.382 0.000 2.295 25 V HA -0.184 3.937 4.120 0.001 0.000 0.246 25 V C 2.540 178.510 176.094 -0.205 0.000 1.049 25 V CA 1.993 64.037 62.300 -0.428 0.000 1.024 25 V CB -0.509 30.845 31.823 -0.781 0.000 0.648 25 V HN 0.551 nan 8.190 nan 0.000 0.447 26 E N 0.064 120.139 120.200 -0.208 0.000 2.085 26 E HA -0.311 4.040 4.350 0.001 0.000 0.194 26 E C 2.252 178.780 176.600 -0.120 0.000 0.994 26 E CA 1.799 58.113 56.400 -0.144 0.000 0.801 26 E CB -0.168 29.455 29.700 -0.129 0.000 0.743 26 E HN 0.739 nan 8.360 nan 0.000 0.453 27 E N -0.207 119.927 120.200 -0.110 0.000 2.077 27 E HA -0.177 4.174 4.350 0.001 0.000 0.193 27 E C 2.042 178.576 176.600 -0.111 0.000 0.989 27 E CA 1.507 57.849 56.400 -0.097 0.000 0.800 27 E CB 0.115 29.767 29.700 -0.080 0.000 0.746 27 E HN 0.195 nan 8.360 nan 0.000 0.452 28 V N 1.220 121.079 119.914 -0.092 0.000 2.323 28 V HA -0.201 3.920 4.120 0.001 0.000 0.244 28 V C 2.455 178.397 176.094 -0.253 0.000 1.041 28 V CA 1.233 63.425 62.300 -0.180 0.000 1.025 28 V CB -0.349 31.396 31.823 -0.130 0.000 0.656 28 V HN 0.355 nan 8.190 nan 0.000 0.451 29 L N 0.787 121.906 121.223 -0.173 0.000 2.056 29 L HA -0.131 4.209 4.340 0.001 0.000 0.207 29 L C 2.774 179.509 176.870 -0.225 0.000 1.078 29 L CA 1.943 56.652 54.840 -0.218 0.000 0.749 29 L CB -0.824 41.146 42.059 -0.148 0.000 0.901 29 L HN 0.582 nan 8.230 nan 0.000 0.433 30 S N -0.707 114.891 115.700 -0.169 0.000 2.440 30 S HA -0.175 4.295 4.470 0.001 0.000 0.238 30 S C 1.942 176.447 174.600 -0.159 0.000 1.010 30 S CA 1.263 59.376 58.200 -0.145 0.000 0.972 30 S CB -0.501 62.633 63.200 -0.109 0.000 0.774 30 S HN 0.500 nan 8.310 nan 0.000 0.501 31 S N 0.426 116.012 115.700 -0.190 0.000 2.650 31 S HA 0.296 4.766 4.470 0.001 0.000 0.219 31 S C 1.094 175.546 174.600 -0.248 0.000 0.960 31 S CA -0.250 57.835 58.200 -0.191 0.000 0.925 31 S CB -0.529 62.562 63.200 -0.182 0.000 0.775 31 S HN 0.599 nan 8.310 nan 0.000 0.525 32 L N 0.233 121.270 121.223 -0.311 0.000 2.766 32 L HA 0.436 4.776 4.340 0.001 0.000 0.242 32 L C 2.412 179.099 176.870 -0.305 0.000 1.136 32 L CA 0.120 54.715 54.840 -0.407 0.000 0.933 32 L CB -0.402 41.221 42.059 -0.726 0.000 1.241 32 L HN 0.408 nan 8.230 nan 0.000 0.522 33 G N 2.436 111.116 108.800 -0.199 0.000 2.606 33 G HA2 -0.246 3.715 3.960 0.001 0.000 0.221 33 G HA3 -0.246 3.715 3.960 0.001 0.000 0.221 33 G C -0.579 174.275 174.900 -0.077 0.000 1.152 33 G CA 1.193 46.223 45.100 -0.116 0.000 0.765 33 G HN 0.302 nan 8.290 nan 0.000 0.595 34 P HA -0.004 nan 4.420 nan 0.000 0.219 34 P C 2.073 179.329 177.300 -0.073 0.000 1.150 34 P CA 1.020 64.097 63.100 -0.039 0.000 0.814 34 P CB -0.208 31.495 31.700 0.004 0.000 0.787 35 V N -0.301 119.430 119.914 -0.305 0.000 2.358 35 V HA -0.169 3.952 4.120 0.001 0.000 0.246 35 V C 2.672 178.926 176.094 0.267 0.000 1.047 35 V CA 1.513 63.671 62.300 -0.237 0.000 1.035 35 V CB -1.470 30.183 31.823 -0.283 0.000 0.658 35 V HN -0.059 nan 8.190 nan 0.000 0.452 36 V N 0.519 120.515 119.914 0.137 0.000 2.233 36 V HA -0.278 3.843 4.120 0.001 0.000 0.247 36 V C 2.414 178.631 176.094 0.205 0.000 1.050 36 V CA 2.370 64.822 62.300 0.253 0.000 1.010 36 V CB -0.778 31.114 31.823 0.114 0.000 0.637 36 V HN 0.525 nan 8.190 nan 0.000 0.444 37 D N 0.512 120.983 120.400 0.120 0.000 2.158 37 D HA -0.172 4.468 4.640 0.001 0.000 0.197 37 D C 2.041 178.373 176.300 0.053 0.000 0.995 37 D CA 1.782 55.835 54.000 0.088 0.000 0.846 37 D CB -0.253 40.584 40.800 0.061 0.000 0.941 37 D HN 0.489 nan 8.370 nan 0.000 0.456 38 A N 0.042 122.905 122.820 0.071 0.000 2.209 38 A HA -0.092 4.229 4.320 0.001 0.000 0.212 38 A C 0.537 177.854 177.584 -0.444 0.000 1.158 38 A CA 0.635 52.617 52.037 -0.091 0.000 0.742 38 A CB -0.178 18.857 19.000 0.058 0.000 0.790 38 A HN 0.289 nan 8.150 nan 0.000 0.472 39 H N -0.755 118.240 119.070 -0.124 0.000 2.380 39 H HA 0.159 4.715 4.556 0.001 0.000 0.231 39 H C -2.116 173.036 175.328 -0.294 0.000 1.415 39 H CA -1.395 54.410 56.048 -0.404 0.000 1.433 39 H CB 0.717 29.759 29.762 -1.199 0.000 1.544 39 H HN 0.283 nan 8.280 nan 0.000 0.503 40 P HA -0.212 nan 4.420 nan 0.000 0.218 40 P C 1.529 178.856 177.300 0.046 0.000 1.146 40 P CA 1.167 64.279 63.100 0.021 0.000 0.813 40 P CB 0.398 32.095 31.700 -0.005 0.000 0.778 41 E N -0.902 119.315 120.200 0.029 0.000 2.268 41 E HA -0.199 4.151 4.350 0.001 0.000 0.195 41 E C 1.604 178.365 176.600 0.269 0.000 0.995 41 E CA 1.007 57.474 56.400 0.112 0.000 0.836 41 E CB -1.181 28.585 29.700 0.110 0.000 0.763 41 E HN 0.224 nan 8.360 nan 0.000 0.491 42 Y N 1.979 122.404 120.300 0.207 0.000 2.128 42 Y HA -0.130 4.420 4.550 0.001 0.000 0.284 42 Y C 2.406 178.453 175.900 0.245 0.000 1.154 42 Y CA 1.170 59.421 58.100 0.252 0.000 1.149 42 Y CB -0.840 37.844 38.460 0.375 0.000 0.976 42 Y HN 0.251 nan 8.280 nan 0.000 0.505 43 E N 0.382 120.794 120.200 0.353 0.000 2.204 43 E HA -0.206 4.145 4.350 0.001 0.000 0.194 43 E C 1.728 178.272 176.600 -0.093 0.000 0.989 43 E CA 0.965 57.275 56.400 -0.151 0.000 0.824 43 E CB -0.017 29.267 29.700 -0.693 0.000 0.756 43 E HN 0.558 nan 8.360 nan 0.000 0.477 44 E N -0.194 120.021 120.200 0.025 0.000 2.204 44 E HA -0.129 4.222 4.350 0.001 0.000 0.194 44 E C 1.683 178.321 176.600 0.064 0.000 0.989 44 E CA 1.245 57.664 56.400 0.031 0.000 0.824 44 E CB 0.344 30.078 29.700 0.056 0.000 0.756 44 E HN 0.268 nan 8.360 nan 0.000 0.477 45 V N -3.065 116.918 119.914 0.115 0.000 3.271 45 V HA 0.526 4.646 4.120 0.001 0.000 0.327 45 V C 0.630 176.810 176.094 0.144 0.000 1.389 45 V CA 0.106 62.479 62.300 0.122 0.000 1.156 45 V CB -0.170 31.733 31.823 0.134 0.000 1.103 45 V HN 0.127 nan 8.190 nan 0.000 0.453 46 A N 0.285 123.195 122.820 0.151 0.000 2.704 46 A HA -0.279 4.042 4.320 0.001 0.000 0.299 46 A C 1.203 178.945 177.584 0.264 0.000 1.507 46 A CA 1.428 53.589 52.037 0.207 0.000 0.776 46 A CB -2.051 17.044 19.000 0.159 0.000 1.027 46 A HN 1.032 nan 8.150 nan 0.000 0.475 47 L N -0.857 120.544 121.223 0.297 0.000 2.012 47 L HA -0.162 4.179 4.340 0.001 0.000 0.210 47 L C 2.376 179.381 176.870 0.225 0.000 1.073 47 L CA 2.584 57.553 54.840 0.215 0.000 0.748 47 L CB -0.191 41.924 42.059 0.094 0.000 0.891 47 L HN 0.668 nan 8.230 nan 0.000 0.431 48 L N -0.998 120.394 121.223 0.282 0.000 2.093 48 L HA -0.177 4.164 4.340 0.001 0.000 0.208 48 L C 2.465 179.466 176.870 0.219 0.000 1.085 48 L CA 1.080 56.024 54.840 0.173 0.000 0.755 48 L CB -0.708 41.280 42.059 -0.118 0.000 0.904 48 L HN 0.280 nan 8.230 nan 0.000 0.435 49 E N 0.182 120.541 120.200 0.264 0.000 2.110 49 E HA -0.179 4.172 4.350 0.001 0.000 0.193 49 E C 2.295 179.036 176.600 0.235 0.000 0.988 49 E CA 1.043 57.588 56.400 0.242 0.000 0.804 49 E CB -0.065 29.777 29.700 0.236 0.000 0.745 49 E HN 0.365 nan 8.360 nan 0.000 0.458 50 R N -0.021 120.616 120.500 0.229 0.000 2.062 50 R HA 0.047 4.387 4.340 0.001 0.000 0.229 50 R C 2.401 178.854 176.300 0.254 0.000 1.128 50 R CA 1.404 57.637 56.100 0.222 0.000 0.960 50 R CB -0.296 30.125 30.300 0.202 0.000 0.855 50 R HN 0.227 nan 8.270 nan 0.000 0.432 51 M N 1.096 120.862 119.600 0.276 0.000 2.260 51 M HA -0.135 4.345 4.480 0.001 0.000 0.261 51 M C 2.276 178.922 176.300 0.577 0.000 1.066 51 M CA 1.467 56.989 55.300 0.369 0.000 1.082 51 M CB -0.485 32.340 32.600 0.375 0.000 1.388 51 M HN 0.130 nan 8.290 nan 0.000 0.419 52 V N -2.131 118.061 119.914 0.463 0.000 3.306 52 V HA 0.131 4.252 4.120 0.001 0.000 0.264 52 V C 0.945 177.309 176.094 0.450 0.000 1.149 52 V CA 0.506 63.089 62.300 0.470 0.000 1.143 52 V CB -0.697 31.279 31.823 0.255 0.000 0.767 52 V HN 0.285 nan 8.190 nan 0.000 0.476 53 I N 2.997 123.733 120.570 0.277 0.000 2.355 53 I HA 0.445 4.615 4.170 0.001 0.000 0.288 53 I C -2.330 173.644 176.117 -0.237 0.000 0.999 53 I CA -2.313 58.986 61.300 -0.002 0.000 1.163 53 I CB 1.710 39.755 38.000 0.075 0.000 1.316 53 I HN 0.058 nan 8.210 nan 0.000 0.454 54 P HA 0.026 nan 4.420 nan 0.000 0.267 54 P C 0.339 177.341 177.300 -0.497 0.000 1.201 54 P CA 0.064 62.540 63.100 -1.040 0.000 0.775 54 P CB 0.802 31.753 31.700 -1.248 0.000 0.854 55 E N 0.736 120.637 120.200 -0.499 0.000 2.058 55 E HA -0.148 4.202 4.350 0.001 0.000 0.194 55 E C 0.867 177.172 176.600 -0.491 0.000 0.997 55 E CA 1.225 57.165 56.400 -0.766 0.000 0.801 55 E CB 0.114 29.104 29.700 -1.183 0.000 0.746 55 E HN 0.345 nan 8.360 nan 0.000 0.450 56 R N -0.133 120.114 120.500 -0.421 0.000 2.584 56 R HA 0.376 4.717 4.340 0.001 0.000 0.276 56 R C -1.961 174.158 176.300 -0.301 0.000 1.046 56 R CA -0.376 55.558 56.100 -0.277 0.000 0.906 56 R CB 2.004 32.148 30.300 -0.261 0.000 1.215 56 R HN -0.132 nan 8.270 nan 0.000 0.449 57 V N 5.469 125.253 119.914 -0.215 0.000 2.588 57 V HA 0.567 4.687 4.120 0.001 0.000 0.304 57 V C -0.636 175.370 176.094 -0.147 0.000 1.042 57 V CA -0.707 61.484 62.300 -0.182 0.000 0.877 57 V CB 1.944 33.676 31.823 -0.151 0.000 0.996 57 V HN 0.601 nan 8.190 nan 0.000 0.425 58 I N 3.959 124.444 120.570 -0.140 0.000 2.466 58 I HA 0.525 4.696 4.170 0.001 0.000 0.289 58 I C -0.229 175.855 176.117 -0.056 0.000 1.026 58 I CA -0.142 61.070 61.300 -0.147 0.000 1.078 58 I CB 1.998 39.785 38.000 -0.354 0.000 1.249 58 I HN 0.603 nan 8.210 nan 0.000 0.429 59 E N 6.188 126.344 120.200 -0.074 0.000 2.288 59 E HA 0.757 5.108 4.350 0.001 0.000 0.268 59 E C -1.489 175.060 176.600 -0.085 0.000 0.885 59 E CA -0.777 55.466 56.400 -0.262 0.000 0.767 59 E CB 2.711 32.201 29.700 -0.350 0.000 1.220 59 E HN 0.422 nan 8.360 nan 0.000 0.427 60 F N -1.486 118.319 119.950 -0.243 0.000 2.668 60 F HA 0.499 5.027 4.527 0.001 0.000 0.309 60 F C -0.718 175.015 175.800 -0.111 0.000 1.117 60 F CA -1.403 56.505 58.000 -0.154 0.000 0.951 60 F CB 0.994 39.910 39.000 -0.141 0.000 1.323 60 F HN 0.202 nan 8.300 nan 0.000 0.451 61 R N 1.299 121.878 120.500 0.133 0.000 2.438 61 R HA 0.637 4.978 4.340 0.001 0.000 0.287 61 R C -1.571 174.837 176.300 0.180 0.000 1.077 61 R CA -0.338 55.818 56.100 0.093 0.000 1.034 61 R CB 1.100 31.445 30.300 0.075 0.000 0.993 61 R HN 0.723 nan 8.270 nan 0.000 0.459 62 V N 6.990 127.005 119.914 0.169 0.000 2.320 62 V HA 0.305 4.425 4.120 0.001 0.000 0.268 62 V C -2.316 173.962 176.094 0.306 0.000 1.021 62 V CA -1.744 60.683 62.300 0.211 0.000 0.813 62 V CB 1.063 32.982 31.823 0.159 0.000 1.054 62 V HN 0.804 nan 8.190 nan 0.000 0.444 63 P HA 0.428 nan 4.420 nan 0.000 0.288 63 P C -0.832 176.646 177.300 0.298 0.000 1.267 63 P CA -0.177 63.039 63.100 0.195 0.000 0.815 63 P CB 1.113 32.862 31.700 0.083 0.000 0.989 64 W N 1.619 123.002 121.300 0.139 0.000 3.213 64 W HA 0.508 5.169 4.660 0.001 0.000 0.318 64 W C -1.675 174.962 176.519 0.196 0.000 1.248 64 W CA -0.910 56.525 57.345 0.151 0.000 1.187 64 W CB 1.049 30.627 29.460 0.196 0.000 1.403 64 W HN 0.401 nan 8.180 nan 0.000 0.556 65 E N 2.506 122.866 120.200 0.267 0.000 2.151 65 E HA 0.227 4.578 4.350 0.001 0.000 0.275 65 E C -0.216 176.547 176.600 0.271 0.000 0.936 65 E CA -0.426 56.038 56.400 0.106 0.000 0.777 65 E CB 1.350 31.101 29.700 0.085 0.000 1.108 65 E HN 0.355 nan 8.360 nan 0.000 0.401 66 D N 3.103 123.604 120.400 0.169 0.000 2.447 66 D HA 0.017 4.657 4.640 0.001 0.000 0.265 66 D C 0.380 176.807 176.300 0.211 0.000 1.250 66 D CA -0.289 53.903 54.000 0.319 0.000 1.046 66 D CB 0.510 41.492 40.800 0.302 0.000 1.095 66 D HN 0.316 nan 8.370 nan 0.000 0.555 67 D N -1.127 119.389 120.400 0.194 0.000 2.263 67 D HA -0.124 4.516 4.640 0.001 0.000 0.208 67 D C 0.705 177.058 176.300 0.087 0.000 0.971 67 D CA 0.997 55.073 54.000 0.127 0.000 0.867 67 D CB -0.401 40.465 40.800 0.110 0.000 0.929 67 D HN 0.492 nan 8.370 nan 0.000 0.492 68 N N -0.760 117.991 118.700 0.084 0.000 2.322 68 N HA 0.193 4.933 4.740 0.001 0.000 0.194 68 N C 1.029 176.557 175.510 0.030 0.000 1.126 68 N CA 0.322 53.403 53.050 0.052 0.000 0.845 68 N CB 0.907 39.424 38.487 0.049 0.000 0.976 68 N HN 0.095 nan 8.380 nan 0.000 0.475 69 G N 1.483 110.304 108.800 0.034 0.000 2.162 69 G HA2 -0.356 3.605 3.960 0.001 0.000 0.260 69 G HA3 -0.356 3.605 3.960 0.001 0.000 0.260 69 G C 0.155 175.027 174.900 -0.046 0.000 0.976 69 G CA 0.209 45.311 45.100 0.004 0.000 0.655 69 G HN 0.394 nan 8.290 nan 0.000 0.533 70 K N 0.342 120.703 120.400 -0.066 0.000 2.218 70 K HA 0.557 4.878 4.320 0.001 0.000 0.276 70 K C 0.367 176.749 176.600 -0.363 0.000 1.022 70 K CA -0.564 55.609 56.287 -0.190 0.000 0.946 70 K CB 0.940 33.337 32.500 -0.172 0.000 1.000 70 K HN 0.029 nan 8.250 nan 0.000 0.468 71 V N 5.194 124.843 119.914 -0.442 0.000 2.439 71 V HA 0.235 4.355 4.120 0.001 0.000 0.282 71 V C -0.130 175.479 176.094 -0.807 0.000 1.039 71 V CA -0.580 61.425 62.300 -0.492 0.000 0.913 71 V CB 1.019 32.686 31.823 -0.260 0.000 0.983 71 V HN 0.789 nan 8.190 nan 0.000 0.460 72 H N 2.628 121.322 119.070 -0.626 0.000 2.670 72 H HA 0.764 5.320 4.556 0.001 0.000 0.361 72 H C -1.079 174.035 175.328 -0.357 0.000 1.169 72 H CA -0.577 55.114 56.048 -0.594 0.000 1.198 72 H CB 2.467 31.572 29.762 -1.095 0.000 1.700 72 H HN 0.425 nan 8.280 nan 0.000 0.542 73 V N 1.853 121.810 119.914 0.072 0.000 2.686 73 V HA 0.323 4.444 4.120 0.001 0.000 0.306 73 V C -0.464 175.811 176.094 0.302 0.000 1.065 73 V CA -0.895 61.516 62.300 0.185 0.000 0.894 73 V CB 1.766 33.644 31.823 0.092 0.000 1.004 73 V HN 0.748 nan 8.190 nan 0.000 0.424 74 N N 0.827 119.766 118.700 0.398 0.000 2.629 74 N HA 0.756 5.497 4.740 0.001 0.000 0.279 74 N C -0.981 174.647 175.510 0.197 0.000 1.344 74 N CA -0.760 52.495 53.050 0.342 0.000 0.789 74 N CB 2.101 40.881 38.487 0.487 0.000 1.508 74 N HN 0.697 nan 8.380 nan 0.000 0.516 75 T N -0.154 114.461 114.554 0.102 0.000 2.797 75 T HA 0.637 4.988 4.350 0.001 0.000 0.279 75 T C 0.005 174.572 174.700 -0.222 0.000 0.991 75 T CA -0.762 61.254 62.100 -0.139 0.000 0.979 75 T CB 1.200 69.941 68.868 -0.213 0.000 0.943 75 T HN 0.527 nan 8.240 nan 0.000 0.444 76 G N 1.636 110.041 108.800 -0.659 0.000 2.400 76 G HA2 0.659 4.619 3.960 0.001 0.000 0.333 76 G HA3 0.659 4.619 3.960 0.001 0.000 0.333 76 G C -1.712 172.532 174.900 -1.094 0.000 1.143 76 G CA -0.457 44.160 45.100 -0.806 0.000 0.914 76 G HN 0.587 nan 8.290 nan 0.000 0.480 77 Y N -0.255 119.890 120.300 -0.259 0.000 2.553 77 Y HA 0.763 5.313 4.550 0.001 0.000 0.347 77 Y C 0.155 176.092 175.900 0.062 0.000 1.019 77 Y CA -1.139 56.895 58.100 -0.110 0.000 1.032 77 Y CB 3.007 41.448 38.460 -0.031 0.000 1.284 77 Y HN 0.585 nan 8.280 nan 0.000 0.466 78 R N 0.902 121.517 120.500 0.191 0.000 2.549 78 R HA 0.616 4.957 4.340 0.001 0.000 0.291 78 R C -2.589 173.697 176.300 -0.023 0.000 1.164 78 R CA -0.356 55.805 56.100 0.102 0.000 0.973 78 R CB 1.122 31.471 30.300 0.081 0.000 1.210 78 R HN 0.512 nan 8.270 nan 0.000 0.422 79 V N 5.824 125.716 119.914 -0.037 0.000 2.318 79 V HA 0.326 4.447 4.120 0.001 0.000 0.271 79 V C -0.109 175.883 176.094 -0.169 0.000 1.030 79 V CA -0.422 61.805 62.300 -0.121 0.000 0.844 79 V CB 1.451 