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 3mga_1_B DATA FIRST_RESID 9 DATA SEQUENCE SEAWWRTKTG PEWIREKDGN YRVTFWWRDP QGNETHSPIR RVWVYITGVT DATA SEQUENCE DHHQNAQPQT XARIAGTDVW RWSTALSANW RGSYCFIPTE RDDVFAAFAP DATA SEQUENCE GETPDRNVLR EGWRQLLPQA IADPLNSQSW RGGRGHAVSA LEXPDAPLQP DATA SEQUENCE GWDRPETPYS PPLXXQWHSE RLGNSRRVWI LTTGDEAPEE RPLAILLDGQ DATA SEQUENCE FWAENXPVWP ALASLTHQRL LPGAVYLLID AIDTQHRSQE LPCNADFWLA DATA SEQUENCE VQQELLPQVR AVTPFSDDAG RTVVAGQSFG GLSALYAGLN WPTRFGCVLS DATA SEQUENCE QSGSFWWPHR ITPPEGEVIT RLKTGALCAR GLRIVLEAGV REPIVFQANQ DATA SEQUENCE ALYAQLNTSQ QSIFWRQVDG GHDALCWRGG LTQGLXLLWQ PLIDT 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.751 174.600 0.252 0.000 1.055 9 S CA 0.000 58.231 58.200 0.053 0.000 1.107 9 S CB 0.000 63.213 63.200 0.021 0.000 0.593 10 E N 0.938 121.275 120.200 0.229 0.000 2.150 10 E HA 0.199 4.549 4.350 0.000 0.000 0.193 10 E C 1.968 178.710 176.600 0.237 0.000 0.985 10 E CA 1.542 58.107 56.400 0.276 0.000 0.814 10 E CB -0.427 29.361 29.700 0.147 0.000 0.752 10 E HN 0.735 nan 8.360 nan 0.000 0.466 11 A N -0.479 122.436 122.820 0.159 0.000 2.123 11 A HA -0.057 4.263 4.320 0.000 0.000 0.214 11 A C 1.795 179.432 177.584 0.089 0.000 1.152 11 A CA 0.429 52.527 52.037 0.102 0.000 0.728 11 A CB -0.741 18.297 19.000 0.063 0.000 0.814 11 A HN 0.477 nan 8.150 nan 0.000 0.464 12 W N -0.739 120.489 121.300 -0.119 0.000 2.436 12 W HA -0.083 4.577 4.660 0.000 0.000 0.284 12 W C 1.386 177.694 176.519 -0.352 0.000 1.225 12 W CA 1.230 58.403 57.345 -0.288 0.000 1.271 12 W CB -0.216 28.990 29.460 -0.423 0.000 1.114 12 W HN 0.443 nan 8.180 nan 0.000 0.559 13 W N 0.551 121.844 121.300 -0.012 0.000 2.678 13 W HA -0.021 4.639 4.660 0.000 0.000 0.256 13 W C 2.256 178.658 176.519 -0.197 0.000 1.280 13 W CA 0.190 57.438 57.345 -0.161 0.000 1.345 13 W CB -0.260 29.203 29.460 0.006 0.000 1.118 13 W HN -0.359 nan 8.180 nan 0.000 0.629 14 R N -0.103 120.420 120.500 0.038 0.000 2.115 14 R HA -0.097 4.243 4.340 0.000 0.000 0.230 14 R C 2.049 178.292 176.300 -0.095 0.000 1.111 14 R CA 1.896 57.993 56.100 -0.006 0.000 0.976 14 R CB -1.798 28.500 30.300 -0.003 0.000 0.870 14 R HN 0.322 nan 8.270 nan 0.000 0.445 15 T N -1.476 112.941 114.554 -0.228 0.000 2.942 15 T HA 0.012 4.362 4.350 0.000 0.000 0.265 15 T C 0.787 175.304 174.700 -0.305 0.000 1.062 15 T CA 0.343 62.272 62.100 -0.286 0.000 1.139 15 T CB 0.060 68.685 68.868 -0.406 0.000 0.883 15 T HN -0.156 nan 8.240 nan 0.000 0.468 16 K N 3.138 123.301 120.400 -0.395 0.000 2.383 16 K HA 0.326 4.646 4.320 0.000 0.000 0.286 16 K C 0.919 177.499 176.600 -0.034 0.000 1.051 16 K CA 0.252 56.367 56.287 -0.286 0.000 0.974 16 K CB 0.920 33.167 32.500 -0.421 0.000 0.968 16 K HN 0.488 nan 8.250 nan 0.000 0.475 17 T N -0.343 114.221 114.554 0.017 0.000 3.288 17 T HA 0.514 4.864 4.350 0.000 0.000 0.293 17 T C 0.563 175.365 174.700 0.170 0.000 1.008 17 T CA -0.120 62.033 62.100 0.089 0.000 0.929 17 T CB -0.032 68.868 68.868 0.053 0.000 1.152 17 T HN 0.636 nan 8.240 nan 0.000 0.517 18 G N 1.712 110.655 108.800 0.237 0.000 2.315 18 G HA2 0.309 4.269 3.960 0.000 0.000 0.296 18 G HA3 0.309 4.269 3.960 0.000 0.000 0.296 18 G C -3.149 171.940 174.900 0.314 0.000 1.289 18 G CA -1.003 44.296 45.100 0.332 0.000 0.996 18 G HN 0.189 nan 8.290 nan 0.000 0.487 19 P HA 0.364 nan 4.420 nan 0.000 0.269 19 P C -0.359 176.982 177.300 0.068 0.000 1.209 19 P CA 0.377 63.468 63.100 -0.015 0.000 0.776 19 P CB 0.637 32.039 31.700 -0.496 0.000 0.876 20 E N 1.031 121.232 120.200 0.001 0.000 2.277 20 E HA 0.577 4.927 4.350 0.000 0.000 0.266 20 E C -1.048 175.558 176.600 0.011 0.000 0.901 20 E CA -0.653 55.639 56.400 -0.179 0.000 0.782 20 E CB 1.450 31.097 29.700 -0.088 0.000 1.228 20 E HN 0.462 nan 8.360 nan 0.000 0.424 21 W N 1.267 122.585 121.300 0.029 0.000 3.031 21 W HA 0.717 5.378 4.660 0.000 0.000 0.337 21 W C -1.608 174.991 176.519 0.134 0.000 1.187 21 W CA -0.858 56.533 57.345 0.077 0.000 1.166 21 W CB 0.767 30.282 29.460 0.093 0.000 1.437 21 W HN 0.136 nan 8.180 nan 0.000 0.551 22 I N 2.590 123.383 120.570 0.372 0.000 2.569 22 I HA 0.340 4.510 4.170 0.000 0.000 0.290 22 I C -0.239 175.951 176.117 0.122 0.000 1.088 22 I CA -1.365 60.057 61.300 0.204 0.000 1.047 22 I CB 1.769 39.810 38.000 0.068 0.000 1.237 22 I HN 0.754 nan 8.210 nan 0.000 0.421 23 R N 4.950 125.429 120.500 -0.036 0.000 2.347 23 R HA 0.284 4.624 4.340 0.000 0.000 0.304 23 R C -0.194 175.948 176.300 -0.263 0.000 1.072 23 R CA -0.137 55.673 56.100 -0.484 0.000 0.980 23 R CB 0.881 30.920 30.300 -0.434 0.000 0.986 23 R HN 0.612 nan 8.270 nan 0.000 0.448 24 E N 2.598 122.629 120.200 -0.283 0.000 2.280 24 E HA 0.030 4.380 4.350 0.000 0.000 0.264 24 E C 0.372 176.892 176.600 -0.134 0.000 1.064 24 E CA -0.548 55.761 56.400 -0.152 0.000 0.900 24 E CB 1.451 31.083 29.700 -0.113 0.000 1.123 24 E HN 0.513 nan 8.360 nan 0.000 0.418 25 K N 1.166 121.515 120.400 -0.084 0.000 2.160 25 K HA -0.206 4.114 4.320 0.000 0.000 0.206 25 K C 0.998 177.562 176.600 -0.060 0.000 1.047 25 K CA 2.063 58.312 56.287 -0.063 0.000 0.930 25 K CB 0.024 32.498 32.500 -0.044 0.000 0.720 25 K HN 0.463 nan 8.250 nan 0.000 0.450 26 D N -1.813 118.549 120.400 -0.063 0.000 2.328 26 D HA 0.059 4.699 4.640 0.000 0.000 0.226 26 D C 1.051 177.319 176.300 -0.053 0.000 1.066 26 D CA 0.752 54.723 54.000 -0.049 0.000 0.861 26 D CB 0.429 41.206 40.800 -0.038 0.000 0.912 26 D HN 0.408 nan 8.370 nan 0.000 0.521 27 G N -0.242 108.504 108.800 -0.090 0.000 2.258 27 G HA2 -0.276 3.684 3.960 0.000 0.000 0.233 27 G HA3 -0.276 3.684 3.960 0.000 0.000 0.233 27 G C 0.334 175.158 174.900 -0.126 0.000 1.006 27 G CA -0.100 44.945 45.100 -0.093 0.000 0.620 27 G HN 0.411 nan 8.290 nan 0.000 0.511 28 N N -0.011 118.631 118.700 -0.097 0.000 2.381 28 N HA 0.564 5.304 4.740 0.000 0.000 0.254 28 N C -0.611 174.801 175.510 -0.163 0.000 1.264 28 N CA 0.182 53.217 53.050 -0.026 0.000 0.942 28 N CB 0.310 38.793 38.487 -0.006 0.000 1.190 28 N HN 0.242 nan 8.380 nan 0.000 0.495 29 Y N -0.399 119.892 120.300 -0.014 0.000 2.446 29 Y HA 0.377 4.927 4.550 0.000 0.000 0.338 29 Y C 0.464 176.359 175.900 -0.009 0.000 1.055 29 Y CA -0.811 57.299 58.100 0.016 0.000 1.101 29 Y CB 1.264 39.743 38.460 0.031 0.000 1.221 29 Y HN 0.266 nan 8.280 nan 0.000 0.460 30 R N 1.729 122.313 120.500 0.140 0.000 2.239 30 R HA 0.603 4.943 4.340 0.000 0.000 0.332 30 R C -1.962 174.394 176.300 0.094 0.000 0.988 30 R CA -0.430 55.697 56.100 0.045 0.000 0.859 30 R CB 0.135 30.432 30.300 -0.005 0.000 1.148 30 R HN 0.522 nan 8.270 nan 0.000 0.482 31 V N 3.802 123.740 119.914 0.039 0.000 2.532 31 V HA 0.549 4.669 4.120 0.000 0.000 0.295 31 V C -0.107 175.944 176.094 -0.072 0.000 1.041 31 V CA -0.558 61.763 62.300 0.036 0.000 0.926 31 V CB 2.080 33.922 31.823 0.031 0.000 0.992 31 V HN 0.805 nan 8.190 nan 0.000 0.457 32 T N 4.565 119.034 114.554 -0.142 0.000 2.848 32 T HA 0.657 5.007 4.350 0.000 0.000 0.285 32 T C -0.826 173.665 174.700 -0.349 0.000 0.995 32 T CA -0.156 61.803 62.100 -0.234 0.000 0.970 32 T CB 0.928 69.597 68.868 -0.332 0.000 0.976 32 T HN 0.298 nan 8.240 nan 0.000 0.441 33 F N 1.407 121.235 119.950 -0.204 0.000 2.450 33 F HA 0.689 5.216 4.527 0.000 0.000 0.332 33 F C -0.418 175.299 175.800 -0.137 0.000 1.093 33 F CA -0.876 57.145 58.000 0.034 0.000 1.003 33 F CB 1.516 40.722 39.000 0.343 0.000 1.151 33 F HN 0.506 nan 8.300 nan 0.000 0.474 34 W N 1.583 123.222 121.300 0.566 0.000 2.864 34 W HA 0.520 5.180 4.660 0.000 0.000 0.343 34 W C -1.593 175.303 176.519 0.628 0.000 1.109 34 W CA -0.931 56.751 57.345 0.562 0.000 1.192 34 W CB 1.660 31.423 29.460 0.505 0.000 1.426 34 W HN 0.458 nan 8.180 nan 0.000 0.529 35 W N 3.979 125.702 121.300 0.705 0.000 3.423 35 W HA 0.413 5.073 4.660 0.000 0.000 0.330 35 W C -1.167 175.613 176.519 0.434 0.000 1.102 35 W CA -1.237 56.336 57.345 0.380 0.000 1.261 35 W CB 0.965 30.377 29.460 -0.081 0.000 1.283 35 W HN 0.256 nan 8.180 nan 0.000 0.447 36 R N 4.033 124.124 120.500 -0.680 0.000 2.340 36 R HA 0.140 4.480 4.340 0.000 0.000 0.300 36 R C -0.491 175.046 176.300 -1.271 0.000 1.069 36 R CA -0.222 55.274 56.100 -1.007 0.000 0.984 36 R CB 0.848 30.125 30.300 -1.707 0.000 1.003 36 R HN 0.432 nan 8.270 nan 0.000 0.459 37 D N 6.043 126.042 120.400 -0.668 0.000 2.339 37 D HA 0.108 4.748 4.640 0.000 0.000 0.241 37 D C -1.560 174.525 176.300 -0.358 0.000 1.183 37 D CA -2.223 51.421 54.000 -0.594 0.000 0.859 37 D CB 1.698 42.587 40.800 0.149 0.000 1.067 37 D HN 0.360 nan 8.370 nan 0.000 0.484 38 P HA -0.086 nan 4.420 nan 0.000 0.226 38 P C 0.243 177.495 177.300 -0.079 0.000 1.153 38 P CA 0.686 63.670 63.100 -0.194 0.000 0.777 38 P CB 0.345 31.963 31.700 -0.138 0.000 0.794 39 Q N 0.455 120.248 119.800 -0.013 0.000 2.412 39 Q HA 0.378 4.718 4.340 0.000 0.000 0.298 39 Q C 0.949 176.987 176.000 0.063 0.000 0.938 39 Q CA -0.104 55.722 55.803 0.039 0.000 0.968 39 Q CB -0.282 28.509 28.738 0.087 0.000 1.187 39 Q HN 0.166 nan 8.270 nan 0.000 0.421 40 G N 1.331 110.138 108.800 0.012 0.000 2.601 40 G HA2 -0.281 3.679 3.960 0.000 0.000 0.252 40 G HA3 -0.281 3.679 3.960 0.000 0.000 0.252 40 G C -0.220 174.748 174.900 0.113 0.000 1.294 40 G CA -0.497 44.619 45.100 0.027 0.000 0.912 40 G HN 0.433 nan 8.290 nan 0.000 0.574 41 N N 1.450 120.243 118.700 0.155 0.000 2.431 41 N HA 0.310 5.050 4.740 0.000 0.000 0.289 41 N C 1.814 177.420 175.510 0.161 0.000 1.277 41 N CA 0.194 53.332 53.050 0.147 0.000 0.972 41 N CB 0.144 38.705 38.487 0.124 0.000 1.143 41 N HN 0.798 nan 8.380 nan 0.000 0.578 42 E N -0.396 119.862 120.200 0.096 0.000 2.204 42 E HA -0.170 4.180 4.350 0.000 0.000 0.195 42 E C 1.056 177.683 176.600 0.046 0.000 0.990 42 E CA 1.606 58.053 56.400 0.079 0.000 0.821 42 E CB -1.018 28.694 29.700 0.020 0.000 0.750 42 E HN 0.712 nan 8.360 nan 0.000 0.477 43 T N -2.075 112.484 114.554 0.007 0.000 3.055 43 T HA -0.042 4.308 4.350 0.000 0.000 0.265 43 T C 1.465 176.002 174.700 -0.273 0.000 1.111 43 T CA 1.032 63.053 62.100 -0.133 0.000 1.118 43 T CB -0.278 68.471 68.868 -0.198 0.000 0.909 43 T HN 0.302 nan 8.240 nan 0.000 0.501 44 H N -0.154 118.942 119.070 0.043 0.000 2.657 44 H HA 0.392 4.948 4.556 0.000 0.000 0.262 44 H C 0.998 176.364 175.328 0.062 0.000 0.965 44 H CA 0.068 56.143 56.048 0.044 0.000 1.184 44 H CB 0.365 30.149 29.762 0.037 0.000 1.443 44 H HN 0.362 nan 8.280 nan 0.000 0.462 45 S N 2.575 118.399 115.700 0.206 0.000 2.580 45 S HA 0.123 4.593 4.470 0.000 0.000 0.274 45 S C -1.536 173.158 174.600 0.157 0.000 1.329 45 S CA -1.187 57.125 58.200 0.187 0.000 1.036 45 S CB 1.253 64.600 63.200 0.245 0.000 0.919 45 S HN 0.149 nan 8.310 nan 0.000 0.515 46 P HA 0.285 nan 4.420 nan 0.000 0.275 46 P C -0.181 177.187 177.300 0.115 0.000 1.310 46 P CA -0.247 62.919 63.100 0.109 0.000 0.904 46 P CB 0.050 31.798 31.700 0.080 0.000 1.381 47 I N 1.552 122.216 120.570 0.155 0.000 2.742 47 I HA -0.043 4.127 4.170 0.000 0.000 0.287 47 I C 1.734 177.927 176.117 0.126 0.000 1.186 47 I CA 0.682 62.039 61.300 0.096 0.000 1.417 47 I CB 0.345 38.399 38.000 0.090 0.000 1.377 47 I HN -0.047 nan 8.210 nan 0.000 0.556 48 R N 5.725 126.230 120.500 0.009 0.000 2.225 48 R HA 0.239 4.579 4.340 0.000 0.000 0.194 48 R C -0.015 176.242 176.300 -0.071 0.000 0.957 48 R CA 0.778 56.899 56.100 0.034 0.000 1.042 48 R CB 0.491 30.801 30.300 0.017 0.000 1.004 48 R HN 0.606 nan 8.270 nan 0.000 0.509 49 R N -1.390 118.918 120.500 -0.320 0.000 2.643 49 R HA 0.472 4.812 4.340 0.000 0.000 0.269 49 R C -1.696 174.061 176.300 -0.905 0.000 1.037 49 R CA -0.754 54.957 56.100 -0.647 0.000 0.894 49 R CB 2.854 32.646 30.300 -0.846 0.000 1.238 49 R HN -0.163 nan 8.270 nan 0.000 0.459 50 V N 2.366 121.679 119.914 -1.001 0.000 2.380 50 V HA 0.301 4.422 4.120 0.000 0.000 0.272 50 V C -0.989 174.731 176.094 -0.623 0.000 1.011 50 V CA -0.926 60.821 62.300 -0.922 0.000 0.826 50 V CB 0.430 31.578 31.823 -1.126 0.000 1.040 50 V HN 0.616 nan 8.190 nan 0.000 0.441 51 W N 2.803 123.980 121.300 -0.205 0.000 2.190 51 W HA 0.490 5.150 4.660 0.000 0.000 0.330 51 W C 0.095 176.542 176.519 -0.119 0.000 1.299 51 W CA -0.536 56.766 57.345 -0.072 0.000 1.215 51 W CB 0.768 30.366 29.460 0.230 0.000 1.147 51 W HN 0.251 nan 8.180 nan 0.000 0.563 52 V N 4.417 124.316 119.914 -0.025 0.000 2.311 52 V HA 0.089 4.209 4.120 0.000 0.000 0.275 52 V C -1.036 174.919 176.094 -0.233 0.000 1.022 52 V CA -0.976 61.196 62.300 -0.212 0.000 0.830 52 V CB -0.055 31.263 31.823 -0.841 0.000 1.012 52 V HN 0.382 nan 8.190 nan 0.000 0.452 53 Y N 6.293 126.446 120.300 -0.244 0.000 2.504 53 Y HA 0.596 5.146 4.550 0.000 0.000 0.339 53 Y C -0.032 175.742 175.900 -0.210 0.000 0.974 53 Y CA -0.581 57.288 58.100 -0.385 0.000 1.232 53 Y CB 0.776 38.947 38.460 -0.482 0.000 1.108 53 Y HN 0.531 nan 8.280 nan 0.000 0.509 54 I N 5.547 125.892 120.570 -0.373 0.000 2.355 54 I HA 0.199 4.369 4.170 0.000 0.000 0.288 54 I C 0.122 176.111 176.117 -0.213 0.000 0.999 54 I CA -0.765 60.462 61.300 -0.121 0.000 1.163 54 I CB 1.513 39.464 38.000 -0.082 0.000 1.316 54 I HN 0.473 nan 8.210 nan 0.000 0.454 55 T N 4.931 119.442 114.554 -0.072 0.000 2.871 55 T HA 0.134 4.484 4.350 0.000 0.000 0.296 