33.229 31.823 -0.076 0.000 1.015 79 V HN 0.673 nan 8.190 nan 0.000 0.460 80 Q N 4.095 123.681 119.800 -0.357 0.000 2.571 80 Q HA 0.269 4.610 4.340 0.001 0.000 0.222 80 Q C 0.353 176.138 176.000 -0.357 0.000 1.167 80 Q CA -0.351 55.080 55.803 -0.620 0.000 0.966 80 Q CB 0.610 28.538 28.738 -1.350 0.000 1.274 80 Q HN 0.733 nan 8.270 nan 0.000 0.552 81 F N 1.425 121.288 119.950 -0.144 0.000 2.051 81 F HA -0.091 4.437 4.527 0.001 0.000 0.296 81 F C 0.959 176.730 175.800 -0.048 0.000 1.122 81 F CA 1.247 59.201 58.000 -0.076 0.000 1.201 81 F CB 0.472 39.459 39.000 -0.023 0.000 0.978 81 F HN 0.401 nan 8.300 nan 0.000 0.472 82 N N -1.236 117.631 118.700 0.278 0.000 2.425 82 N HA 0.271 5.012 4.740 0.001 0.000 0.289 82 N C -0.342 175.125 175.510 -0.071 0.000 1.074 82 N CA 0.359 53.452 53.050 0.072 0.000 0.905 82 N CB 1.714 40.178 38.487 -0.038 0.000 1.586 82 N HN 0.154 nan 8.380 nan 0.000 0.490 83 G N 1.037 109.673 108.800 -0.273 0.000 4.100 83 G HA2 0.359 4.319 3.960 0.001 0.000 0.294 83 G HA3 0.359 4.319 3.960 0.001 0.000 0.294 83 G C 0.925 175.645 174.900 -0.300 0.000 1.040 83 G CA 0.353 45.118 45.100 -0.558 0.000 0.829 83 G HN 0.619 nan 8.290 nan 0.000 0.505 84 A N 0.976 123.685 122.820 -0.186 0.000 1.969 84 A HA 0.062 4.383 4.320 0.001 0.000 0.218 84 A C 2.095 179.616 177.584 -0.106 0.000 1.169 84 A CA 1.557 53.529 52.037 -0.108 0.000 0.635 84 A CB -0.254 18.695 19.000 -0.084 0.000 0.810 84 A HN 0.888 nan 8.150 nan 0.000 0.445 85 I N -5.542 114.949 120.570 -0.132 0.000 4.018 85 I HA 0.580 4.750 4.170 0.001 0.000 0.337 85 I C 0.692 176.749 176.117 -0.099 0.000 1.327 85 I CA 0.293 61.532 61.300 -0.101 0.000 1.100 85 I CB 0.461 38.406 38.000 -0.092 0.000 1.025 85 I HN 0.208 nan 8.210 nan 0.000 0.396 86 G N 0.976 109.690 108.800 -0.143 0.000 2.430 86 G HA2 0.426 4.387 3.960 0.001 0.000 0.300 86 G HA3 0.426 4.387 3.960 0.001 0.000 0.300 86 G C -3.331 171.444 174.900 -0.208 0.000 1.330 86 G CA -0.869 44.154 45.100 -0.128 0.000 0.813 86 G HN -0.181 nan 8.290 nan 0.000 0.487 87 P HA 0.300 nan 4.420 nan 0.000 0.272 87 P C -0.673 176.509 177.300 -0.196 0.000 1.223 87 P CA -0.153 62.832 63.100 -0.191 0.000 0.784 87 P CB 0.159 31.824 31.700 -0.058 0.000 0.923 88 Y N 0.689 120.966 120.300 -0.039 0.000 2.683 88 Y HA 0.189 4.739 4.550 0.001 0.000 0.340 88 Y C 1.331 177.205 175.900 -0.042 0.000 1.245 88 Y CA 0.824 58.895 58.100 -0.048 0.000 1.485 88 Y CB 0.133 38.566 38.460 -0.044 0.000 1.328 88 Y HN 0.303 nan 8.280 nan 0.000 0.603 89 K N 0.806 121.265 120.400 0.099 0.000 2.543 89 K HA 0.752 5.072 4.320 0.001 0.000 0.255 89 K C -0.990 175.618 176.600 0.014 0.000 0.934 89 K CA -0.276 56.029 56.287 0.030 0.000 0.810 89 K CB 1.961 34.450 32.500 -0.017 0.000 1.315 89 K HN 0.931 nan 8.250 nan 0.000 0.433 90 G N 1.017 109.818 108.800 0.001 0.000 2.384 90 G HA2 0.419 4.380 3.960 0.001 0.000 0.300 90 G HA3 0.419 4.380 3.960 0.001 0.000 0.300 90 G C -0.697 174.194 174.900 -0.015 0.000 1.582 90 G CA -0.397 44.694 45.100 -0.015 0.000 0.875 90 G HN 0.759 nan 8.290 nan 0.000 0.628 91 G N -1.196 107.582 108.800 -0.037 0.000 2.616 91 G HA2 0.621 4.582 3.960 0.001 0.000 0.268 91 G HA3 0.621 4.582 3.960 0.001 0.000 0.268 91 G C -0.269 174.612 174.900 -0.033 0.000 1.213 91 G CA -0.653 44.418 45.100 -0.048 0.000 0.926 91 G HN 0.774 nan 8.290 nan 0.000 0.523 92 L N -0.319 120.861 121.223 -0.071 0.000 2.346 92 L HA 0.586 4.926 4.340 0.001 0.000 0.276 92 L C 0.285 177.043 176.870 -0.187 0.000 1.006 92 L CA -0.785 54.010 54.840 -0.075 0.000 0.817 92 L CB 2.151 44.147 42.059 -0.106 0.000 1.272 92 L HN 0.564 nan 8.230 nan 0.000 0.421 93 R N 2.398 122.854 120.500 -0.073 0.000 2.534 93 R HA 0.557 4.898 4.340 0.001 0.000 0.301 93 R C -1.764 174.639 176.300 0.172 0.000 0.961 93 R CA -0.520 55.548 56.100 -0.054 0.000 0.871 93 R CB 1.125 31.416 30.300 -0.015 0.000 1.170 93 R HN 0.307 nan 8.270 nan 0.000 0.446 94 F N 3.322 123.256 119.950 -0.026 0.000 2.325 94 F HA 0.668 5.195 4.527 0.001 0.000 0.369 94 F C -0.062 175.710 175.800 -0.047 0.000 1.095 94 F CA -1.156 56.838 58.000 -0.011 0.000 1.082 94 F CB 1.487 40.511 39.000 0.039 0.000 1.289 94 F HN 0.695 nan 8.300 nan 0.000 0.462 95 A N 4.887 127.789 122.820 0.137 0.000 2.594 95 A HA 0.713 5.033 4.320 0.001 0.000 0.295 95 A C -2.415 175.177 177.584 0.014 0.000 1.071 95 A CA -1.305 50.752 52.037 0.032 0.000 0.685 95 A CB 1.771 20.788 19.000 0.029 0.000 1.285 95 A HN 0.262 nan 8.150 nan 0.000 0.405 96 P HA -0.069 nan 4.420 nan 0.000 0.226 96 P C 1.243 178.555 177.300 0.020 0.000 1.153 96 P CA 1.874 64.970 63.100 -0.007 0.000 0.777 96 P CB 0.167 31.851 31.700 -0.027 0.000 0.794 97 S N -2.275 113.436 115.700 0.019 0.000 2.528 97 S HA 0.055 4.526 4.470 0.001 0.000 0.219 97 S C 0.861 175.469 174.600 0.014 0.000 0.985 97 S CA -0.195 58.018 58.200 0.022 0.000 0.914 97 S CB -1.088 62.126 63.200 0.023 0.000 0.776 97 S HN -0.142 nan 8.310 nan 0.000 0.526 98 V N 4.590 124.509 119.914 0.008 0.000 2.617 98 V HA 0.240 4.360 4.120 0.001 0.000 0.304 98 V C 0.271 176.289 176.094 -0.127 0.000 1.040 98 V CA 0.320 62.584 62.300 -0.060 0.000 1.149 98 V CB -0.623 31.187 31.823 -0.021 0.000 0.914 98 V HN 0.864 nan 8.190 nan 0.000 0.487 99 N N 3.445 121.976 118.700 -0.282 0.000 3.106 99 N HA 0.247 4.987 4.740 0.001 0.000 0.253 99 N C -0.027 175.200 175.510 -0.472 0.000 1.506 99 N CA -0.887 51.974 53.050 -0.314 0.000 0.876 99 N CB 1.003 39.462 38.487 -0.047 0.000 1.452 99 N HN 0.225 nan 8.380 nan 0.000 0.542 100 L N 0.202 121.268 121.223 -0.261 0.000 2.017 100 L HA -0.012 4.328 4.340 0.001 0.000 0.208 100 L C 2.210 179.013 176.870 -0.112 0.000 1.073 100 L CA 2.264 56.999 54.840 -0.175 0.000 0.745 100 L CB -0.984 41.087 42.059 0.019 0.000 0.894 100 L HN 0.783 nan 8.230 nan 0.000 0.432 101 S N -0.591 115.099 115.700 -0.018 0.000 2.365 101 S HA -0.241 4.230 4.470 0.001 0.000 0.225 101 S C 2.040 176.749 174.600 0.182 0.000 1.039 101 S CA 2.006 60.260 58.200 0.090 0.000 1.033 101 S CB -0.484 62.793 63.200 0.127 0.000 0.887 101 S HN 0.467 nan 8.310 nan 0.000 0.447 102 I N 1.364 122.009 120.570 0.125 0.000 2.127 102 I HA -0.234 3.937 4.170 0.001 0.000 0.241 102 I C 2.603 178.680 176.117 -0.067 0.000 1.075 102 I CA 1.320 62.723 61.300 0.171 0.000 1.334 102 I CB -0.334 37.718 38.000 0.086 0.000 1.040 102 I HN 0.358 nan 8.210 nan 0.000 0.405 103 M N 0.273 119.781 119.600 -0.153 0.000 2.108 103 M HA -0.221 4.260 4.480 0.001 0.000 0.261 103 M C 2.254 178.500 176.300 -0.091 0.000 1.066 103 M CA 1.861 57.059 55.300 -0.171 0.000 1.107 103 M CB -1.096 31.375 32.600 -0.216 0.000 1.356 103 M HN 0.201 nan 8.290 nan 0.000 0.406 104 K N -0.125 120.242 120.400 -0.055 0.000 2.025 104 K HA -0.155 4.165 4.320 0.001 0.000 0.207 104 K C 1.882 178.642 176.600 0.266 0.000 1.049 104 K CA 1.568 57.868 56.287 0.022 0.000 0.933 104 K CB -0.505 31.738 32.500 -0.428 0.000 0.714 104 K HN 0.330 nan 8.250 nan 0.000 0.438 105 F N 1.209 121.314 119.950 0.259 0.000 2.134 105 F HA -0.121 4.407 4.527 0.001 0.000 0.299 105 F C 1.588 177.526 175.800 0.230 0.000 1.097 105 F CA 1.178 59.377 58.000 0.333 0.000 1.264 105 F CB -0.620 38.518 39.000 0.230 0.000 1.001 105 F HN -0.139 nan 8.300 nan 0.000 0.479 106 L N 0.714 121.412 121.223 -0.875 0.000 2.156 106 L HA 0.015 4.355 4.340 0.001 0.000 0.208 106 L C 2.842 179.585 176.870 -0.212 0.000 1.095 106 L CA 1.162 55.590 54.840 -0.686 0.000 0.770 106 L CB -1.340 40.326 42.059 -0.655 0.000 0.914 106 L HN 0.440 nan 8.230 nan 0.000 0.439 107 G N -0.752 108.008 108.800 -0.067 0.000 2.448 107 G HA2 -0.278 3.682 3.960 0.001 0.000 0.218 107 G HA3 -0.278 3.682 3.960 0.001 0.000 0.218 107 G C 1.450 176.301 174.900 -0.081 0.000 1.135 107 G CA 0.146 45.267 45.100 0.035 0.000 0.784 107 G HN 0.260 nan 8.290 nan 0.000 0.543 108 F N 1.564 121.285 119.950 -0.381 0.000 2.113 108 F HA 0.043 4.570 4.527 0.001 0.000 0.297 108 F C 2.626 178.293 175.800 -0.221 0.000 1.103 108 F CA 1.755 59.338 58.000 -0.696 0.000 1.248 108 F CB -0.101 38.609 39.000 -0.482 0.000 0.999 108 F HN 0.210 nan 8.300 nan 0.000 0.475 109 E N -0.371 119.849 120.200 0.032 0.000 2.085 109 E HA -0.322 4.029 4.350 0.001 0.000 0.194 109 E C 2.090 178.655 176.600 -0.057 0.000 0.994 109 E CA 1.392 57.825 56.400 0.055 0.000 0.801 109 E CB -0.348 29.424 29.700 0.120 0.000 0.743 109 E HN 0.412 nan 8.360 nan 0.000 0.453 110 Q N 0.750 120.482 119.800 -0.113 0.000 2.181 110 Q HA -0.172 4.169 4.340 0.001 0.000 0.205 110 Q C 1.847 177.733 176.000 -0.190 0.000 0.980 110 Q CA 1.683 57.413 55.803 -0.121 0.000 0.862 110 Q CB -0.202 28.478 28.738 -0.096 0.000 0.905 110 Q HN 0.278 nan 8.270 nan 0.000 0.429 111 A N -0.719 121.886 122.820 -0.359 0.000 1.873 111 A HA -0.108 4.212 4.320 0.001 0.000 0.215 111 A C 1.737 178.989 177.584 -0.554 0.000 1.186 111 A CA 1.348 53.078 52.037 -0.513 0.000 0.616 111 A CB -0.834 17.706 19.000 -0.767 0.000 0.823 111 A HN 0.453 nan 8.150 nan 0.000 0.442 112 F N 0.207 120.008 119.950 -0.249 0.000 2.146 112 F HA -0.080 4.448 4.527 0.001 0.000 0.298 112 F C 2.241 177.968 175.800 -0.122 0.000 1.096 112 F CA 1.690 59.578 58.000 -0.187 0.000 1.275 112 F CB -0.439 38.430 39.000 -0.217 0.000 1.008 112 F HN 0.206 nan 8.300 nan 0.000 0.480 113 K N 0.394 120.809 120.400 0.025 0.000 2.057 113 K HA -0.180 4.141 4.320 0.001 0.000 0.207 113 K C 1.625 178.207 176.600 -0.031 0.000 1.049 113 K CA 1.953 58.240 56.287 0.000 0.000 0.931 113 K CB -0.184 32.304 32.500 -0.020 0.000 0.714 113 K HN 0.070 nan 8.250 nan 0.000 0.440 114 D N -0.083 120.273 120.400 -0.073 0.000 2.144 114 D HA -0.125 4.516 4.640 0.001 0.000 0.200 114 D C 1.919 178.182 176.300 -0.062 0.000 0.978 114 D CA 0.888 54.844 54.000 -0.074 0.000 0.833 114 D CB -0.313 40.431 40.800 -0.093 0.000 0.961 114 D HN 0.184 nan 8.370 nan 0.000 0.470 115 S N 0.604 116.259 115.700 -0.076 0.000 2.353 115 S HA -0.145 4.325 4.470 0.001 0.000 0.222 115 S C 2.001 176.599 174.600 -0.003 0.000 1.035 115 S CA 0.900 59.068 58.200 -0.053 0.000 1.025 115 S CB -0.461 62.705 63.200 -0.057 0.000 0.902 115 S HN 0.392 nan 8.310 nan 0.000 0.440 116 L N 1.577 122.813 121.223 0.023 0.000 2.189 116 L HA -0.108 4.232 4.340 0.001 0.000 0.214 116 L C 2.280 179.177 176.870 0.044 0.000 1.097 116 L CA 2.171 57.037 54.840 0.044 0.000 0.764 116 L CB -1.242 40.851 42.059 0.057 0.000 0.900 116 L HN 0.623 nan 8.230 nan 0.000 0.436 117 T N -3.777 110.790 114.554 0.022 0.000 3.051 117 T HA -0.110 4.241 4.350 0.001 0.000 0.269 117 T C 1.323 176.050 174.700 0.045 0.000 1.127 117 T CA 1.435 63.551 62.100 0.027 0.000 1.107 117 T CB -0.644 68.216 68.868 -0.014 0.000 0.898 117 T HN 0.782 nan 8.240 nan 0.000 0.517 118 T N -1.361 113.216 114.554 0.039 0.000 7.058 118 T HA -0.196 4.155 4.350 0.001 0.000 0.289 118 T C 0.083 174.809 174.700 0.044 0.000 2.142 118 T CA 0.915 63.043 62.100 0.047 0.000 3.531 118 T CB -2.518 66.391 68.868 0.069 0.000 1.423 118 T HN 0.607 nan 8.240 nan 0.000 1.040 119 L N 2.005 123.248 121.223 0.034 0.000 2.421 119 L HA 0.536 4.876 4.340 0.001 0.000 0.263 119 L C -1.756 175.118 176.870 0.007 0.000 1.122 119 L CA -2.487 52.375 54.840 0.037 0.000 0.804 119 L CB 0.437 42.514 42.059 0.030 0.000 1.150 119 L HN 0.012 nan 8.230 nan 0.000 0.457 120 P HA 0.209 nan 4.420 nan 0.000 0.252 120 P C -0.991 176.286 177.300 -0.038 0.000 1.727 120 P CA 0.313 63.405 63.100 -0.014 0.000 1.134 120 P CB 0.113 31.814 31.700 0.000 0.000 1.876 121 M N 1.447 121.012 119.600 -0.058 0.000 2.326 121 M HA 0.463 4.944 4.480 0.001 0.000 0.292 121 M C 0.779 177.017 176.300 -0.104 0.000 1.081 121 M CA -0.505 54.751 55.300 -0.074 0.000 0.919 121 M CB 3.017 35.579 32.600 -0.065 0.000 1.634 121 M HN 0.148 nan 8.290 nan 0.000 0.451 122 G N 1.313 110.037 108.800 -0.127 0.000 2.494 122 G HA2 0.735 4.695 3.960 0.001 0.000 0.270 122 G HA3 0.735 4.695 3.960 0.001 0.000 0.270 122 G C -0.425 174.422 174.900 -0.087 0.000 1.423 122 G CA -0.488 44.520 45.100 -0.153 0.000 1.055 122 G HN 0.784 nan 8.290 nan 0.000 0.536 123 G N -1.746 107.035 108.800 -0.031 0.000 2.617 123 G HA2 0.784 4.745 3.960 0.001 0.000 0.306 123 G HA3 0.784 4.745 3.960 0.001 0.000 0.306 123 G C -0.870 174.096 174.900 0.110 0.000 1.360 123 G CA 0.385 45.473 45.100 -0.019 0.000 0.983 123 G HN 1.365 nan 8.290 nan 0.000 0.496 124 A N 1.352 124.215 122.820 0.072 0.000 2.599 124 A HA 0.944 5.264 4.320 0.001 0.000 0.290 124 A C -1.272 176.330 177.584 0.030 0.000 1.101 124 A CA -0.814 51.268 52.037 0.075 0.000 0.674 124 A CB 2.427 21.471 19.000 0.073 0.000 1.277 124 A HN 0.832 nan 8.150 nan 0.000 0.419 125 K N -0.853 119.561 120.400 0.024 0.000 2.546 125 K HA 0.713 5.033 4.320 0.001 0.000 0.264 125 K C -0.352 176.268 176.600 0.034 0.000 0.937 125 K CA 0.482 56.770 56.287 0.003 0.000 0.833 125 K CB 2.129 34.600 32.500 -0.048 0.000 1.378 125 K HN 1.726 nan 8.250 nan 0.000 0.432 126 G N -0.046 108.796 108.800 0.071 0.000 2.721 126 G HA2 0.774 4.735 3.960 0.001 0.000 0.296 126 G HA3 0.774 4.735 3.960 0.001 0.000 0.296 126 G C -0.680 174.353 174.900 0.222 0.000 1.383 126 G CA -0.247 44.959 45.100 0.176 0.000 0.788 126 G HN 1.008 nan 8.290 nan 0.000 0.500 127 G N -1.561 107.488 108.800 0.415 0.000 2.368 127 G HA2 0.576 4.537 3.960 0.001 0.000 0.269 127 G HA3 0.576 4.537 3.960 0.001 0.000 0.269 127 G C -1.050 174.190 174.900 0.566 0.000 1.291 127 G CA 0.877 46.256 45.100 0.464 0.000 0.903 127 G HN 1.879 nan 8.290 nan 0.000 0.483 128 S N -1.055 114.920 115.700 0.458 0.000 2.547 128 S HA 0.493 4.963 4.470 0.001 0.000 0.270 128 S C -0.400 174.329 174.600 0.215 0.000 1.150 128 S CA 0.674 59.061 58.200 0.312 0.000 0.850 128 S CB 1.627 64.860 63.200 0.056 0.000 1.118 128 S HN 1.107 nan 8.310 nan 0.000 0.461 129 D N 1.510 122.043 120.400 0.221 0.000 2.352 129 D HA 0.044 4.684 4.640 0.001 0.000 0.232 129 D C 0.416 176.752 176.300 0.061 0.000 1.055 129 D CA -0.102 53.984 54.000 0.143 0.000 0.891 129 D CB -0.475 40.423 40.800 0.164 0.000 0.897 129 D HN 0.310 nan 8.370 nan 0.000 0.529 130 F N 1.839 121.641 119.950 -0.246 0.000 2.602 130 F HA 0.186 4.713 4.527 0.001 0.000 0.367 130 F C 0.120 175.703 175.800 -0.361 0.000 1.126 130 F CA -0.342 57.354 58.000 -0.507 0.000 1.321 130 F CB 0.639 38.793 39.000 -1.411 0.000 1.094 130 F HN -0.236 nan 8.300 nan 0.000 0.594 131 D N 7.889 127.761 120.400 -0.880 0.000 2.441 131 D HA 0.318 4.958 4.640 0.001 0.000 0.231 131 D C -1.957 173.713 176.300 -1.050 0.000 1.073 131 D CA -2.442 51.139 54.000 -0.698 0.000 0.850 131 D CB 1.618 42.195 40.800 -0.372 0.000 1.062 131 D HN 0.226 nan 8.370 nan 0.000 0.524 132 P HA -0.063 nan 4.420 nan 0.000 0.226 132 P C 0.181 177.293 177.300 -0.314 0.000 1.153 132 P CA 0.210 62.970 63.100 -0.567 0.000 0.777 132 P CB 0.055 31.669 31.700 -0.144 0.000 0.794 133 N N 0.862 119.401 118.700 -0.268 0.000 2.434 133 N HA 0.223 4.963 4.740 0.001 0.000 0.268 133 N C 1.234 176.654 175.510 -0.149 0.000 1.256 133 N CA 1.401 54.355 