55 T C 1.292 175.968 174.700 -0.040 0.000 0.998 55 T CA 1.047 63.084 62.100 -0.104 0.000 1.162 55 T CB 0.646 69.487 68.868 -0.046 0.000 0.947 55 T HN 1.097 nan 8.240 nan 0.000 0.536 56 G N 2.032 110.759 108.800 -0.122 0.000 2.189 56 G HA2 -0.292 3.668 3.960 0.000 0.000 0.267 56 G HA3 -0.292 3.668 3.960 0.000 0.000 0.267 56 G C 0.767 175.628 174.900 -0.065 0.000 0.975 56 G CA 0.460 45.505 45.100 -0.093 0.000 0.644 56 G HN 0.655 nan 8.290 nan 0.000 0.537 57 V N -0.182 119.667 119.914 -0.109 0.000 2.996 57 V HA 0.242 4.362 4.120 0.000 0.000 0.235 57 V C 2.110 178.105 176.094 -0.166 0.000 1.205 57 V CA 2.376 64.594 62.300 -0.136 0.000 1.225 57 V CB 0.681 32.402 31.823 -0.169 0.000 0.995 57 V HN 0.910 nan 8.190 nan 0.000 0.484 58 T N -1.582 112.807 114.554 -0.275 0.000 3.200 58 T HA 0.220 4.570 4.350 0.000 0.000 0.284 58 T C 0.034 174.473 174.700 -0.436 0.000 1.009 58 T CA -0.105 61.813 62.100 -0.302 0.000 0.907 58 T CB -0.080 68.573 68.868 -0.359 0.000 1.120 58 T HN 0.516 nan 8.240 nan 0.000 0.534 59 D N 0.538 120.617 120.400 -0.536 0.000 2.595 59 D HA 0.165 4.805 4.640 0.000 0.000 0.268 59 D C 1.309 177.461 176.300 -0.248 0.000 1.181 59 D CA -0.563 53.059 54.000 -0.628 0.000 1.085 59 D CB -0.011 40.206 40.800 -0.972 0.000 1.186 59 D HN 0.352 nan 8.370 nan 0.000 0.621 60 H N -2.259 116.740 119.070 -0.119 0.000 2.489 60 H HA -0.098 4.458 4.556 0.000 0.000 0.295 60 H C 1.417 176.663 175.328 -0.137 0.000 1.082 60 H CA 1.620 57.626 56.048 -0.071 0.000 1.295 60 H CB -0.525 29.203 29.762 -0.057 0.000 1.380 60 H HN 0.358 nan 8.280 nan 0.000 0.548 61 H N 0.592 119.299 119.070 -0.604 0.000 2.387 61 H HA -0.058 4.498 4.556 0.000 0.000 0.299 61 H C 1.123 176.357 175.328 -0.157 0.000 1.099 61 H CA 1.544 57.386 56.048 -0.344 0.000 1.315 61 H CB 0.255 29.808 29.762 -0.347 0.000 1.380 61 H HN 0.548 nan 8.280 nan 0.000 0.513 62 Q N 0.509 120.282 119.800 -0.045 0.000 2.198 62 Q HA 0.050 4.390 4.340 0.000 0.000 0.209 62 Q C 0.016 175.986 176.000 -0.049 0.000 0.848 62 Q CA -0.260 55.518 55.803 -0.041 0.000 0.974 62 Q CB 0.271 28.971 28.738 -0.063 0.000 1.115 62 Q HN 0.377 nan 8.270 nan 0.000 0.494 63 N N 0.755 119.429 118.700 -0.044 0.000 2.716 63 N HA -0.192 4.548 4.740 0.000 0.000 0.250 63 N C -0.369 175.081 175.510 -0.100 0.000 1.033 63 N CA 1.002 54.021 53.050 -0.052 0.000 0.727 63 N CB -1.037 37.427 38.487 -0.038 0.000 0.950 63 N HN 0.303 nan 8.380 nan 0.000 0.541 64 A N 0.270 123.028 122.820 -0.103 0.000 2.340 64 A HA 0.311 4.631 4.320 0.000 0.000 0.268 64 A C 0.664 178.127 177.584 -0.201 0.000 1.100 64 A CA -0.372 51.591 52.037 -0.123 0.000 0.803 64 A CB 0.592 19.531 19.000 -0.101 0.000 1.043 64 A HN 0.287 nan 8.150 nan 0.000 0.488 65 Q N 1.670 121.327 119.800 -0.238 0.000 2.313 65 Q HA 0.190 4.530 4.340 0.000 0.000 0.266 65 Q C -2.221 173.640 176.000 -0.231 0.000 0.989 65 Q CA -1.526 54.046 55.803 -0.385 0.000 0.890 65 Q CB 0.051 28.635 28.738 -0.256 0.000 1.200 65 Q HN 0.413 nan 8.270 nan 0.000 0.396 66 P HA -0.169 nan 4.420 nan 0.000 0.253 66 P C -0.908 176.474 177.300 0.137 0.000 1.159 66 P CA 0.728 63.641 63.100 -0.311 0.000 0.779 66 P CB 0.314 31.241 31.700 -1.288 0.000 0.745 67 Q N 1.896 121.781 119.800 0.142 0.000 2.256 67 Q HA 0.409 4.749 4.340 0.000 0.000 0.254 67 Q C 0.468 176.469 176.000 0.003 0.000 0.916 67 Q CA 0.175 55.976 55.803 -0.002 0.000 0.932 67 Q CB 1.843 30.364 28.738 -0.363 0.000 1.207 67 Q HN 0.304 nan 8.270 nan 0.000 0.426 71 R N 1.262 121.308 120.500 -0.755 0.000 2.490 71 R HA 0.597 4.937 4.340 0.000 0.000 0.280 71 R C -0.105 175.990 176.300 -0.343 0.000 1.077 71 R CA -0.520 55.111 56.100 -0.781 0.000 1.065 71 R CB 0.630 30.184 30.300 -1.244 0.000 1.003 71 R HN 0.771 nan 8.270 nan 0.000 0.470 72 I N 3.112 123.561 120.570 -0.201 0.000 2.460 72 I HA 0.103 4.273 4.170 0.000 0.000 0.297 72 I C -0.007 176.017 176.117 -0.156 0.000 1.139 72 I CA -0.192 61.030 61.300 -0.130 0.000 1.340 72 I CB -0.198 37.751 38.000 -0.085 0.000 1.444 72 I HN 0.859 nan 8.210 nan 0.000 0.557 73 A N 5.681 128.416 122.820 -0.142 0.000 2.573 73 A HA 0.342 4.662 4.320 0.000 0.000 0.266 73 A C 1.485 179.006 177.584 -0.105 0.000 1.007 73 A CA 1.039 53.004 52.037 -0.120 0.000 0.878 73 A CB -1.098 17.850 19.000 -0.088 0.000 0.886 73 A HN 1.755 nan 8.150 nan 0.000 0.507 74 G N 1.475 110.216 108.800 -0.098 0.000 2.699 74 G HA2 0.027 3.988 3.960 0.000 0.000 0.198 74 G HA3 0.027 3.988 3.960 0.000 0.000 0.198 74 G C 0.568 175.426 174.900 -0.070 0.000 1.033 74 G CA 0.526 45.580 45.100 -0.078 0.000 0.728 74 G HN 2.122 nan 8.290 nan 0.000 0.484 75 T N -0.908 113.590 114.554 -0.093 0.000 2.841 75 T HA 0.552 4.902 4.350 0.000 0.000 0.276 75 T C 0.153 174.839 174.700 -0.023 0.000 1.003 75 T CA 0.617 62.684 62.100 -0.055 0.000 0.995 75 T CB 1.932 70.735 68.868 -0.108 0.000 1.260 75 T HN 0.278 nan 8.240 nan 0.000 0.581 76 D N -0.062 120.387 120.400 0.082 0.000 2.434 76 D HA 0.169 4.809 4.640 0.000 0.000 0.232 76 D C -0.086 176.395 176.300 0.301 0.000 1.166 76 D CA -0.385 53.704 54.000 0.148 0.000 0.830 76 D CB -0.669 40.215 40.800 0.140 0.000 0.960 76 D HN 0.303 nan 8.370 nan 0.000 0.497 77 V N 1.084 121.143 119.914 0.243 0.000 2.406 77 V HA 0.266 4.386 4.120 0.000 0.000 0.272 77 V C -0.474 175.809 176.094 0.315 0.000 1.043 77 V CA -0.768 61.820 62.300 0.479 0.000 0.915 77 V CB 0.375 32.305 31.823 0.178 0.000 0.988 77 V HN 0.100 nan 8.190 nan 0.000 0.466 78 W N 4.863 126.491 121.300 0.546 0.000 2.469 78 W HA 0.754 5.414 4.660 0.000 0.000 0.320 78 W C 0.317 177.082 176.519 0.410 0.000 1.086 78 W CA -0.469 57.129 57.345 0.422 0.000 1.211 78 W CB 1.219 30.960 29.460 0.469 0.000 1.298 78 W HN 0.403 nan 8.180 nan 0.000 0.525 79 R N 2.345 123.097 120.500 0.420 0.000 2.698 79 R HA 0.559 4.899 4.340 0.000 0.000 0.275 79 R C -2.152 174.281 176.300 0.220 0.000 1.001 79 R CA -0.737 55.458 56.100 0.159 0.000 0.896 79 R CB 1.938 32.201 30.300 -0.062 0.000 1.218 79 R HN 0.668 nan 8.270 nan 0.000 0.462 80 W N 2.215 123.475 121.300 -0.066 0.000 3.425 80 W HA 0.514 5.175 4.660 0.000 0.000 0.318 80 W C -1.804 174.717 176.519 0.004 0.000 1.201 80 W CA -0.087 57.246 57.345 -0.020 0.000 1.212 80 W CB 2.215 31.668 29.460 -0.011 0.000 1.355 80 W HN 0.484 nan 8.180 nan 0.000 0.515 81 S N 2.967 118.121 115.700 -0.910 0.000 2.568 81 S HA 0.840 5.310 4.470 0.000 0.000 0.293 81 S C -0.864 172.970 174.600 -1.278 0.000 1.089 81 S CA -0.660 57.052 58.200 -0.813 0.000 0.945 81 S CB 2.187 65.126 63.200 -0.434 0.000 1.077 81 S HN 0.493 nan 8.310 nan 0.000 0.485 82 T N 0.045 114.123 114.554 -0.792 0.000 2.739 82 T HA 0.687 5.037 4.350 0.000 0.000 0.303 82 T C -1.887 172.654 174.700 -0.265 0.000 1.389 82 T CA -0.367 61.384 62.100 -0.580 0.000 1.001 82 T CB 1.151 69.665 68.868 -0.591 0.000 1.436 82 T HN 0.852 nan 8.240 nan 0.000 0.500 83 A N 2.055 124.762 122.820 -0.188 0.000 2.292 83 A HA 0.853 5.173 4.320 0.000 0.000 0.319 83 A C -1.068 176.429 177.584 -0.145 0.000 1.206 83 A CA -0.531 51.435 52.037 -0.119 0.000 0.835 83 A CB 0.271 19.214 19.000 -0.095 0.000 1.164 83 A HN 0.752 nan 8.150 nan 0.000 0.505 84 L N 1.772 122.931 121.223 -0.107 0.000 2.388 84 L HA 0.493 4.833 4.340 0.000 0.000 0.264 84 L C 0.663 177.522 176.870 -0.019 0.000 0.998 84 L CA -0.774 53.946 54.840 -0.200 0.000 0.817 84 L CB 2.487 44.347 42.059 -0.333 0.000 1.338 84 L HN 0.877 nan 8.230 nan 0.000 0.414 85 S N 0.627 116.318 115.700 -0.015 0.000 2.608 85 S HA 0.368 4.838 4.470 0.000 0.000 0.261 85 S C 1.084 175.785 174.600 0.167 0.000 1.314 85 S CA -0.020 58.237 58.200 0.096 0.000 0.992 85 S CB 1.472 64.716 63.200 0.074 0.000 0.935 85 S HN 0.729 nan 8.310 nan 0.000 0.564 86 A N 1.363 124.305 122.820 0.204 0.000 1.902 86 A HA -0.089 4.231 4.320 0.000 0.000 0.217 86 A C 1.703 179.303 177.584 0.026 0.000 1.181 86 A CA 1.596 53.749 52.037 0.194 0.000 0.623 86 A CB -1.225 17.924 19.000 0.248 0.000 0.818 86 A HN 0.932 nan 8.150 nan 0.000 0.443 87 N N -2.337 116.398 118.700 0.058 0.000 2.314 87 N HA 0.108 4.848 4.740 0.000 0.000 0.200 87 N C -0.180 175.344 175.510 0.023 0.000 1.135 87 N CA -0.415 52.644 53.050 0.015 0.000 0.835 87 N CB 0.122 38.621 38.487 0.021 0.000 0.989 87 N HN 0.694 nan 8.380 nan 0.000 0.478 88 W N 2.269 123.495 121.300 -0.123 0.000 2.202 88 W HA 0.271 4.932 4.660 0.000 0.000 0.332 88 W C 0.267 176.702 176.519 -0.141 0.000 1.263 88 W CA -0.378 56.896 57.345 -0.117 0.000 1.223 88 W CB 0.529 29.932 29.460 -0.095 0.000 1.128 88 W HN -0.149 nan 8.180 nan 0.000 0.573 89 R N 3.844 123.565 120.500 -1.299 0.000 2.604 89 R HA 0.695 5.035 4.340 0.000 0.000 0.270 89 R C -0.992 174.202 176.300 -1.843 0.000 1.052 89 R CA -0.409 54.895 56.100 -1.328 0.000 0.902 89 R CB 1.445 31.359 30.300 -0.645 0.000 1.233 89 R HN 0.778 nan 8.270 nan 0.000 0.455 90 G N 0.838 108.796 108.800 -1.403 0.000 2.523 90 G HA2 0.341 4.301 3.960 0.000 0.000 0.291 90 G HA3 0.341 4.301 3.960 0.000 0.000 0.291 90 G C -1.560 173.297 174.900 -0.072 0.000 1.450 90 G CA -0.740 43.950 45.100 -0.684 0.000 0.790 90 G HN 0.507 nan 8.290 nan 0.000 0.496 91 S N -0.677 115.060 115.700 0.061 0.000 2.616 91 S HA 0.824 5.294 4.470 0.000 0.000 0.277 91 S C -0.796 173.944 174.600 0.234 0.000 1.234 91 S CA -0.271 58.017 58.200 0.147 0.000 1.028 91 S CB 0.967 64.201 63.200 0.056 0.000 0.988 91 S HN 1.144 nan 8.310 nan 0.000 0.522 92 Y N -1.743 118.549 120.300 -0.013 0.000 2.656 92 Y HA 0.724 5.275 4.550 0.000 0.000 0.334 92 Y C -0.904 174.899 175.900 -0.162 0.000 1.179 92 Y CA -1.790 56.292 58.100 -0.029 0.000 1.050 92 Y CB 0.276 38.772 38.460 0.059 0.000 1.308 92 Y HN 0.916 nan 8.280 nan 0.000 0.456 93 C N 0.109 119.311 119.300 -0.162 0.000 3.239 93 C HA 0.859 5.319 4.460 0.000 0.000 0.317 93 C C -1.627 173.276 174.990 -0.145 0.000 1.310 93 C CA -0.981 57.830 59.018 -0.346 0.000 1.371 93 C CB 0.850 28.471 27.740 -0.198 0.000 1.714 93 C HN 0.761 nan 8.230 nan 0.000 0.473 94 F N 0.839 120.756 119.950 -0.055 0.000 2.458 94 F HA 0.754 5.281 4.527 0.000 0.000 0.330 94 F C 0.443 176.129 175.800 -0.190 0.000 1.082 94 F CA -1.881 56.037 58.000 -0.137 0.000 0.995 94 F CB 1.226 40.071 39.000 -0.257 0.000 1.170 94 F HN 0.490 nan 8.300 nan 0.000 0.478 95 I N 4.493 125.082 120.570 0.032 0.000 2.668 95 I HA 0.220 4.390 4.170 0.000 0.000 0.276 95 I C -2.580 173.428 176.117 -0.182 0.000 1.139 95 I CA -1.817 59.486 61.300 0.004 0.000 1.133 95 I CB 1.024 39.165 38.000 0.236 0.000 1.327 95 I HN 0.205 nan 8.210 nan 0.000 0.520 96 P HA 0.204 nan 4.420 nan 0.000 0.282 96 P C -0.258 176.876 177.300 -0.277 0.000 1.262 96 P CA 0.206 62.928 63.100 -0.631 0.000 0.773 96 P CB 1.870 33.024 31.700 -0.911 0.000 0.879 97 T N 0.798 115.200 114.554 -0.254 0.000 2.792 97 T HA 0.232 4.582 4.350 0.000 0.000 0.303 97 T C 0.509 175.160 174.700 -0.082 0.000 1.310 97 T CA -0.419 61.623 62.100 -0.096 0.000 1.007 97 T CB 1.254 70.123 68.868 0.001 0.000 1.335 97 T HN 0.287 nan 8.240 nan 0.000 0.504 98 E N 0.123 120.312 120.200 -0.017 0.000 2.276 98 E HA 0.165 4.515 4.350 0.000 0.000 0.193 98 E C 0.333 176.942 176.600 0.016 0.000 0.983 98 E CA -0.001 56.402 56.400 0.005 0.000 0.861 98 E CB 0.287 30.000 29.700 0.022 0.000 0.817 98 E HN 0.362 nan 8.360 nan 0.000 0.485 99 R N 2.201 122.719 120.500 0.029 0.000 2.570 99 R HA -0.025 4.315 4.340 0.000 0.000 0.277 99 R C -0.028 176.324 176.300 0.086 0.000 1.039 99 R CA 0.584 56.713 56.100 0.048 0.000 1.065 99 R CB 0.184 30.513 30.300 0.049 0.000 0.964 99 R HN 0.180 nan 8.270 nan 0.000 0.428 100 D N 0.042 120.486 120.400 0.074 0.000 2.539 100 D HA -0.056 4.584 4.640 0.000 0.000 0.232 100 D C -0.154 176.198 176.300 0.088 0.000 1.256 100 D CA -0.203 53.861 54.000 0.105 0.000 0.810 100 D CB 0.240 41.081 40.800 0.067 0.000 1.090 100 D HN 0.523 nan 8.370 nan 0.000 0.519 101 D N 0.538 120.961 120.400 0.039 0.000 2.738 101 D HA 0.086 4.726 4.640 0.000 0.000 0.246 101 D C 0.992 177.247 176.300 -0.074 0.000 1.270 101 D CA -0.514 53.479 54.000 -0.011 0.000 0.833 101 D CB 0.449 41.234 40.800 -0.026 0.000 1.040 101 D HN 0.075 nan 8.370 nan 0.000 0.487 102 V N -0.621 119.242 119.914 -0.085 0.000 2.398 102 V HA 0.201 4.321 4.120 0.000 0.000 0.236 102 V C 0.570 176.382 176.094 -0.470 0.000 1.054 102 V CA 0.644 62.742 62.300 -0.336 0.000 1.060 102 V CB -0.406 31.136 31.823 -0.468 0.000 0.707 102 V HN 0.044 nan 8.190 nan 0.000 0.480 103 F N 0.031 119.874 119.950 -0.180 0.000 2.399 103 F HA 0.685 5.212 4.527 0.000 0.000 0.328 103 F C 0.598 176.301 175.800 -0.162 0.000 1.084 103 F CA -0.544 57.349 58.000 -0.178 0.000 1.053 103 F CB 0.663 39.557 39.000 -0.177 0.000 1.209 103 F HN 0.100 nan 8.300 nan 0.000 0.502 104 A N 1.277 124.018 122.820 -0.132 0.000 2.304 104 A HA 0.687 5.007 4.320 0.000 0.000 0.271 104 A C -0.224 177.057 177.584 -0.505 0.000 1.091 104 A CA -0.419 51.427 52.037 -0.319 0.000 0.812 104 A CB -0.003 18.760 19.000 -0.395 0.000 1.056 104 A HN 0.941 nan 8.150 nan 0.000 0.489 105 A N 0.675 123.308 122.820 -0.311 0.000 2.492 105 A HA 0.511 4.831 4.320 0.000 0.000 0.254 105 A C -0.666 176.722 177.584 -0.327 0.000 1.091 105 A CA 0.192 52.113 52.037 -0.195 0.000 0.768 105 A CB -0.675 18.281 19.000 -0.073 0.000 1.028 105 A HN 0.549 nan 8.150 nan 0.000 0.498 106 F N 1.745 121.720 119.950 0.043 0.000 2.436 106 F HA 0.554 5.081 4.527 0.000 0.000 0.340 106 F C 0.896 176.714 175.800 0.029 0.000 1.113 106 F CA -0.044 57.973 58.000 0.029 0.000 1.022 106 F CB 1.670 40.680 39.000 0.017 0.000 1.128 106 F HN 0.744 nan 8.300 nan 0.000 0.466 107 A N 3.807 126.747 122.820 0.200 0.000 2.296 107 A HA 0.588 4.908 4.320 0.000 0.000 0.264 107 A C -2.429 175.227 177.584 0.120 0.000 1.097 107 A CA -1.459 50.651 52.037 0.123 0.000 0.811 107 A CB -0.354 18.696 19.000 0.083 0.000 1.072 107 A HN 0.488 nan 8.150 nan 0.000 0.495 108 P HA 0.373 nan 4.420 nan 0.000 0.266 108 P C 0.517 177.846 177.300 0.048 0.000 1.586 108 P CA 0.911 64.049 63.100 0.063 0.000 1.088 108 P CB 0.445 32.175 31.700 0.049 0.000 1.584 109 G N 2.634 111.461 108.800 0.046 0.000 3.382 109 G HA2 -0.116 3.844 3.960 0.000 0.000 0.214 109 G HA3 -0.116 3.844 3.960 0.000 0.000 0.214 109 G C -0.104 174.815 174.900 0.032 0.000 1.025 109 G CA -0.434 44.685 45.100 0.032 0.000 0.869 109 G HN 0.560 nan 8.290 nan 0.000 0.458 110 E N 1.418 121.652 120.200 0.057 0.000 2.373 110 E HA 0.512 4.862 4.350 0.000 0.000 0.267 110 E C -0.809 175.806 176.600 0.025 0.000 1.032 110 E CA 0.052 56.490 56.400 0.064 0.000 0.889 110 E CB 0.802 30.575 29.700 0.122 0.000 0.984 110 E HN -0.004 nan 8.360 nan 0.000 0.425 111 T N 5.184 119.745 114.554 0.012 0.000 2.762 111 T HA 0.252 4.602 4.350 0.000 0.000 0.303 111 T C -2.140 172.545 174.700 -0.025 0.000 0.977 111 T CA -1.236 60.846 62.100 -0.030 0.000 0.961 111 T CB 0.673 69.533 68.868 -0.014 0.000 0.944 111 T HN 0.435 nan 8.240 nan 0.000 0.481 112 P HA 0.126 nan 4.420 nan 0.000 0.269 112 P C -0.214 177.091 177.300 0.008 0.000 1.217 112 P CA -0.492 62.563 63.100 -0.076 0.000 0.783 112 P CB 0.473 31.896 31.700 -0.461 0.000 0.898 113 D N 0.406 120.855 120.400 0.081 0.000 2.351 113 D HA 0.032 4.672 4.640 0.000 0.000 0.251 113 D C 1.228 177.557 176.300 0.049 0.000 1.137 113 D CA -0.072 53.962 54.000 0.057 0.000 0.879 113 D CB 0.543 41.382 40.800 0.065 0.000 1.181 113 D HN 0.205 nan 8.370 nan 0.000 0.448 114 R N 3.088 123.606 120.500 0.031 0.000 2.091 114 R HA -0.171 4.169 4.340 0.000 0.000 0.238 114 R C 1.065 177.378 176.300 0.022 0.000 1.136 114 R CA 1.294 57.417 56.100 0.039 0.000 0.959 114 R CB 0.072 30.385 30.300 0.021 0.000 0.856 114 R HN 0.443 nan 8.270 nan 0.000 0.437 115 N N -0.220 118.480 118.700 0.000 0.000 2.244 115 N HA -0.107 4.633 4.740 0.000 0.000 0.183 115 N C 1.616 177.123 175.510 -0.005 0.000 1.016 115 N CA 1.025 54.064 53.050 -0.019 0.000 0.866 115 N CB -0.101 38.372 38.487 -0.024 0.000 0.980 115 N HN 0.062 nan 8.380 nan 0.000 0.430 116 V N 1.110 121.041 119.914 0.029 0.000 2.453 116 V HA -0.089 4.031 4.120 0.000 0.000 0.247 116 V C 2.249 178.380 176.094 0.062 0.000 1.048 116 V CA 0.981 63.303 62.300 0.037 0.000 1.049 116 V CB -0.436 31.450 31.823 0.105 0.000 0.672 116 V HN 0.216 nan 8.190 nan 0.000 0.457 117 L N -0.878 120.424 121.223 0.132 0.000 2.027 117 L HA -0.112 4.228 4.340 0.000 0.000 0.206 117 L C 2.903 179.930 176.870 0.262 0.000 1.074 117 L CA 1.353 56.334 54.840 0.234 0.000 0.745 117 L CB -0.680 41.556 42.059 0.294 0.000 0.898 117 L HN 0.197 nan 8.230 nan 0.000 0.433 118 R N 0.126 120.709 120.500 0.139 0.000 2.097 118 R HA -0.205 4.135 4.340 0.000 0.000 0.236 118 R C 2.187 178.496 176.300 0.014 0.000 1.135 118 R CA 1.541 57.664 56.100 0.037 0.000 0.934 118 R CB -0.788 29.448 30.300 -0.107 0.000 0.846 118 R HN 0.363 nan 8.270 nan 0.000 0.431 119 E N 0.183 120.353 120.200 -0.050 0.000 2.077 119 E HA -0.132 4.218 4.350 0.000 0.000 0.193 119 E C 1.919 178.389 176.600 -0.216 0.000 0.989 119 E CA 1.628 57.963 56.400 -0.109 0.000 0.800 119 E CB -0.330 29.306 29.700 -0.107 0.000 0.746 119 E HN 0.417 nan 8.360 nan 0.000 0.452 120 G N -0.121 108.474 108.800 -0.342 0.000 2.421 120 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 120 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 120 G C 1.461 175.928 174.900 -0.723 0.000 1.171 120 G CA 0.736 45.308 45.100 -0.881 0.000 0.775 120 G HN 0.348 nan 8.290 nan 0.000 0.543 121 W N 0.654 121.886 121.300 -0.113 0.000 2.388 121 W HA 0.123 4.783 4.660 0.000 0.000 0.294 121 W C 2.916 179.327 176.519 -0.180 0.000 1.212 121 W CA 0.332 57.632 57.345 -0.075 0.000 1.271 121 W CB 0.010 29.500 29.460 0.049 0.000 1.126 121 W HN 0.056 nan 8.180 nan 0.000 0.535 122 R N 0.479 121.007 120.500 0.046 0.000 2.159 122 R HA -0.187 4.153 4.340 0.000 0.000 0.237 122 R C 1.853 178.114 176.300 -0.065 0.000 1.131 122 R CA 1.396 57.484 56.100 -0.020 0.000 0.982 122 R CB -0.422 29.858 30.300 -0.033 0.000 0.868 122 R HN 0.424 nan 8.270 nan 0.000 0.453 123 Q N -0.198 119.531 119.800 -0.119 0.000 2.331 123 Q HA 0.024 4.364 4.340 0.000 0.000 0.203 123 Q C 1.811 177.751 176.000 -0.100 0.000 0.944 123 Q CA 0.749 56.475 55.803 -0.128 0.000 0.892 123 Q CB 0.336 28.958 28.738 -0.193 0.000 0.983 123 Q HN 0.357 nan 8.270 nan 0.000 0.482 124 L N -0.608 120.563 121.223 -0.086 0.000 2.388 124 L HA 0.045 4.385 4.340 0.000 0.000 0.209 124 L C 1.974 178.811 176.870 -0.055 0.000 1.061 124 L CA 0.112 54.937 54.840 -0.025 0.000 0.834 124 L CB -0.114 41.963 42.059 0.030 0.000 1.029 124 L HN 0.144 nan 8.230 nan 0.000 0.473 125 L N 0.659 121.812 121.223 -0.117 0.000 2.137 125 L HA -0.195 4.145 4.340 0.000 0.000 0.213 125 L C -0.360 176.329 176.870 -0.300 0.000 1.085 125 L CA 1.523 56.148 54.840 -0.359 0.000 0.760 125 L CB -1.625 40.167 42.059 -0.444 0.000 0.893 125 L HN 0.236 nan 8.230 nan 0.000 0.434 126 P HA -0.181 nan 4.420 nan 0.000 0.218 126 P C 1.232 178.493 177.300 -0.065 0.000 1.149 126 P CA 1.250 64.308 63.100 -0.069 0.000 0.817 126 P CB 0.006 31.683 31.700 -0.038 0.000 0.785 127 Q N -0.910 118.849 119.800 -0.069 0.000 2.444 127 Q HA 0.176 4.516 4.340 0.000 0.000 0.206 127 Q C 0.655 176.615 176.000 -0.066 0.000 0.948 127 Q CA -0.268 55.509 55.803 -0.044 0.000 0.946 127 Q CB -0.209 28.518 28.738 -0.019 0.000 1.027 127 Q HN 0.143 nan 8.270 nan 0.000 0.513 128 A N 1.900 124.632 122.820 -0.146 0.000 2.540 128 A HA 0.323 4.643 4.320 0.000 0.000 0.239 128 A C 0.227 177.757 177.584 -0.089 0.000 1.061 128 A CA -0.003 51.921 52.037 -0.188 0.000 0.758 128 A CB -0.171 18.532 19.000 -0.496 0.000 0.991 128 A HN 0.451 nan 8.150 nan 0.000 0.502 129 I N -1.177 119.355 120.570 -0.062 0.000 2.892 129 I HA 0.830 5.000 4.170 0.000 0.000 0.306 129 I C 0.232 176.290 176.117 -0.099 0.000 1.078 129 I CA -1.191 60.091 61.300 -0.030 0.000 1.032 129 I CB 2.035 40.066 38.000 0.053 0.000 1.229 129 I HN 0.676 nan 8.210 nan 0.000 0.435 130 A N 2.036 124.783 122.820 -0.122 0.000 2.296 130 A HA 0.216 4.536 4.320 0.000 0.000 0.264 130 A C -0.270 177.220 177.584 -0.158 0.000 1.097 130 A CA -0.169 51.721 52.037 -0.245 0.000 0.811 130 A CB 0.204 19.074 19.000 -0.217 0.000 1.072 130 A HN 0.840 nan 8.150 nan 0.000 0.495 131 D N 0.487 120.722 120.400 -0.276 0.000 2.346 131 D HA 0.239 4.879 4.640 0.000 0.000 0.260 131 D C -1.676 174.735 176.300 0.184 0.000 1.252 131 D CA -1.724 52.288 54.000 0.020 0.000 0.895 131 D CB 0.928 41.772 40.800 0.073 0.000 1.097 131 D HN 0.080 nan 8.370 nan 0.000 0.489 132 P HA -0.090 nan 4.420 nan 0.000 0.222 132 P C 1.132 178.537 177.300 0.174 0.000 1.147 132 P CA 0.545 63.762 63.100 0.195 0.000 0.790 132 P CB 0.301 32.113 31.700 0.187 0.000 0.780 133 L N -1.658 119.717 121.223 0.253 0.000 2.209 133 L HA 0.076 4.416 4.340 0.000 0.000 0.207 133 L C 1.111 178.104 176.870 0.205 0.000 1.094 133 L CA 0.908 55.885 54.840 0.228 0.000 0.790 133 L CB -1.419 40.830 42.059 0.317 0.000 0.932 133 L HN -0.049 nan 8.230 nan 0.000 0.447 134 N N -0.163 118.674 118.700 0.229 0.000 2.411 134 N HA -0.003 4.737 4.740 0.000 0.000 0.259 134 N C 1.127 176.718 175.510 0.135 0.000 1.103 134 N CA 0.540 53.710 53.050 0.200 0.000 0.954 134 N CB 1.149 39.785 38.487 0.249 0.000 1.085 134 N HN 0.154 nan 8.380 nan 0.000 0.485 135 S N 2.688 118.463 115.700 0.126 0.000 2.461 135 S HA -0.065 4.405 4.470 0.000 0.000 0.228 135 S C 0.536 175.204 174.600 0.113 0.000 1.005 135 S CA 0.518 58.779 58.200 0.102 0.000 0.942 135 S CB -0.187 63.067 63.200 0.090 0.000 0.776 135 S HN 0.686 nan 8.310 nan 0.000 0.514 136 Q N 2.162 122.046 119.800 0.140 0.000 2.815 136 Q HA 0.426 4.766 4.340 0.000 0.000 0.235 136 Q C -0.797 175.352 176.000 0.248 0.000 1.354 136 Q CA -0.170 55.742 55.803 0.182 0.000 0.953 136 Q CB 0.158 29.005 28.738 0.182 0.000 1.613 136 Q HN 0.323 nan 8.270 nan 0.000 0.572 137 S N 1.164 117.001 115.700 0.228 0.000 2.599 137 S HA 0.783 5.253 4.470 0.000 0.000 0.287 137 S C -1.220 173.563 174.600 0.306 0.000 1.105 137 S CA -0.867 57.421 58.200 0.146 0.000 0.899 137 S CB 1.252 64.417 63.200 -0.059 0.000 1.100 137 S HN 0.612 nan 8.310 nan 0.000 0.482 138 W N 0.088 121.323 121.300 -0.108 0.000 2.959 138 W HA 0.675 5.336 4.660 0.000 0.000 0.358 138 W C -1.526 174.911 176.519 -0.135 0.000 1.228 138 W CA -1.029 56.243 57.345 -0.121 0.000 1.183 138 W CB 0.443 29.815 29.460 -0.146 0.000 1.467 138 W HN 0.240 nan 8.180 nan 0.000 0.578 139 R N 1.668 122.153 120.500 -0.025 0.000 2.248 139 R HA 0.242 4.583 4.340 0.000 0.000 0.328 139 R C 1.185 177.407 176.300 -0.130 0.000 1.067 139 R CA 0.262 56.277 56.100 -0.141 0.000 0.924 139 R CB 0.605 30.861 30.300 -0.074 0.000 1.013 139 R HN 0.983 nan 8.270 nan 0.000 0.454 140 G N 1.537 110.124 108.800 -0.355 0.000 2.462 140 G HA2 -0.180 3.780 3.960 0.000 0.000 0.220 140 G HA3 -0.180 3.780 3.960 0.000 0.000 0.220 140 G C 1.038 175.963 174.900 0.041 0.000 1.121 140 G CA 1.025 45.965 45.100 -0.266 0.000 0.758 140 G HN 0.807 nan 8.290 nan 0.000 0.559 141 G N -0.750 108.048 108.800 -0.002 0.000 2.279 141 G HA2 -0.230 3.730 3.960 0.000 0.000 0.223 141 G HA3 -0.230 3.730 3.960 0.000 0.000 0.223 141 G C 1.205 176.110 174.900 0.007 0.000 1.015 141 G CA 0.345 45.507 45.100 0.102 0.000 0.621 141 G HN 0.433 nan 8.290 nan 0.000 0.506 142 R N 0.987 121.432 120.500 -0.091 0.000 2.426 142 R HA 0.408 4.748 4.340 0.000 0.000 0.263 142 R C 1.637 177.927 176.300 -0.017 0.000 0.961 142 R CA 0.869 56.943 56.100 -0.043 0.000 1.086 142 R CB 0.089 30.377 30.300 -0.021 0.000 1.186 142 R HN 1.483 nan 8.270 nan 0.000 0.537 143 G N 1.937 110.702 108.800 -0.058 0.000 2.134 143 G HA2 -0.212 3.748 3.960 0.000 0.000 0.209 143 G HA3 -0.212 3.748 3.960 0.000 0.000 0.209 143 G C -0.200 174.724 174.900 0.040 0.000 0.993 143 G CA 0.234 45.336 45.100 0.003 0.000 0.669 143 G HN 0.627 nan 8.290 nan 0.000 0.519 144 H N -2.076 116.938 119.070 -0.093 0.000 3.079 144 H HA 0.749 5.305 4.556 0.000 0.000 0.356 144 H C 0.028 175.236 175.328 -0.201 0.000 1.221 144 H CA -0.468 55.499 56.048 -0.134 0.000 1.185 144 H CB 1.037 30.709 29.762 -0.151 0.000 1.882 144 H HN 0.962 nan 8.280 nan 0.000 0.543 145 A N 1.989 124.731 122.820 -0.129 0.000 2.445 145 A HA 0.509 4.829 4.320 0.000 0.000 0.242 145 A C 0.571 177.927 177.584 -0.380 0.000 1.075 145 A CA 0.288 52.156 52.037 -0.282 0.000 0.777 145 A CB 0.102 18.986 19.000 -0.193 0.000 1.013 145 A HN 0.927 nan 8.150 nan 0.000 0.493 146 V N -0.881 118.597 119.914 -0.726 0.000 3.141 146 V HA 0.921 5.041 4.120 0.000 0.000 0.312 146 V C -0.112 175.330 176.094 -1.087 0.000 1.157 146 V CA -0.565 61.211 62.300 -0.873 0.000 1.041 146 V CB 1.657 32.906 31.823 -0.957 0.000 1.071 146 V HN 0.888 nan 8.190 nan 0.000 0.441 147 S N 0.328 115.434 115.700 -0.990 0.000 2.599 147 S HA 0.927 5.397 4.470 0.000 0.000 0.294 147 S C -0.194 174.240 174.600 -0.278 0.000 1.094 147 S CA -0.166 57.620 58.200 -0.690 0.000 0.931 147 S CB 1.742 64.451 63.200 -0.818 0.000 1.093 147 S HN 1.568 nan 8.310 nan 0.000 0.488 148 A N 1.324 124.288 122.820 0.241 0.000 2.312 148 A HA 0.837 5.157 4.320 0.000 0.000 0.326 148 A C -1.201 176.623 177.584 0.400 0.000 1.172 148 A CA -0.456 51.813 52.037 0.387 0.000 0.821 148 A CB 0.532 19.731 19.000 0.332 0.000 1.166 148 A HN 0.626 nan 8.150 nan 0.000 0.493 149 L N 1.606 123.018 121.223 0.315 0.000 2.464 149 L HA 0.683 5.023 4.340 0.000 0.000 0.266 149 L C -0.535 176.337 176.870 0.003 0.000 0.965 149 L CA 0.051 55.038 54.840 0.245 0.000 0.833 149 L CB 1.800 44.089 42.059 0.383 0.000 1.296 149 L HN 0.915 nan 8.230 nan 0.000 0.405 153 D N 0.779 121.085 120.400 -0.157 0.000 2.460 153 D HA 0.423 5.064 4.640 0.000 0.000 0.229 153 D C 0.445 176.696 176.300 -0.081 0.000 1.170 153 D CA 0.180 54.140 54.000 -0.067 0.000 0.827 153 D CB 0.007 40.808 40.800 0.002 0.000 0.973 153 D HN 0.370 nan 8.370 nan 0.000 0.496 154 A N 2.104 124.846 122.820 -0.130 0.000 2.477 154 A HA 0.384 4.704 4.320 0.000 0.000 0.246 154 A C -1.895 175.629 177.584 -0.100 0.000 1.078 154 A CA -0.900 51.058 52.037 -0.132 0.000 0.770 154 A CB 0.004 18.890 19.000 -0.190 0.000 1.011 154 A HN -0.018 nan 8.150 nan 0.000 0.494 155 P HA 0.157 nan 4.420 nan 0.000 0.269 155 P C -0.416 176.843 177.300 -0.068 0.000 1.209 155 P CA 0.018 63.078 63.100 -0.066 0.000 0.776 155 P CB 0.316 31.978 31.700 -0.064 0.000 0.876 156 L N 2.099 123.297 121.223 -0.041 0.000 2.456 156 L HA 0.056 4.397 4.340 0.000 0.000 0.272 156 L C 1.147 178.007 176.870 -0.017 0.000 1.189 156 L CA 0.361 55.186 54.840 -0.025 0.000 0.846 156 L CB -0.330 41.724 42.059 -0.008 0.000 1.111 156 L HN 