53.050 -0.160 0.000 0.914 133 N CB -0.594 37.819 38.487 -0.123 0.000 1.088 133 N HN 0.152 nan 8.380 nan 0.000 0.478 134 G N 2.198 110.942 108.800 -0.093 0.000 2.157 134 G HA2 -0.235 3.725 3.960 0.001 0.000 0.248 134 G HA3 -0.235 3.725 3.960 0.001 0.000 0.248 134 G C -0.378 174.499 174.900 -0.038 0.000 0.979 134 G CA -0.054 45.013 45.100 -0.057 0.000 0.650 134 G HN 0.572 nan 8.290 nan 0.000 0.529 135 K N 1.498 121.863 120.400 -0.058 0.000 2.143 135 K HA 0.571 4.891 4.320 0.001 0.000 0.272 135 K C 1.008 177.637 176.600 0.048 0.000 1.001 135 K CA 0.205 56.492 56.287 0.000 0.000 0.915 135 K CB 1.589 34.070 32.500 -0.032 0.000 1.047 135 K HN 0.610 nan 8.250 nan 0.000 0.458 136 S N -0.112 115.637 115.700 0.082 0.000 2.596 136 S HA -0.031 4.439 4.470 0.001 0.000 0.260 136 S C 0.996 175.662 174.600 0.110 0.000 1.336 136 S CA -0.049 58.202 58.200 0.086 0.000 0.993 136 S CB 0.727 63.981 63.200 0.091 0.000 0.923 136 S HN 0.636 nan 8.310 nan 0.000 0.567 137 D N 0.116 120.585 120.400 0.115 0.000 2.144 137 D HA -0.107 4.534 4.640 0.001 0.000 0.199 137 D C 2.098 178.485 176.300 0.144 0.000 0.984 137 D CA 0.925 55.025 54.000 0.166 0.000 0.834 137 D CB 0.019 40.916 40.800 0.163 0.000 0.955 137 D HN 0.486 nan 8.370 nan 0.000 0.465 138 R N 0.819 121.371 120.500 0.088 0.000 2.075 138 R HA -0.038 4.302 4.340 0.001 0.000 0.232 138 R C 1.867 178.203 176.300 0.061 0.000 1.126 138 R CA 1.444 57.566 56.100 0.037 0.000 0.963 138 R CB -0.308 30.023 30.300 0.052 0.000 0.858 138 R HN 0.301 nan 8.270 nan 0.000 0.435 139 E N -0.923 119.352 120.200 0.126 0.000 2.106 139 E HA -0.115 4.236 4.350 0.001 0.000 0.192 139 E C 1.853 178.491 176.600 0.064 0.000 0.984 139 E CA 1.285 57.791 56.400 0.177 0.000 0.806 139 E CB 0.030 29.882 29.700 0.253 0.000 0.750 139 E HN 0.070 nan 8.360 nan 0.000 0.458 140 V N 1.412 121.396 119.914 0.116 0.000 2.358 140 V HA -0.274 3.847 4.120 0.001 0.000 0.246 140 V C 2.311 178.482 176.094 0.127 0.000 1.047 140 V CA 1.660 64.056 62.300 0.161 0.000 1.035 140 V CB -0.331 31.653 31.823 0.269 0.000 0.658 140 V HN 0.365 nan 8.190 nan 0.000 0.452 141 M N -0.397 119.211 119.600 0.014 0.000 2.108 141 M HA -0.227 4.253 4.480 0.001 0.000 0.261 141 M C 2.466 178.674 176.300 -0.153 0.000 1.066 141 M CA 1.933 57.036 55.300 -0.328 0.000 1.107 141 M CB -0.217 31.944 32.600 -0.732 0.000 1.356 141 M HN 0.208 nan 8.290 nan 0.000 0.406 142 R N -0.879 119.587 120.500 -0.057 0.000 2.075 142 R HA -0.155 4.185 4.340 0.001 0.000 0.232 142 R C 2.110 178.398 176.300 -0.021 0.000 1.126 142 R CA 1.749 57.859 56.100 0.017 0.000 0.963 142 R CB -0.650 29.743 30.300 0.155 0.000 0.858 142 R HN 0.405 nan 8.270 nan 0.000 0.435 143 F N 0.961 120.716 119.950 -0.324 0.000 2.134 143 F HA -0.228 4.300 4.527 0.001 0.000 0.299 143 F C 2.222 177.809 175.800 -0.355 0.000 1.097 143 F CA 1.176 58.787 58.000 -0.648 0.000 1.264 143 F CB -0.292 37.757 39.000 -1.584 0.000 1.001 143 F HN -0.032 nan 8.300 nan 0.000 0.479 144 C N 0.311 119.536 119.300 -0.124 0.000 2.425 144 C HA -0.185 4.275 4.460 0.001 0.000 0.277 144 C C 2.726 177.740 174.990 0.039 0.000 1.280 144 C CA 1.258 60.307 59.018 0.050 0.000 1.744 144 C CB -1.246 26.648 27.740 0.256 0.000 1.989 144 C HN 0.558 nan 8.230 nan 0.000 0.491 145 Q N 0.488 120.274 119.800 -0.024 0.000 2.046 145 Q HA -0.114 4.227 4.340 0.001 0.000 0.200 145 Q C 2.532 178.506 176.000 -0.044 0.000 0.975 145 Q CA 1.739 57.530 55.803 -0.021 0.000 0.836 145 Q CB -0.330 28.382 28.738 -0.043 0.000 0.896 145 Q HN 0.729 nan 8.270 nan 0.000 0.428 146 A N 0.441 123.199 122.820 -0.104 0.000 1.902 146 A HA -0.208 4.112 4.320 0.001 0.000 0.217 146 A C 1.865 179.394 177.584 -0.092 0.000 1.181 146 A CA 1.185 53.163 52.037 -0.097 0.000 0.623 146 A CB -0.810 18.131 19.000 -0.098 0.000 0.818 146 A HN 0.457 nan 8.150 nan 0.000 0.443 147 F N -0.296 119.430 119.950 -0.374 0.000 2.075 147 F HA -0.183 4.344 4.527 0.001 0.000 0.297 147 F C 2.136 177.936 175.800 -0.001 0.000 1.113 147 F CA 2.349 60.231 58.000 -0.198 0.000 1.218 147 F CB -0.195 38.584 39.000 -0.368 0.000 0.984 147 F HN 0.267 nan 8.300 nan 0.000 0.472 148 M N 0.128 119.788 119.600 0.100 0.000 2.476 148 M HA -0.079 4.401 4.480 0.001 0.000 0.262 148 M C 1.787 178.109 176.300 0.036 0.000 1.079 148 M CA 1.638 56.984 55.300 0.076 0.000 1.104 148 M CB -1.005 31.707 32.600 0.186 0.000 1.409 148 M HN 0.063 nan 8.290 nan 0.000 0.467 149 T N -0.180 114.362 114.554 -0.020 0.000 2.833 149 T HA -0.129 4.222 4.350 0.001 0.000 0.269 149 T C 1.580 176.302 174.700 0.036 0.000 1.054 149 T CA 1.736 63.831 62.100 -0.008 0.000 1.135 149 T CB -0.099 68.740 68.868 -0.049 0.000 0.869 149 T HN 0.524 nan 8.240 nan 0.000 0.466 150 E N 0.483 120.568 120.200 -0.191 0.000 2.162 150 E HA 0.138 4.489 4.350 0.001 0.000 0.193 150 E C 1.902 178.155 176.600 -0.579 0.000 0.953 150 E CA 0.158 56.314 56.400 -0.408 0.000 0.849 150 E CB -0.584 28.721 29.700 -0.658 0.000 0.810 150 E HN 0.244 nan 8.360 nan 0.000 0.470 151 L N 1.079 121.909 121.223 -0.655 0.000 2.042 151 L HA -0.147 4.194 4.340 0.001 0.000 0.210 151 L C 2.322 179.059 176.870 -0.221 0.000 1.076 151 L CA 2.230 56.794 54.840 -0.460 0.000 0.749 151 L CB -1.058 40.747 42.059 -0.423 0.000 0.893 151 L HN 0.460 nan 8.230 nan 0.000 0.432 152 Y N 1.010 121.234 120.300 -0.126 0.000 2.173 152 Y HA -0.362 4.189 4.550 0.001 0.000 0.282 152 Y C 2.487 178.339 175.900 -0.081 0.000 1.192 152 Y CA 2.054 60.166 58.100 0.020 0.000 1.176 152 Y CB -1.179 37.263 38.460 -0.030 0.000 0.969 152 Y HN 0.385 nan 8.280 nan 0.000 0.519 153 R N -0.180 119.431 120.500 -1.481 0.000 2.237 153 R HA -0.114 4.226 4.340 0.001 0.000 0.219 153 R C 0.847 176.661 176.300 -0.810 0.000 1.080 153 R CA 1.715 57.042 56.100 -1.289 0.000 0.995 153 R CB -0.784 28.705 30.300 -1.352 0.000 0.875 153 R HN 0.557 nan 8.270 nan 0.000 0.462 154 H N 0.558 119.435 119.070 -0.323 0.000 2.652 154 H HA 0.263 4.820 4.556 0.001 0.000 0.274 154 H C 1.024 176.296 175.328 -0.093 0.000 1.021 154 H CA 0.337 56.272 56.048 -0.188 0.000 1.187 154 H CB 0.346 29.990 29.762 -0.196 0.000 1.505 154 H HN 0.346 nan 8.280 nan 0.000 0.530 155 I N -2.209 118.376 120.570 0.025 0.000 3.516 155 I HA 0.853 5.024 4.170 0.001 0.000 0.297 155 I C -0.080 176.081 176.117 0.074 0.000 1.139 155 I CA -1.070 60.267 61.300 0.062 0.000 1.020 155 I CB 2.473 40.503 38.000 0.050 0.000 1.341 155 I HN 0.024 nan 8.210 nan 0.000 0.490 156 G N 0.434 109.263 108.800 0.050 0.000 2.350 156 G HA2 0.249 4.209 3.960 0.001 0.000 0.305 156 G HA3 0.249 4.209 3.960 0.001 0.000 0.305 156 G C -2.980 171.944 174.900 0.039 0.000 1.479 156 G CA -0.442 44.691 45.100 0.055 0.000 0.949 156 G HN 0.394 nan 8.290 nan 0.000 0.651 157 P HA -0.014 nan 4.420 nan 0.000 0.217 157 P C 0.701 178.034 177.300 0.055 0.000 1.148 157 P CA 1.501 64.639 63.100 0.063 0.000 0.828 157 P CB 0.221 31.999 31.700 0.129 0.000 0.783 158 D N -2.244 118.194 120.400 0.064 0.000 2.395 158 D HA 0.208 4.849 4.640 0.001 0.000 0.213 158 D C 1.511 177.836 176.300 0.042 0.000 1.110 158 D CA 0.205 54.233 54.000 0.048 0.000 0.835 158 D CB 0.694 41.528 40.800 0.056 0.000 0.965 158 D HN 0.257 nan 8.370 nan 0.000 0.505 159 I N -0.427 120.183 120.570 0.066 0.000 3.632 159 I HA 0.091 4.261 4.170 0.001 0.000 0.246 159 I C 0.077 176.314 176.117 0.199 0.000 1.125 159 I CA 0.123 61.493 61.300 0.117 0.000 1.519 159 I CB 0.805 38.879 38.000 0.122 0.000 1.555 159 I HN -0.247 nan 8.210 nan 0.000 0.452 160 D N 0.616 121.111 120.400 0.158 0.000 2.890 160 D HA 0.351 4.991 4.640 0.001 0.000 0.233 160 D C -1.376 174.967 176.300 0.072 0.000 1.306 160 D CA -0.117 53.987 54.000 0.174 0.000 0.929 160 D CB 2.399 43.298 40.800 0.165 0.000 1.512 160 D HN -0.185 nan 8.370 nan 0.000 0.568 161 V N 5.921 125.866 119.914 0.051 0.000 2.304 161 V HA 0.437 4.558 4.120 0.001 0.000 0.278 161 V C -2.071 174.024 176.094 0.002 0.000 1.018 161 V CA -1.358 60.943 62.300 0.001 0.000 0.814 161 V CB 1.257 33.069 31.823 -0.018 0.000 1.021 161 V HN 0.444 nan 8.190 nan 0.000 0.440 162 P HA 0.744 nan 4.420 nan 0.000 0.279 162 P C -0.439 176.851 177.300 -0.017 0.000 1.276 162 P CA -0.251 62.858 63.100 0.016 0.000 0.801 162 P CB 1.371 33.111 31.700 0.066 0.000 1.127 163 A N -0.689 122.115 122.820 -0.028 0.000 2.534 163 A HA 0.746 5.067 4.320 0.001 0.000 0.300 163 A C -0.175 177.360 177.584 -0.080 0.000 1.223 163 A CA -0.227 51.775 52.037 -0.058 0.000 0.666 163 A CB 0.490 19.449 19.000 -0.068 0.000 1.316 163 A HN 0.554 nan 8.150 nan 0.000 0.468 164 G N -1.418 107.322 108.800 -0.100 0.000 2.588 164 G HA2 0.524 4.484 3.960 0.001 0.000 0.281 164 G HA3 0.524 4.484 3.960 0.001 0.000 0.281 164 G C -0.538 174.286 174.900 -0.128 0.000 1.236 164 G CA 0.805 45.824 45.100 -0.135 0.000 0.969 164 G HN 1.053 nan 8.290 nan 0.000 0.504 165 D N -2.672 117.640 120.400 -0.147 0.000 3.235 165 D HA 0.151 4.792 4.640 0.001 0.000 0.360 165 D C -1.016 175.211 176.300 -0.121 0.000 1.465 165 D CA -0.782 53.147 54.000 -0.119 0.000 0.874 165 D CB 0.204 40.939 40.800 -0.109 0.000 1.465 165 D HN 0.477 nan 8.370 nan 0.000 0.533 166 L N 1.167 122.337 121.223 -0.088 0.000 2.615 166 L HA 0.444 4.784 4.340 0.001 0.000 0.271 166 L C 1.223 178.046 176.870 -0.078 0.000 1.183 166 L CA 2.018 56.817 54.840 -0.068 0.000 0.933 166 L CB -0.138 41.899 42.059 -0.037 0.000 1.199 166 L HN 0.776 nan 8.230 nan 0.000 0.487 167 G N 3.108 111.864 108.800 -0.074 0.000 2.195 167 G HA2 -0.186 3.775 3.960 0.001 0.000 0.246 167 G HA3 -0.186 3.775 3.960 0.001 0.000 0.246 167 G C -0.006 174.801 174.900 -0.154 0.000 0.984 167 G CA -0.048 45.024 45.100 -0.046 0.000 0.633 167 G HN 0.875 nan 8.290 nan 0.000 0.525 168 V N 1.047 120.807 119.914 -0.257 0.000 2.380 168 V HA 0.782 4.902 4.120 0.001 0.000 0.286 168 V C 0.773 176.751 176.094 -0.193 0.000 1.015 168 V CA 0.098 62.196 62.300 -0.336 0.000 0.834 168 V CB 0.973 32.460 31.823 -0.560 0.000 1.009 168 V HN 0.821 nan 8.190 nan 0.000 0.428 169 G N 2.510 111.228 108.800 -0.137 0.000 3.217 169 G HA2 0.623 4.584 3.960 0.001 0.000 0.213 169 G HA3 0.623 4.584 3.960 0.001 0.000 0.213 169 G C 0.975 175.816 174.900 -0.099 0.000 1.294 169 G CA 0.129 45.164 45.100 -0.108 0.000 0.987 169 G HN 0.736 nan 8.290 nan 0.000 0.584 170 A N -0.645 122.121 122.820 -0.090 0.000 1.978 170 A HA -0.060 4.260 4.320 0.001 0.000 0.220 170 A C 2.258 179.781 177.584 -0.101 0.000 1.170 170 A CA 2.085 54.074 52.037 -0.080 0.000 0.636 170 A CB -0.465 18.488 19.000 -0.077 0.000 0.810 170 A HN 0.579 nan 8.150 nan 0.000 0.448 171 R N -0.282 120.129 120.500 -0.147 0.000 2.066 171 R HA -0.173 4.168 4.340 0.001 0.000 0.232 171 R C 1.884 177.957 176.300 -0.377 0.000 1.131 171 R CA 1.884 57.803 56.100 -0.301 0.000 0.955 171 R CB -0.249 29.910 30.300 -0.235 0.000 0.851 171 R HN 0.460 nan 8.270 nan 0.000 0.432 172 E N 0.665 120.774 120.200 -0.152 0.000 2.110 172 E HA -0.145 4.205 4.350 0.001 0.000 0.193 172 E C 1.888 178.503 176.600 0.025 0.000 0.988 172 E CA 0.991 57.380 56.400 -0.017 0.000 0.804 172 E CB -0.144 29.558 29.700 0.002 0.000 0.745 172 E HN 0.313 nan 8.360 nan 0.000 0.458 173 I N 0.627 121.191 120.570 -0.010 0.000 2.208 173 I HA -0.158 4.012 4.170 0.001 0.000 0.245 173 I C 2.274 178.495 176.117 0.173 0.000 1.097 173 I CA 1.724 63.063 61.300 0.065 0.000 1.363 173 I CB -1.638 36.377 38.000 0.025 0.000 1.051 173 I HN 0.186 nan 8.210 nan 0.000 0.413 174 G N -0.281 108.600 108.800 0.135 0.000 2.422 174 G HA2 -0.259 3.702 3.960 0.001 0.000 0.218 174 G HA3 -0.259 3.702 3.960 0.001 0.000 0.218 174 G C 1.563 176.583 174.900 0.200 0.000 1.146 174 G CA 0.396 45.626 45.100 0.215 0.000 0.769 174 G HN 0.235 nan 8.290 nan 0.000 0.547 175 Y N 0.228 120.601 120.300 0.122 0.000 2.200 175 Y HA 0.119 4.670 4.550 0.001 0.000 0.290 175 Y C 2.985 178.938 175.900 0.087 0.000 1.137 175 Y CA 0.391 58.540 58.100 0.082 0.000 1.163 175 Y CB -0.706 37.804 38.460 0.082 0.000 0.988 175 Y HN 0.112 nan 8.280 nan 0.000 0.518 176 M N -1.791 117.989 119.600 0.299 0.000 2.117 176 M HA -0.267 4.213 4.480 0.001 0.000 0.262 176 M C 2.112 178.545 176.300 0.222 0.000 1.065 176 M CA 1.902 57.357 55.300 0.258 0.000 1.114 176 M CB -0.656 32.111 32.600 0.278 0.000 1.361 176 M HN 0.272 nan 8.290 nan 0.000 0.408 177 Y N 0.775 121.152 120.300 0.129 0.000 2.181 177 Y HA -0.145 4.406 4.550 0.001 0.000 0.288 177 Y C 2.226 178.166 175.900 0.067 0.000 1.146 177 Y CA 1.763 59.916 58.100 0.089 0.000 1.164 177 Y CB -0.919 37.585 38.460 0.073 0.000 0.982 177 Y HN 0.177 nan 8.280 nan 0.000 0.515 178 G N -0.575 108.117 108.800 -0.179 0.000 2.440 178 G HA2 -0.348 3.612 3.960 0.001 0.000 0.218 178 G HA3 -0.348 3.612 3.960 0.001 0.000 0.218 178 G C 1.498 176.278 174.900 -0.200 0.000 1.154 178 G CA 1.066 46.024 45.100 -0.236 0.000 0.767 178 G HN 0.439 nan 8.290 nan 0.000 0.552 179 Q N -0.447 119.300 119.800 -0.089 0.000 2.084 179 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 179 Q C 2.148 178.076 176.000 -0.119 0.000 0.978 179 Q CA 1.553 57.307 55.803 -0.080 0.000 0.844 179 Q CB -0.641 28.091 28.738 -0.009 0.000 0.898 179 Q HN 0.585 nan 8.270 nan 0.000 0.426 180 Y N 0.824 121.002 120.300 -0.204 0.000 2.114 180 Y HA -0.249 4.302 4.550 0.001 0.000 0.284 180 Y C 2.380 178.132 175.900 -0.246 0.000 1.143 180 Y CA 2.439 60.427 58.100 -0.186 0.000 1.135 180 Y CB -0.290 38.127 38.460 -0.072 0.000 0.980 180 Y HN 0.206 nan 8.280 nan 0.000 0.499 181 R N 0.777 121.125 120.500 -0.253 0.000 2.120 181 R HA -0.205 4.136 4.340 0.001 0.000 0.234 181 R C 2.280 178.460 176.300 -0.200 0.000 1.123 181 R CA 1.961 57.920 56.100 -0.236 0.000 0.975 181 R CB -0.371 29.628 30.300 -0.501 0.000 0.866 181 R HN 0.368 nan 8.270 nan 0.000 0.446 182 K N 0.591 120.853 120.400 -0.230 0.000 2.031 182 K HA -0.058 4.262 4.320 0.001 0.000 0.205 182 K C 2.007 178.462 176.600 -0.242 0.000 1.049 182 K CA 1.552 57.724 56.287 -0.190 0.000 0.939 182 K CB -0.089 32.314 32.500 -0.162 0.000 0.717 182 K HN 0.220 nan 8.250 nan 0.000 0.438 183 I N 1.195 121.550 120.570 -0.357 0.000 2.142 183 I HA -0.254 3.916 4.170 0.001 0.000 0.240 183 I C 2.295 178.136 176.117 -0.459 0.000 1.078 183 I CA 1.365 62.374 61.300 -0.484 0.000 1.343 183 I CB -0.323 37.203 38.000 -0.790 0.000 1.046 183 I HN 0.165 nan 8.210 nan 0.000 0.405 184 V N -0.370 119.229 119.914 -0.525 0.000 2.759 184 V HA 0.128 4.248 4.120 0.001 0.000 0.256 184 V C 1.560 177.571 176.094 -0.139 0.000 1.080 184 V CA 1.058 63.125 62.300 -0.388 0.000 1.101 184 V CB -1.008 30.469 31.823 -0.577 0.000 0.698 184 V HN 0.660 nan 8.190 nan 0.000 0.477 185 G N -0.793 107.946 108.800 -0.101 0.000 2.160 185 G HA2 0.051 4.012 3.960 0.001 0.000 0.251 185 G HA3 0.051 4.012 3.960 0.001 0.000 0.251 185 G C 0.458 175.424 174.900 0.109 0.000 1.008 185 G CA 0.319 45.415 45.100 -0.007 0.000 0.724 185 G HN 1.678 nan 8.290 nan 0.000 0.514 186 G N -2.433 106.503 108.800 0.227 0.000 2.788 186 G HA2 0.691 4.651 3.960 0.001 