0.308 nan 8.230 nan 0.000 0.475 157 Q N 3.829 123.635 119.800 0.010 0.000 2.462 157 Q HA 0.302 4.642 4.340 0.000 0.000 0.247 157 Q C -2.313 173.798 176.000 0.185 0.000 1.044 157 Q CA -2.065 53.782 55.803 0.073 0.000 0.803 157 Q CB 1.260 29.994 28.738 -0.006 0.000 1.190 157 Q HN 0.322 nan 8.270 nan 0.000 0.507 158 P HA -0.119 nan 4.420 nan 0.000 0.262 158 P C 0.920 178.214 177.300 -0.011 0.000 1.182 158 P CA 1.259 64.387 63.100 0.046 0.000 0.761 158 P CB 0.684 32.389 31.700 0.007 0.000 0.795 159 G N 1.992 110.735 108.800 -0.096 0.000 2.550 159 G HA2 -0.313 3.648 3.960 0.000 0.000 0.233 159 G HA3 -0.313 3.648 3.960 0.000 0.000 0.233 159 G C 0.919 175.647 174.900 -0.286 0.000 1.170 159 G CA 0.218 45.162 45.100 -0.260 0.000 0.693 159 G HN 0.485 nan 8.290 nan 0.000 0.512 160 W N 1.694 122.938 121.300 -0.092 0.000 2.467 160 W HA 0.246 4.906 4.660 0.000 0.000 0.275 160 W C 2.125 178.601 176.519 -0.072 0.000 1.239 160 W CA 0.945 58.233 57.345 -0.094 0.000 1.266 160 W CB -0.064 29.327 29.460 -0.115 0.000 1.112 160 W HN 0.219 nan 8.180 nan 0.000 0.576 161 D N -0.036 120.441 120.400 0.128 0.000 2.123 161 D HA -0.043 4.597 4.640 0.000 0.000 0.200 161 D C 0.814 177.133 176.300 0.033 0.000 0.976 161 D CA 1.169 55.210 54.000 0.068 0.000 0.831 161 D CB -0.292 40.535 40.800 0.045 0.000 0.974 161 D HN 0.137 nan 8.370 nan 0.000 0.469 162 R N 1.067 121.568 120.500 0.002 0.000 3.057 162 R HA 0.260 4.600 4.340 0.000 0.000 0.291 162 R C -2.471 173.804 176.300 -0.042 0.000 1.394 162 R CA -1.385 54.709 56.100 -0.011 0.000 1.630 162 R CB 1.409 31.703 30.300 -0.009 0.000 1.268 162 R HN 0.117 nan 8.270 nan 0.000 0.621 163 P HA 0.001 nan 4.420 nan 0.000 0.268 163 P C -0.683 176.587 177.300 -0.050 0.000 1.204 163 P CA 0.260 63.311 63.100 -0.081 0.000 0.768 163 P CB 1.012 32.679 31.700 -0.056 0.000 0.842 164 E N 0.310 120.474 120.200 -0.060 0.000 2.314 164 E HA 0.262 4.612 4.350 0.000 0.000 0.272 164 E C -0.298 176.283 176.600 -0.031 0.000 0.884 164 E CA -0.859 55.527 56.400 -0.023 0.000 0.753 164 E CB 1.518 31.238 29.700 0.034 0.000 1.213 164 E HN 0.379 nan 8.360 nan 0.000 0.432 165 T N 0.530 115.065 114.554 -0.032 0.000 2.867 165 T HA 0.171 4.522 4.350 0.000 0.000 0.297 165 T C -2.158 172.503 174.700 -0.065 0.000 0.989 165 T CA -1.383 60.700 62.100 -0.028 0.000 1.159 165 T CB 0.158 69.019 68.868 -0.011 0.000 0.928 165 T HN 0.115 nan 8.240 nan 0.000 0.538 166 P HA 0.105 nan 4.420 nan 0.000 0.276 166 P C 0.155 177.436 177.300 -0.031 0.000 1.230 166 P CA -0.492 62.565 63.100 -0.072 0.000 0.776 166 P CB 0.459 32.140 31.700 -0.031 0.000 0.888 167 Y N 0.026 120.384 120.300 0.096 0.000 2.274 167 Y HA -0.079 4.471 4.550 0.000 0.000 0.290 167 Y C 1.341 177.247 175.900 0.010 0.000 1.145 167 Y CA 0.927 59.049 58.100 0.036 0.000 1.203 167 Y CB -0.646 37.841 38.460 0.046 0.000 0.984 167 Y HN 0.223 nan 8.280 nan 0.000 0.533 168 S N 2.286 118.069 115.700 0.140 0.000 2.437 168 S HA 0.356 4.826 4.470 0.000 0.000 0.305 168 S C -2.541 172.032 174.600 -0.045 0.000 1.109 168 S CA -1.415 56.815 58.200 0.051 0.000 1.099 168 S CB 1.538 64.770 63.200 0.054 0.000 1.004 168 S HN -0.067 nan 8.310 nan 0.000 0.475 169 P HA 0.299 nan 4.420 nan 0.000 0.275 169 P C -2.719 174.431 177.300 -0.250 0.000 1.227 169 P CA -1.643 61.364 63.100 -0.155 0.000 0.781 169 P CB -0.434 31.210 31.700 -0.094 0.000 0.906 170 P HA 0.183 nan 4.420 nan 0.000 0.271 170 P C -0.371 176.787 177.300 -0.237 0.000 1.216 170 P CA 0.300 63.025 63.100 -0.625 0.000 0.776 170 P CB 0.767 31.564 31.700 -1.504 0.000 0.881 175 W N 6.796 127.861 121.300 -0.391 0.000 2.311 175 W HA 0.460 5.120 4.660 0.000 0.000 0.317 175 W C -1.068 175.254 176.519 -0.329 0.000 1.065 175 W CA -0.397 56.770 57.345 -0.296 0.000 1.364 175 W CB 0.535 29.890 29.460 -0.174 0.000 1.233 175 W HN 0.554 nan 8.180 nan 0.000 0.409 176 H N 4.268 123.289 119.070 -0.080 0.000 2.652 176 H HA 0.189 4.745 4.556 0.000 0.000 0.298 176 H C -0.047 175.079 175.328 -0.337 0.000 1.076 176 H CA -0.213 55.698 56.048 -0.229 0.000 1.360 176 H CB 1.434 31.147 29.762 -0.081 0.000 1.421 176 H HN 0.283 nan 8.280 nan 0.000 0.464 177 S N 2.334 117.745 115.700 -0.482 0.000 2.457 177 S HA 0.049 4.519 4.470 0.000 0.000 0.289 177 S C 1.296 175.812 174.600 -0.140 0.000 1.163 177 S CA -0.711 57.259 58.200 -0.383 0.000 1.078 177 S CB 1.315 64.088 63.200 -0.713 0.000 0.987 177 S HN 0.795 nan 8.310 nan 0.000 0.482 178 E N 3.790 123.973 120.200 -0.028 0.000 2.051 178 E HA -0.132 4.219 4.350 0.000 0.000 0.189 178 E C 2.004 178.598 176.600 -0.011 0.000 0.979 178 E CA 0.712 57.107 56.400 -0.007 0.000 0.803 178 E CB -0.132 29.582 29.700 0.025 0.000 0.761 178 E HN 0.694 nan 8.360 nan 0.000 0.451 179 R N 0.844 121.348 120.500 0.007 0.000 2.112 179 R HA -0.152 4.188 4.340 0.000 0.000 0.242 179 R C 2.208 178.503 176.300 -0.007 0.000 1.137 179 R CA 1.917 58.027 56.100 0.017 0.000 0.944 179 R CB -0.731 29.595 30.300 0.044 0.000 0.857 179 R HN 0.300 nan 8.270 nan 0.000 0.435 180 L N -1.274 119.915 121.223 -0.056 0.000 2.270 180 L HA 0.249 4.589 4.340 0.000 0.000 0.210 180 L C 1.263 178.097 176.870 -0.059 0.000 1.104 180 L CA 0.547 55.350 54.840 -0.063 0.000 0.804 180 L CB -0.196 41.788 42.059 -0.124 0.000 0.937 180 L HN 0.673 nan 8.230 nan 0.000 0.450 181 G N 1.482 110.236 108.800 -0.077 0.000 2.182 181 G HA2 -0.278 3.682 3.960 0.000 0.000 0.248 181 G HA3 -0.278 3.682 3.960 0.000 0.000 0.248 181 G C -0.257 174.611 174.900 -0.054 0.000 1.042 181 G CA 0.486 45.555 45.100 -0.052 0.000 0.775 181 G HN 0.607 nan 8.290 nan 0.000 0.501 182 N N -1.807 116.825 118.700 -0.113 0.000 2.732 182 N HA 0.739 5.479 4.740 0.000 0.000 0.259 182 N C -0.731 174.660 175.510 -0.200 0.000 1.402 182 N CA -0.323 52.660 53.050 -0.111 0.000 0.829 182 N CB 1.020 39.467 38.487 -0.066 0.000 1.495 182 N HN 0.087 nan 8.380 nan 0.000 0.511 183 S N -0.496 115.113 115.700 -0.151 0.000 2.537 183 S HA 0.746 5.216 4.470 0.000 0.000 0.301 183 S C -0.764 173.687 174.600 -0.247 0.000 1.092 183 S CA -0.806 57.278 58.200 -0.195 0.000 1.048 183 S CB 1.131 64.338 63.200 0.011 0.000 1.053 183 S HN 0.675 nan 8.310 nan 0.000 0.501 184 R N 0.934 121.266 120.500 -0.281 0.000 2.663 184 R HA 0.357 4.697 4.340 0.000 0.000 0.267 184 R C -1.465 174.748 176.300 -0.146 0.000 1.038 184 R CA -0.724 55.273 56.100 -0.173 0.000 0.886 184 R CB 1.305 31.526 30.300 -0.133 0.000 1.249 184 R HN 0.638 nan 8.270 nan 0.000 0.463 185 R N 1.361 121.753 120.500 -0.179 0.000 2.410 185 R HA 0.402 4.742 4.340 0.000 0.000 0.288 185 R C -0.425 175.657 176.300 -0.364 0.000 1.051 185 R CA -0.555 55.311 56.100 -0.390 0.000 1.021 185 R CB 1.457 31.361 30.300 -0.659 0.000 1.032 185 R HN 0.418 nan 8.270 nan 0.000 0.481 186 V N -0.957 118.716 119.914 -0.401 0.000 2.760 186 V HA 0.581 4.701 4.120 0.000 0.000 0.309 186 V C -1.046 174.939 176.094 -0.182 0.000 1.077 186 V CA -1.086 61.144 62.300 -0.117 0.000 0.910 186 V CB 1.984 33.818 31.823 0.018 0.000 1.008 186 V HN 0.680 nan 8.190 nan 0.000 0.424 187 W N 3.787 125.191 121.300 0.175 0.000 2.551 187 W HA 0.769 5.430 4.660 0.000 0.000 0.330 187 W C -0.734 175.903 176.519 0.195 0.000 1.063 187 W CA -0.784 56.686 57.345 0.208 0.000 1.222 187 W CB 2.238 31.942 29.460 0.407 0.000 1.349 187 W HN 0.561 nan 8.180 nan 0.000 0.536 188 I N 3.735 124.483 120.570 0.297 0.000 2.509 188 I HA 0.411 4.581 4.170 0.000 0.000 0.293 188 I C -0.928 175.265 176.117 0.127 0.000 1.020 188 I CA -1.016 60.403 61.300 0.198 0.000 1.088 188 I CB 2.057 40.112 38.000 0.091 0.000 1.267 188 I HN 0.048 nan 8.210 nan 0.000 0.430 189 L N 5.911 127.261 121.223 0.213 0.000 2.438 189 L HA 0.589 4.929 4.340 0.000 0.000 0.270 189 L C -0.392 176.622 176.870 0.239 0.000 0.972 189 L CA 0.060 54.997 54.840 0.161 0.000 0.831 189 L CB 2.226 44.439 42.059 0.257 0.000 1.273 189 L HN 0.704 nan 8.230 nan 0.000 0.405 190 T N -0.581 114.058 114.554 0.141 0.000 2.797 190 T HA 0.510 4.860 4.350 0.000 0.000 0.279 190 T C 0.482 175.265 174.700 0.138 0.000 0.991 190 T CA 0.118 62.292 62.100 0.124 0.000 0.979 190 T CB 1.342 70.253 68.868 0.072 0.000 0.943 190 T HN 0.706 nan 8.240 nan 0.000 0.444 191 T N -0.729 113.912 114.554 0.145 0.000 3.215 191 T HA 0.593 4.943 4.350 0.000 0.000 0.271 191 T C 0.655 175.421 174.700 0.111 0.000 1.012 191 T CA -0.168 62.011 62.100 0.132 0.000 0.899 191 T CB -0.274 68.681 68.868 0.145 0.000 1.089 191 T HN 1.283 nan 8.240 nan 0.000 0.552 192 G N -0.226 108.628 108.800 0.089 0.000 2.633 192 G HA2 0.466 4.426 3.960 0.000 0.000 0.299 192 G HA3 0.466 4.426 3.960 0.000 0.000 0.299 192 G C -1.106 173.818 174.900 0.040 0.000 1.501 192 G CA -0.708 44.434 45.100 0.070 0.000 0.887 192 G HN -0.012 nan 8.290 nan 0.000 0.561 193 D N -0.044 120.375 120.400 0.032 0.000 2.441 193 D HA 0.115 4.755 4.640 0.000 0.000 0.210 193 D C 0.458 176.757 176.300 -0.002 0.000 1.102 193 D CA 0.204 54.212 54.000 0.014 0.000 0.840 193 D CB 0.804 41.611 40.800 0.011 0.000 0.990 193 D HN 0.342 nan 8.370 nan 0.000 0.505 194 E N 0.912 121.109 120.200 -0.005 0.000 2.354 194 E HA 0.348 4.698 4.350 0.000 0.000 0.269 194 E C 0.450 177.035 176.600 -0.024 0.000 1.036 194 E CA -0.267 56.124 56.400 -0.015 0.000 0.876 194 E CB 0.958 30.650 29.700 -0.013 0.000 1.009 194 E HN 0.101 nan 8.360 nan 0.000 0.416 195 A N 4.781 127.586 122.820 -0.026 0.000 2.154 195 A HA -0.143 4.177 4.320 0.000 0.000 0.274 195 A C -1.457 176.105 177.584 -0.036 0.000 1.373 195 A CA 0.205 52.222 52.037 -0.033 0.000 0.751 195 A CB -1.256 17.722 19.000 -0.037 0.000 1.149 195 A HN 0.431 nan 8.150 nan 0.000 0.337 196 P HA -0.105 nan 4.420 nan 0.000 0.219 196 P C 1.016 178.299 177.300 -0.028 0.000 1.146 196 P CA 1.667 64.754 63.100 -0.022 0.000 0.808 196 P CB 0.128 31.819 31.700 -0.016 0.000 0.779 197 E N -0.707 119.466 120.200 -0.046 0.000 2.358 197 E HA -0.096 4.254 4.350 0.000 0.000 0.195 197 E C 1.645 178.210 176.600 -0.058 0.000 1.010 197 E CA 0.717 57.076 56.400 -0.067 0.000 0.856 197 E CB -0.535 29.119 29.700 -0.076 0.000 0.795 197 E HN 0.302 nan 8.360 nan 0.000 0.504 198 E N 0.366 120.535 120.200 -0.052 0.000 2.447 198 E HA 0.073 4.423 4.350 0.000 0.000 0.195 198 E C 0.097 176.651 176.600 -0.076 0.000 1.028 198 E CA 0.020 56.386 56.400 -0.057 0.000 0.876 198 E CB 0.159 29.824 29.700 -0.059 0.000 0.885 198 E HN 0.186 nan 8.360 nan 0.000 0.500 199 R N 2.452 122.908 120.500 -0.072 0.000 2.585 199 R HA 0.032 4.372 4.340 0.000 0.000 0.275 199 R C -2.142 174.087 176.300 -0.118 0.000 1.018 199 R CA -0.745 55.281 56.100 -0.123 0.000 1.072 199 R CB -0.125 30.129 30.300 -0.077 0.000 0.953 199 R HN -0.016 nan 8.270 nan 0.000 0.419 200 P HA 0.044 nan 4.420 nan 0.000 0.278 200 P C -1.071 176.157 177.300 -0.120 0.000 1.238 200 P CA -0.477 62.501 63.100 -0.203 0.000 0.794 200 P CB 0.859 32.205 31.700 -0.590 0.000 0.955 201 L N 2.543 123.782 121.223 0.027 0.000 2.289 201 L HA 0.665 5.005 4.340 0.000 0.000 0.285 201 L C -0.659 176.266 176.870 0.092 0.000 1.049 201 L CA -0.566 54.219 54.840 -0.092 0.000 0.804 201 L CB 0.671 42.519 42.059 -0.352 0.000 1.195 201 L HN 0.455 nan 8.230 nan 0.000 0.428 202 A N 6.812 129.660 122.820 0.046 0.000 2.311 202 A HA 0.671 4.991 4.320 0.000 0.000 0.306 202 A C -0.692 176.969 177.584 0.129 0.000 1.189 202 A CA -0.448 51.675 52.037 0.144 0.000 0.791 202 A CB 0.268 19.404 19.000 0.228 0.000 1.172 202 A HN 0.704 nan 8.150 nan 0.000 0.481 203 I N 2.950 123.596 120.570 0.127 0.000 2.331 203 I HA 0.274 4.444 4.170 0.000 0.000 0.292 203 I C -1.003 175.204 176.117 0.150 0.000 0.998 203 I CA -0.576 60.813 61.300 0.149 0.000 1.267 203 I CB 1.403 39.515 38.000 0.186 0.000 1.386 203 I HN 0.411 nan 8.210 nan 0.000 0.476 204 L N 7.516 128.840 121.223 0.168 0.000 2.305 204 L HA 0.484 4.824 4.340 0.000 0.000 0.284 204 L C -0.028 176.971 176.870 0.215 0.000 1.013 204 L CA -0.116 54.806 54.840 0.136 0.000 0.819 204 L CB 1.361 43.459 42.059 0.065 0.000 1.227 204 L HN 0.427 nan 8.230 nan 0.000 0.417 205 L N 2.499 123.844 121.223 0.203 0.000 2.468 205 L HA 0.333 4.673 4.340 0.000 0.000 0.254 205 L C 0.443 177.467 176.870 0.256 0.000 1.171 205 L CA -0.618 54.347 54.840 0.207 0.000 0.809 205 L CB 0.237 42.379 42.059 0.138 0.000 1.155 205 L HN 0.633 nan 8.230 nan 0.000 0.473 206 D N 1.030 121.539 120.400 0.183 0.000 2.751 206 D HA -0.177 4.463 4.640 0.000 0.000 0.233 206 D C 1.276 177.713 176.300 0.228 0.000 1.149 206 D CA 0.890 54.984 54.000 0.156 0.000 0.682 206 D CB -0.774 40.066 40.800 0.068 0.000 1.068 206 D HN 0.980 nan 8.370 nan 0.000 0.429 207 G N 1.118 110.096 108.800 0.297 0.000 2.469 207 G HA2 -0.374 3.587 3.960 0.000 0.000 0.220 207 G HA3 -0.374 3.587 3.960 0.000 0.000 0.220 207 G C 1.597 176.502 174.900 0.008 0.000 1.136 207 G CA 1.415 46.690 45.100 0.292 0.000 0.759 207 G HN 0.482 nan 8.290 nan 0.000 0.562 208 Q N 0.016 119.874 119.800 0.097 0.000 2.112 208 Q HA -0.185 4.155 4.340 0.000 0.000 0.206 208 Q C 2.269 178.144 176.000 -0.208 0.000 0.987 208 Q CA 1.596 57.359 55.803 -0.067 0.000 0.858 208 Q CB -1.011 27.833 28.738 0.177 0.000 0.905 208 Q HN 0.478 nan 8.270 nan 0.000 0.420 209 F N 0.121 119.878 119.950 -0.321 0.000 2.146 209 F HA -0.058 4.469 4.527 0.000 0.000 0.298 209 F C 1.463 176.905 175.800 -0.598 0.000 1.096 209 F CA 1.232 58.927 58.000 -0.507 0.000 1.275 209 F CB -0.239 38.324 39.000 -0.729 0.000 1.008 209 F HN 0.048 nan 8.300 nan 0.000 0.480 210 W N -0.640 120.614 121.300 -0.076 0.000 2.937 210 W HA 0.202 4.862 4.660 0.000 0.000 0.245 210 W C 2.007 178.138 176.519 -0.647 0.000 1.306 210 W CA 0.536 57.721 57.345 -0.266 0.000 1.470 210 W CB -0.277 29.078 29.460 -0.174 0.000 1.132 210 W HN 0.049 nan 8.180 nan 0.000 0.675 211 A N -0.381 122.104 122.820 -0.557 0.000 2.167 211 A HA 0.128 4.448 4.320 0.000 0.000 0.208 211 A C 1.620 178.931 177.584 -0.454 0.000 1.198 211 A CA 0.605 52.197 52.037 -0.741 0.000 0.863 211 A CB 0.177 18.358 19.000 -1.366 0.000 0.904 211 A HN 0.240 nan 8.150 nan 0.000 0.484 212 E N -0.361 119.575 120.200 -0.439 0.000 2.756 212 E HA 0.080 4.430 4.350 0.000 0.000 0.192 212 E C -0.139 176.263 176.600 -0.330 0.000 1.022 212 E CA -0.336 55.897 56.400 -0.279 0.000 1.224 212 E CB -0.052 29.529 29.700 -0.198 0.000 1.252 212 E HN 0.413 nan 8.360 nan 0.000 0.494 216 V N 1.367 120.929 119.914 -0.588 0.000 3.506 216 V HA 0.015 4.135 4.120 0.000 0.000 0.263 216 V C 1.036 176.753 176.094 -0.628 0.000 1.203 216 V CA 0.526 62.481 62.300 -0.576 0.000 1.133 216 V CB -0.361 31.183 31.823 -0.464 0.000 0.802 216 V HN 0.663 nan 8.190 nan 0.000 0.459 217 W N 1.152 122.287 121.300 -0.274 0.000 2.315 217 W HA -0.113 4.547 4.660 0.000 0.000 0.323 217 W C 0.047 176.376 176.519 -0.316 0.000 1.233 217 W CA 1.528 58.712 57.345 -0.269 0.000 1.267 217 W CB -2.352 27.013 29.460 -0.158 0.000 1.160 217 W HN 0.286 nan 8.180 nan 0.000 0.474 218 P HA -0.218 nan 4.420 nan 0.000 0.215 218 P C 1.627 178.731 177.300 -0.327 0.000 1.153 218 P CA 2.985 65.985 63.100 -0.166 0.000 0.853 218 P CB -0.430 31.185 31.700 -0.141 0.000 0.788 219 A N -0.579 121.880 122.820 -0.602 0.000 1.877 219 A HA -0.170 4.150 4.320 0.000 0.000 0.216 219 A C 2.237 179.505 177.584 -0.528 0.000 1.186 219 A CA 1.534 53.110 52.037 -0.769 0.000 0.620 219 A CB -1.688 16.330 19.000 -1.638 0.000 0.822 219 A HN 0.108 nan 8.150 nan 0.000 0.443 220 L N -0.827 120.101 121.223 -0.492 0.000 2.046 220 L HA -0.189 4.151 4.340 0.000 0.000 0.208 220 L C 3.093 179.777 176.870 -0.311 0.000 1.077 220 L CA 1.047 55.660 54.840 -0.377 0.000 0.747 220 L CB -0.616 41.143 42.059 -0.500 0.000 0.896 220 L HN 0.442 nan 8.230 nan 0.000 0.432 221 A N -0.757 121.873 122.820 -0.317 0.000 1.877 221 A HA -0.236 4.084 4.320 0.000 0.000 0.216 221 A C 2.558 179.721 177.584 -0.701 0.000 1.186 221 A CA 2.055 53.809 52.037 -0.471 0.000 0.620 221 A CB -0.749 18.117 19.000 -0.224 0.000 0.822 221 A HN 0.358 nan 8.150 nan 0.000 0.443 222 S N -0.342 115.167 115.700 -0.319 0.000 2.353 222 S HA -0.135 4.335 4.470 0.000 0.000 0.222 222 S C 1.964 176.453 174.600 -0.185 0.000 1.035 222 S CA 1.606 59.711 58.200 -0.159 0.000 1.025 222 S CB -0.529 62.594 63.200 -0.129 0.000 0.902 222 S HN 0.481 nan 8.310 nan 0.000 0.440 223 L N 0.663 121.763 121.223 -0.204 0.000 2.083 223 L HA -0.108 4.232 4.340 0.000 0.000 0.209 223 L C 2.756 179.549 176.870 -0.128 0.000 1.083 223 L CA 1.628 56.389 54.840 -0.131 0.000 0.752 223 L CB -1.147 40.847 42.059 -0.109 0.000 0.899 223 L HN 0.373 nan 8.230 nan 0.000 0.433 224 T N -1.822 112.592 114.554 -0.234 0.000 2.777 224 T HA -0.186 4.164 4.350 0.000 0.000 0.266 224 T C 1.661 176.274 174.700 -0.145 0.000 1.040 224 T CA 1.485 63.465 62.100 -0.201 0.000 1.141 224 T CB -0.379 68.337 68.868 -0.253 0.000 0.868 224 T HN 0.500 nan 8.240 nan 0.000 0.444 225 H N 1.129 120.187 119.070 -0.020 0.000 2.423 225 H HA 0.043 4.599 4.556 0.000 0.000 0.297 225 H C 2.285 177.623 175.328 0.015 0.000 1.075 225 H CA 0.813 56.869 56.048 0.013 0.000 1.342 225 H CB -0.040 29.710 29.762 -0.018 0.000 1.395 225 H HN 0.386 nan 8.280 nan 0.000 0.530 226 Q N 0.536 120.375 119.800 0.066 0.000 2.444 226 Q HA 0.038 4.378 4.340 0.000 0.000 0.206 226 Q C 0.085 176.103 176.000 0.030 0.000 0.948 226 Q CA -0.083 55.746 55.803 0.043 0.000 0.946 226 Q CB 0.581 29.329 28.738 0.015 0.000 1.027 226 Q HN 0.257 nan 8.270 nan 0.000 0.513 227 R N -0.549 119.966 120.500 0.025 0.000 3.531 227 R HA -0.189 4.151 4.340 0.000 0.000 0.280 227 R C 0.236 176.545 176.300 0.015 0.000 1.130 227 R CA 0.534 56.646 56.100 0.020 0.000 0.757 227 R CB -2.508 27.809 30.300 0.027 0.000 1.218 227 R HN 0.358 nan 8.270 nan 0.000 0.454 228 L N -0.615 120.613 121.223 0.009 0.000 2.616 228 L HA 0.299 4.639 4.340 0.000 0.000 0.229 228 L C 0.750 177.648 176.870 0.046 0.000 1.110 228 L CA 0.431 55.282 54.840 0.019 0.000 0.884 228 L CB 0.308 42.370 42.059 0.004 0.000 1.115 228 L HN 0.032 nan 8.230 nan 0.000 0.481 229 L N 0.041 121.291 121.223 0.044 0.000 2.409 229 L HA 0.503 4.843 4.340 0.000 0.000 0.262 229 L C -2.555 174.314 176.870 -0.001 0.000 0.992 229 L CA -1.757 53.142 54.840 0.098 0.000 0.817 229 L CB 2.858 45.018 42.059 0.167 0.000 1.350 229 L HN -0.261 nan 8.230 nan 0.000 0.411 230 P HA 0.167 nan 4.420 nan 0.000 0.279 230 P C -0.217 176.956 177.300 -0.211 0.000 1.252 230 P CA -0.308 62.677 63.100 -0.192 0.000 0.811 230 P CB 0.851 32.347 31.700 -0.340 0.000 1.035 231 G N 0.342 109.054 108.800 -0.147 0.000 2.305 231 G HA2 0.410 4.370 3.960 0.000 0.000 0.243 231 G HA3 0.410 4.370 3.960 0.000 0.000 0.243 231 G C -0.268 174.499 174.900 -0.222 0.000 1.288 231 G CA 0.283 45.319 45.100 -0.106 0.000 0.901 231 G HN 0.736 nan 8.290 nan 0.000 0.516 232 A N 1.422 124.115 122.820 -0.213 0.000 2.583 232 A HA 0.768 5.088 4.320 0.000 0.000 0.289 232 A C -1.060 176.339 177.584 -0.308 0.000 1.151 232 A CA -0.545 51.254 52.037 -0.396 0.000 0.695 232 A CB 1.617 20.159 19.000 -0.763 0.000 1.290 232 A HN 1.134 nan 8.150 nan 0.000 0.419 233 V N 1.036 120.737 119.914 -0.356 0.000 2.357 233 V HA 0.421 4.541 4.120 0.000 0.000 0.284 233 V C -1.478 174.429 176.094 -0.310 0.000 1.018 233 V CA -0.240 61.939 62.300 -0.201 0.000 0.841 233 V CB 0.538 32.301 31.823 -0.100 0.000 0.991 233 V HN 0.664 nan 8.190 nan 0.000 0.437 234 Y N 4.958 125.321 120.300 0.105 0.000 2.328 234 Y HA 0.634 5.185 4.550 0.000 0.000 0.337 234 Y C -0.137 175.854 175.900 0.151 0.000 1.008 234 Y CA -0.818 57.372 58.100 0.150 0.000 1.129 234 Y CB 1.719 40.308 38.460 0.214 0.000 1.185 234 Y HN 0.512 nan 8.280 nan 0.000 0.476 235 L N 5.366 126.735 121.223 0.243 0.000 2.318 235 L HA 0.539 4.879 4.340 0.000 0.000 0.277 235 L C -1.784 175.242 176.870 0.260 0.000 1.008 235 L CA -0.750 54.203 54.840 0.188 0.000 0.846 235 L CB 0.450 42.522 42.059 0.023 0.000 1.220 235 L HN 0.458 nan 8.230 nan 0.000 0.423 236 L N 6.353 127.804 121.223 0.379 0.000 2.275 236 L HA 0.499 4.839 4.340 0.000 0.000 0.288 236 L C -0.197 176.956 176.870 0.472 0.000 1.046 236 L CA 0.143 55.236 54.840 0.422 0.000 0.805 236 L CB 1.271 43.609 42.059 0.465 0.000 1.193 236 L HN 0.464 nan 8.230 nan 0.000 0.426 237 I N 2.385 123.187 120.570 0.386 0.000 2.378 237 I HA 0.243 4.413 4.170 0.000 0.000 0.291 237 I C -0.181 176.180 176.117 0.406 0.000 0.992 237 I CA -0.862 60.661 61.300 0.371 0.000 1.154 237 I CB 1.691 39.879 38.000 0.312 0.000 1.315 237 I HN 0.475 nan 8.210 nan 0.000 0.448 238 D N 4.815 125.468 120.400 0.421 0.000 2.390 238 D HA 0.191 4.831 4.640 0.000 0.000 0.249 238 D C 0.719 177.149 176.300 0.216 0.000 1.144 238 D CA 0.040 54.262 54.000 0.371 0.000 0.880 238 D CB 1.832 42.816 40.800 0.307 0.000 1.182 238 D HN 0.667 nan 8.370 nan 0.000 0.451 239 A N 4.041 126.955 122.820 0.156 0.000 2.218 239 A HA 0.154 4.474 4.320 0.000 0.000 0.209 239 A C 1.831 179.435 177.584 0.033 0.000 1.168 239 A CA 0.529 52.607 52.037 0.068 0.000 0.804 239 A CB -0.553 18.471 19.000 0.042 0.000 0.834 239 A HN 0.826 nan 8.150 nan 0.000 0.482 240 I N -1.844 118.745 120.570 0.031 0.000 4.713 240 I HA -0.426 3.744 4.170 0.000 0.000 0.044 240 I C 0.232 176.349 176.117 0.000 0.000 0.627 240 I CA 2.028 63.298 61.300 -0.051 0.000 0.714 240 I CB -1.391 36.439 38.000 -0.284 0.000 0.668 240 I HN 0.647 nan 8.210 nan 0.000 0.156 241 D N -1.684 118.742 120.400 0.044 0.000 2.692 241 D HA 0.328 4.968 4.640 0.000 0.000 0.290 241 D C 0.183 176.553 176.300 0.117 0.000 1.281 241 D CA 0.087 54.142 54.000 0.093 0.000 0.804 241 D CB 0.667 41.535 40.800 0.112 0.000 1.331 241 D HN 0.041 nan 8.370 nan 0.000 0.432 242 T N -0.584 114.032 114.554 0.104 0.000 2.720 242 T HA -0.226 4.124 4.350 0.000 0.000 0.268 242 T C 1.582 176.334 174.700 0.088 0.000 1.037 242 T CA 2.126 64.287 62.100 0.102 0.000 1.144 242 T CB -0.296 68.630 68.868 0.097 0.000 0.864 242 T HN 0.547 nan 8.240 nan 0.000 0.444 243 Q N -0.035 119.813 119.800 0.080 0.000 2.030 243 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 243 Q C 2.150 178.120 176.000 -0.050 0.000 0.986 243 Q CA 1.898 57.706 55.803 0.009 0.000 0.843 243 Q CB -0.153 28.576 28.738 -0.016 0.000 0.904 243 Q HN 0.672 nan 8.270 nan 0.000 0.420 244 H N -0.485 118.567 119.070 -0.031 0.000 2.321 244 H HA -0.066 4.490 4.556 0.000 0.000 0.300 244 H C 2.139 177.400 175.328 -0.112 0.000 1.087 244 H CA 1.814 57.825 56.048 -0.063 0.000 1.319 244 H CB -0.085 29.646 29.762 -0.050 0.000 1.379 244 H HN 0.200 nan 8.280 nan 0.000 0.501 245 R N 0.305 120.829 120.500 0.040 0.000 2.083 245 R HA -0.132 4.208 4.340 0.000 0.000 0.237 245 R C 2.037 178.241 176.300 -0.160 0.000 1.137 245 R CA 1.779 57.846 56.100 -0.056 0.000 0.951 245 R CB -0.140 30.179 30.300 0.033 0.000 0.851 245 R HN 0.212 nan 8.270 nan 0.000 0.434 246 S N 0.376 116.012 115.700 -0.106 0.000 2.447 246 S HA -0.121 4.350 4.470 0.000 0.000 0.233 246 S C 1.645 176.027 174.600 -0.364 0.000 1.006 246 S CA 1.146 59.194 58.200 -0.254 0.000 0.957 246 S CB 0.012 63.201 63.200 -0.019 0.000 0.773 246 S HN 0.468 nan 8.310 nan 0.000 0.507 247 Q N 0.232 119.884 119.800 -0.246 0.000 2.324 247 Q HA 0.114 4.454 4.340 0.000 0.000 0.207 247 Q C 1.832 177.676 176.000 -0.260 0.000 0.928 247 Q CA 0.564 56.236 55.803 -0.218 0.000 0.890 247 Q CB 0.102 28.747 28.738 -0.155 0.000 1.001 247 Q HN 0.547 nan 8.270 nan 0.000 0.517 248 E N 0.373 120.401 120.200 -0.287 0.000 2.190 248 E HA 0.003 4.353 4.350 0.000 0.000 0.191 248 E C 1.810 178.083 176.600 -0.546 0.000 0.978 248 E CA 0.449 56.649 56.400 -0.333 0.000 0.839 248 E CB 0.323 29.846 29.700 -0.295 0.000 0.787 248 E HN 0.243 nan 8.360 nan 0.000 0.473 249 L N 0.714 121.571 121.223 -0.610 0.000 2.209 249 L HA 0.049 4.390 4.340 0.000 0.000 0.207 249 L C -1.373 175.125 176.870 -0.620 0.000 1.094 249 L CA 0.022 54.507 54.840 -0.592 0.000 0.790 249 L CB -0.932 40.861 42.059 -0.444 0.000 0.932 249 L HN -0.124 nan 8.230 nan 0.000 0.447 250 P HA 0.068 nan 4.420 nan 0.000 0.259 250 P C -0.260 176.270 177.300 -1.282 0.000 1.635 250 P CA 0.028 62.300 63.100 -1.379 0.000 1.199 250 P CB -0.410 30.158 31.700 -1.887 0.000 1.850 251 C N 0.922 119.608 119.300 -1.023 0.000 4.056 251 C HA -0.160 4.300 4.460 0.000 0.000 0.302 251 C C 0.755 175.252 174.990 -0.820 0.000 1.356 251 C CA -0.066 58.155 59.018 -1.328 0.000 2.074 251 C CB -2.769 24.435 27.740 -0.892 0.000 1.328 251 C HN 0.574 nan 8.230 nan 0.000 0.684 252 N N 0.252 118.683 118.700 -0.447 0.000 2.501 252 N HA 0.572 5.312 4.740 0.000 0.000 0.245 252 N C 0.701 176.383 175.510 0.287 0.000 0.974 252 N CA 0.284 53.295 53.050 -0.065 0.000 0.941 252 N CB 1.422 39.855 38.487 -0.090 0.000 1.122 252 N HN 0.483 nan 8.380 nan 0.000 0.507 253 A N 3.402 126.494 122.820 0.454 0.000 1.940 253 A HA -0.168 4.152 4.320 0.000 0.000 0.219 253 A C 1.499 179.357 177.584 0.456 0.000 1.176 253 A CA 1.503 53.975 52.037 0.724 0.000 0.631 253 A CB -0.211 19.171 19.000 0.636 0.000 0.814 253 A HN 0.667 nan 8.150 nan 0.000 0.446 254 D N -1.314 119.255 120.400 0.282 0.000 2.178 254 D HA -0.123 4.517 4.640 0.000 0.000 0.201 254 D C 1.511 177.894 176.300 0.139 0.000 0.980 254 D CA 1.067 55.174 54.000 0.178 0.000 0.842 254 D CB -0.377 40.498 40.800 0.124 0.000 0.948 254 D HN 0.504 nan 8.370 nan 0.000 0.472 255 F N -0.435 119.502 119.950 -0.022 0.000 2.102 255 F HA -0.150 4.377 4.527 0.000 0.000 0.298 255 F C 1.811 177.456 175.800 -0.258 0.000 1.105 255 F CA 1.448 59.336 58.000 -0.188 0.000 1.239 255 F CB -0.455 38.318 39.000 -0.380 0.000 0.991 255 F HN -0.020 nan 8.300 nan 0.000 0.474 256 W N 0.278 121.589 121.300 0.018 0.000 2.436 256 W HA -0.004 4.656 4.660 0.000 0.000 0.284 256 W C 2.211 178.476 176.519 -0.424 0.000 1.225 256 W CA 0.641 57.809 57.345 -0.295 0.000 1.271 256 W CB -0.463 28.758 29.460 -0.398 0.000 1.114 256 W HN -0.014 nan 8.180 nan 0.000 0.559 257 L N -0.112 121.043 121.223 -0.113 0.000 2.093 257 L HA -0.150 4.190 4.340 0.000 0.000 0.208 257 L C 2.644 179.491 176.870 -0.037 0.000 1.085 257 L CA 1.207 55.987 54.840 -0.101 0.000 0.755 257 L CB -1.155 40.931 42.059 0.044 0.000 0.904 257 L HN -0.007 nan 8.230 nan 0.000 0.435 258 A N -0.233 122.584 122.820 -0.006 0.000 1.898 258 A HA -0.135 4.185 4.320 0.000 0.000 0.216 258 A C 2.333 179.953 177.584 0.061 0.000 1.181 258 A CA 1.594 53.687 52.037 0.094 0.000 0.620 258 A CB -0.789 18.301 19.000 0.149 0.000 0.819 258 A HN 0.171 nan 8.150 nan 0.000 0.442 259 V N 0.159 119.975 119.914 -0.163 0.000 2.332 259 V HA -0.337 3.783 4.120 0.000 0.000 0.248 259 V C 2.656 178.659 176.094 -0.150 0.000 1.055 259 V CA 2.378 64.471 