0.000 0.293 186 G HA3 0.691 4.651 3.960 0.001 0.000 0.293 186 G C 0.159 175.263 174.900 0.340 0.000 1.392 186 G CA 0.129 45.395 45.100 0.277 0.000 0.810 186 G HN 0.454 nan 8.290 nan 0.000 0.508 187 F N -0.381 119.543 119.950 -0.043 0.000 2.085 187 F HA 0.222 4.750 4.527 0.001 0.000 0.284 187 F C 1.443 177.420 175.800 0.295 0.000 1.127 187 F CA 1.217 59.284 58.000 0.111 0.000 1.164 187 F CB -0.380 38.628 39.000 0.012 0.000 1.035 187 F HN 0.398 nan 8.300 nan 0.000 0.481 188 Y N 1.421 121.838 120.300 0.196 0.000 3.225 188 Y HA -0.278 4.273 4.550 0.001 0.000 0.211 188 Y C 1.532 177.392 175.900 -0.067 0.000 1.223 188 Y CA 0.375 58.545 58.100 0.117 0.000 1.284 188 Y CB -2.853 35.801 38.460 0.323 0.000 1.367 188 Y HN 0.393 nan 8.280 nan 0.000 0.566 189 N N -0.038 118.413 118.700 -0.415 0.000 2.519 189 N HA -0.065 4.675 4.740 0.001 0.000 0.186 189 N C 1.719 177.021 175.510 -0.346 0.000 1.062 189 N CA 1.274 53.944 53.050 -0.634 0.000 0.910 189 N CB -0.587 37.190 38.487 -1.183 0.000 0.958 189 N HN 0.587 nan 8.380 nan 0.000 0.445 190 G N 0.030 108.733 108.800 -0.163 0.000 2.956 190 G HA2 -0.019 3.941 3.960 0.001 0.000 0.207 190 G HA3 -0.019 3.941 3.960 0.001 0.000 0.207 190 G C 1.161 176.006 174.900 -0.090 0.000 1.162 190 G CA 0.208 45.242 45.100 -0.109 0.000 0.796 190 G HN 0.284 nan 8.290 nan 0.000 0.527 191 V N -0.475 119.369 119.914 -0.117 0.000 2.970 191 V HA 0.363 4.483 4.120 0.001 0.000 0.260 191 V C 0.620 176.621 176.094 -0.155 0.000 1.100 191 V CA 0.962 63.159 62.300 -0.172 0.000 1.122 191 V CB -0.214 31.341 31.823 -0.446 0.000 0.721 191 V HN 0.196 nan 8.190 nan 0.000 0.483 192 L N 0.170 121.306 121.223 -0.145 0.000 2.409 192 L HA 0.524 4.864 4.340 0.001 0.000 0.262 192 L C -0.204 176.591 176.870 -0.124 0.000 0.992 192 L CA -0.253 54.526 54.840 -0.102 0.000 0.817 192 L CB 2.451 44.481 42.059 -0.048 0.000 1.350 192 L HN 0.144 nan 8.230 nan 0.000 0.411 193 T N -2.310 112.183 114.554 -0.103 0.000 2.952 193 T HA 0.672 5.022 4.350 0.001 0.000 0.286 193 T C 0.702 175.331 174.700 -0.118 0.000 1.024 193 T CA -0.034 61.993 62.100 -0.121 0.000 1.029 193 T CB 1.741 70.542 68.868 -0.111 0.000 1.094 193 T HN 1.060 nan 8.240 nan 0.000 0.515 194 G N 0.773 109.490 108.800 -0.138 0.000 2.132 194 G HA2 -0.202 3.758 3.960 0.001 0.000 0.228 194 G HA3 -0.202 3.758 3.960 0.001 0.000 0.228 194 G C -0.078 174.724 174.900 -0.165 0.000 1.000 194 G CA 0.033 45.053 45.100 -0.133 0.000 0.693 194 G HN 0.893 nan 8.290 nan 0.000 0.515 195 K N 0.218 120.474 120.400 -0.239 0.000 2.168 195 K HA 0.631 4.952 4.320 0.001 0.000 0.258 195 K C 1.040 177.346 176.600 -0.490 0.000 1.010 195 K CA 0.063 56.107 56.287 -0.404 0.000 0.929 195 K CB 0.792 32.930 32.500 -0.604 0.000 0.998 195 K HN 0.530 nan 8.250 nan 0.000 0.479 196 A N 1.488 123.885 122.820 -0.705 0.000 2.366 196 A HA 0.091 4.411 4.320 0.001 0.000 0.249 196 A C 0.996 178.255 177.584 -0.541 0.000 1.084 196 A CA -0.084 51.664 52.037 -0.482 0.000 0.794 196 A CB 0.395 19.218 19.000 -0.295 0.000 1.034 196 A HN 0.816 nan 8.150 nan 0.000 0.491 197 R N 0.668 121.004 120.500 -0.273 0.000 2.127 197 R HA -0.149 4.192 4.340 0.001 0.000 0.238 197 R C 2.371 178.583 176.300 -0.146 0.000 1.134 197 R CA 1.729 57.715 56.100 -0.191 0.000 0.975 197 R CB -0.374 29.870 30.300 -0.092 0.000 0.865 197 R HN 0.951 nan 8.270 nan 0.000 0.447 198 S N 0.831 116.481 115.700 -0.084 0.000 2.440 198 S HA -0.169 4.301 4.470 0.001 0.000 0.240 198 S C 1.196 175.915 174.600 0.199 0.000 1.014 198 S CA 1.236 59.487 58.200 0.085 0.000 0.980 198 S CB -0.381 62.937 63.200 0.198 0.000 0.775 198 S HN 0.505 nan 8.310 nan 0.000 0.499 199 F N -1.421 118.562 119.950 0.054 0.000 2.810 199 F HA 0.792 5.320 4.527 0.001 0.000 0.353 199 F C 0.951 176.757 175.800 0.011 0.000 1.227 199 F CA -0.782 57.278 58.000 0.100 0.000 1.210 199 F CB 0.464 39.553 39.000 0.148 0.000 1.039 199 F HN 0.185 nan 8.300 nan 0.000 0.509 200 G N -0.358 108.362 108.800 -0.134 0.000 2.192 200 G HA2 -0.034 3.927 3.960 0.001 0.000 0.193 200 G HA3 -0.034 3.927 3.960 0.001 0.000 0.193 200 G C 0.632 175.382 174.900 -0.250 0.000 0.999 200 G CA -0.407 44.601 45.100 -0.154 0.000 0.659 200 G HN 0.930 nan 8.290 nan 0.000 0.503 201 G N 0.111 108.712 108.800 -0.332 0.000 2.636 201 G HA2 0.506 4.467 3.960 0.001 0.000 0.246 201 G HA3 0.506 4.467 3.960 0.001 0.000 0.246 201 G C 0.360 175.153 174.900 -0.178 0.000 1.216 201 G CA 1.002 45.937 45.100 -0.275 0.000 0.854 201 G HN 1.144 nan 8.290 nan 0.000 0.572 202 S N -0.529 115.086 115.700 -0.141 0.000 2.608 202 S HA 0.557 5.027 4.470 0.001 0.000 0.291 202 S C 0.361 174.937 174.600 -0.039 0.000 1.146 202 S CA -0.840 57.305 58.200 -0.091 0.000 1.043 202 S CB 0.610 63.766 63.200 -0.073 0.000 1.037 202 S HN 0.427 nan 8.310 nan 0.000 0.520 203 L N 3.159 124.386 121.223 0.006 0.000 2.453 203 L HA 0.321 4.662 4.340 0.001 0.000 0.261 203 L C 0.539 177.444 176.870 0.058 0.000 1.179 203 L CA -0.335 54.527 54.840 0.035 0.000 0.813 203 L CB 0.874 42.974 42.059 0.069 0.000 1.110 203 L HN 0.718 nan 8.230 nan 0.000 0.466 204 V N 0.184 120.126 119.914 0.046 0.000 3.983 204 V HA -0.295 3.826 4.120 0.001 0.000 0.229 204 V C 1.705 177.797 176.094 -0.004 0.000 0.420 204 V CA 1.488 63.807 62.300 0.030 0.000 0.955 204 V CB -1.965 29.918 31.823 0.100 0.000 1.033 204 V HN 0.986 nan 8.190 nan 0.000 1.286 205 R N 1.101 121.595 120.500 -0.010 0.000 2.066 205 R HA -0.081 4.259 4.340 0.001 0.000 0.232 205 R C 0.051 176.330 176.300 -0.035 0.000 1.131 205 R CA 2.185 58.268 56.100 -0.028 0.000 0.955 205 R CB -0.616 29.656 30.300 -0.047 0.000 0.851 205 R HN 0.578 nan 8.270 nan 0.000 0.432 206 P HA -0.073 nan 4.420 nan 0.000 0.216 206 P C 0.413 177.741 177.300 0.047 0.000 1.153 206 P CA 1.313 64.433 63.100 0.033 0.000 0.844 206 P CB 0.055 31.795 31.700 0.067 0.000 0.787 207 E N -0.035 120.106 120.200 -0.097 0.000 2.208 207 E HA -0.024 4.326 4.350 0.001 0.000 0.193 207 E C 2.141 178.456 176.600 -0.474 0.000 0.988 207 E CA 0.974 57.066 56.400 -0.513 0.000 0.828 207 E CB -1.097 27.884 29.700 -1.197 0.000 0.763 207 E HN 0.124 nan 8.360 nan 0.000 0.478 208 A N 0.644 123.331 122.820 -0.222 0.000 1.894 208 A HA -0.359 3.962 4.320 0.001 0.000 0.220 208 A C 2.367 179.937 177.584 -0.023 0.000 1.237 208 A CA 2.713 54.709 52.037 -0.067 0.000 0.660 208 A CB -1.422 17.570 19.000 -0.015 0.000 0.835 208 A HN 0.330 nan 8.150 nan 0.000 0.461 209 T N -0.594 113.936 114.554 -0.040 0.000 2.674 209 T HA -0.008 4.343 4.350 0.001 0.000 0.265 209 T C 2.002 176.687 174.700 -0.025 0.000 1.039 209 T CA 1.673 63.756 62.100 -0.028 0.000 1.150 209 T CB -0.901 67.948 68.868 -0.032 0.000 0.864 209 T HN 0.664 nan 8.240 nan 0.000 0.427 210 G N 0.352 109.132 108.800 -0.032 0.000 2.480 210 G HA2 -0.226 3.735 3.960 0.001 0.000 0.216 210 G HA3 -0.226 3.735 3.960 0.001 0.000 0.216 210 G C 1.329 176.237 174.900 0.013 0.000 1.200 210 G CA 0.634 45.720 45.100 -0.023 0.000 0.782 210 G HN 0.390 nan 8.290 nan 0.000 0.554 211 Y N 1.521 121.664 120.300 -0.263 0.000 2.128 211 Y HA -0.082 4.468 4.550 0.001 0.000 0.284 211 Y C 3.069 178.641 175.900 -0.547 0.000 1.154 211 Y CA 0.537 58.368 58.100 -0.448 0.000 1.149 211 Y CB -1.105 37.156 38.460 -0.332 0.000 0.976 211 Y HN 0.190 nan 8.280 nan 0.000 0.505 212 G N -0.779 108.012 108.800 -0.015 0.000 2.422 212 G HA2 -0.273 3.687 3.960 0.001 0.000 0.218 212 G HA3 -0.273 3.687 3.960 0.001 0.000 0.218 212 G C 1.910 176.832 174.900 0.037 0.000 1.146 212 G CA 1.543 46.690 45.100 0.078 0.000 0.769 212 G HN 0.500 nan 8.290 nan 0.000 0.547 213 S N 0.282 115.964 115.700 -0.031 0.000 2.382 213 S HA -0.103 4.368 4.470 0.001 0.000 0.228 213 S C 2.265 176.854 174.600 -0.019 0.000 1.027 213 S CA 1.459 59.638 58.200 -0.035 0.000 0.991 213 S CB -0.475 62.679 63.200 -0.076 0.000 0.823 213 S HN 0.114 nan 8.310 nan 0.000 0.469 214 V N 0.579 120.409 119.914 -0.140 0.000 2.358 214 V HA -0.106 4.014 4.120 0.001 0.000 0.246 214 V C 2.382 178.416 176.094 -0.099 0.000 1.047 214 V CA 1.549 63.739 62.300 -0.182 0.000 1.035 214 V CB -1.113 30.520 31.823 -0.316 0.000 0.658 214 V HN 0.435 nan 8.190 nan 0.000 0.452 215 Y N -0.839 119.409 120.300 -0.087 0.000 2.224 215 Y HA -0.236 4.314 4.550 0.001 0.000 0.289 215 Y C 2.407 178.313 175.900 0.010 0.000 1.146 215 Y CA 1.250 59.276 58.100 -0.124 0.000 1.182 215 Y CB -1.088 37.281 38.460 -0.151 0.000 0.983 215 Y HN 0.362 nan 8.280 nan 0.000 0.524 216 Y N -0.142 120.219 120.300 0.101 0.000 2.200 216 Y HA -0.179 4.371 4.550 0.001 0.000 0.290 216 Y C 2.365 178.248 175.900 -0.029 0.000 1.137 216 Y CA 1.314 59.448 58.100 0.057 0.000 1.163 216 Y CB -0.538 37.959 38.460 0.062 0.000 0.988 216 Y HN -0.124 nan 8.280 nan 0.000 0.518 217 V N 0.807 120.841 119.914 0.199 0.000 2.332 217 V HA -0.320 3.801 4.120 0.001 0.000 0.248 217 V C 2.363 178.404 176.094 -0.089 0.000 1.055 217 V CA 2.298 64.622 62.300 0.041 0.000 1.038 217 V CB -0.706 31.108 31.823 -0.014 0.000 0.651 217 V HN 0.497 nan 8.190 nan 0.000 0.450 218 E N 0.173 120.346 120.200 -0.045 0.000 2.160 218 E HA -0.249 4.102 4.350 0.001 0.000 0.195 218 E C 2.151 178.683 176.600 -0.113 0.000 0.991 218 E CA 1.400 57.772 56.400 -0.046 0.000 0.810 218 E CB -0.130 29.603 29.700 0.055 0.000 0.742 218 E HN 0.605 nan 8.360 nan 0.000 0.466 219 A N 0.237 122.921 122.820 -0.228 0.000 1.970 219 A HA -0.048 4.273 4.320 0.001 0.000 0.216 219 A C 2.324 179.521 177.584 -0.645 0.000 1.170 219 A CA 0.841 52.612 52.037 -0.444 0.000 0.645 219 A CB -0.280 18.360 19.000 -0.600 0.000 0.816 219 A HN 0.199 nan 8.150 nan 0.000 0.447 220 V N 0.108 119.688 119.914 -0.557 0.000 2.307 220 V HA -0.283 3.838 4.120 0.001 0.000 0.245 220 V C 2.683 178.766 176.094 -0.018 0.000 1.045 220 V CA 1.980 64.169 62.300 -0.186 0.000 1.024 220 V CB -0.658 31.163 31.823 -0.003 0.000 0.651 220 V HN 0.481 nan 8.190 nan 0.000 0.449 221 M N 0.300 119.832 119.600 -0.114 0.000 2.110 221 M HA -0.265 4.216 4.480 0.001 0.000 0.257 221 M C 2.247 178.541 176.300 -0.010 0.000 1.071 221 M CA 2.404 57.658 55.300 -0.078 0.000 1.096 221 M CB -1.406 31.127 32.600 -0.112 0.000 1.300 221 M HN 0.456 nan 8.290 nan 0.000 0.411 222 K N -0.967 119.411 120.400 -0.037 0.000 2.097 222 K HA -0.238 4.083 4.320 0.001 0.000 0.206 222 K C 2.190 178.796 176.600 0.010 0.000 1.049 222 K CA 1.528 57.804 56.287 -0.018 0.000 0.933 222 K CB -0.522 31.960 32.500 -0.030 0.000 0.717 222 K HN 0.435 nan 8.250 nan 0.000 0.442 223 H N 0.400 119.430 119.070 -0.066 0.000 2.423 223 H HA -0.029 4.528 4.556 0.001 0.000 0.297 223 H C 0.738 176.005 175.328 -0.102 0.000 1.075 223 H CA 1.224 57.231 56.048 -0.069 0.000 1.342 223 H CB 0.429 30.168 29.762 -0.038 0.000 1.395 223 H HN 0.288 nan 8.280 nan 0.000 0.530 224 E N 0.955 121.205 120.200 0.083 0.000 2.465 224 E HA 0.004 4.354 4.350 0.001 0.000 0.191 224 E C 0.022 176.637 176.600 0.025 0.000 1.053 224 E CA -0.128 56.318 56.400 0.076 0.000 0.869 224 E CB -0.105 29.757 29.700 0.270 0.000 0.977 224 E HN 0.472 nan 8.360 nan 0.000 0.483 225 N N 2.336 121.027 118.700 -0.014 0.000 2.740 225 N HA -0.180 4.561 4.740 0.001 0.000 0.248 225 N C -0.309 175.211 175.510 0.016 0.000 1.062 225 N CA 1.017 54.058 53.050 -0.015 0.000 0.704 225 N CB -0.649 37.817 38.487 -0.034 0.000 0.968 225 N HN 0.283 nan 8.380 nan 0.000 0.547 226 D N -0.934 119.484 120.400 0.031 0.000 2.712 226 D HA 0.648 5.288 4.640 0.001 0.000 0.252 226 D C -0.144 176.161 176.300 0.008 0.000 1.123 226 D CA 0.001 54.027 54.000 0.043 0.000 1.109 226 D CB 2.122 42.985 40.800 0.104 0.000 1.313 226 D HN 0.046 nan 8.370 nan 0.000 0.629 227 T N -0.566 113.988 114.554 -0.000 0.000 2.802 227 T HA 0.327 4.677 4.350 0.001 0.000 0.311 227 T C 0.379 175.058 174.700 -0.034 0.000 1.405 227 T CA -0.514 61.575 62.100 -0.018 0.000 1.016 227 T CB 0.688 69.552 68.868 -0.006 0.000 1.352 227 T HN 0.215 nan 8.240 nan 0.000 0.498 228 L N 1.817 123.015 121.223 -0.041 0.000 2.375 228 L HA 0.298 4.638 4.340 0.001 0.000 0.215 228 L C 0.694 177.549 176.870 -0.025 0.000 1.108 228 L CA 0.206 55.017 54.840 -0.049 0.000 0.830 228 L CB 0.333 42.361 42.059 -0.052 0.000 0.959 228 L HN 0.453 nan 8.230 nan 0.000 0.457 229 V N 1.264 121.170 119.914 -0.015 0.000 2.509 229 V HA 0.090 4.211 4.120 0.001 0.000 0.297 229 V C 1.378 177.474 176.094 0.003 0.000 1.014 229 V CA 1.274 63.571 62.300 -0.006 0.000 1.127 229 V CB 0.055 31.876 31.823 -0.003 0.000 0.925 229 V HN 0.661 nan 8.190 nan 0.000 0.480 230 G N 3.749 112.553 108.800 0.006 0.000 2.176 230 G HA2 -0.212 3.748 3.960 0.001 0.000 0.253 230 G HA3 -0.212 3.748 3.960 0.001 0.000 0.253 230 G C 0.250 175.166 174.900 0.026 0.000 0.979 230 G CA 0.034 45.145 45.100 0.018 0.000 0.641 230 G HN 0.590 nan 8.290 nan 0.000 0.530 231 K N 1.491 121.903 120.400 0.019 0.000 2.185 231 K HA 0.508 4.828 4.320 0.001 0.000 0.271 231 K C 0.463 177.086 176.600 0.037 0.000 1.013 231 K CA 0.363 56.669 56.287 0.032 0.000 0.943 231 K CB 1.098 33.607 32.500 0.015 0.000 0.998 231 K HN 0.447 nan 8.250 nan 0.000 0.468 232 T N -1.840 112.750 114.554 0.061 0.000 2.829 232 T HA 0.524 4.875 4.350 0.001 0.000 0.282 232 T C 0.001 174.747 174.700 0.077 0.000 0.990 232 T CA -0.865 61.280 62.100 0.075 0.000 1.028 232 T CB 1.214 70.145 68.868 0.105 0.000 0.951 232 T HN 0.202 nan 8.240 nan 0.000 0.460 233 V N 1.443 121.401 119.914 0.073 0.000 2.656 233 V HA 0.759 4.879 4.120 0.001 0.000 0.307 233 V C 0.109 176.260 176.094 0.095 0.000 1.051 233 V CA -1.286 61.059 62.300 0.075 0.000 0.893 233 V CB 1.788 33.634 31.823 0.039 0.000 0.999 233 V HN 1.256 nan 8.190 nan 0.000 0.426 234 A N 5.718 128.612 122.820 0.124 0.000 2.260 234 A HA 0.798 5.119 4.320 0.001 0.000 0.312 234 A C -0.589 177.097 177.584 0.170 0.000 1.321 234 A CA -0.296 51.817 52.037 0.128 0.000 0.928 234 A CB 0.046 19.149 19.000 0.170 0.000 1.158 234 A HN 0.787 nan 8.150 nan 0.000 0.542 235 L N 1.832 123.108 121.223 0.089 0.000 2.352 235 L HA 0.755 5.096 4.340 0.001 0.000 0.269 235 L C 0.573 177.481 176.870 0.064 0.000 1.034 235 L CA -0.608 54.300 54.840 0.113 0.000 0.806 235 L CB 1.879 43.981 42.059 0.072 0.000 1.244 235 L HN 0.714 nan 8.230 nan 0.000 0.447 236 A N 1.002 123.922 122.820 0.166 0.000 2.337 236 A HA 0.854 5.174 4.320 0.001 0.000 0.329 236 A C 0.119 177.773 177.584 0.117 0.000 1.146 236 A CA 0.107 52.217 52.037 0.121 0.000 0.800 236 A CB 1.285 20.492 19.000 0.345 0.000 1.220 236 A HN 0.967 nan 8.150 nan 0.000 0.472 237 G N -0.228 108.643 108.800 0.118 0.000 2.757 237 G HA2 0.171 4.131 3.960 0.001 0.000 0.638 237 G HA3 0.171 4.131 3.960 0.001 0.000 0.638 237 G C -0.253 174.765 174.900 0.197 0.000 1.344 237 G CA 0.374 45.530 45.100 0.094 0.000 0.855 237 G HN 2.226 nan 8.290 nan 0.000 0.537 238 F N -1.625 118.353 119.950 0.047 0.000 2.993 238 F HA 0.609 5.137 4.527 0.001 0.000 0.338 238 F C 1.021 176.853 175.800 0.053 0.000 1.199 238 F CA 0.296 58.325 58.000 0.047 0.000 1.069 238 F CB -0.417 38.602 