62.300 -0.345 0.000 1.038 259 V CB -0.919 30.651 31.823 -0.423 0.000 0.651 259 V HN 0.667 nan 8.190 nan 0.000 0.450 260 Q N -0.684 119.091 119.800 -0.041 0.000 2.083 260 Q HA -0.184 4.156 4.340 0.000 0.000 0.198 260 Q C 2.288 178.262 176.000 -0.044 0.000 0.969 260 Q CA 1.380 57.163 55.803 -0.034 0.000 0.838 260 Q CB -0.135 28.550 28.738 -0.089 0.000 0.900 260 Q HN 0.680 nan 8.270 nan 0.000 0.436 261 Q N 0.016 119.799 119.800 -0.028 0.000 2.269 261 Q HA -0.069 4.271 4.340 0.000 0.000 0.201 261 Q C 1.265 177.276 176.000 0.018 0.000 0.946 261 Q CA 0.892 56.696 55.803 0.002 0.000 0.877 261 Q CB 0.408 29.160 28.738 0.023 0.000 0.963 261 Q HN 0.392 nan 8.270 nan 0.000 0.472 262 E N -0.318 119.898 120.200 0.028 0.000 2.288 262 E HA -0.011 4.339 4.350 0.000 0.000 0.200 262 E C 1.566 178.106 176.600 -0.100 0.000 0.880 262 E CA -0.010 56.438 56.400 0.079 0.000 0.971 262 E CB 0.133 30.034 29.700 0.335 0.000 0.954 262 E HN 0.029 nan 8.360 nan 0.000 0.489 263 L N 1.539 122.518 121.223 -0.407 0.000 2.049 263 L HA -0.017 4.323 4.340 0.000 0.000 0.203 263 L C 2.041 178.701 176.870 -0.350 0.000 1.074 263 L CA 1.449 55.830 54.840 -0.766 0.000 0.749 263 L CB -0.314 40.885 42.059 -1.434 0.000 0.907 263 L HN 0.100 nan 8.230 nan 0.000 0.439 264 L N -0.235 120.868 121.223 -0.200 0.000 2.042 264 L HA -0.165 4.175 4.340 0.000 0.000 0.210 264 L C -0.172 176.755 176.870 0.094 0.000 1.076 264 L CA 1.315 56.158 54.840 0.004 0.000 0.749 264 L CB -2.213 39.903 42.059 0.095 0.000 0.893 264 L HN 0.272 nan 8.230 nan 0.000 0.432 265 P HA -0.172 nan 4.420 nan 0.000 0.216 265 P C 1.603 178.912 177.300 0.014 0.000 1.153 265 P CA 1.268 64.377 63.100 0.014 0.000 0.848 265 P CB 0.005 31.703 31.700 -0.003 0.000 0.787 266 Q N -0.681 119.109 119.800 -0.016 0.000 2.124 266 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 266 Q C 2.067 178.072 176.000 0.008 0.000 0.977 266 Q CA 1.301 57.097 55.803 -0.012 0.000 0.850 266 Q CB -0.665 28.052 28.738 -0.035 0.000 0.901 266 Q HN 0.115 nan 8.270 nan 0.000 0.429 267 V N 0.822 120.745 119.914 0.014 0.000 2.358 267 V HA -0.257 3.863 4.120 0.000 0.000 0.246 267 V C 2.302 178.524 176.094 0.214 0.000 1.047 267 V CA 1.763 64.108 62.300 0.074 0.000 1.035 267 V CB -0.620 31.205 31.823 0.004 0.000 0.658 267 V HN 0.323 nan 8.190 nan 0.000 0.452 268 R N 0.236 120.904 120.500 0.279 0.000 2.127 268 R HA -0.176 4.164 4.340 0.000 0.000 0.238 268 R C 2.226 178.540 176.300 0.023 0.000 1.134 268 R CA 1.630 57.799 56.100 0.116 0.000 0.975 268 R CB -0.333 29.917 30.300 -0.085 0.000 0.865 268 R HN 0.516 nan 8.270 nan 0.000 0.447 269 A N -0.099 122.737 122.820 0.026 0.000 1.968 269 A HA -0.049 4.271 4.320 0.000 0.000 0.217 269 A C 2.152 179.746 177.584 0.016 0.000 1.169 269 A CA 1.130 53.170 52.037 0.006 0.000 0.638 269 A CB -0.128 18.876 19.000 0.006 0.000 0.812 269 A HN 0.207 nan 8.150 nan 0.000 0.446 270 V N -1.329 118.606 119.914 0.034 0.000 2.346 270 V HA 0.041 4.161 4.120 0.000 0.000 0.244 270 V C 1.240 177.358 176.094 0.041 0.000 1.037 270 V CA 1.884 64.203 62.300 0.032 0.000 1.029 270 V CB -0.201 31.642 31.823 0.032 0.000 0.663 270 V HN 0.545 nan 8.190 nan 0.000 0.454 271 T N -0.214 114.384 114.554 0.075 0.000 3.105 271 T HA 0.431 4.781 4.350 0.000 0.000 0.321 271 T C -3.050 171.727 174.700 0.129 0.000 1.135 271 T CA -1.259 60.891 62.100 0.082 0.000 1.053 271 T CB 2.083 71.002 68.868 0.086 0.000 1.133 271 T HN -0.067 nan 8.240 nan 0.000 0.463 272 P HA 0.517 nan 4.420 nan 0.000 0.272 272 P C -1.129 176.223 177.300 0.086 0.000 1.223 272 P CA -0.092 62.985 63.100 -0.038 0.000 0.784 272 P CB 0.168 31.825 31.700 -0.070 0.000 0.923 273 F N -2.232 117.688 119.950 -0.051 0.000 2.678 273 F HA 0.554 5.081 4.527 0.000 0.000 0.308 273 F C -0.357 175.408 175.800 -0.058 0.000 1.118 273 F CA -1.354 56.609 58.000 -0.061 0.000 0.959 273 F CB 0.565 39.532 39.000 -0.055 0.000 1.305 273 F HN 0.142 nan 8.300 nan 0.000 0.443 274 S N 0.475 116.242 115.700 0.111 0.000 2.568 274 S HA 0.108 4.578 4.470 0.000 0.000 0.282 274 S C 0.359 174.995 174.600 0.060 0.000 1.338 274 S CA -0.076 58.140 58.200 0.027 0.000 1.045 274 S CB 0.275 63.492 63.200 0.028 0.000 0.873 274 S HN 0.694 nan 8.310 nan 0.000 0.516 275 D N 1.596 121.980 120.400 -0.027 0.000 2.349 275 D HA 0.120 4.760 4.640 0.000 0.000 0.214 275 D C -0.243 176.056 176.300 -0.003 0.000 1.063 275 D CA 0.124 54.109 54.000 -0.025 0.000 0.847 275 D CB -0.048 40.707 40.800 -0.076 0.000 0.933 275 D HN 0.616 nan 8.370 nan 0.000 0.513 276 D N 0.225 120.634 120.400 0.015 0.000 2.358 276 D HA 0.184 4.824 4.640 0.000 0.000 0.258 276 D C 1.207 177.533 176.300 0.043 0.000 1.223 276 D CA -0.170 53.843 54.000 0.022 0.000 0.886 276 D CB 1.205 42.020 40.800 0.024 0.000 1.120 276 D HN -0.041 nan 8.370 nan 0.000 0.482 277 A N 3.524 126.359 122.820 0.026 0.000 1.933 277 A HA -0.011 4.309 4.320 0.000 0.000 0.218 277 A C 2.038 179.668 177.584 0.077 0.000 1.175 277 A CA 1.409 53.466 52.037 0.034 0.000 0.628 277 A CB -0.773 18.233 19.000 0.010 0.000 0.814 277 A HN 0.651 nan 8.150 nan 0.000 0.444 278 G N -1.351 107.492 108.800 0.073 0.000 2.653 278 G HA2 -0.081 3.879 3.960 0.000 0.000 0.212 278 G HA3 -0.081 3.879 3.960 0.000 0.000 0.212 278 G C 1.391 176.380 174.900 0.148 0.000 1.138 278 G CA 0.834 45.990 45.100 0.094 0.000 0.782 278 G HN 0.544 nan 8.290 nan 0.000 0.535 279 R N -0.911 119.692 120.500 0.172 0.000 2.521 279 R HA 0.109 4.449 4.340 0.000 0.000 0.289 279 R C -0.231 176.297 176.300 0.380 0.000 0.936 279 R CA 0.087 56.351 56.100 0.273 0.000 1.089 279 R CB 0.683 31.063 30.300 0.133 0.000 1.348 279 R HN 0.170 nan 8.270 nan 0.000 0.536 280 T N 1.272 115.977 114.554 0.251 0.000 2.771 280 T HA 0.372 4.722 4.350 0.000 0.000 0.291 280 T C -0.613 174.227 174.700 0.233 0.000 0.954 280 T CA -0.259 61.990 62.100 0.248 0.000 1.045 280 T CB 2.080 71.050 68.868 0.169 0.000 0.917 280 T HN -0.164 nan 8.240 nan 0.000 0.484 281 V N 4.125 124.162 119.914 0.205 0.000 2.581 281 V HA 0.636 4.756 4.120 0.000 0.000 0.303 281 V C -0.125 176.012 176.094 0.073 0.000 1.041 281 V CA -0.872 61.463 62.300 0.058 0.000 0.907 281 V CB 1.904 33.627 31.823 -0.167 0.000 0.994 281 V HN 0.796 nan 8.190 nan 0.000 0.442 282 V N 1.490 121.403 119.914 -0.002 0.000 2.444 282 V HA 1.004 5.124 4.120 0.000 0.000 0.294 282 V C -0.164 175.909 176.094 -0.035 0.000 1.022 282 V CA -0.711 61.573 62.300 -0.027 0.000 0.850 282 V CB 1.231 32.907 31.823 -0.246 0.000 0.992 282 V HN 1.078 nan 8.190 nan 0.000 0.426 283 A N 3.349 126.163 122.820 -0.008 0.000 2.356 283 A HA 1.067 5.388 4.320 0.000 0.000 0.310 283 A C 0.084 177.649 177.584 -0.033 0.000 1.075 283 A CA -0.025 51.973 52.037 -0.064 0.000 0.746 283 A CB 1.680 20.599 19.000 -0.135 0.000 1.221 283 A HN 1.979 nan 8.150 nan 0.000 0.443 284 G N 0.455 109.209 108.800 -0.076 0.000 2.660 284 G HA2 0.582 4.542 3.960 0.000 0.000 0.290 284 G HA3 0.582 4.542 3.960 0.000 0.000 0.290 284 G C -1.812 172.939 174.900 -0.248 0.000 1.432 284 G CA -0.580 44.468 45.100 -0.087 0.000 0.807 284 G HN 0.706 nan 8.290 nan 0.000 0.485 285 Q N -0.034 119.553 119.800 -0.356 0.000 2.387 285 Q HA 0.779 5.119 4.340 0.000 0.000 0.273 285 Q C 0.597 176.239 176.000 -0.596 0.000 1.089 285 Q CA 0.155 55.495 55.803 -0.773 0.000 0.824 285 Q CB 1.916 29.777 28.738 -1.463 0.000 1.367 285 Q HN 1.245 nan 8.270 nan 0.000 0.443 286 S N 0.458 115.806 115.700 -0.587 0.000 4.059 286 S HA -0.313 4.157 4.470 0.000 0.000 0.624 286 S C 0.948 175.367 174.600 -0.301 0.000 2.019 286 S CA 1.553 59.573 58.200 -0.300 0.000 4.197 286 S CB -1.249 61.846 63.200 -0.175 0.000 0.215 286 S HN 0.613 nan 8.310 nan 0.000 0.609 287 F N 2.606 122.432 119.950 -0.207 0.000 2.250 287 F HA 0.095 4.622 4.527 0.000 0.000 0.301 287 F C 2.540 178.153 175.800 -0.311 0.000 1.077 287 F CA 1.421 59.227 58.000 -0.323 0.000 1.348 287 F CB -1.255 37.571 39.000 -0.289 0.000 1.040 287 F HN 0.553 nan 8.300 nan 0.000 0.509 288 G N -0.369 108.386 108.800 -0.076 0.000 2.422 288 G HA2 -0.145 3.815 3.960 0.000 0.000 0.218 288 G HA3 -0.145 3.815 3.960 0.000 0.000 0.218 288 G C 2.074 176.921 174.900 -0.088 0.000 1.146 288 G CA 0.830 45.885 45.100 -0.075 0.000 0.769 288 G HN 0.507 nan 8.290 nan 0.000 0.547 289 G N 0.828 109.510 108.800 -0.196 0.000 2.404 289 G HA2 -0.086 3.875 3.960 0.000 0.000 0.215 289 G HA3 -0.086 3.875 3.960 0.000 0.000 0.215 289 G C 1.723 176.523 174.900 -0.168 0.000 1.174 289 G CA 0.988 45.986 45.100 -0.169 0.000 0.780 289 G HN 0.396 nan 8.290 nan 0.000 0.537 290 L N 1.214 122.164 121.223 -0.454 0.000 2.012 290 L HA -0.038 4.302 4.340 0.000 0.000 0.210 290 L C 2.740 179.571 176.870 -0.065 0.000 1.073 290 L CA 2.724 57.248 54.840 -0.527 0.000 0.748 290 L CB -1.036 40.668 42.059 -0.592 0.000 0.891 290 L HN 0.207 nan 8.230 nan 0.000 0.431 291 S N -1.054 114.624 115.700 -0.036 0.000 2.399 291 S HA -0.107 4.363 4.470 0.000 0.000 0.231 291 S C 2.095 176.860 174.600 0.274 0.000 1.022 291 S CA 1.063 59.382 58.200 0.198 0.000 0.983 291 S CB -0.442 62.886 63.200 0.213 0.000 0.803 291 S HN 0.710 nan 8.310 nan 0.000 0.480 292 A N 1.121 124.030 122.820 0.148 0.000 1.877 292 A HA -0.018 4.302 4.320 0.000 0.000 0.216 292 A C 2.088 179.645 177.584 -0.046 0.000 1.186 292 A CA 1.594 53.639 52.037 0.012 0.000 0.620 292 A CB -0.825 18.188 19.000 0.023 0.000 0.822 292 A HN 0.539 nan 8.150 nan 0.000 0.443 293 L N -1.704 119.580 121.223 0.103 0.000 2.156 293 L HA -0.061 4.279 4.340 0.000 0.000 0.208 293 L C 2.228 179.142 176.870 0.074 0.000 1.095 293 L CA 1.990 56.897 54.840 0.112 0.000 0.770 293 L CB -0.879 41.331 42.059 0.252 0.000 0.914 293 L HN 0.541 nan 8.230 nan 0.000 0.439 294 Y N -0.057 120.247 120.300 0.008 0.000 2.224 294 Y HA -0.230 4.320 4.550 0.000 0.000 0.289 294 Y C 2.303 178.138 175.900 -0.109 0.000 1.146 294 Y CA 1.852 59.942 58.100 -0.017 0.000 1.182 294 Y CB -0.268 38.222 38.460 0.050 0.000 0.983 294 Y HN 0.233 nan 8.280 nan 0.000 0.524 295 A N 0.104 122.754 122.820 -0.282 0.000 1.873 295 A HA -0.045 4.275 4.320 0.000 0.000 0.215 295 A C 2.450 179.962 177.584 -0.121 0.000 1.186 295 A CA 1.542 53.289 52.037 -0.483 0.000 0.616 295 A CB -1.667 16.320 19.000 -1.689 0.000 0.823 295 A HN 0.570 nan 8.150 nan 0.000 0.442 296 G N -0.312 108.402 108.800 -0.143 0.000 2.422 296 G HA2 -0.125 3.835 3.960 0.000 0.000 0.218 296 G HA3 -0.125 3.835 3.960 0.000 0.000 0.218 296 G C 1.535 176.398 174.900 -0.062 0.000 1.146 296 G CA 1.013 46.107 45.100 -0.009 0.000 0.769 296 G HN 0.420 nan 8.290 nan 0.000 0.547 297 L N 0.158 121.289 121.223 -0.154 0.000 2.109 297 L HA 0.015 4.355 4.340 0.000 0.000 0.207 297 L C 2.522 179.187 176.870 -0.341 0.000 1.086 297 L CA 0.806 55.523 54.840 -0.204 0.000 0.760 297 L CB -0.224 41.723 42.059 -0.187 0.000 0.910 297 L HN 0.223 nan 8.230 nan 0.000 0.437 298 N N -1.493 116.855 118.700 -0.587 0.000 2.409 298 N HA -0.044 4.696 4.740 0.000 0.000 0.174 298 N C 0.150 175.078 175.510 -0.970 0.000 1.037 298 N CA 0.660 53.105 53.050 -1.008 0.000 0.898 298 N CB 0.463 37.815 38.487 -1.893 0.000 1.010 298 N HN 0.325 nan 8.380 nan 0.000 0.445 299 W N 2.021 123.274 121.300 -0.079 0.000 1.683 299 W HA 0.309 4.969 4.660 0.000 0.000 0.295 299 W C -2.108 174.410 176.519 -0.001 0.000 0.865 299 W CA -1.168 56.176 57.345 -0.002 0.000 2.079 299 W CB 0.468 29.989 29.460 0.101 0.000 2.263 299 W HN -0.011 nan 8.180 nan 0.000 0.427 300 P HA -0.135 nan 4.420 nan 0.000 0.226 300 P C 1.625 178.947 177.300 0.037 0.000 1.153 300 P CA 1.702 64.833 63.100 0.052 0.000 0.777 300 P CB -0.111 31.586 31.700 -0.004 0.000 0.794 301 T N -3.890 110.684 114.554 0.034 0.000 3.118 301 T HA 0.050 4.400 4.350 0.000 0.000 0.260 301 T C 1.884 176.555 174.700 -0.049 0.000 1.139 301 T CA 0.502 62.604 62.100 0.002 0.000 1.085 301 T CB -0.150 68.726 68.868 0.013 0.000 0.934 301 T HN 0.026 nan 8.240 nan 0.000 0.518 302 R N 0.008 120.441 120.500 -0.111 0.000 2.302 302 R HA 0.410 4.750 4.340 0.000 0.000 0.187 302 R C -0.752 175.275 176.300 -0.456 0.000 0.904 302 R CA 0.025 55.901 56.100 -0.373 0.000 1.105 302 R CB 0.155 30.069 30.300 -0.642 0.000 1.239 302 R HN 0.371 nan 8.270 nan 0.000 0.620 303 F N 0.422 120.401 119.950 0.048 0.000 2.311 303 F HA 0.487 5.014 4.527 0.000 0.000 0.371 303 F C 1.119 176.919 175.800 -0.000 0.000 1.083 303 F CA -0.739 57.264 58.000 0.005 0.000 1.113 303 F CB 1.900 40.858 39.000 -0.070 0.000 1.349 303 F HN 0.220 nan 8.300 nan 0.000 0.470 304 G N 0.677 109.569 108.800 0.154 0.000 2.921 304 G HA2 0.094 4.055 3.960 0.000 0.000 0.213 304 G HA3 0.094 4.055 3.960 0.000 0.000 0.213 304 G C -0.302 174.647 174.900 0.081 0.000 1.143 304 G CA 0.163 45.320 45.100 0.096 0.000 0.764 304 G HN 0.572 nan 8.290 nan 0.000 0.542 305 C N 1.244 120.595 119.300 0.085 0.000 2.301 305 C HA 0.682 5.142 4.460 0.000 0.000 0.323 305 C C -0.083 174.903 174.990 -0.008 0.000 1.265 305 C CA -0.931 58.102 59.018 0.025 0.000 1.503 305 C CB 0.640 28.366 27.740 -0.024 0.000 2.195 305 C HN 0.060 nan 8.230 nan 0.000 0.477 306 V N 4.837 124.742 119.914 -0.015 0.000 2.459 306 V HA 0.547 4.667 4.120 0.000 0.000 0.295 306 V C -0.454 175.616 176.094 -0.040 0.000 1.029 306 V CA -0.464 61.819 62.300 -0.028 0.000 0.874 306 V CB 1.685 33.507 