39.000 0.031 0.000 1.294 238 F HN 0.986 nan 8.300 nan 0.000 0.513 239 G N 0.878 109.561 108.800 -0.195 0.000 2.494 239 G HA2 0.000 3.961 3.960 0.001 0.000 0.270 239 G HA3 0.000 3.961 3.960 0.001 0.000 0.270 239 G C 0.778 175.703 174.900 0.042 0.000 1.423 239 G CA 0.052 45.056 45.100 -0.160 0.000 1.055 239 G HN 0.301 nan 8.290 nan 0.000 0.536 240 N N -1.346 117.366 118.700 0.020 0.000 2.061 240 N HA -0.172 4.569 4.740 0.001 0.000 0.193 240 N C 2.259 177.898 175.510 0.214 0.000 1.030 240 N CA 1.781 54.912 53.050 0.135 0.000 0.856 240 N CB -0.117 38.392 38.487 0.036 0.000 1.023 240 N HN 0.178 nan 8.380 nan 0.000 0.424 241 V N 1.651 121.619 119.914 0.090 0.000 2.261 241 V HA -0.181 3.940 4.120 0.001 0.000 0.246 241 V C 2.695 178.835 176.094 0.077 0.000 1.047 241 V CA 1.903 64.240 62.300 0.061 0.000 1.015 241 V CB -1.117 30.712 31.823 0.011 0.000 0.642 241 V HN 0.446 nan 8.190 nan 0.000 0.446 242 A N -0.737 122.138 122.820 0.090 0.000 1.940 242 A HA -0.308 4.013 4.320 0.001 0.000 0.219 242 A C 1.961 179.626 177.584 0.136 0.000 1.176 242 A CA 2.185 54.281 52.037 0.098 0.000 0.631 242 A CB -0.990 18.078 19.000 0.114 0.000 0.814 242 A HN 0.781 nan 8.150 nan 0.000 0.446 243 W N 0.688 122.001 121.300 0.021 0.000 2.355 243 W HA -0.076 4.585 4.660 0.001 0.000 0.309 243 W C 2.140 178.688 176.519 0.048 0.000 1.206 243 W CA 2.109 59.476 57.345 0.037 0.000 1.284 243 W CB -0.651 28.826 29.460 0.028 0.000 1.145 243 W HN 0.210 nan 8.180 nan 0.000 0.502 244 G N 0.063 108.726 108.800 -0.229 0.000 2.408 244 G HA2 -0.149 3.812 3.960 0.001 0.000 0.217 244 G HA3 -0.149 3.812 3.960 0.001 0.000 0.217 244 G C 1.610 176.417 174.900 -0.155 0.000 1.150 244 G CA 1.322 46.169 45.100 -0.422 0.000 0.776 244 G HN 0.505 nan 8.290 nan 0.000 0.542 245 A N 1.323 124.088 122.820 -0.092 0.000 1.877 245 A HA 0.253 4.574 4.320 0.001 0.000 0.216 245 A C 2.824 180.338 177.584 -0.117 0.000 1.186 245 A CA 2.277 54.261 52.037 -0.089 0.000 0.620 245 A CB -0.852 18.117 19.000 -0.051 0.000 0.822 245 A HN 0.754 nan 8.150 nan 0.000 0.443 246 A N -0.177 122.581 122.820 -0.102 0.000 1.902 246 A HA -0.192 4.128 4.320 0.001 0.000 0.217 246 A C 2.141 179.642 177.584 -0.137 0.000 1.181 246 A CA 2.125 54.108 52.037 -0.090 0.000 0.623 246 A CB -0.474 18.506 19.000 -0.033 0.000 0.818 246 A HN 0.582 nan 8.150 nan 0.000 0.443 247 K N -0.509 119.754 120.400 -0.227 0.000 2.057 247 K HA -0.203 4.118 4.320 0.001 0.000 0.207 247 K C 2.096 178.562 176.600 -0.224 0.000 1.049 247 K CA 1.813 57.966 56.287 -0.224 0.000 0.931 247 K CB -0.110 32.164 32.500 -0.378 0.000 0.714 247 K HN 0.239 nan 8.250 nan 0.000 0.440 248 K N 1.026 121.243 120.400 -0.305 0.000 2.103 248 K HA -0.016 4.305 4.320 0.001 0.000 0.204 248 K C 1.908 178.336 176.600 -0.286 0.000 1.052 248 K CA 1.105 57.117 56.287 -0.458 0.000 0.945 248 K CB -0.256 31.802 32.500 -0.737 0.000 0.722 248 K HN 0.180 nan 8.250 nan 0.000 0.443 249 L N -0.022 121.078 121.223 -0.206 0.000 1.989 249 L HA -0.201 4.139 4.340 0.001 0.000 0.211 249 L C 2.413 179.221 176.870 -0.103 0.000 1.071 249 L CA 1.508 56.268 54.840 -0.135 0.000 0.749 249 L CB -0.707 41.295 42.059 -0.096 0.000 0.890 249 L HN 0.283 nan 8.230 nan 0.000 0.431 250 A N -0.461 122.301 122.820 -0.097 0.000 1.883 250 A HA -0.290 4.031 4.320 0.001 0.000 0.217 250 A C 2.203 179.745 177.584 -0.070 0.000 1.186 250 A CA 2.018 54.015 52.037 -0.068 0.000 0.624 250 A CB -0.655 18.311 19.000 -0.057 0.000 0.822 250 A HN 0.457 nan 8.150 nan 0.000 0.444 251 E N -0.433 119.707 120.200 -0.100 0.000 2.097 251 E HA -0.172 4.178 4.350 0.001 0.000 0.196 251 E C 1.531 178.090 176.600 -0.068 0.000 1.000 251 E CA 1.247 57.593 56.400 -0.090 0.000 0.804 251 E CB -0.209 29.404 29.700 -0.145 0.000 0.740 251 E HN 0.648 nan 8.360 nan 0.000 0.454 252 L N -0.830 120.345 121.223 -0.080 0.000 2.599 252 L HA 0.123 4.463 4.340 0.001 0.000 0.230 252 L C 1.378 178.227 176.870 -0.036 0.000 1.141 252 L CA 0.497 55.308 54.840 -0.049 0.000 0.877 252 L CB 0.076 42.104 42.059 -0.053 0.000 1.009 252 L HN 0.370 nan 8.230 nan 0.000 0.447 253 G N -0.173 108.605 108.800 -0.037 0.000 2.175 253 G HA2 -0.219 3.742 3.960 0.001 0.000 0.244 253 G HA3 -0.219 3.742 3.960 0.001 0.000 0.244 253 G C 0.293 175.180 174.900 -0.022 0.000 0.982 253 G CA 0.063 45.148 45.100 -0.024 0.000 0.641 253 G HN 0.515 nan 8.290 nan 0.000 0.527 254 A N -0.212 122.589 122.820 -0.031 0.000 2.326 254 A HA 0.956 5.276 4.320 0.001 0.000 0.303 254 A C 0.255 177.829 177.584 -0.018 0.000 1.164 254 A CA 0.362 52.386 52.037 -0.022 0.000 0.929 254 A CB 1.134 20.115 19.000 -0.031 0.000 1.363 254 A HN 1.268 nan 8.150 nan 0.000 0.498 255 K N -0.541 119.858 120.400 -0.003 0.000 2.543 255 K HA 0.641 4.962 4.320 0.001 0.000 0.255 255 K C -1.179 175.434 176.600 0.022 0.000 0.934 255 K CA -0.272 56.017 56.287 0.004 0.000 0.810 255 K CB 1.801 34.305 32.500 0.007 0.000 1.315 255 K HN 0.998 nan 8.250 nan 0.000 0.433 256 A N 2.706 125.534 122.820 0.014 0.000 2.366 256 A HA 0.425 4.745 4.320 0.001 0.000 0.272 256 A C 0.770 178.382 177.584 0.047 0.000 1.135 256 A CA -0.244 51.811 52.037 0.030 0.000 0.804 256 A CB 0.483 19.489 19.000 0.011 0.000 1.064 256 A HN 0.935 nan 8.150 nan 0.000 0.499 257 V N 0.371 120.345 119.914 0.099 0.000 3.645 257 V HA 0.287 4.407 4.120 0.001 0.000 0.275 257 V C 0.598 176.837 176.094 0.242 0.000 1.356 257 V CA 1.104 63.502 62.300 0.164 0.000 1.051 257 V CB -0.745 31.242 31.823 0.274 0.000 0.828 257 V HN 1.056 nan 8.190 nan 0.000 0.441 258 T N -0.631 114.020 114.554 0.163 0.000 2.906 258 T HA 0.812 5.162 4.350 0.001 0.000 0.295 258 T C -1.063 173.669 174.700 0.054 0.000 1.075 258 T CA -0.674 61.520 62.100 0.157 0.000 1.005 258 T CB 2.517 71.426 68.868 0.069 0.000 1.136 258 T HN 0.264 nan 8.240 nan 0.000 0.498 259 L N 1.458 122.724 121.223 0.071 0.000 2.424 259 L HA 0.821 5.161 4.340 0.001 0.000 0.258 259 L C -0.330 176.624 176.870 0.140 0.000 0.995 259 L CA -1.068 53.811 54.840 0.066 0.000 0.821 259 L CB 2.589 44.654 42.059 0.010 0.000 1.383 259 L HN 1.063 nan 8.230 nan 0.000 0.410 260 S N -0.259 115.545 115.700 0.172 0.000 2.627 260 S HA 0.981 5.451 4.470 0.001 0.000 0.283 260 S C -0.663 174.137 174.600 0.334 0.000 1.127 260 S CA -0.238 58.085 58.200 0.205 0.000 0.863 260 S CB 2.441 65.658 63.200 0.028 0.000 1.121 260 S HN 0.934 nan 8.310 nan 0.000 0.479 261 G N -0.062 108.937 108.800 0.332 0.000 2.866 261 G HA2 0.678 4.639 3.960 0.001 0.000 0.289 261 G HA3 0.678 4.639 3.960 0.001 0.000 0.289 261 G C -2.663 172.396 174.900 0.265 0.000 1.396 261 G CA -1.456 43.885 45.100 0.401 0.000 0.848 261 G HN 0.505 nan 8.290 nan 0.000 0.515 262 P HA 0.064 nan 4.420 nan 0.000 0.233 262 P C 0.776 178.182 177.300 0.176 0.000 1.167 262 P CA 0.951 64.150 63.100 0.166 0.000 0.770 262 P CB 0.223 32.000 31.700 0.129 0.000 0.837 263 D N -1.068 119.470 120.400 0.230 0.000 2.347 263 D HA 0.112 4.753 4.640 0.001 0.000 0.213 263 D C 1.177 177.706 176.300 0.382 0.000 0.985 263 D CA 0.835 55.008 54.000 0.289 0.000 0.879 263 D CB 0.124 41.083 40.800 0.265 0.000 0.919 263 D HN 0.215 nan 8.370 nan 0.000 0.526 264 G N -0.112 108.875 108.800 0.313 0.000 2.247 264 G HA2 0.224 4.184 3.960 0.001 0.000 0.229 264 G HA3 0.224 4.184 3.960 0.001 0.000 0.229 264 G C -1.641 173.436 174.900 0.296 0.000 1.345 264 G CA -0.385 44.819 45.100 0.174 0.000 1.100 264 G HN 0.415 nan 8.290 nan 0.000 0.473 265 Y N -0.626 119.691 120.300 0.028 0.000 2.644 265 Y HA 0.833 5.384 4.550 0.001 0.000 0.338 265 Y C -0.669 175.420 175.900 0.314 0.000 1.119 265 Y CA -1.365 56.820 58.100 0.141 0.000 1.060 265 Y CB 1.209 39.649 38.460 -0.033 0.000 1.294 265 Y HN 1.336 nan 8.280 nan 0.000 0.472 266 I N 0.391 121.200 120.570 0.399 0.000 2.693 266 I HA 0.656 4.827 4.170 0.001 0.000 0.303 266 I C -1.906 174.504 176.117 0.489 0.000 1.025 266 I CA -1.494 60.019 61.300 0.355 0.000 1.086 266 I CB 1.998 40.204 38.000 0.343 0.000 1.268 266 I HN 0.682 nan 8.210 nan 0.000 0.440 267 Y N 4.027 124.508 120.300 0.302 0.000 2.326 267 Y HA 0.598 5.148 4.550 0.001 0.000 0.329 267 Y C -1.475 174.563 175.900 0.230 0.000 0.973 267 Y CA -1.378 56.910 58.100 0.312 0.000 1.162 267 Y CB 1.333 40.051 38.460 0.431 0.000 1.147 267 Y HN 0.780 nan 8.280 nan 0.000 0.456 268 D N 9.164 129.443 120.400 -0.202 0.000 2.434 268 D HA 0.325 4.966 4.640 0.001 0.000 0.275 268 D C -2.127 173.936 176.300 -0.395 0.000 1.172 268 D CA -2.397 51.466 54.000 -0.228 0.000 0.916 268 D CB 1.591 42.427 40.800 0.060 0.000 1.041 268 D HN 0.337 nan 8.370 nan 0.000 0.501 269 P HA -0.107 nan 4.420 nan 0.000 0.223 269 P C 0.968 178.191 177.300 -0.129 0.000 1.144 269 P CA 0.836 63.677 63.100 -0.431 0.000 0.783 269 P CB 0.507 31.998 31.700 -0.349 0.000 0.771 270 E N -0.615 119.511 120.200 -0.124 0.000 2.371 270 E HA 0.212 4.563 4.350 0.001 0.000 0.194 270 E C 0.479 177.057 176.600 -0.036 0.000 1.012 270 E CA 0.307 56.673 56.400 -0.057 0.000 0.860 270 E CB -0.159 29.509 29.700 -0.053 0.000 0.811 270 E HN 0.212 nan 8.360 nan 0.000 0.502 271 G N 1.093 109.871 108.800 -0.036 0.000 2.907 271 G HA2 -0.206 3.754 3.960 0.001 0.000 0.686 271 G HA3 -0.206 3.754 3.960 0.001 0.000 0.686 271 G C -0.419 174.470 174.900 -0.018 0.000 1.115 271 G CA -0.726 44.366 45.100 -0.014 0.000 0.760 271 G HN 0.131 nan 8.290 nan 0.000 0.620 272 I N 2.564 123.129 120.570 -0.008 0.000 2.270 272 I HA 0.258 4.428 4.170 0.001 0.000 0.294 272 I C 1.642 177.755 176.117 -0.007 0.000 1.164 272 I CA 0.684 61.984 61.300 -0.001 0.000 1.680 272 I CB 0.185 38.178 38.000 -0.012 0.000 1.494 272 I HN 0.691 nan 8.210 nan 0.000 0.767 273 T N -1.747 112.794 114.554 -0.021 0.000 3.200 273 T HA 0.182 4.532 4.350 0.001 0.000 0.284 273 T C 0.443 175.136 174.700 -0.012 0.000 1.009 273 T CA -0.311 61.779 62.100 -0.017 0.000 0.907 273 T CB -0.131 68.726 68.868 -0.018 0.000 1.120 273 T HN 0.410 nan 8.240 nan 0.000 0.534 274 T N -2.052 112.494 114.554 -0.012 0.000 2.908 274 T HA 0.504 4.855 4.350 0.001 0.000 0.290 274 T C 0.787 175.515 174.700 0.047 0.000 1.034 274 T CA -0.710 61.393 62.100 0.005 0.000 1.010 274 T CB 2.430 71.289 68.868 -0.015 0.000 1.068 274 T HN 0.036 nan 8.240 nan 0.000 0.481 275 E N 0.527 120.767 120.200 0.068 0.000 2.097 275 E HA -0.238 4.113 4.350 0.001 0.000 0.196 275 E C 1.740 178.432 176.600 0.154 0.000 1.000 275 E CA 1.615 58.081 56.400 0.111 0.000 0.804 275 E CB 0.062 29.819 29.700 0.095 0.000 0.740 275 E HN 0.864 nan 8.360 nan 0.000 0.454 276 E N 0.395 120.679 120.200 0.140 0.000 2.051 276 E HA -0.209 4.141 4.350 0.001 0.000 0.192 276 E C 1.954 178.739 176.600 0.308 0.000 0.991 276 E CA 1.110 57.638 56.400 0.212 0.000 0.799 276 E CB 0.148 29.966 29.700 0.196 0.000 0.748 276 E HN 0.119 nan 8.360 nan 0.000 0.449 277 K N 0.242 120.693 120.400 0.086 0.000 2.025 277 K HA -0.094 4.227 4.320 0.001 0.000 0.207 277 K C 2.290 179.066 176.600 0.293 0.000 1.049 277 K CA 1.205 57.463 56.287 -0.049 0.000 0.933 277 K CB -0.113 32.201 32.500 -0.310 0.000 0.714 277 K HN 0.190 nan 8.250 nan 0.000 0.438 278 I N 1.864 122.573 120.570 0.232 0.000 2.142 278 I HA -0.312 3.859 4.170 0.001 0.000 0.240 278 I C 1.809 178.185 176.117 0.432 0.000 1.078 278 I CA 1.155 62.641 61.300 0.310 0.000 1.343 278 I CB -0.406 37.728 38.000 0.224 0.000 1.046 278 I HN 0.223 nan 8.210 nan 0.000 0.405 279 N N 0.202 119.122 118.700 0.367 0.000 2.289 279 N HA -0.232 4.509 4.740 0.001 0.000 0.184 279 N C 1.788 177.459 175.510 0.269 0.000 1.016 279 N CA 1.103 54.334 53.050 0.302 0.000 0.872 279 N CB -0.498 38.131 38.487 0.237 0.000 0.973 279 N HN 0.365 nan 8.380 nan 0.000 0.433 280 Y N 1.760 122.214 120.300 0.256 0.000 2.193 280 Y HA -0.124 4.426 4.550 0.001 0.000 0.285 280 Y C 2.341 178.381 175.900 0.234 0.000 1.166 280 Y CA 1.288 59.545 58.100 0.262 0.000 1.181 280 Y CB -0.375 38.355 38.460 0.450 0.000 0.976 280 Y HN -0.022 nan 8.280 nan 0.000 0.520 281 M N -0.780 118.919 119.600 0.165 0.000 2.082 281 M HA -0.319 4.162 4.480 0.001 0.000 0.258 281 M C 2.178 178.459 176.300 -0.033 0.000 1.069 281 M CA 1.916 57.284 55.300 0.112 0.000 1.102 281 M CB -0.575 32.208 32.600 0.305 0.000 1.336 281 M HN 0.310 nan 8.290 nan 0.000 0.404 282 L N -0.097 121.056 121.223 -0.117 0.000 2.012 282 L HA -0.246 4.095 4.340 0.001 0.000 0.210 282 L C 2.525 179.295 176.870 -0.167 0.000 1.073 282 L CA 1.594 56.289 54.840 -0.241 0.000 0.748 282 L CB -1.050 40.822 42.059 -0.312 0.000 0.891 282 L HN 0.425 nan 8.230 nan 0.000 0.431 283 E N -0.096 120.002 120.200 -0.170 0.000 2.153 283 E HA -0.234 4.117 4.350 0.001 0.000 0.194 283 E C 2.164 178.628 176.600 -0.226 0.000 0.988 283 E CA 1.219 57.515 56.400 -0.173 0.000 0.811 283 E CB -0.305 29.324 29.700 -0.118 0.000 0.746 283 E HN 0.568 nan 8.360 nan 0.000 0.466 284 M N 0.584 119.972 119.600 -0.354 0.000 2.175 284 M HA -0.075 4.405 4.480 0.001 0.000 0.264 284 M C 2.533 178.889 176.300 0.095 0.000 1.063 284 M CA 1.163 56.323 55.300 -0.233 0.000 1.119 284 M CB -0.196 32.184 32.600 -0.365 0.000 1.377 284 M HN -0.011 nan 8.290 nan 0.000 0.415 285 R N 0.290 120.864 120.500 0.125 0.000 2.091 285 R HA -0.145 4.195 4.340 0.001 0.000 0.238 285 R C 2.230 178.541 176.300 0.019 0.000 1.136 285 R CA 1.763 57.920 56.100 0.095 0.000 0.959 285 R CB -0.344 29.935 30.300 -0.035 0.000 0.856 285 R HN 0.398 nan 8.270 nan 0.000 0.437 286 A N 0.676 123.479 122.820 -0.029 0.000 1.841 286 A HA -0.210 4.111 4.320 0.001 0.000 0.214 286 A C 2.130 179.705 177.584 -0.016 0.000 1.195 286 A CA 2.059 54.074 52.037 -0.037 0.000 0.611 286 A CB -0.965 18.002 19.000 -0.055 0.000 0.835 286 A HN 0.551 nan 8.150 nan 0.000 0.443 287 S N -0.807 114.883 115.700 -0.017 0.000 2.426 287 S HA -0.095 4.375 4.470 0.001 0.000 0.253 287 S C 1.905 176.508 174.600 0.005 0.000 1.104 287 S CA 2.506 60.700 58.200 -0.009 0.000 1.158 287 S CB -1.393 61.795 63.200 -0.019 0.000 1.043 287 S HN 2.360 nan 8.310 nan 0.000 0.443 288 G N 0.552 109.367 108.800 0.025 0.000 2.141 288 G HA2 -0.265 3.695 3.960 0.001 0.000 0.242 288 G HA3 -0.265 3.695 3.960 0.001 0.000 0.242 288 G C 0.739 175.660 174.900 0.035 0.000 0.982 288 G CA 0.463 45.579 45.100 0.026 0.000 0.662 288 G HN 0.648 nan 8.290 nan 0.000 0.527 289 R N -0.181 120.343 120.500 0.040 0.000 2.200 289 R HA 0.147 4.488 4.340 0.001 0.000 0.208 289 R C 1.542 177.882 176.300 0.068 0.000 1.033 289 R CA 0.474 56.592 56.100 0.031 0.000 1.000 289 R CB -0.084 30.216 30.300 -0.001 0.000 0.906 289 R HN 0.333 nan 8.270 nan 0.000 0.462 290 N N 1.001 119.788 118.700 0.144 0.000 2.725 290 N HA -0.181 4.560 4.740 0.001 0.000 0.249 290 N C -1.445 174.214 175.510 0.249 0.000 1.103 290 N CA 1.046 54.251 53.050 0.259 0.000 0.707 290 N CB -0.657 37.918 38.487 0.146 0.000 1.043 290 N HN 0.230 nan 8.380 nan 0.000 0.553 291 K N -0.475 119.975 120.400 0.083 0.000 2.376 291 K HA 0.377 4.697 4.320 0.001 0.000 0.257 291 K C 0.775 177.182 176.600 -0.323 0.000 0.939 291 K CA -0.612 55.639 56.287 -0.060 0.000 0.809 291 K CB 2.260 34.697 32.500 -0.105 0.000 1.121 291 K HN -0.065 nan 8.250 nan 0.000 0.425 292 V N 3.331 123.111 119.914 -0.223 0.000 2.548 292 V HA -0.216 3.904 4.120 0.001 0.000 0.249 292 V C 2.141 178.123 176.094 -0.187 0.000 1.055 292 V CA 1.841 63.985 62.300 -0.260 0.000 1.065 292 V CB -0.144 31.721 31.823 0.071 0.000 0.681 292 V HN 0.825 nan 8.190 nan 0.000 0.462 293 Q N -0.507 119.051 119.800 -0.403 0.000 2.217 293 Q HA -0.302 4.039 4.340 0.001 0.000 0.209 293 Q C 1.766 177.587 176.000 -0.299 0.000 0.988 293 Q CA 2.251 57.618 55.803 -0.727 0.000 0.878 293 Q CB -0.112 27.922 28.738 -1.174 0.000 0.909 293 Q HN 0.684 nan 8.270 nan 0.000 0.424 294 D N -0.874 119.419 120.400 -0.178 0.000 2.158 294 D HA -0.200 4.440 4.640 0.001 0.000 0.197 294 D C 1.333 177.730 176.300 0.161 0.000 0.995 294 D CA 1.086 55.073 54.000 -0.022 0.000 0.846 294 D CB -0.289 40.512 40.800 0.002 0.000 0.941 294 D HN 0.413 nan 8.370 nan 0.000 0.456 295 Y N 0.994 121.361 120.300 0.112 0.000 2.220 295 Y HA -0.068 4.483 4.550 0.001 0.000 0.291 295 Y C 2.227 178.222 175.900 0.159 0.000 1.129 295 Y CA 1.495 59.774 58.100 0.299 0.000 1.161 295 Y CB -0.331 38.311 38.460 0.302 0.000 0.997 295 Y HN -0.049 nan 8.280 nan 0.000 0.522 296 A N 0.278 123.260 122.820 0.269 0.000 1.883 296 A HA -0.220 4.101 4.320 0.001 0.000 0.217 296 A C 1.985 179.548 177.584 -0.036 0.000 1.186 296 A CA 2.097 54.223 52.037 0.148 0.000 0.624 296 A CB -0.947 18.129 19.000 0.126 0.000 0.822 296 A HN 0.532 nan 8.150 nan 0.000 0.444 297 D N -0.433 119.905 120.400 -0.104 0.000 2.123 297 D HA -0.149 4.492 4.640 0.001 0.000 0.196 297 D C 1.929 178.070 176.300 -0.265 0.000 0.992 297 D CA 1.259 55.161 54.000 -0.163 0.000 0.833 297 D CB -0.192 40.512 40.800 -0.159 0.000 0.954 297 D HN 0.360 nan 8.370 nan 0.000 0.455 298 K N -0.164 119.987 120.400 -0.415 0.000 2.025 298 K HA -0.072 4.249 4.320 0.001 0.000 0.207 298 K C 1.607 177.654 176.600 -0.922 0.000 1.049 298 K CA 0.779 56.577 56.287 -0.815 0.000 0.933 298 K CB -0.148 31.473 32.500 -1.465 0.000 0.714 298 K HN 0.145 nan 8.250 nan 0.000 0.438 299 F N -0.041 119.627 119.950 -0.470 0.000 2.695 299 F HA 0.246 4.774 4.527 0.001 0.000 0.303 299 F C 1.049 176.712 175.800 -0.228 0.000 1.091 299 F CA 0.335 58.098 58.000 -0.397 0.000 1.300 299 F CB 0.337 38.977 39.000 -0.601 0.000 1.071 299 F HN 0.204 nan 8.300 nan 0.000 0.578 300 G N 1.778 110.538 108.800 -0.066 0.000 2.314 300 G HA2 -0.142 3.819 3.960 0.001 0.000 0.292 300 G HA3 -0.142 3.819 3.960 0.001 0.000 0.292 300 G C -0.035 174.872 174.900 0.012 0.000 1.059 300 G CA 0.286 45.365 45.100 -0.035 0.000 0.982 300 G HN 0.520 nan 8.290 nan 0.000 0.505 301 V N -4.120 115.828 119.914 0.056 0.000 3.177 301 V HA 0.785 4.905 4.120 0.001 0.000 0.319 301 V C 0.572 176.701 176.094 0.058 0.000 1.125 301 V CA -1.364 60.983 62.300 0.077 0.000 1.029 301 V CB 1.759 33.670 31.823 0.148 0.000 1.119 301 V HN 0.303 nan 8.190 nan 0.000 0.452 302 Q N 1.141 120.957 119.800 0.027 0.000 2.311 302 Q HA 0.288 4.628 4.340 0.001 0.000 0.272 302 Q C -1.407 174.480 176.000 -0.188 0.000 1.012 302 Q CA 0.198 55.915 55.803 -0.144 0.000 0.891 302 Q CB 1.059 29.703 28.738 -0.157 0.000 1.201 302 Q HN 0.732 nan 8.270 nan 0.000 0.391 303 F N 3.831 123.479 119.950 -0.505 0.000 2.482 303 F HA 0.392 4.919 4.527 0.001 0.000 0.331 303 F C -1.426 173.958 175.800 -0.693 0.000 1.115 303 F CA -1.188 56.565 58.000 -0.412 0.000 0.955 303 F CB 0.732 39.625 39.000 -0.179 0.000 1.136 303 F HN 0.342 nan 8.300 nan 0.000 0.452 304 F N 7.072 126.259 119.950 -1.271 0.000 2.451 304 F HA 0.383 4.910 4.527 0.001 0.000 0.367 304 F C -2.272 172.868 175.800 -1.099 0.000 1.100 304 F CA -2.664 54.735 58.000 -1.001 0.000 1.171 304 F CB 0.370 38.855 39.000 -0.859 0.000 1.405 304 F HN 0.273 nan 8.300 nan 0.000 0.482 305 P HA 0.060 nan 4.420 nan 0.000 0.261 305 P C 0.983 178.211 177.300 -0.121 0.000 1.173 305 P CA 0.980 63.814 63.100 -0.442 0.000 0.760 305 P CB 0.792 32.456 31.700 -0.059 0.000 0.783 306 G N 1.408 110.211 108.800 0.005 0.000 2.168 306 G HA2 -0.258 3.703 3.960 0.001 0.000 0.263 306 G HA3 -0.258 3.703 3.960 0.001 0.000 0.263 306 G C -0.036 174.891 174.900 0.046 0.000 0.977 306 G CA 0.120 45.246 45.100 0.043 0.000 0.659 306 G HN 0.607 nan 8.290 nan 0.000 0.533 307 E N -0.542 119.694 120.200 0.060 0.000 2.281 307 E HA 0.619 4.969 4.350 0.001 0.000 0.262 307 E C -0.011 176.667 176.600 0.130 0.000 0.933 307 E CA -0.912 55.551 56.400 0.105 0.000 0.809 307 E CB 1.360 31.156 29.700 0.161 0.000 1.242 307 E HN 0.221 nan 8.360 nan 0.000 0.418 308 K N 1.137 121.494 120.400 -0.072 0.000 2.123 308 K HA 0.306 4.627 4.320 0.001 0.000 0.248 308 K C -2.004 174.002 176.600 -0.990 0.000 0.969 308 K CA -1.797 54.235 56.287 -0.425 0.000 0.882 308 K CB 1.282 33.588 32.500 -0.324 0.000 1.080 308 K HN 0.205 nan 8.250 nan 0.000 0.441 309 P HA 0.020 nan 4.420 nan 0.000 0.257 309 P C -0.210 176.502 177.300 -0.981 0.000 1.281 309 P CA 0.162 62.178 63.100 -1.805 0.000 0.826 309 P CB -0.049 30.754 31.700 -1.494 0.000 1.237 310 W N 0.013 121.110 121.300 -0.338 0.000 2.848 310 W HA 0.155 4.816 4.660 0.001 0.000 0.241 310 W C 1.796 178.221 176.519 -0.157 0.000 1.289 310 W CA 0.222 57.459 57.345 -0.180 0.000 1.396 310 W CB -0.780 28.630 29.460 -0.084 0.000 1.138 310 W HN 0.043 nan 8.180 nan 0.000 0.677 311 G N -0.615 108.123 108.800 -0.102 0.000 3.126 311 G HA2 -0.003 3.957 3.960 0.001 0.000 0.224 311 G HA3 -0.003 3.957 3.960 0.001 0.000 0.224 311 G C 0.653 175.472 174.900 -0.135 0.000 1.142 311 G CA -0.289 44.757 45.100 -0.091 0.000 0.759 311 G HN -0.023 nan 8.290 nan 0.000 0.550 312 Q N 0.620 120.298 119.800 -0.202 0.000 2.314 312 Q HA 0.232 4.573 4.340 0.001 0.000 0.258 312 Q C -0.484 175.459 176.000 -0.094 0.000 0.954 312 Q CA -0.180 55.492 55.803 -0.218 0.000 0.890 312 Q CB 1.859 30.398 28.738 -0.332 0.000 1.210 312 Q HN 0.076 nan 8.270 nan 0.000 0.410 313 K N 2.368 122.718 120.400 -0.083 0.000 2.285 313 K HA 0.311 4.632 4.320 0.001 0.000 0.286 313 K C -0.766 175.845 176.600 0.019 0.000 1.072 313 K CA -0.310 55.969 56.287 -0.013 0.000 0.913 313 K CB 0.182 32.679 32.500 -0.005 0.000 1.067 313 K HN 0.427 nan 8.250 nan 0.000 0.479 314 V N -0.014 119.933 119.914 0.056 0.000 3.182 314 V HA 0.505 4.626 4.120 0.001 0.000 0.308 314 V C -0.001 176.158 176.094 0.107 0.000 1.240 314 V CA -0.601 61.752 62.300 0.088 0.000 1.063 314 V CB 2.095 33.979 31.823 0.102 0.000 1.076 314 V HN 0.661 nan 8.190 nan 0.000 0.446 315 D N 0.240 120.715 120.400 0.124 0.000 2.201 315 D HA 0.286 4.926 4.640 0.001 0.000 0.209 315 D C 0.405 176.844 176.300 0.233 0.000 0.961 315 D CA 1.637 55.738 54.000 0.169 0.000 0.861 315 D CB 0.618 41.511 40.800 0.156 0.000 0.997 315 D HN 0.547 nan 8.370 nan 0.000 0.486 316 I N 1.630 122.302 120.570 0.170 0.000 2.498 316 I HA 0.215 4.385 4.170 0.001 0.000 0.290 316 I C -0.634 175.557 176.117 0.124 0.000 1.032 316 I CA -0.739 60.656 61.300 0.158 0.000 1.073 316 I CB 2.937 40.977 38.000 0.068 0.000 1.251 316 I HN -0.274 nan 8.210 nan 0.000 0.426 317 I N 6.578 127.209 120.570 0.102 0.000 2.321 317 I HA 0.419 4.590 4.170 0.001 0.000 0.291 317 I C -0.330 175.715 176.117 -0.119 0.000 0.998 317 I CA -0.327 61.006 61.300 0.055 0.000 1.227 317 I CB 1.285 39.299 38.000 0.024 0.000 1.368 317 I HN 0.581 nan 8.210 nan 0.000 0.466 318 M N 8.411 127.995 119.600 -0.027 0.000 1.996 318 M HA 0.277 4.757 4.480 0.001 0.000 0.268 318 M C -2.649 173.650 176.300 -0.002 0.000 0.888 318 M CA -1.455 53.786 55.300 -0.099 0.000 0.939 318 M CB 2.159 34.737 32.600 -0.037 0.000 1.736 318 M HN 0.152 nan 8.290 nan 0.000 0.407 319 P HA 0.159 nan 4.420 nan 0.000 0.276 319 P C -0.200 177.113 177.300 0.021 0.000 1.253 319 P CA -0.223 62.901 63.100 0.041 0.000 0.766 319 P CB 0.612 32.223 31.700 -0.149 0.000 0.845 320 C N 3.245 122.595 119.300 0.085 0.000 2.849 320 C HA 0.591 5.052 4.460 0.001 0.000 0.271 320 C C 1.407 176.416 174.990 0.032 0.000 1.519 320 C CA 0.461 59.501 59.018 0.037 0.000 1.783 320 C CB -1.157 26.608 27.740 0.041 0.000 2.869 320 C HN 0.619 nan 8.230 nan 0.000 0.527 321 A N 0.944 123.796 122.820 0.053 0.000 2.218 321 A HA 0.622 4.943 4.320 0.001 0.000 0.198 321 A C 0.700 178.299 177.584 0.025 0.000 1.857 321 A CA 0.568 52.623 52.037 0.031 0.000 1.620 321 A CB -0.717 18.316 19.000 0.056 0.000 1.424 321 A HN 0.377 nan 8.150 nan 0.000 0.562 322 T N -0.580 114.005 114.554 0.052 0.000 2.882 322 T HA 0.494 4.844 4.350 0.001 0.000 0.287 322 T C 0.000 174.725 174.700 0.041 0.000 1.014 322 T CA -0.407 61.719 62.100 0.043 0.000 1.049 322 T CB 0.794 69.695 68.868 0.055 0.000 1.001 322 T HN 0.467 nan 8.240 nan 0.000 0.525 323 Q N 0.992 120.809 119.800 0.028 0.000 2.340 323 Q HA 0.133 4.473 4.340 0.001 0.000 0.249 323 Q C 0.122 176.139 176.000 0.028 0.000 0.957 323 Q CA -0.263 55.552 55.803 0.021 0.000 0.882 323 Q CB 0.364 29.112 28.738 0.016 0.000 1.235 323 Q HN 0.801 nan 8.270 nan 0.000 0.439 324 N N 1.769 120.481 118.700 0.020 0.000 2.714 324 N HA -0.235 4.505 4.740 0.001 0.000 0.250 324 N C 0.138 175.674 175.510 0.044 0.000 1.117 324 N CA 1.043 54.105 53.050 0.020 0.000 0.719 324 N CB -0.742 37.753 38.487 0.014 0.000 1.081 324 N HN 0.682 nan 8.380 nan 0.000 0.557 325 D N 0.438 120.878 120.400 0.066 0.000 2.084 325 D HA -0.049 4.592 4.640 0.001 0.000 0.194 325 D C 0.329 176.704 176.300 0.125 0.000 0.990 325 D CA 1.076 55.161 54.000 0.142 0.000 0.826 325 D CB 0.265 41.192 40.800 0.212 0.000 0.971 325 D HN 0.181 nan 8.370 nan 0.000 0.453 326 V N 3.079 122.988 119.914 -0.007 0.000 2.368 326 V HA 0.189 4.310 4.120 0.001 0.000 0.266 326 V C -0.177 175.878 176.094 -0.065 0.000 1.045 326 V CA -0.593 61.645 62.300 -0.103 0.000 0.899 326 V CB 1.032 32.689 31.823 -0.276 0.000 1.006 326 V HN 0.194 nan 8.190 nan 0.000 0.470 327 D N 3.575 123.951 120.400 -0.041 0.000 2.487 327 D HA 0.252 4.893 4.640 0.001 0.000 0.262 327 D C 1.267 177.504 176.300 -0.104 0.000 1.130 327 D CA -0.896 53.070 54.000 -0.057 0.000 1.038 327 D CB 0.985 41.767 40.800 -0.030 0.000 1.142 327 D HN 0.203 nan 8.370 nan 0.000 0.575 328 L N -0.511 120.631 121.223 -0.135 0.000 2.051 328 L HA -0.238 4.103 4.340 0.001 0.000 0.214 328 L C 2.156 178.886 176.870 -0.233 0.000 1.076 328 L CA 2.091 56.791 54.840 -0.234 0.000 0.758 328 L CB -0.297 41.617 42.059 -0.242 0.000 0.890 328 L HN 0.684 nan 8.230 nan 0.000 0.433 329 E N -0.921 119.196 120.200 -0.140 0.000 2.051 329 E HA -0.269 4.082 4.350 0.001 0.000 0.192 329 E C 2.095 178.658 176.600 -0.062 0.000 0.991 329 E CA 1.237 57.577 56.400 -0.100 0.000 0.799 329 E CB 0.096 29.764 29.700 -0.054 0.000 0.748 329 E HN 0.479 nan 8.360 nan 0.000 0.449 330 Q N -0.054 119.734 119.800 -0.020 0.000 2.124 330 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 330 Q C 2.106 178.102 176.000 -0.006 0.000 0.977 330 Q CA 1.331 57.162 55.803 0.047 0.000 0.850 330 Q CB -0.405 28.405 28.738 0.119 0.000 0.901 330 Q HN 0.384 nan 8.270 nan 0.000 0.429 331 A N 1.654 124.424 122.820 -0.084 0.000 1.933 331 A HA -0.179 4.142 4.320 0.001 0.000 0.218 331 A C 2.079 179.674 177.584 0.019 0.000 1.175 331 A CA 1.344 53.337 52.037 -0.074 0.000 0.628 331 A CB -0.268 18.677 19.000 -0.091 0.000 0.814 331 A HN 0.240 nan 8.150 nan 0.000 0.444 332 K N 0.050 120.404 120.400 -0.076 0.000 2.097 332 K HA -0.125 4.196 4.320 0.001 0.000 0.206 332 K C 1.924 178.544 176.600 0.032 0.000 1.049 332 K CA 1.351 57.625 56.287 -0.022 0.000 0.933 332 K CB -0.213 32.206 32.500 -0.135 0.000 0.717 332 K HN 0.443 nan 8.250 nan 0.000 0.442 333 K N 0.877 121.288 120.400 0.018 0.000 2.063 333 K HA -0.110 4.211 4.320 0.001 0.000 0.208 333 K C 2.211 178.843 176.600 0.052 0.000 1.048 333 K CA 1.247 57.555 56.287 0.035 0.000 0.928 333 K CB -0.212 32.317 32.500 0.049 0.000 0.713 333 K HN 0.143 nan 8.250 nan 0.000 0.442 334 I N 0.547 121.156 120.570 0.065 0.000 2.202 334 I HA -0.244 3.926 4.170 0.001 0.000 0.242 334 I C 2.347 178.496 176.117 0.053 0.000 1.091 334 I CA 0.840 62.181 61.300 0.069 0.000 1.368 334 I CB -0.227 37.808 38.000 0.058 0.000 1.058 334 I HN -0.087 nan 8.210 nan 0.000 0.410 335 V N 1.116 121.071 119.914 0.069 0.000 2.287 335 V HA -0.324 3.796 4.120 0.001 0.000 0.248 335 V C 2.718 178.837 176.094 0.043 0.000 1.053 335 V CA 2.096 64.430 62.300 0.056 0.000 1.027 335 V CB -0.872 31.033 31.823 0.137 0.000 0.646 335 V HN 0.511 nan 8.190 nan 0.000 0.447 336 A N -0.304 122.551 122.820 0.057 0.000 1.978 336 A HA -0.236 4.084 4.320 0.001 0.000 0.220 336 A C 1.943 179.541 177.584 0.024 0.000 1.170 336 A CA 1.936 53.995 52.037 0.037 0.000 0.636 336 A CB -0.609 18.411 19.000 0.032 0.000 0.810 336 A HN 0.646 nan 8.150 nan 0.000 0.448 337 N N 0.014 118.730 118.700 0.027 0.000 2.398 337 N HA -0.043 4.698 4.740 0.001 0.000 0.188 337 N C -0.428 175.094 175.510 0.020 0.000 1.122 337 N CA 0.177 53.240 53.050 0.023 0.000 0.866 337 N CB -0.148 38.356 38.487 0.029 0.000 0.970 337 N HN 0.421 nan 8.380 nan 0.000 0.462 338 N N 0.792 119.499 118.700 0.012 0.000 2.725 338 N HA -0.153 4.588 4.740 0.001 0.000 0.251 338 N C -0.863 174.646 175.510 -0.001 0.000 1.031 338 N CA 0.278 53.326 53.050 -0.002 0.000 0.720 338 N CB -1.051 37.433 38.487 -0.005 0.000 0.930 338 N HN -0.033 nan 8.380 nan 0.000 0.543 339 V N 0.943 120.865 119.914 0.012 0.000 2.583 339 V HA 0.080 4.200 4.120 0.001 0.000 0.287 339 V C 1.596 177.675 176.094 -0.026 0.000 1.051 339 V CA 0.123 62.441 62.300 0.029 0.000 1.010 339 V CB 2.070 33.941 31.823 0.081 0.000 0.988 339 V HN 0.249 nan 8.190 nan 0.000 0.478 340 K N 2.938 123.275 120.400 -0.104 0.000 2.276 340 K HA 0.094 4.414 4.320 0.001 0.000 0.198 340 K C -0.425 175.978 176.600 -0.329 0.000 1.052 340 K CA 0.447 56.550 56.287 -0.308 0.000 0.984 340 K CB 0.283 32.438 32.500 -0.576 0.000 0.836 340 K HN 0.625 nan 8.250 nan 0.000 0.490 341 Y N 0.274 120.631 120.300 0.095 0.000 2.342 341 Y HA 0.225 4.776 4.550 0.001 0.000 0.338 341 Y C -1.110 174.861 175.900 0.117 0.000 0.965 341 Y CA -1.076 57.087 58.100 0.104 0.000 1.159 341 Y CB 0.881 39.390 38.460 0.081 0.000 1.157 341 Y HN -0.037 nan 8.280 nan 0.000 0.486 342 Y N 5.051 125.426 120.300 0.125 0.000 2.464 342 Y HA 0.562 5.113 4.550 0.001 0.000 0.326 342 Y C -1.314 174.594 175.900 0.014 0.000 0.969 342 Y CA -1.253 56.860 58.100 0.022 0.000 1.270 342 Y CB 0.541 38.977 38.460 -0.039 0.000 1.103 342 Y HN 0.429 nan 8.280 nan 0.000 0.491 343 I N 6.124 126.447 120.570 -0.413 0.000 2.371 343 I HA 0.228 4.399 4.170 0.001 0.000 0.282 343 I C -0.099 175.754 176.117 -0.440 0.000 1.031 343 I CA -0.690 60.431 61.300 -0.299 0.000 1.180 343 I CB 1.036 38.953 38.000 -0.140 0.000 1.336 343 I HN 0.641 nan 8.210 nan 0.000 0.467 344 E N 3.935 123.901 120.200 -0.390 0.000 2.376 344 E HA 0.149 4.500 4.350 0.001 0.000 0.266 344 E C 0.343 176.811 176.600 -0.220 0.000 1.009 344 E CA -0.024 56.195 56.400 -0.302 0.000 0.902 344 