31.823 -0.002 0.000 0.985 306 V HN 0.628 nan 8.190 nan 0.000 0.438 307 L N 4.903 126.086 121.223 -0.067 0.000 2.401 307 L HA 0.615 4.955 4.340 0.000 0.000 0.263 307 L C -0.173 176.654 176.870 -0.071 0.000 1.004 307 L CA 0.228 55.014 54.840 -0.091 0.000 0.881 307 L CB 1.420 43.381 42.059 -0.163 0.000 1.219 307 L HN 0.640 nan 8.230 nan 0.000 0.441 308 S N 4.485 120.173 115.700 -0.020 0.000 2.437 308 S HA 0.654 5.124 4.470 0.000 0.000 0.305 308 S C -0.751 173.811 174.600 -0.063 0.000 1.109 308 S CA -0.452 57.750 58.200 0.003 0.000 1.099 308 S CB 0.704 64.031 63.200 0.210 0.000 1.004 308 S HN 0.702 nan 8.310 nan 0.000 0.475 309 Q N 2.847 122.525 119.800 -0.203 0.000 2.330 309 Q HA 0.432 4.772 4.340 0.000 0.000 0.269 309 Q C -0.140 175.657 176.000 -0.339 0.000 1.022 309 Q CA -0.798 54.834 55.803 -0.286 0.000 0.796 309 Q CB 1.753 30.205 28.738 -0.476 0.000 1.271 309 Q HN 0.810 nan 8.270 nan 0.000 0.450 310 S N 0.924 116.578 115.700 -0.076 0.000 3.549 310 S HA -0.183 4.287 4.470 0.000 0.000 0.366 310 S C 0.504 175.100 174.600 -0.007 0.000 1.012 310 S CA 0.409 58.655 58.200 0.076 0.000 1.141 310 S CB -1.215 62.126 63.200 0.234 0.000 0.910 310 S HN 0.920 nan 8.310 nan 0.000 0.471 311 G N 0.803 109.587 108.800 -0.026 0.000 2.380 311 G HA2 0.347 4.307 3.960 0.000 0.000 0.242 311 G HA3 0.347 4.307 3.960 0.000 0.000 0.242 311 G C 0.206 174.828 174.900 -0.463 0.000 1.298 311 G CA -0.347 44.527 45.100 -0.376 0.000 0.878 311 G HN 0.476 nan 8.290 nan 0.000 0.542 312 S N 1.920 117.220 115.700 -0.666 0.000 4.069 312 S HA 0.116 4.586 4.470 0.000 0.000 0.192 312 S C 0.565 174.591 174.600 -0.957 0.000 1.441 312 S CA -0.340 57.389 58.200 -0.785 0.000 0.994 312 S CB -0.377 62.292 63.200 -0.885 0.000 1.456 312 S HN 0.504 nan 8.310 nan 0.000 0.458 313 F N 0.715 120.534 119.950 -0.218 0.000 2.802 313 F HA 0.060 4.587 4.527 0.000 0.000 0.300 313 F C 1.864 177.691 175.800 0.044 0.000 1.168 313 F CA -0.445 57.522 58.000 -0.054 0.000 1.433 313 F CB -0.420 38.614 39.000 0.057 0.000 1.115 313 F HN 0.700 nan 8.300 nan 0.000 0.582 314 W N -1.634 119.854 121.300 0.313 0.000 2.678 314 W HA -0.015 4.645 4.660 0.000 0.000 0.256 314 W C 0.641 177.312 176.519 0.254 0.000 1.280 314 W CA -0.858 56.637 57.345 0.250 0.000 1.345 314 W CB -1.272 28.307 29.460 0.199 0.000 1.118 314 W HN 0.054 nan 8.180 nan 0.000 0.629 315 W N 6.526 127.621 121.300 -0.343 0.000 2.293 315 W HA -0.025 4.635 4.660 0.000 0.000 0.342 315 W C -1.030 175.486 176.519 -0.004 0.000 1.274 315 W CA -0.905 56.290 57.345 -0.250 0.000 1.290 315 W CB 0.617 29.765 29.460 -0.519 0.000 1.176 315 W HN -0.303 nan 8.180 nan 0.000 0.570 316 P HA -0.141 nan 4.420 nan 0.000 0.220 316 P C -0.238 176.771 177.300 -0.485 0.000 1.152 316 P CA 1.601 63.824 63.100 -1.461 0.000 0.812 316 P CB 0.184 30.920 31.700 -1.607 0.000 0.792 317 H N 0.016 119.142 119.070 0.093 0.000 2.519 317 H HA 0.256 4.812 4.556 0.000 0.000 0.316 317 H C 1.135 176.614 175.328 0.253 0.000 1.065 317 H CA -0.338 55.809 56.048 0.165 0.000 1.264 317 H CB 1.843 31.630 29.762 0.041 0.000 1.413 317 H HN 0.024 nan 8.280 nan 0.000 0.465 318 R N 2.499 123.051 120.500 0.086 0.000 2.189 318 R HA -0.076 4.264 4.340 0.000 0.000 0.218 318 R C 1.538 177.756 176.300 -0.136 0.000 1.074 318 R CA 0.411 56.276 56.100 -0.391 0.000 0.991 318 R CB 0.039 29.756 30.300 -0.972 0.000 0.883 318 R HN 0.444 nan 8.270 nan 0.000 0.457 319 I N 1.239 121.799 120.570 -0.016 0.000 2.335 319 I HA -0.185 3.985 4.170 0.000 0.000 0.251 319 I C 0.347 176.478 176.117 0.024 0.000 1.129 319 I CA 1.551 62.845 61.300 -0.011 0.000 1.402 319 I CB -0.055 37.935 38.000 -0.016 0.000 1.069 319 I HN 0.175 nan 8.210 nan 0.000 0.424 320 T N -2.426 112.178 114.554 0.083 0.000 3.053 320 T HA 0.433 4.784 4.350 0.000 0.000 0.363 320 T C -1.784 173.017 174.700 0.168 0.000 1.239 320 T CA -1.867 60.297 62.100 0.106 0.000 1.071 320 T CB 1.025 69.959 68.868 0.110 0.000 1.089 320 T HN -0.042 nan 8.240 nan 0.000 0.527 321 P HA -0.024 nan 4.420 nan 0.000 0.215 321 P C -1.355 176.105 177.300 0.267 0.000 1.157 321 P CA 1.250 64.481 63.100 0.217 0.000 0.868 321 P CB -0.904 30.890 31.700 0.157 0.000 0.788 322 P HA 0.048 nan 4.420 nan 0.000 0.249 322 P C -0.184 177.212 177.300 0.160 0.000 1.229 322 P CA 0.682 63.882 63.100 0.167 0.000 0.788 322 P CB 0.070 31.839 31.700 0.116 0.000 1.072 323 E N -0.032 120.278 120.200 0.183 0.000 2.199 323 E HA 0.650 5.000 4.350 0.000 0.000 0.269 323 E C -0.007 176.717 176.600 0.207 0.000 0.899 323 E CA -0.848 55.649 56.400 0.162 0.000 0.772 323 E CB 1.997 31.775 29.700 0.131 0.000 1.155 323 E HN 0.005 nan 8.360 nan 0.000 0.408 324 G N 1.439 110.347 108.800 0.180 0.000 2.579 324 G HA2 0.083 4.043 3.960 0.000 0.000 0.292 324 G HA3 0.083 4.043 3.960 0.000 0.000 0.292 324 G C 0.131 175.138 174.900 0.178 0.000 1.484 324 G CA -0.611 44.608 45.100 0.199 0.000 0.813 324 G HN 0.500 nan 8.290 nan 0.000 0.515 325 E N 0.085 120.404 120.200 0.198 0.000 2.055 325 E HA -0.212 4.138 4.350 0.000 0.000 0.209 325 E C 2.476 179.201 176.600 0.208 0.000 1.036 325 E CA 2.608 59.136 56.400 0.213 0.000 0.849 325 E CB -0.412 29.498 29.700 0.351 0.000 0.767 325 E HN 0.329 nan 8.360 nan 0.000 0.461 326 V N 0.749 120.820 119.914 0.262 0.000 2.490 326 V HA -0.238 3.882 4.120 0.000 0.000 0.250 326 V C 2.430 178.594 176.094 0.117 0.000 1.061 326 V CA 1.866 64.293 62.300 0.212 0.000 1.064 326 V CB -0.512 31.493 31.823 0.303 0.000 0.670 326 V HN 0.334 nan 8.190 nan 0.000 0.461 327 I N -0.123 120.521 120.570 0.123 0.000 2.315 327 I HA -0.200 3.970 4.170 0.000 0.000 0.248 327 I C 2.504 178.650 176.117 0.049 0.000 1.117 327 I CA 1.674 63.013 61.300 0.064 0.000 1.404 327 I CB -0.623 37.430 38.000 0.089 0.000 1.071 327 I HN 0.316 nan 8.210 nan 0.000 0.419 328 T N 0.586 115.182 114.554 0.070 0.000 2.737 328 T HA -0.106 4.244 4.350 0.000 0.000 0.265 328 T C 2.014 176.735 174.700 0.035 0.000 1.038 328 T CA 0.976 63.107 62.100 0.052 0.000 1.144 328 T CB -0.150 68.755 68.868 0.063 0.000 0.866 328 T HN 0.181 nan 8.240 nan 0.000 0.434 329 R N 1.201 121.728 120.500 0.044 0.000 2.127 329 R HA 0.076 4.416 4.340 0.000 0.000 0.238 329 R C 2.359 178.655 176.300 -0.006 0.000 1.134 329 R CA 0.879 56.992 56.100 0.022 0.000 0.975 329 R CB -1.196 29.122 30.300 0.030 0.000 0.865 329 R HN 0.422 nan 8.270 nan 0.000 0.447 330 L N 0.393 121.609 121.223 -0.011 0.000 2.131 330 L HA -0.010 4.330 4.340 0.000 0.000 0.206 330 L C 2.597 179.445 176.870 -0.037 0.000 1.087 330 L CA 0.933 55.750 54.840 -0.038 0.000 0.767 330 L CB -0.376 41.649 42.059 -0.056 0.000 0.917 330 L HN 0.122 nan 8.230 nan 0.000 0.441 331 K N 0.149 120.536 120.400 -0.022 0.000 2.147 331 K HA -0.175 4.145 4.320 0.000 0.000 0.205 331 K C 1.998 178.587 176.600 -0.018 0.000 1.049 331 K CA 1.898 58.172 56.287 -0.021 0.000 0.936 331 K CB 0.051 32.548 32.500 -0.006 0.000 0.722 331 K HN 0.414 nan 8.250 nan 0.000 0.446 332 T N -4.322 110.224 114.554 -0.013 0.000 3.051 332 T HA 0.196 4.546 4.350 0.000 0.000 0.255 332 T C 1.312 176.000 174.700 -0.020 0.000 1.085 332 T CA 0.656 62.749 62.100 -0.012 0.000 1.109 332 T CB 0.517 69.383 68.868 -0.003 0.000 0.921 332 T HN 0.342 nan 8.240 nan 0.000 0.488 333 G N 0.614 109.398 108.800 -0.027 0.000 2.163 333 G HA2 -0.105 3.855 3.960 0.000 0.000 0.213 333 G HA3 -0.105 3.855 3.960 0.000 0.000 0.213 333 G C 1.099 175.976 174.900 -0.038 0.000 0.991 333 G CA 0.240 45.319 45.100 -0.035 0.000 0.653 333 G HN 0.957 nan 8.290 nan 0.000 0.518 334 A N -0.617 122.184 122.820 -0.031 0.000 1.902 334 A HA 0.496 4.817 4.320 0.000 0.000 0.217 334 A C 1.287 178.834 177.584 -0.061 0.000 1.181 334 A CA 1.476 53.491 52.037 -0.036 0.000 0.623 334 A CB -0.051 18.937 19.000 -0.019 0.000 0.818 334 A HN 0.813 nan 8.150 nan 0.000 0.443 335 L N -2.099 119.087 121.223 -0.062 0.000 2.333 335 L HA 0.576 4.916 4.340 0.000 0.000 0.269 335 L C -0.661 176.162 176.870 -0.079 0.000 1.010 335 L CA -0.860 53.927 54.840 -0.089 0.000 0.818 335 L CB 2.057 44.062 42.059 -0.090 0.000 1.306 335 L HN 0.274 nan 8.230 nan 0.000 0.430 336 C N 0.919 120.166 119.300 -0.090 0.000 2.782 336 C HA 0.700 5.160 4.460 0.000 0.000 0.328 336 C C 0.759 175.701 174.990 -0.079 0.000 1.145 336 C CA -0.399 58.571 59.018 -0.079 0.000 1.358 336 C CB 1.364 29.062 27.740 -0.070 0.000 1.841 336 C HN 0.934 nan 8.230 nan 0.000 0.477 337 A N 4.395 127.168 122.820 -0.077 0.000 2.370 337 A HA 0.277 4.597 4.320 0.000 0.000 0.238 337 A C 1.003 178.552 177.584 -0.057 0.000 1.289 337 A CA -0.099 51.896 52.037 -0.069 0.000 0.885 337 A CB -0.281 18.670 19.000 -0.081 0.000 0.961 337 A HN 0.803 nan 8.150 nan 0.000 0.499 338 R N 0.316 120.783 120.500 -0.055 0.000 2.458 338 R HA 0.267 4.607 4.340 0.000 0.000 0.303 338 R C 1.159 177.441 176.300 -0.031 0.000 1.013 338 R CA 1.246 57.319 56.100 -0.045 0.000 1.026 338 R CB -0.185 30.089 30.300 -0.043 0.000 0.948 338 R HN 0.792 nan 8.270 nan 0.000 0.417 339 G N 3.572 112.359 108.800 -0.022 0.000 2.199 339 G HA2 -0.267 3.694 3.960 0.000 0.000 0.254 339 G HA3 -0.267 3.694 3.960 0.000 0.000 0.254 339 G C 0.114 175.019 174.900 0.008 0.000 0.982 339 G CA 0.081 45.178 45.100 -0.005 0.000 0.632 339 G HN 0.507 nan 8.290 nan 0.000 0.529 340 L N 0.588 121.812 121.223 0.001 0.000 2.375 340 L HA 0.583 4.923 4.340 0.000 0.000 0.271 340 L C 1.000 177.890 176.870 0.034 0.000 1.107 340 L CA -0.786 54.065 54.840 0.018 0.000 0.806 340 L CB 0.927 42.989 42.059 0.004 0.000 1.146 340 L HN 0.082 nan 8.230 nan 0.000 0.447 341 R N 3.378 123.915 120.500 0.062 0.000 2.294 341 R HA 0.676 5.016 4.340 0.000 0.000 0.319 341 R C -0.999 175.364 176.300 0.104 0.000 0.984 341 R CA -0.438 55.728 56.100 0.111 0.000 0.861 341 R CB 1.425 31.807 30.300 0.135 0.000 1.104 341 R HN 0.502 nan 8.270 nan 0.000 0.451 342 I N 2.656 123.319 120.570 0.155 0.000 2.569 342 I HA 0.271 4.441 4.170 0.000 0.000 0.290 342 I C -0.703 175.552 176.117 0.230 0.000 1.088 342 I CA -1.110 60.270 61.300 0.133 0.000 1.047 342 I CB 2.511 40.559 38.000 0.080 0.000 1.237 342 I HN 0.228 nan 8.210 nan 0.000 0.421 343 V N 6.727 126.720 119.914 0.132 0.000 2.328 343 V HA 0.329 4.449 4.120 0.000 0.000 0.278 343 V C -0.468 175.665 176.094 0.065 0.000 1.021 343 V CA -0.514 61.853 62.300 0.112 0.000 0.838 343 V CB 1.654 33.456 31.823 -0.035 0.000 0.999 343 V HN 0.379 nan 8.190 nan 0.000 0.447 344 L N 5.490 126.771 121.223 0.096 0.000 2.301 344 L HA 0.552 4.892 4.340 0.000 0.000 0.278 344 L C -0.111 176.634 176.870 -0.207 0.000 1.022 344 L CA 0.253 55.127 54.840 0.057 0.000 0.854 344 L CB 1.156 43.370 42.059 0.258 0.000 1.226 344 L HN 0.776 nan 8.230 nan 0.000 0.429 345 E N 4.030 124.107 120.200 -0.204 0.000 2.195 345 E HA 0.857 5.207 4.350 0.000 0.000 0.271 345 E C -1.531 174.938 176.600 -0.218 0.000 0.923 345 E CA -0.761 55.456 56.400 -0.306 0.000 0.790 345 E CB 1.754 31.354 29.700 -0.167 0.000 1.155 345 E HN 0.705 nan 8.360 nan 0.000 0.402 346 A N 2.502 125.184 122.820 -0.229 0.000 2.589 346 A HA 0.638 4.958 4.320 0.000 0.000 0.296 346 A C -0.597 177.109 177.584 0.204 0.000 1.062 346 A CA -0.262 51.806 52.037 0.051 0.000 0.686 346 A CB 1.530 20.582 19.000 0.088 0.000 1.282 346 A HN 0.631 nan 8.150 nan 0.000 0.404 347 G N -0.208 108.750 108.800 0.263 0.000 2.377 347 G HA2 0.556 4.516 3.960 0.000 0.000 0.299 347 G HA3 0.556 4.516 3.960 0.000 0.000 0.299 347 G C 0.934 175.893 174.900 0.100 0.000 1.150 347 G CA 0.111 45.305 45.100 0.157 0.000 0.847 347 G HN 1.849 nan 8.290 nan 0.000 0.501 348 V N 0.376 120.212 119.914 -0.130 0.000 2.759 348 V HA 0.009 4.129 4.120 0.000 0.000 0.256 348 V C 1.788 177.754 176.094 -0.213 0.000 1.080 348 V CA 1.025 63.064 62.300 -0.435 0.000 1.101 348 V CB -0.555 31.054 31.823 -0.357 0.000 0.698 348 V HN 0.644 nan 8.190 nan 0.000 0.477 349 R N 1.820 122.275 120.500 -0.076 0.000 2.426 349 R HA 0.235 4.575 4.340 0.000 0.000 0.263 349 R C 0.195 176.449 176.300 -0.077 0.000 0.961 349 R CA 0.432 56.502 56.100 -0.051 0.000 1.086 349 R CB -0.010 30.295 30.300 0.008 0.000 1.186 349 R HN 0.871 nan 8.270 nan 0.000 0.537 350 E N -0.575 119.611 120.200 -0.022 0.000 3.568 350 E HA 0.215 4.565 4.350 0.000 0.000 0.213 350 E C -2.486 174.216 176.600 0.169 0.000 1.197 350 E CA -1.976 54.426 56.400 0.004 0.000 1.126 350 E CB 1.126 30.840 29.700 0.024 0.000 1.285 350 E HN -0.149 nan 8.360 nan 0.000 0.418 351 P HA -0.247 nan 4.420 nan 0.000 0.216 351 P C 1.269 178.714 177.300 0.243 0.000 1.167 351 P CA 1.357 64.565 63.100 0.181 0.000 0.914 351 P CB 0.150 31.915 31.700 0.108 0.000 0.793 352 I N -1.501 119.180 120.570 0.185 0.000 2.226 352 I HA -0.206 3.964 4.170 0.000 0.000 0.245 352 I C 2.277 178.558 176.117 0.273 0.000 1.100 352 I CA 1.369 62.767 61.300 0.163 0.000 1.374 352 I CB -0.823 37.194 38.000 0.027 0.000 1.057 352 I HN -0.166 nan 8.210 nan 0.000 0.413 353 V N 0.540 120.647 119.914 0.321 0.000 2.358 353 V HA -0.288 3.832 4.120 0.000 0.000 0.246 353 V C 2.287 178.629 176.094 0.413 0.000 1.047 353 V CA 1.850 64.405 62.300 0.425 0.000 1.035 353 V CB -0.709 31.362 31.823 0.413 0.000 0.658 353 V HN 0.339 nan 8.190 nan 0.000 0.452 354 F N 0.914 121.015 119.950 0.251 0.000 2.134 354 F HA -0.226 4.301 4.527 0.000 0.000 0.299 354 F C 2.529 