E CB 2.017 31.624 29.700 -0.155 0.000 0.972 344 E HN 0.408 nan 8.360 nan 0.000 0.439 345 V N 2.401 122.211 119.914 -0.173 0.000 2.948 345 V HA 0.102 4.222 4.120 0.001 0.000 0.234 345 V C 0.733 176.773 176.094 -0.090 0.000 1.205 345 V CA 0.667 62.890 62.300 -0.129 0.000 1.234 345 V CB 0.035 31.797 31.823 -0.100 0.000 1.020 345 V HN 0.720 nan 8.190 nan 0.000 0.491 346 A N 0.975 123.756 122.820 -0.065 0.000 2.366 346 A HA 0.167 4.487 4.320 0.001 0.000 0.250 346 A C 0.359 177.918 177.584 -0.042 0.000 1.099 346 A CA 0.087 52.100 52.037 -0.041 0.000 0.794 346 A CB -0.369 18.620 19.000 -0.017 0.000 1.056 346 A HN 0.598 nan 8.150 nan 0.000 0.499 347 N N 0.073 118.756 118.700 -0.028 0.000 2.497 347 N HA 0.224 4.965 4.740 0.001 0.000 0.268 347 N C 0.358 175.862 175.510 -0.009 0.000 1.171 347 N CA 0.246 53.285 53.050 -0.019 0.000 0.948 347 N CB -0.009 38.474 38.487 -0.006 0.000 1.069 347 N HN 0.804 nan 8.380 nan 0.000 0.460 348 M N 3.692 123.285 119.600 -0.011 0.000 2.259 348 M HA -0.113 4.367 4.480 0.001 0.000 0.188 348 M C -2.099 174.200 176.300 -0.002 0.000 0.665 348 M CA 0.065 55.362 55.300 -0.004 0.000 0.464 348 M CB -0.128 32.474 32.600 0.004 0.000 1.063 348 M HN 0.497 nan 8.290 nan 0.000 0.912 349 P HA 0.140 nan 4.420 nan 0.000 0.249 349 P C -0.439 176.863 177.300 0.004 0.000 1.229 349 P CA 0.666 63.765 63.100 -0.002 0.000 0.788 349 P CB 0.284 31.968 31.700 -0.028 0.000 1.072 350 T N -0.355 114.207 114.554 0.013 0.000 2.824 350 T HA 0.384 4.734 4.350 0.001 0.000 0.282 350 T C 0.118 174.809 174.700 -0.015 0.000 0.993 350 T CA -0.444 61.660 62.100 0.007 0.000 0.967 350 T CB 1.532 70.429 68.868 0.049 0.000 0.960 350 T HN 0.026 nan 8.240 nan 0.000 0.441 351 T N 1.155 115.691 114.554 -0.031 0.000 2.856 351 T HA 0.130 4.480 4.350 0.001 0.000 0.306 351 T C 1.382 176.060 174.700 -0.038 0.000 1.062 351 T CA -0.585 61.495 62.100 -0.033 0.000 1.083 351 T CB 0.468 69.313 68.868 -0.038 0.000 0.984 351 T HN 0.453 nan 8.240 nan 0.000 0.542 352 N N 1.006 119.684 118.700 -0.036 0.000 2.069 352 N HA -0.155 4.586 4.740 0.001 0.000 0.191 352 N C 1.753 177.243 175.510 -0.033 0.000 1.031 352 N CA 1.530 54.558 53.050 -0.036 0.000 0.852 352 N CB -0.360 38.104 38.487 -0.039 0.000 1.018 352 N HN 0.818 nan 8.380 nan 0.000 0.423 353 E N 0.845 121.023 120.200 -0.037 0.000 2.070 353 E HA -0.164 4.186 4.350 0.001 0.000 0.197 353 E C 1.944 178.529 176.600 -0.024 0.000 1.004 353 E CA 1.289 57.668 56.400 -0.036 0.000 0.805 353 E CB -0.030 29.634 29.700 -0.059 0.000 0.744 353 E HN 0.353 nan 8.360 nan 0.000 0.451 354 A N 0.730 123.519 122.820 -0.052 0.000 1.902 354 A HA -0.181 4.140 4.320 0.001 0.000 0.217 354 A C 2.096 179.664 177.584 -0.026 0.000 1.181 354 A CA 1.117 53.123 52.037 -0.052 0.000 0.623 354 A CB -0.646 18.291 19.000 -0.105 0.000 0.818 354 A HN 0.309 nan 8.150 nan 0.000 0.443 355 L N -0.548 120.643 121.223 -0.054 0.000 1.989 355 L HA -0.178 4.163 4.340 0.001 0.000 0.211 355 L C 2.478 179.320 176.870 -0.046 0.000 1.071 355 L CA 1.981 56.779 54.840 -0.070 0.000 0.749 355 L CB -0.722 41.310 42.059 -0.045 0.000 0.890 355 L HN 0.236 nan 8.230 nan 0.000 0.431 356 R N -1.006 119.487 120.500 -0.012 0.000 2.115 356 R HA -0.260 4.081 4.340 0.001 0.000 0.239 356 R C 2.177 178.480 176.300 0.006 0.000 1.133 356 R CA 2.008 58.106 56.100 -0.004 0.000 0.935 356 R CB -1.584 28.726 30.300 0.017 0.000 0.853 356 R HN 0.452 nan 8.270 nan 0.000 0.433 357 F N 0.909 120.794 119.950 -0.107 0.000 2.043 357 F HA -0.197 4.331 4.527 0.001 0.000 0.297 357 F C 2.035 177.756 175.800 -0.131 0.000 1.121 357 F CA 1.675 59.610 58.000 -0.110 0.000 1.199 357 F CB -0.516 38.415 39.000 -0.116 0.000 0.968 357 F HN -0.025 nan 8.300 nan 0.000 0.478 358 L N -0.322 120.804 121.223 -0.162 0.000 2.127 358 L HA -0.273 4.067 4.340 0.001 0.000 0.211 358 L C 2.520 179.223 176.870 -0.279 0.000 1.089 358 L CA 1.127 55.779 54.840 -0.313 0.000 0.757 358 L CB -0.624 41.223 42.059 -0.354 0.000 0.899 358 L HN 0.281 nan 8.230 nan 0.000 0.434 359 M N -0.925 118.556 119.600 -0.198 0.000 2.374 359 M HA -0.179 4.302 4.480 0.001 0.000 0.264 359 M C 1.923 178.126 176.300 -0.160 0.000 1.067 359 M CA 1.439 56.651 55.300 -0.146 0.000 1.103 359 M CB -0.323 32.219 32.600 -0.096 0.000 1.402 359 M HN 0.381 nan 8.290 nan 0.000 0.444 360 Q N -0.190 119.471 119.800 -0.231 0.000 2.389 360 Q HA -0.012 4.329 4.340 0.001 0.000 0.204 360 Q C 0.141 176.000 176.000 -0.235 0.000 0.944 360 Q CA 0.312 55.985 55.803 -0.217 0.000 0.908 360 Q CB 0.214 28.826 28.738 -0.209 0.000 1.002 360 Q HN 0.419 nan 8.270 nan 0.000 0.493 361 Q N 1.582 121.202 119.800 -0.300 0.000 2.286 361 Q HA 0.035 4.375 4.340 0.001 0.000 0.267 361 Q C -1.794 174.119 176.000 -0.145 0.000 1.028 361 Q CA -1.101 54.557 55.803 -0.243 0.000 0.901 361 Q CB 0.406 28.978 28.738 -0.278 0.000 1.183 361 Q HN 0.116 nan 8.270 nan 0.000 0.392 362 P HA -0.098 nan 4.420 nan 0.000 0.221 362 P C 0.658 177.928 177.300 -0.049 0.000 1.155 362 P CA 0.907 63.969 63.100 -0.064 0.000 0.812 362 P CB 0.256 31.925 31.700 -0.052 0.000 0.801 363 N N -0.854 117.806 118.700 -0.067 0.000 2.461 363 N HA -0.003 4.738 4.740 0.001 0.000 0.188 363 N C 0.480 175.936 175.510 -0.090 0.000 1.134 363 N CA 0.333 53.342 53.050 -0.067 0.000 0.878 363 N CB -0.320 38.123 38.487 -0.073 0.000 0.972 363 N HN 0.235 nan 8.380 nan 0.000 0.456 364 M N 0.540 120.091 119.600 -0.081 0.000 2.598 364 M HA 0.362 4.842 4.480 0.001 0.000 0.317 364 M C -0.849 175.439 176.300 -0.021 0.000 1.201 364 M CA -0.905 54.346 55.300 -0.083 0.000 0.971 364 M CB 2.755 35.302 32.600 -0.089 0.000 1.657 364 M HN -0.298 nan 8.290 nan 0.000 0.470 365 V N 2.614 122.530 119.914 0.005 0.000 2.376 365 V HA 0.379 4.500 4.120 0.001 0.000 0.287 365 V C -0.712 175.458 176.094 0.126 0.000 1.015 365 V CA -0.703 61.656 62.300 0.099 0.000 0.834 365 V CB 1.557 33.545 31.823 0.274 0.000 1.001 365 V HN 0.569 nan 8.190 nan 0.000 0.428 366 V N 4.455 124.406 119.914 0.061 0.000 2.357 366 V HA 0.784 4.904 4.120 0.001 0.000 0.284 366 V C 0.372 176.503 176.094 0.062 0.000 1.018 366 V CA -0.438 61.929 62.300 0.111 0.000 0.841 366 V CB 1.618 33.472 31.823 0.052 0.000 0.991 366 V HN 0.925 nan 8.190 nan 0.000 0.437 367 A N 8.038 130.910 122.820 0.087 0.000 2.303 367 A HA 0.926 5.246 4.320 0.001 0.000 0.320 367 A C -2.725 174.829 177.584 -0.049 0.000 1.192 367 A CA -1.855 50.200 52.037 0.028 0.000 0.821 367 A CB 1.302 20.349 19.000 0.079 0.000 1.188 367 A HN 0.577 nan 8.150 nan 0.000 0.492 368 P HA 0.137 nan 4.420 nan 0.000 0.279 368 P C 0.924 178.140 177.300 -0.141 0.000 1.239 368 P CA -0.097 62.957 63.100 -0.077 0.000 0.789 368 P CB 1.314 32.979 31.700 -0.058 0.000 0.933 369 S N 3.385 119.018 115.700 -0.113 0.000 2.399 369 S HA -0.232 4.239 4.470 0.001 0.000 0.231 369 S C 1.619 176.147 174.600 -0.119 0.000 1.022 369 S CA 1.270 59.393 58.200 -0.129 0.000 0.983 369 S CB -0.980 62.167 63.200 -0.088 0.000 0.803 369 S HN 0.610 nan 8.310 nan 0.000 0.480 370 K N 1.865 122.215 120.400 -0.084 0.000 2.152 370 K HA 0.035 4.355 4.320 0.001 0.000 0.206 370 K C 2.053 178.612 176.600 -0.069 0.000 1.048 370 K CA 1.383 57.634 56.287 -0.059 0.000 0.933 370 K CB -0.494 31.988 32.500 -0.030 0.000 0.721 370 K HN 0.433 nan 8.250 nan 0.000 0.447 371 A N 1.055 123.809 122.820 -0.109 0.000 1.942 371 A HA 0.124 4.444 4.320 0.001 0.000 0.209 371 A C 2.276 179.719 177.584 -0.235 0.000 1.214 371 A CA 0.471 52.449 52.037 -0.099 0.000 0.686 371 A CB -0.216 18.773 19.000 -0.019 0.000 0.871 371 A HN 0.096 nan 8.150 nan 0.000 0.460 372 V N 2.548 122.181 119.914 -0.469 0.000 2.343 372 V HA -0.239 3.881 4.120 0.001 0.000 0.247 372 V C 2.142 178.097 176.094 -0.232 0.000 1.051 372 V CA 2.143 64.103 62.300 -0.566 0.000 1.036 372 V CB -1.178 30.300 31.823 -0.574 0.000 0.654 372 V HN 0.897 nan 8.190 nan 0.000 0.451 373 N N 1.354 119.956 118.700 -0.163 0.000 2.461 373 N HA 0.078 4.818 4.740 0.001 0.000 0.188 373 N C 1.306 176.780 175.510 -0.061 0.000 1.134 373 N CA 0.970 53.964 53.050 -0.094 0.000 0.878 373 N CB -0.239 38.197 38.487 -0.085 0.000 0.972 373 N HN 0.368 nan 8.380 nan 0.000 0.456 374 A N 0.179 122.970 122.820 -0.048 0.000 2.186 374 A HA 0.073 4.394 4.320 0.001 0.000 0.219 374 A C 2.201 179.769 177.584 -0.027 0.000 1.159 374 A CA 1.134 53.153 52.037 -0.030 0.000 0.680 374 A CB -1.344 17.654 19.000 -0.003 0.000 0.787 374 A HN 0.442 nan 8.150 nan 0.000 0.467 375 G N -0.173 108.627 108.800 -0.001 0.000 2.475 375 G HA2 -0.071 3.889 3.960 0.001 0.000 0.220 375 G HA3 -0.071 3.889 3.960 0.001 0.000 0.220 375 G C 1.452 176.328 174.900 -0.041 0.000 1.125 375 G CA 1.236 46.345 45.100 0.016 0.000 0.755 375 G HN 0.659 nan 8.290 nan 0.000 0.565 376 G N 0.342 109.110 108.800 -0.053 0.000 2.404 376 G HA2 -0.118 3.842 3.960 0.001 0.000 0.215 376 G HA3 -0.118 3.842 3.960 0.001 0.000 0.215 376 G C 1.776 176.612 174.900 -0.107 0.000 1.174 376 G CA 1.163 46.220 45.100 -0.072 0.000 0.780 376 G HN 0.315 nan 8.290 nan 0.000 0.537 377 V N 1.179 121.029 119.914 -0.106 0.000 2.343 377 V HA -0.145 3.976 4.120 0.001 0.000 0.247 377 V C 2.936 178.906 176.094 -0.207 0.000 1.051 377 V CA 1.444 63.668 62.300 -0.127 0.000 1.036 377 V CB -0.518 31.247 31.823 -0.097 0.000 0.654 377 V HN 0.335 nan 8.190 nan 0.000 0.451 378 L N -0.127 120.943 121.223 -0.254 0.000 2.012 378 L HA -0.187 4.153 4.340 0.001 0.000 0.210 378 L C 2.612 178.959 176.870 -0.873 0.000 1.073 378 L CA 1.744 56.267 54.840 -0.528 0.000 0.748 378 L CB -0.774 41.008 42.059 -0.460 0.000 0.891 378 L HN 0.332 nan 8.230 nan 0.000 0.431 379 V N -0.365 119.250 119.914 -0.497 0.000 2.759 379 V HA -0.222 3.898 4.120 0.001 0.000 0.256 379 V C 2.645 178.614 176.094 -0.209 0.000 1.080 379 V CA 2.002 64.126 62.300 -0.292 0.000 1.101 379 V CB -0.082 31.723 31.823 -0.029 0.000 0.698 379 V HN 0.674 nan 8.190 nan 0.000 0.477 380 S N 0.018 115.589 115.700 -0.216 0.000 2.387 380 S HA 0.011 4.481 4.470 0.001 0.000 0.226 380 S C 2.111 176.617 174.600 -0.157 0.000 1.026 380 S CA 1.182 59.287 58.200 -0.158 0.000 0.972 380 S CB -0.863 62.257 63.200 -0.132 0.000 0.814 380 S HN 0.650 nan 8.310 nan 0.000 0.477 381 G N 0.678 109.349 108.800 -0.214 0.000 2.422 381 G HA2 -0.035 3.925 3.960 0.001 0.000 0.218 381 G HA3 -0.035 3.925 3.960 0.001 0.000 0.218 381 G C 1.052 175.942 174.900 -0.017 0.000 1.146 381 G CA 0.721 45.739 45.100 -0.136 0.000 0.769 381 G HN 0.528 nan 8.290 nan 0.000 0.547 382 F N 0.977 120.890 119.950 -0.062 0.000 2.293 382 F HA 0.102 4.630 4.527 0.001 0.000 0.300 382 F C 2.390 177.952 175.800 -0.396 0.000 1.086 382 F CA 0.469 58.362 58.000 -0.178 0.000 1.375 382 F CB -0.703 38.262 39.000 -0.057 0.000 1.045 382 F HN 0.294 nan 8.300 nan 0.000 0.516 383 E N 0.317 120.451 120.200 -0.110 0.000 2.047 383 E HA -0.212 4.139 4.350 0.001 0.000 0.191 383 E C 2.207 178.697 176.600 -0.184 0.000 0.987 383 E CA 1.286 57.575 56.400 -0.184 0.000 0.799 383 E CB -0.089 29.520 29.700 -0.153 0.000 0.752 383 E HN 0.322 nan 8.360 nan 0.000 0.449 384 M N 0.271 119.797 119.600 -0.122 0.000 2.080 384 M HA -0.174 4.306 4.480 0.001 0.000 0.260 384 M C 2.495 178.750 176.300 -0.075 0.000 1.068 384 M CA 1.581 56.831 55.300 -0.084 0.000 1.109 384 M CB -0.140 32.431 32.600 -0.047 0.000 1.342 384 M HN 0.032 nan 8.290 nan 0.000 0.405 385 S N 0.216 115.871 115.700 -0.074 0.000 2.356 385 S HA -0.199 4.272 4.470 0.001 0.000 0.223 385 S C 1.870 176.385 174.600 -0.142 0.000 1.032 385 S CA 1.340 59.515 58.200 -0.042 0.000 1.005 385 S CB -0.472 62.790 63.200 0.104 0.000 0.867 385 S HN 0.506 nan 8.310 nan 0.000 0.449 386 Q N 1.094 120.635 119.800 -0.432 0.000 2.124 386 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 386 Q C 1.935 177.833 176.000 -0.171 0.000 0.977 386 Q CA 1.367 56.902 55.803 -0.448 0.000 0.850 386 Q CB -0.364 27.962 28.738 -0.687 0.000 0.901 386 Q HN 0.645 nan 8.270 nan 0.000 0.429 387 N N -0.255 118.360 118.700 -0.140 0.000 2.120 387 N HA -0.109 4.631 4.740 0.001 0.000 0.188 387 N C 1.770 177.282 175.510 0.003 0.000 1.024 387 N CA 1.119 54.136 53.050 -0.055 0.000 0.852 387 N CB -0.006 38.432 38.487 -0.082 0.000 1.003 387 N HN 0.024 nan 8.380 nan 0.000 0.424 388 S N 0.913 116.615 115.700 0.002 0.000 2.402 388 S HA -0.081 4.390 4.470 0.001 0.000 0.229 388 S C 1.472 176.106 174.600 0.056 0.000 1.021 388 S CA 0.957 59.182 58.200 0.041 0.000 0.974 388 S CB -0.109 63.120 63.200 0.049 0.000 0.800 388 S HN 0.355 nan 8.310 nan 0.000 0.484 389 E N 0.516 120.750 120.200 0.057 0.000 2.482 389 E HA 0.120 4.471 4.350 0.001 0.000 0.196 389 E C 0.008 176.652 176.600 0.074 0.000 1.047 389 E CA -0.073 56.379 56.400 0.087 0.000 0.869 389 E CB 0.071 29.861 29.700 0.151 0.000 0.836 389 E HN 0.283 nan 8.360 nan 0.000 0.520 390 R N -0.608 119.927 120.500 0.059 0.000 3.532 390 R HA -0.194 4.146 4.340 0.001 0.000 0.284 390 R C -0.944 175.389 176.300 0.055 0.000 1.140 390 R CA 0.569 56.707 56.100 0.063 0.000 0.768 390 R CB -2.417 27.918 30.300 0.057 0.000 1.252 390 R HN 0.096 nan 8.270 nan 0.000 0.454 391 L N -5.757 115.494 121.223 0.046 0.000 2.765 391 L HA 0.737 5.077 4.340 0.001 0.000 0.263 391 L C -0.386 176.494 176.870 0.016 0.000 1.068 391 L CA -0.977 53.897 54.840 0.057 0.000 0.903 391 L CB 1.684 43.806 42.059 0.104 0.000 1.512 391 L HN -0.128 nan 8.230 nan 0.000 0.404 392 S N 0.211 115.943 115.700 0.053 0.000 2.451 392 S HA 0.692 5.163 4.470 0.001 0.000 0.301 392 S C -1.350 173.366 174.600 0.192 0.000 1.116 392 S CA -0.386 57.831 58.200 0.029 0.000 1.093 392 S CB 0.550 63.769 63.200 0.031 0.000 1.017 392 S HN 0.421 nan 8.310 nan 0.000 0.482 393 W N 2.626 123.928 121.300 0.004 0.000 2.237 393 W HA 0.324 4.984 4.660 0.001 0.000 0.335 393 W C 1.163 177.683 176.519 0.002 0.000 1.230 393 W CA -1.459 55.881 57.345 -0.008 0.000 1.253 393 W CB -0.223 29.219 29.460 -0.031 0.000 1.129 393 W HN 0.650 nan 8.180 nan 0.000 0.590 394 T N -0.896 113.799 114.554 0.235 0.000 2.802 394 T HA 0.373 4.724 4.350 0.001 0.000 0.305 394 T C 1.181 175.972 174.700 0.153 0.000 1.053 394 T CA 0.118 62.302 62.100 0.140 0.000 1.058 394 T CB 0.994 69.910 68.868 0.081 0.000 0.988 394 T HN 0.471 nan 8.240 nan 0.000 0.539 395 A N 0.984 123.877 122.820 0.122 0.000 1.933 395 A HA -0.050 4.271 4.320 0.001 0.000 0.218 395 A C 2.203 179.868 177.584 0.135 0.000 1.175 395 A CA 1.395 53.512 52.037 0.134 0.000 0.628 395 A CB -0.861 18.209 19.000 0.118 0.000 0.814 395 A HN 0.868 nan 8.150 nan 0.000 0.444 396 E N 0.514 120.773 120.200 0.097 0.000 2.077 396 E HA -0.163 4.188 4.350 0.001 0.000 0.193 396 E C 1.781 178.406 176.600 0.041 0.000 0.989 396 E CA 1.484 57.927 56.400 0.072 0.000 0.800 396 E CB -0.564 29.157 29.700 0.035 0.000 0.746 396 E HN 0.772 nan 8.360 nan 0.000 0.452 397 E N 0.277 120.485 120.200 0.013 0.000 2.110 397 E HA -0.119 4.232 4.350 0.001 0.000 0.193 397 E C 2.060 178.627 176.600 -0.056 0.000 0.988 397 E CA 1.120 57.463 56.400 -0.096 0.000 0.804 397 E CB 0.042 29.645 29.700 -0.161 0.000 0.745 397 E HN 0.052 nan 8.360 nan 0.000 0.458 398 V N 1.339 121.335 119.914 0.136 0.000 2.307 398 V HA -0.251 3.870 4.120 0.001 0.000 0.245 398 V C 2.088 178.298 176.094 0.193 0.000 1.045 398 V CA 2.128 64.563 62.300 0.226 0.000 1.024 398 V CB -0.488 31.523 31.823 0.313 0.000 0.651 398 V HN 0.274 nan 8.190 nan 0.000 0.449 399 D N 0.216 120.743 120.400 0.212 0.000 2.144 399 D HA -0.155 4.485 4.640 0.001 0.000 0.199 399 D C 2.208 178.626 176.300 0.196 0.000 0.984 399 D CA 1.745 55.914 54.000 0.281 0.000 0.834 399 D CB -0.060 40.918 40.800 0.297 0.000 0.955 399 D HN 0.411 nan 8.370 nan 0.000 0.465 400 S N -0.361 115.381 115.700 0.071 0.000 2.368 400 S HA -0.140 4.330 4.470 0.001 0.000 0.225 400 S C 1.876 176.445 174.600 -0.052 0.000 1.030 400 S CA 0.918 59.106 58.200 -0.020 0.000 0.999 400 S CB -0.234 62.912 63.200 -0.090 0.000 0.844 400 S HN 0.274 nan 8.310 nan 0.000 0.459 401 K N 0.478 120.813 120.400 -0.108 0.000 2.062 401 K HA 0.039 4.359 4.320 0.001 0.000 0.205 401 K C 2.091 178.778 176.600 0.146 0.000 1.051 401 K CA 0.667 56.856 56.287 -0.163 0.000 0.941 401 K CB -0.266 31.863 32.500 -0.617 0.000 0.719 401 K HN 0.156 nan 8.250 nan 0.000 0.440 402 L N 0.802 122.227 121.223 0.337 0.000 2.012 402 L HA -0.239 4.102 4.340 0.001 0.000 0.210 402 L C 2.088 179.151 176.870 0.320 0.000 1.073 402 L CA 1.964 57.115 54.840 0.519 0.000 0.748 402 L CB -0.654 41.736 42.059 0.553 0.000 0.891 402 L HN 0.303 nan 8.230 nan 0.000 0.431 403 H N -1.178 117.846 119.070 -0.077 0.000 2.290 403 H HA -0.253 4.303 4.556 0.001 0.000 0.298 403 H C 2.298 177.476 175.328 -0.250 0.000 1.087 403 H CA 1.839 57.527 56.048 -0.600 0.000 1.291 403 H CB 0.047 29.324 29.762 -0.809 0.000 1.369 403 H HN 0.616 nan 8.280 nan 0.000 0.492 404 Q N 0.443 120.257 119.800 0.022 0.000 2.050 404 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 404 Q C 2.273 178.324 176.000 0.086 0.000 0.980 404 Q CA 2.108 57.906 55.803 -0.010 0.000 0.840 404 Q CB -0.189 28.517 28.738 -0.053 0.000 0.898 404 Q HN 0.399 nan 8.270 nan 0.000 0.424 405 V N 1.114 121.128 119.914 0.167 0.000 2.427 405 V HA -0.247 3.873 4.120 0.001 0.000 0.248 405 V C 2.597 178.806 176.094 0.191 0.000 1.051 405 V CA 1.580 63.996 62.300 0.194 0.000 1.048 405 V CB -0.575 31.411 31.823 0.272 0.000 0.666 405 V HN 0.429 nan 8.190 nan 0.000 0.456 406 M N 0.101 119.837 119.600 0.228 0.000 2.108 406 M HA -0.171 4.309 4.480 0.001 0.000 0.261 406 M C 2.303 178.734 176.300 0.219 0.000 1.066 406 M CA 2.095 57.551 55.300 0.261 0.000 1.107 406 M CB -1.751 31.051 32.600 0.338 0.000 1.356 406 M HN 0.413 nan 8.290 nan 0.000 0.406 407 T N 0.633 115.287 114.554 0.166 0.000 2.720 407 T HA -0.150 4.201 4.350 0.001 0.000 0.268 407 T C 1.404 176.181 174.700 0.128 0.000 1.037 407 T CA 1.507 63.673 62.100 0.111 0.000 1.144 407 T CB -0.298 68.612 68.868 0.071 0.000 0.864 407 T HN 0.318 nan 8.240 nan 0.000 0.444 408 D N 0.917 121.387 120.400 0.117 0.000 2.144 408 D HA -0.010 4.630 4.640 0.001 0.000 0.199 408 D C 2.079 178.447 176.300 0.115 0.000 0.984 408 D CA 0.723 54.785 54.000 0.104 0.000 0.834 408 D CB -0.283 40.571 40.800 0.089 0.000 0.955 408 D HN 0.385 nan 8.370 nan 0.000 0.465 409 I N 0.715 121.375 120.570 0.151 0.000 2.226 409 I HA -0.264 3.907 4.170 0.001 0.000 0.245 409 I C 2.542 178.755 176.117 0.160 0.000 1.100 409 I CA 1.032 62.434 61.300 0.170 0.000 1.374 409 I CB -0.383 37.753 38.000 0.227 0.000 1.057 409 I HN 0.164 nan 8.210 nan 0.000 0.413 410 H N 1.619 120.701 119.070 0.019 0.000 2.299 410 H HA -0.186 4.371 4.556 0.001 0.000 0.302 410 H C 1.580 176.880 175.328 -0.046 0.000 1.078 410 H CA 2.092 58.039 56.048 -0.169 0.000 1.323 410 H CB -0.149 29.274 29.762 -0.566 0.000 1.381 410 H HN 0.273 nan 8.280 nan 0.000 0.498 411 D N 0.123 120.518 120.400 -0.008 0.000 2.149 411 D HA -0.109 4.532 4.640 0.001 0.000 0.198 411 D C 2.301 178.575 176.300 -0.045 0.000 0.990 411 D CA 1.289 55.282 54.000 -0.012 0.000 0.839 411 D CB -0.851 40.025 40.800 0.127 0.000 0.948 411 D HN 0.596 nan 8.370 nan 0.000 0.460 412 G N 0.117 108.916 108.800 -0.002 0.000 2.422 412 G HA2 -0.189 3.772 3.960 0.001 0.000 0.218 412 G HA3 -0.189 3.772 3.960 0.001 0.000 0.218 412 G C 1.894 176.799 174.900 0.008 0.000 1.140 412 G CA 0.726 45.839 45.100 0.023 0.000 0.775 412 G HN 0.212 nan 8.290 nan 0.000 0.545 413 S N 0.909 116.589 115.700 -0.033 0.000 2.355 413 S HA 0.005 4.476 4.470 0.001 0.000 0.222 413 S C 2.831 177.392 174.600 -0.065 0.000 1.031 413 S CA 1.201 59.380 58.200 -0.035 0.000 0.993 413 S CB -0.391 62.785 63.200 -0.040 0.000 0.859 413 S HN 0.558 nan 8.310 nan 0.000 0.453 414 A N 1.655 124.376 122.820 -0.165 0.000 1.883 414 A HA 0.034 4.354 4.320 0.001 0.000 0.217 414 A C 2.367 179.970 177.584 0.032 0.000 1.186 414 A CA 1.877 53.870 52.037 -0.072 0.000 0.624 414 A CB -1.227 17.709 19.000 -0.106 0.000 0.822 414 A HN 0.529 nan 8.150 nan 0.000 0.444 415 A N -0.274 122.561 122.820 0.025 0.000 1.940 415 A HA 0.112 4.432 4.320 0.001 0.000 0.219 415 A C 2.481 180.108 177.584 0.072 0.000 1.176 415 A CA 2.250 54.319 52.037 0.053 0.000 0.631 415 A CB -0.954 18.075 19.000 0.047 0.000 0.814 415 A HN 1.079 nan 8.150 nan 0.000 0.446 416 A N -0.234 122.642 122.820 0.094 0.000 1.873 416 A HA 0.212 4.533 4.320 0.001 0.000 0.215 416 A C 2.513 180.241 177.584 0.241 0.000 1.186 416 A CA 1.940 54.082 52.037 0.175 0.000 0.616 416 A CB -1.026 18.079 19.000 0.176 0.000 0.823 416 A HN 1.068 nan 8.150 nan 0.000 0.442 417 A N -0.660 122.253 122.820 0.155 0.000 1.933 417 A HA -0.184 4.136 4.320 0.001 0.000 0.218 417 A C 2.061 179.732 177.584 0.145 0.000 1.175 417 A CA 1.750 53.875 52.037 0.146 0.000 0.628 417 A CB -0.429 18.613 19.000 0.070 0.000 0.814 417 A HN 0.604 nan 8.150 nan 0.000 0.444 418 E N -0.361 119.905 120.200 0.109 0.000 2.158 418 E HA -0.141 4.209 4.350 0.001 0.000 0.191 418 E C 2.199 178.809 176.600 0.017 0.000 0.982 418 E CA 0.629 57.075 56.400 0.077 0.000 0.823 418 E CB -0.138 29.614 29.700 0.088 0.000 0.766 418 E HN 0.637 nan 8.360 nan 0.000 0.468 419 R N -0.391 120.099 120.500 -0.017 0.000 2.237 419 R HA -0.128 4.213 4.340 0.001 0.000 0.219 419 R C 0.644 176.690 176.300 -0.424 0.000 1.080 419 R CA 0.987 56.967 56.100 -0.202 0.000 0.995 419 R CB -0.025 30.137 30.300 -0.230 0.000 0.875 419 R HN 0.181 nan 8.270 nan 0.000 0.462 420 Y N -0.525 119.803 120.300 0.047 0.000 2.555 420 Y HA 0.319 4.869 4.550 0.001 0.000 0.259 420 Y C 1.090 177.005 175.900 0.026 0.000 1.179 420 Y CA 0.258 58.382 58.100 0.040 0.000 1.230 420 Y CB 1.090 39.578 38.460 0.046 0.000 1.146 420 Y HN 0.291 nan 8.280 nan 0.000 0.526 421 G N 0.965 109.811 108.800 0.076 0.000 2.225 421 G HA2 -0.275 3.686 3.960 0.001 0.000 0.264 421 G HA3 -0.275 3.686 3.960 0.001 0.000 0.264 421 G C 0.454 175.396 174.900 0.071 0.000 1.060 421 G CA 0.590 45.725 45.100 0.058 0.000 0.833 421 G HN 0.491 nan 8.290 nan 0.000 0.498 422 L N -0.464 120.812 121.223 0.088 0.000 2.616 422 L HA 0.457 4.798 4.340 0.001 0.000 0.229 422 L C 1.912 178.824 176.870 0.069 0.000 1.110 422 L CA 0.333 55.215 54.840 0.070 0.000 0.884 422 L CB -0.224 41.877 42.059 0.071 0.000 1.115 422 L HN 1.069 nan 8.230 nan 0.000 0.481 423 G N 0.292 109.143 108.800 0.085 0.000 2.562 423 G HA2 -0.394 3.566 3.960 0.001 0.000 0.250 423 G HA3 -0.394 3.566 3.960 0.001 0.000 0.250 423 G C -0.562 174.437 174.900 0.165 0.000 1.269 423 G CA -0.020 45.149 45.100 0.114 0.000 0.919 423 G HN 0.114 nan 8.290 nan 0.000 0.574 424 Y N 3.007 123.328 120.300 0.035 0.000 2.667 424 Y HA 0.512 5.062 4.550 0.001 0.000 0.340 424 Y C 0.770 176.668 175.900 -0.003 0.000 1.303 424 Y CA -0.771 57.332 58.100 0.004 0.000 1.769 424 Y CB -0.390 38.091 38.460 0.034 0.000 1.804 424 Y HN 0.500 nan 8.280 nan 0.000 0.451 425 N N 4.445 123.110 118.700 -0.058 0.000 2.816 425 N HA 0.133 4.874 4.740 0.001 0.000 0.236 425 N C 0.482 175.901 175.510 -0.151 0.000 1.076 425 N CA -0.042 52.946 53.050 -0.104 0.000 0.902 425 N CB 0.252 38.721 38.487 -0.030 0.000 1.149 425 N HN 0.678 nan 8.380 nan 0.000 0.506 426 L N 1.529 122.595 121.223 -0.261 0.000 2.191 426 L HA -0.123 4.218 4.340 0.001 0.000 0.212 426 L C 1.939 178.763 176.870 -0.076 0.000 1.103 426 L CA 0.750 55.476 54.840 -0.190 0.000 0.769 426 L CB -0.100 41.846 42.059 -0.190 0.000 0.908 426 L HN 0.286 nan 8.230 nan 0.000 0.438 427 V N 0.086 119.957 119.914 -0.073 0.000 2.261 427 V HA -0.281 3.840 4.120 0.001 0.000 0.246 427 V C 2.710 178.770 176.094 -0.057 0.000 1.047 427 V CA 1.998 64.266 62.300 -0.054 0.000 1.015 427 V CB -0.870 30.923 31.823 -0.050 0.000 0.642 427 V HN 0.483 nan 8.190 nan 0.000 0.446 428 A N 0.326 123.111 122.820 -0.058 0.000 1.968 428 A HA 0.017 4.338 4.320 0.001 0.000 0.217 428 A C 2.381 179.940 177.584 -0.042 0.000 1.169 428 A CA 1.571 53.572 52.037 -0.060 0.000 0.638 428 A CB -1.121 17.848 19.000 -0.053 0.000 0.812 428 A HN 0.535 nan 8.150 nan 0.000 0.446 429 G N -0.162 108.623 108.800 -0.025 0.000 2.442 429 G HA2 -0.051 3.909 3.960 0.001 0.000 0.219 429 G HA3 -0.051 3.909 3.960 0.001 0.000 0.219 429 G C 1.708 176.613 174.900 0.009 0.000 1.141 429 G CA 1.469 46.569 45.100 0.001 0.000 0.763 429 G HN 0.756 nan 8.290 nan 0.000 0.554 430 A N 1.112 123.930 122.820 -0.003 0.000 1.877 430 A HA -0.084 4.237 4.320 0.001 0.000 0.216 430 A C 2.320 179.905 177.584 0.001 0.000 1.186 430 A CA 1.814 53.859 52.037 0.012 0.000 0.620 430 A CB -0.467 18.535 19.000 0.003 0.000 0.822 430 A HN 0.340 nan 8.150 nan 0.000 0.443 431 N N 0.177 118.850 118.700 -0.045 0.000 2.069 431 N HA -0.123 4.618 4.740 0.001 0.000 0.191 431 N C 1.713 177.189 175.510 -0.056 0.000 1.031 431 N CA 1.730 54.720 53.050 -0.101 0.000 0.852 431 N CB -0.438 37.949 38.487 -0.166 0.000 1.018 431 N HN 0.564 nan 8.380 nan 0.000 0.423 432 I N 0.127 120.678 120.570 -0.031 0.000 2.202 432 I HA -0.186 3.984 4.170 0.001 0.000 0.242 432 I C 2.333 178.529 176.117 0.133 0.000 1.091 432 I CA 0.649 61.966 61.300 0.027 0.000 1.368 432 I CB -0.259 37.741 38.000 0.001 0.000 1.058 432 I HN -0.065 nan 8.210 nan 0.000 0.410 433 V N 0.980 120.957 119.914 0.105 0.000 2.490 433 V HA -0.192 3.928 4.120 0.001 0.000 0.250 433 V C 2.295 178.456 176.094 0.112 0.000 1.061 433 V CA 2.289 64.655 62.300 0.110 0.000 1.064 433 V CB -0.688 31.187 31.823 0.086 0.000 0.670 433 V HN 0.541 nan 8.190 nan 0.000 0.461 434 G N -1.168 107.713 108.800 0.136 0.000 2.404 434 G HA2 -0.298 3.663 3.960 0.001 0.000 0.214 434 G HA3 -0.298 3.663 3.960 0.001 0.000 0.214 434 G C 1.529 176.578 174.900 0.249 0.000 1.189 434 G CA 0.965 46.172 45.100 0.178 0.000 0.789 434 G HN 0.543 nan 8.290 nan 0.000 0.533 435 F N 1.443 121.500 119.950 0.180 0.000 2.126 435 F HA -0.130 4.398 4.527 0.001 0.000 0.299 435 F C 2.757 178.593 175.800 0.059 0.000 1.096 435 F CA 2.167 60.275 58.000 0.181 0.000 1.255 435 F CB -0.260 38.708 39.000 -0.054 0.000 0.997 435 F HN 0.258 nan 8.300 nan 0.000 0.479 436 Q N 0.906 120.715 119.800 0.016 0.000 2.096 436 Q HA -0.246 4.094 4.340 0.001 0.000 0.204 436 Q C 2.352 178.267 176.000 -0.141 0.000 0.982 436 Q CA 2.239 57.997 55.803 -0.075 0.000 0.850 436 Q CB -0.378 28.433 28.738 0.121 0.000 0.901 436 Q HN 0.493 nan 8.270 nan 0.000 0.422 437 K N -0.298 120.057 120.400 -0.076 0.000 2.097 437 K HA -0.121 4.200 4.320 0.001 0.000 0.206 437 K C 1.934 178.449 176.600 -0.141 0.000 1.049 437 K CA 1.369 57.613 56.287 -0.073 0.000 0.933 437 K CB -0.130 32.349 32.500 -0.034 0.000 0.717 437 K HN 0.295 nan 8.250 nan 0.000 0.442 438 I N 0.719 121.162 120.570 -0.212 0.000 2.202 438 I HA -0.247 3.924 4.170 0.001 0.000 0.242 438 I C 2.475 178.396 176.117 -0.325 0.000 1.091 438 I CA 1.134 62.278 61.300 -0.260 0.000 1.368 438 I CB -0.388 37.434 38.000 -0.296 0.000 1.058 438 I HN 0.221 nan 8.210 nan 0.000 0.410 439 A N 0.654 123.141 122.820 -0.555 0.000 1.883 439 A HA -0.263 4.058 4.320 0.001 0.000 0.217 439 A C 1.945 179.347 177.584 -0.304 0.000 1.186 439 A CA 2.228 53.889 52.037 -0.627 0.000 0.624 439 A CB -0.664 17.689 19.000 -1.078 0.000 0.822 439 A HN 0.363 nan 8.150 nan 0.000 0.444 440 D N 0.011 120.295 120.400 -0.193 0.000 2.097 440 D HA -0.066 4.575 4.640 0.001 0.000 0.195 440 D C 2.238 178.512 176.300 -0.043 0.000 0.989 440 D CA 1.643 55.610 54.000 -0.055 0.000 0.827 440 D CB -0.502 40.286 40.800 -0.020 0.000 0.966 440 D HN 0.434 nan 8.370 nan 0.000 0.456 441 A N 0.435 123.211 122.820 -0.072 0.000 1.930 441 A HA -0.118 4.202 4.320 0.001 0.000 0.217 441 A C 2.259 179.826 177.584 -0.029 0.000 1.175 441 A CA 1.162 53.173 52.037 -0.044 0.000 0.627 441 A CB -0.496 18.470 19.000 -0.055 0.000 0.815 441 A HN 0.147 nan 8.150 nan 0.000 0.443 442 M N -1.210 118.356 119.600 -0.057 0.000 2.229 442 M HA -0.102 4.378 4.480 0.001 0.000 0.264 442 M C 2.152 178.458 176.300 0.011 0.000 1.063 442 M CA 1.079 56.367 55.300 -0.020 0.000 1.114 442 M CB -0.282 32.289 32.600 -0.048 0.000 1.387 442 M HN 0.327 nan 8.290 nan 0.000 0.420 443 M N -0.288 119.313 119.600 0.002 0.000 2.132 443 M HA -0.071 4.410 4.480 0.001 0.000 0.263 443 M C 2.435 178.771 176.300 0.059 0.000 1.065 443 M CA 1.576 56.910 55.300 0.057 0.000 1.122 443 M CB -1.285 31.382 32.600 0.112 0.000 1.365 443 M HN 0.303 nan 8.290 nan 0.000 0.411 444 A N -0.354 122.492 122.820 0.043 0.000 2.015 444 A HA -0.146 4.174 4.320 0.001 0.000 0.219 444 A C 2.006 179.613 177.584 0.038 0.000 1.163 444 A CA 1.163 53.224 52.037 0.041 0.000 0.646 444 A CB -0.557 18.462 19.000 0.031 0.000 0.806 444 A HN 0.608 nan 8.150 nan 0.000 0.448 445 Q N -1.078 118.745 119.800 0.039 0.000 2.451 445 Q HA 0.328 4.669 4.340 0.001 0.000 0.206 445 Q C 1.028 177.057 176.000 0.048 0.000 0.947 445 Q CA 0.253 56.083 55.803 0.045 0.000 0.937 445 Q CB -0.010 28.762 28.738 0.056 0.000 1.025 445 Q HN 0.803 nan 8.270 nan 0.000 0.511 446 G N 1.240 110.071 108.800 0.052 0.000 2.741 446 G HA2 -0.242 3.719 3.960 0.001 0.000 0.222 446 G HA3 -0.242 3.719 3.960 0.001 0.000 0.222 446 G C -0.333 174.603 174.900 0.060 0.000 1.364 446 G CA -0.647 44.483 45.100 0.051 0.000 0.866 446 G HN 0.209 nan 8.290 nan 0.000 0.555 447 I N 2.022 122.620 120.570 0.048 0.000 2.206 447 I HA 0.438 4.608 4.170 0.001 0.000 0.292 447 I C 1.249 177.371 176.117 0.009 0.000 1.156 447 I CA 0.832 62.161 61.300 0.048 0.000 1.356 447 I CB -0.619 37.407 38.000 0.043 0.000 1.494 447 I HN 0.870 nan 8.210 nan 0.000 0.601 448 A N 4.927 127.747 122.820 -0.001 0.000 2.007 448 A HA 0.311 4.631 4.320 0.001 0.000 0.200 448 A C 0.382 177.880 177.584 -0.143 0.000 2.019 448 A CA -0.082 51.882 52.037 -0.122 0.000 1.002 448 A CB 0.097 19.013 19.000 -0.140 0.000 1.213 448 A HN 0.499 nan 8.150 nan 0.000 0.635 449 W N 0.000 121.321 121.300 0.035 0.000 2.388 449 W HA 0.000 4.660 4.660 0.001 0.000 0.303 449 W CA 0.000 57.371 57.345 0.044 0.000 1.226 449 W CB 0.000 29.488 29.460 0.046 0.000 1.126 449 W HN 0.000 nan 8.180 nan 0.000 0.535