178.496 175.800 0.278 0.000 1.097 354 F CA 1.965 60.121 58.000 0.259 0.000 1.264 354 F CB -0.207 38.911 39.000 0.197 0.000 1.001 354 F HN 0.161 nan 8.300 nan 0.000 0.479 355 Q N 0.020 120.024 119.800 0.341 0.000 2.050 355 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 355 Q C 2.513 178.616 176.000 0.172 0.000 0.980 355 Q CA 1.528 57.461 55.803 0.216 0.000 0.840 355 Q CB -0.617 28.256 28.738 0.226 0.000 0.898 355 Q HN 0.519 nan 8.270 nan 0.000 0.424 356 A N 1.676 124.657 122.820 0.269 0.000 1.908 356 A HA -0.245 4.075 4.320 0.000 0.000 0.218 356 A C 1.795 179.541 177.584 0.270 0.000 1.181 356 A CA 1.706 53.933 52.037 0.317 0.000 0.627 356 A CB -0.678 18.613 19.000 0.486 0.000 0.818 356 A HN 0.372 nan 8.150 nan 0.000 0.445 357 N N -0.649 118.215 118.700 0.273 0.000 2.188 357 N HA -0.165 4.575 4.740 0.000 0.000 0.184 357 N C 1.975 177.558 175.510 0.121 0.000 1.018 357 N CA 1.408 54.622 53.050 0.273 0.000 0.858 357 N CB -0.213 38.499 38.487 0.375 0.000 0.989 357 N HN 0.658 nan 8.380 nan 0.000 0.426 358 Q N 0.832 120.590 119.800 -0.070 0.000 2.061 358 Q HA -0.085 4.255 4.340 0.000 0.000 0.204 358 Q C 2.228 178.159 176.000 -0.115 0.000 0.984 358 Q CA 1.525 57.161 55.803 -0.279 0.000 0.846 358 Q CB -0.149 28.432 28.738 -0.262 0.000 0.902 358 Q HN 0.362 nan 8.270 nan 0.000 0.421 359 A N 0.837 123.647 122.820 -0.016 0.000 1.908 359 A HA -0.198 4.122 4.320 0.000 0.000 0.218 359 A C 2.054 179.633 177.584 -0.009 0.000 1.181 359 A CA 1.291 53.334 52.037 0.011 0.000 0.627 359 A CB -0.668 18.372 19.000 0.067 0.000 0.818 359 A HN 0.355 nan 8.150 nan 0.000 0.445 360 L N -1.712 119.504 121.223 -0.011 0.000 2.017 360 L HA -0.159 4.181 4.340 0.000 0.000 0.208 360 L C 2.330 179.144 176.870 -0.094 0.000 1.073 360 L CA 2.455 57.234 54.840 -0.101 0.000 0.745 360 L CB -0.869 41.015 42.059 -0.292 0.000 0.894 360 L HN 0.519 nan 8.230 nan 0.000 0.432 361 Y N 0.173 120.360 120.300 -0.187 0.000 2.165 361 Y HA -0.276 4.275 4.550 0.000 0.000 0.286 361 Y C 2.396 178.179 175.900 -0.196 0.000 1.155 361 Y CA 1.963 59.939 58.100 -0.207 0.000 1.164 361 Y CB -0.590 37.627 38.460 -0.406 0.000 0.978 361 Y HN 0.282 nan 8.280 nan 0.000 0.513 362 A N 0.120 122.886 122.820 -0.090 0.000 1.917 362 A HA -0.257 4.063 4.320 0.000 0.000 0.219 362 A C 2.074 179.555 177.584 -0.172 0.000 1.182 362 A CA 1.983 53.943 52.037 -0.128 0.000 0.633 362 A CB -0.624 18.339 19.000 -0.061 0.000 0.819 362 A HN 0.574 nan 8.150 nan 0.000 0.448 363 Q N -0.297 119.417 119.800 -0.142 0.000 2.123 363 Q HA 0.086 4.426 4.340 0.000 0.000 0.199 363 Q C 0.885 176.785 176.000 -0.166 0.000 0.966 363 Q CA 0.362 56.090 55.803 -0.125 0.000 0.845 363 Q CB -0.532 28.155 28.738 -0.085 0.000 0.907 363 Q HN 0.654 nan 8.270 nan 0.000 0.439 364 L N 1.894 122.980 121.223 -0.229 0.000 2.473 364 L HA 0.008 4.348 4.340 0.000 0.000 0.268 364 L C 0.857 177.563 176.870 -0.274 0.000 1.215 364 L CA -0.407 54.288 54.840 -0.243 0.000 0.823 364 L CB -0.015 41.879 42.059 -0.275 0.000 1.099 364 L HN 0.032 nan 8.230 nan 0.000 0.483 365 N N 0.474 119.046 118.700 -0.213 0.000 2.605 365 N HA -0.046 4.694 4.740 0.000 0.000 0.282 365 N C 1.186 176.552 175.510 -0.240 0.000 1.206 365 N CA 0.250 53.186 53.050 -0.190 0.000 1.074 365 N CB 0.326 38.734 38.487 -0.131 0.000 1.434 365 N HN 0.643 nan 8.380 nan 0.000 0.506 366 T N -1.275 113.085 114.554 -0.324 0.000 2.869 366 T HA -0.166 4.184 4.350 0.000 0.000 0.270 366 T C 1.570 176.163 174.700 -0.178 0.000 1.082 366 T CA 1.416 63.304 62.100 -0.354 0.000 1.123 366 T CB -0.263 68.394 68.868 -0.351 0.000 0.856 366 T HN 0.269 nan 8.240 nan 0.000 0.499 367 S N 0.893 116.509 115.700 -0.140 0.000 2.515 367 S HA 0.036 4.506 4.470 0.000 0.000 0.231 367 S C 0.922 175.466 174.600 -0.094 0.000 0.987 367 S CA 0.189 58.332 58.200 -0.095 0.000 0.936 367 S CB -0.354 62.798 63.200 -0.079 0.000 0.766 367 S HN 0.606 nan 8.310 nan 0.000 0.528 368 Q N 2.593 122.324 119.800 -0.115 0.000 2.300 368 Q HA 0.071 4.411 4.340 0.000 0.000 0.262 368 Q C 1.200 177.121 176.000 -0.132 0.000 1.109 368 Q CA -0.191 55.548 55.803 -0.106 0.000 0.905 368 Q CB 0.444 29.118 28.738 -0.107 0.000 1.280 368 Q HN 0.536 nan 8.270 nan 0.000 0.426 369 Q N 1.554 121.283 119.800 -0.119 0.000 2.368 369 Q HA -0.126 4.214 4.340 0.000 0.000 0.210 369 Q C 0.578 176.408 176.000 -0.283 0.000 0.982 369 Q CA 1.621 57.326 55.803 -0.163 0.000 0.884 369 Q CB 0.043 28.726 28.738 -0.092 0.000 0.933 369 Q HN 0.514 nan 8.270 nan 0.000 0.460 370 S N 0.544 116.130 115.700 -0.190 0.000 2.607 370 S HA 0.184 4.654 4.470 0.000 0.000 0.224 370 S C 0.590 175.056 174.600 -0.222 0.000 0.969 370 S CA 0.069 58.183 58.200 -0.143 0.000 0.927 370 S CB -0.046 63.157 63.200 0.004 0.000 0.772 370 S HN 0.305 nan 8.310 nan 0.000 0.533 371 I N 1.747 122.128 120.570 -0.315 0.000 2.353 371 I HA 0.325 4.495 4.170 0.000 0.000 0.293 371 I C -1.096 174.841 176.117 -0.300 0.000 0.992 371 I CA -0.464 60.747 61.300 -0.149 0.000 1.268 371 I CB 0.965 38.935 38.000 -0.050 0.000 1.387 371 I HN 0.014 nan 8.210 nan 0.000 0.478 372 F N 5.662 125.698 119.950 0.143 0.000 2.403 372 F HA 0.269 4.796 4.527 0.000 0.000 0.355 372 F C -0.235 175.674 175.800 0.182 0.000 1.119 372 F CA -0.601 57.483 58.000 0.140 0.000 1.007 372 F CB 1.090 40.122 39.000 0.054 0.000 1.194 372 F HN 0.507 nan 8.300 nan 0.000 0.443 373 W N 5.964 127.355 121.300 0.152 0.000 2.351 373 W HA 0.542 5.202 4.660 0.000 0.000 0.311 373 W C -1.067 175.465 176.519 0.021 0.000 1.168 373 W CA -0.703 56.643 57.345 0.003 0.000 1.200 373 W CB 1.111 30.375 29.460 -0.327 0.000 1.221 373 W HN 0.378 nan 8.180 nan 0.000 0.519 374 R N 4.977 125.000 120.500 -0.795 0.000 2.502 374 R HA 0.231 4.571 4.340 0.000 0.000 0.300 374 R C -0.576 175.300 176.300 -0.706 0.000 0.984 374 R CA -0.732 55.046 56.100 -0.537 0.000 0.882 374 R CB 2.063 32.206 30.300 -0.262 0.000 1.180 374 R HN 0.613 nan 8.270 nan 0.000 0.444 375 Q N 1.675 121.268 119.800 -0.346 0.000 2.257 375 Q HA 0.469 4.809 4.340 0.000 0.000 0.255 375 Q C -0.327 175.657 176.000 -0.028 0.000 0.920 375 Q CA -0.738 55.031 55.803 -0.058 0.000 0.927 375 Q CB 2.549 31.439 28.738 0.253 0.000 1.229 375 Q HN 0.213 nan 8.270 nan 0.000 0.433 376 V N 1.874 121.785 119.914 -0.005 0.000 2.483 376 V HA 0.099 4.219 4.120 0.000 0.000 0.295 376 V C -0.129 175.955 176.094 -0.017 0.000 1.035 376 V CA -0.707 61.576 62.300 -0.029 0.000 0.896 376 V CB 1.780 33.578 31.823 -0.041 0.000 0.986 376 V HN 0.710 nan 8.190 nan 0.000 0.447 377 D N 3.274 123.659 120.400 -0.024 0.000 2.517 377 D HA 0.523 5.163 4.640 0.000 0.000 0.220 377 D C 0.222 176.516 176.300 -0.010 0.000 1.158 377 D CA 0.728 54.744 54.000 0.026 0.000 0.992 377 D CB 0.315 41.150 40.800 0.058 0.000 1.058 377 D HN 0.836 nan 8.370 nan 0.000 0.516 378 G N 0.424 109.220 108.800 -0.006 0.000 2.340 378 G HA2 0.514 4.474 3.960 0.000 0.000 0.299 378 G HA3 0.514 4.474 3.960 0.000 0.000 0.299 378 G C -0.420 174.453 174.900 -0.045 0.000 1.291 378 G CA -0.216 44.828 45.100 -0.095 0.000 0.841 378 G HN 0.468 nan 8.290 nan 0.000 0.500 379 G N -1.955 106.777 108.800 -0.114 0.000 3.212 379 G HA2 0.481 4.441 3.960 0.000 0.000 0.188 379 G HA3 0.481 4.441 3.960 0.000 0.000 0.188 379 G C -0.775 174.030 174.900 -0.159 0.000 1.254 379 G CA -0.478 44.544 45.100 -0.129 0.000 0.957 379 G HN 0.870 nan 8.290 nan 0.000 0.596 380 H N 0.577 119.465 119.070 -0.305 0.000 3.045 380 H HA 0.420 4.976 4.556 0.000 0.000 0.254 380 H C -1.111 173.862 175.328 -0.592 0.000 1.747 380 H CA 0.012 55.956 56.048 -0.174 0.000 1.444 380 H CB -0.205 29.486 29.762 -0.118 0.000 1.778 380 H HN 0.203 nan 8.280 nan 0.000 0.544 381 D N 2.260 121.959 120.400 -1.168 0.000 2.788 381 D HA 0.225 4.865 4.640 0.000 0.000 0.247 381 D C 0.777 176.159 176.300 -1.531 0.000 1.236 381 D CA -0.145 53.199 54.000 -1.094 0.000 0.898 381 D CB 1.376 41.833 40.800 -0.571 0.000 1.401 381 D HN 0.478 nan 8.370 nan 0.000 0.549 382 A N 3.509 125.650 122.820 -1.132 0.000 1.978 382 A HA -0.170 4.150 4.320 0.000 0.000 0.220 382 A C 1.948 179.341 177.584 -0.319 0.000 1.170 382 A CA 1.097 52.789 52.037 -0.575 0.000 0.636 382 A CB -0.366 18.387 19.000 -0.412 0.000 0.810 382 A HN 0.577 nan 8.150 nan 0.000 0.448 383 L N -0.295 120.731 121.223 -0.328 0.000 2.042 383 L HA -0.196 4.145 4.340 0.000 0.000 0.210 383 L C 2.462 179.089 176.870 -0.405 0.000 1.076 383 L CA 2.312 56.924 54.840 -0.379 0.000 0.749 383 L CB -0.774 41.151 42.059 -0.224 0.000 0.893 383 L HN 0.485 nan 8.230 nan 0.000 0.432 384 C N -1.638 117.412 119.300 -0.416 0.000 2.476 384 C HA -0.127 4.333 4.460 0.000 0.000 0.278 384 C C 2.422 177.317 174.990 -0.158 0.000 1.274 384 C CA 0.099 58.918 59.018 -0.331 0.000 1.713 384 C CB -1.397 26.135 27.740 -0.346 0.000 2.039 384 C HN 0.744 nan 8.230 nan 0.000 0.484 385 W N 2.466 123.667 121.300 -0.164 0.000 2.350 385 W HA -0.145 4.515 4.660 0.000 0.000 0.289 385 W C 2.627 179.052 176.519 -0.157 0.000 1.215 385 W CA 1.464 58.745 57.345 -0.108 0.000 1.236 385 W CB -1.245 28.224 29.460 0.015 0.000 1.130 385 W HN 0.522 nan 8.180 nan 0.000 0.541 386 R N 0.528 121.029 120.500 0.001 0.000 2.103 386 R HA -0.127 4.213 4.340 0.000 0.000 0.242 386 R C 2.311 178.434 176.300 -0.296 0.000 1.142 386 R CA 2.115 58.004 56.100 -0.351 0.000 0.960 386 R CB -1.531 28.098 30.300 -1.119 0.000 0.858 386 R HN 0.118 nan 8.270 nan 0.000 0.439 387 G N 0.041 108.658 108.800 -0.305 0.000 2.408 387 G HA2 -0.090 3.870 3.960 0.000 0.000 0.215 387 G HA3 -0.090 3.870 3.960 0.000 0.000 0.215 387 G C 1.583 176.454 174.900 -0.048 0.000 1.156 387 G CA 0.450 45.479 45.100 -0.118 0.000 0.793 387 G HN 0.507 nan 8.290 nan 0.000 0.535 388 G N 0.629 109.388 108.800 -0.067 0.000 2.443 388 G HA2 -0.054 3.907 3.960 0.000 0.000 0.219 388 G HA3 -0.054 3.907 3.960 0.000 0.000 0.219 388 G C 1.660 176.494 174.900 -0.109 0.000 1.131 388 G CA 0.858 45.914 45.100 -0.073 0.000 0.775 388 G HN 0.355 nan 8.290 nan 0.000 0.547 389 L N 1.763 122.907 121.223 -0.131 0.000 1.976 389 L HA -0.055 4.285 4.340 0.000 0.000 0.209 389 L C 3.195 179.965 176.870 -0.166 0.000 1.071 389 L CA 2.904 57.614 54.840 -0.217 0.000 0.746 389 L CB -1.104 40.721 42.059 -0.388 0.000 0.890 389 L HN 0.339 nan 8.230 nan 0.000 0.432 390 T N -3.647 110.867 114.554 -0.067 0.000 2.857 390 T HA -0.208 4.143 4.350 0.000 0.000 0.266 390 T C 1.838 176.494 174.700 -0.073 0.000 1.048 390 T CA 1.201 63.262 62.100 -0.065 0.000 1.139 390 T CB -0.451 68.400 68.868 -0.027 0.000 0.874 390 T HN 0.345 nan 8.240 nan 0.000 0.455 391 Q N 1.774 121.536 119.800 -0.063 0.000 2.124 391 Q HA 0.108 4.448 4.340 0.000 0.000 0.202 391 Q C 2.466 178.377 176.000 -0.147 0.000 0.977 391 Q CA 2.008 57.759 55.803 -0.086 0.000 0.850 391 Q CB -1.124 27.569 28.738 -0.075 0.000 0.901 391 Q HN 0.632 nan 8.270 nan 0.000 0.429 392 G N 0.348 109.046 108.800 -0.169 0.000 2.418 392 G HA2 -0.105 3.855 3.960 0.000 0.000 0.217 392 G HA3 -0.105 3.855 3.960 0.000 0.000 0.217 392 G C 0.594 175.319 174.900 -0.291 0.000 1.158 392 G CA 0.498 45.463 45.100 -0.225 0.000 0.771 392 G HN 0.305 nan 8.290 nan 0.000 0.545 396 L N 0.068 121.092 121.223 -0.331 0.000 2.083 396 L HA -0.157 4.183 4.340 0.000 0.000 0.209 396 L C 1.558 178.378 176.870 -0.083 0.000 1.083 396 L CA 1.617 56.311 54.840 -0.244 0.000 0.752 396 L CB -0.311 41.494 42.059 -0.422 0.000 0.899 396 L HN 0.430 nan 8.230 nan 0.000 0.433 397 W N 0.243 121.516 121.300 -0.045 0.000 3.330 397 W HA 0.121 4.781 4.660 0.000 0.000 0.348 397 W C 2.088 178.595 176.519 -0.020 0.000 1.205 397 W CA -0.426 56.905 57.345 -0.022 0.000 1.841 397 W CB -0.644 28.802 29.460 -0.022 0.000 1.084 397 W HN 0.365 nan 8.180 nan 0.000 0.665 398 Q N 1.723 121.610 119.800 0.144 0.000 2.082 398 Q HA -0.229 4.111 4.340 0.000 0.000 0.211 398 Q C -0.664 175.398 176.000 0.104 0.000 1.002 398 Q CA 2.514 58.373 55.803 0.093 0.000 0.868 398 Q CB -1.017 27.756 28.738 0.059 0.000 0.931 398 Q HN 0.029 nan 8.270 nan 0.000 0.414 399 P HA -0.189 nan 4.420 nan 0.000 0.216 399 P C 1.202 178.543 177.300 0.068 0.000 1.157 399 P CA 1.301 64.455 63.100 0.091 0.000 0.880 399 P CB -0.097 31.664 31.700 0.102 0.000 0.791 400 L N -1.721 119.546 121.223 0.073 0.000 2.072 400 L HA -0.080 4.260 4.340 0.000 0.000 0.205 400 L C 2.483 179.360 176.870 0.011 0.000 1.079 400 L CA 1.475 56.324 54.840 0.015 0.000 0.752 400 L CB -1.370 40.656 42.059 -0.055 0.000 0.906 400 L HN -0.068 nan 8.230 nan 0.000 0.436 401 I N -0.214 120.385 120.570 0.048 0.000 2.163 401 I HA -0.302 3.868 4.170 0.000 0.000 0.243 401 I C 1.946 178.081 176.117 0.029 0.000 1.085 401 I CA 1.227 62.551 61.300 0.040 0.000 1.347 401 I CB -0.454 37.587 38.000 0.068 0.000 1.044 401 I HN 0.257 nan 8.210 nan 0.000 0.408 402 D N 0.642 121.064 120.400 0.037 0.000 2.182 402 D HA -0.102 4.538 4.640 0.000 0.000 0.201 402 D C 1.371 177.683 176.300 0.021 0.000 0.986 402 D CA 1.245 55.264 54.000 0.031 0.000 0.847 402 D CB -0.527 40.295 40.800 0.037 0.000 0.942 402 D HN 0.443 nan 8.370 nan 0.000 0.467 403 T N 0.000 114.563 114.554 0.015 0.000 3.816 403 T HA 0.000 4.350 4.350 0.000 0.000 0.228 403 T CA 0.000 62.104 62.100 0.007 0.000 1.349 403 T CB 0.000 68.868 68.868 0.001 0.000 0.612 403 T HN 0.000 nan 8.240 nan 0.000 0.658