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 2w6m_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLDKIVIANR GEIALRILRA CKELGIKTVA VHSSADRDLK HVLLADETVC DATA SEQUENCE IGPAPSVKSY LNIPAIISAA EITGAVAIHP GYGFLSENAN FAEQVERSGF DATA SEQUENCE IFIGPKAETI RLMGDKVSAI AAMKKAGVPC VPGSDGPLGD DMDKNRAIAK DATA SEQUENCE RIGYPVIIKA SGGGGGRGMR VVRGDAELAQ SISMTRAEAK AAFSNDMVYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIEMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKLGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.300 55.300 0.000 0.000 0.988 1 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2 L N 2.993 124.219 121.223 0.006 0.000 2.499 2 L HA 0.109 4.449 4.340 0.001 0.000 0.273 2 L C 0.876 177.756 176.870 0.017 0.000 1.195 2 L CA 0.169 55.017 54.840 0.013 0.000 0.882 2 L CB 0.152 42.220 42.059 0.015 0.000 1.133 2 L HN 0.840 nan 8.230 nan 0.000 0.483 3 D N 2.331 122.743 120.400 0.020 0.000 2.123 3 D HA -0.080 4.561 4.640 0.001 0.000 0.200 3 D C 0.493 176.809 176.300 0.027 0.000 0.976 3 D CA 1.348 55.360 54.000 0.021 0.000 0.831 3 D CB 0.411 41.223 40.800 0.020 0.000 0.974 3 D HN 0.469 nan 8.370 nan 0.000 0.469 4 K N -0.304 120.119 120.400 0.038 0.000 2.561 4 K HA 0.362 4.682 4.320 0.001 0.000 0.254 4 K C -1.588 175.046 176.600 0.056 0.000 0.942 4 K CA -0.804 55.510 56.287 0.044 0.000 0.818 4 K CB 1.291 33.821 32.500 0.049 0.000 1.306 4 K HN 0.185 nan 8.250 nan 0.000 0.435 5 I N 0.419 121.016 120.570 0.045 0.000 2.785 5 I HA 0.555 4.725 4.170 0.001 0.000 0.302 5 I C -1.080 175.056 176.117 0.031 0.000 1.069 5 I CA -1.059 60.267 61.300 0.043 0.000 1.045 5 I CB 2.163 40.186 38.000 0.039 0.000 1.236 5 I HN 0.185 nan 8.210 nan 0.000 0.429 6 V N 5.964 125.886 119.914 0.013 0.000 2.465 6 V HA 0.328 4.449 4.120 0.001 0.000 0.279 6 V C 0.312 176.419 176.094 0.022 0.000 1.045 6 V CA -0.284 62.020 62.300 0.006 0.000 0.938 6 V CB 1.276 33.076 31.823 -0.038 0.000 0.986 6 V HN 0.509 nan 8.190 nan 0.000 0.467 7 I N 4.655 125.240 120.570 0.025 0.000 2.282 7 I HA 0.330 4.500 4.170 0.001 0.000 0.290 7 I C 0.905 177.018 176.117 -0.006 0.000 1.090 7 I CA -0.115 61.178 61.300 -0.012 0.000 1.231 7 I CB 1.041 39.011 38.000 -0.050 0.000 1.434 7 I HN 0.675 nan 8.210 nan 0.000 0.487 8 A N 6.088 128.912 122.820 0.006 0.000 3.118 8 A HA 0.319 4.640 4.320 0.001 0.000 0.256 8 A C 0.175 177.698 177.584 -0.102 0.000 1.667 8 A CA 0.040 52.079 52.037 0.004 0.000 1.338 8 A CB -0.589 18.465 19.000 0.090 0.000 1.127 8 A HN 0.777 nan 8.150 nan 0.000 0.634 9 N N 0.044 118.623 118.700 -0.202 0.000 3.449 9 N HA 0.443 5.183 4.740 0.001 0.000 0.312 9 N C -0.885 174.285 175.510 -0.566 0.000 1.557 9 N CA -0.387 52.395 53.050 -0.447 0.000 0.864 9 N CB 1.326 39.596 38.487 -0.362 0.000 1.799 9 N HN 0.643 nan 8.380 nan 0.000 0.554 10 R N -1.014 119.083 120.500 -0.672 0.000 2.870 10 R HA 0.717 5.058 4.340 0.001 0.000 0.262 10 R C 0.523 176.477 176.300 -0.577 0.000 1.112 10 R CA -0.049 55.682 56.100 -0.614 0.000 0.976 10 R CB 0.119 29.900 30.300 -0.864 0.000 1.261 10 R HN 0.680 nan 8.270 nan 0.000 0.453 11 G N 0.920 109.351 108.800 -0.615 0.000 2.566 11 G HA2 -0.453 3.507 3.960 0.001 0.000 0.280 11 G HA3 -0.453 3.507 3.960 0.001 0.000 0.280 11 G C 0.642 175.115 174.900 -0.711 0.000 1.225 11 G CA 1.017 45.511 45.100 -1.010 0.000 0.966 11 G HN 1.004 nan 8.290 nan 0.000 0.560 12 E N -0.298 119.685 120.200 -0.360 0.000 2.106 12 E HA 0.069 4.419 4.350 0.001 0.000 0.192 12 E C 2.479 178.968 176.600 -0.184 0.000 0.984 12 E CA 2.001 58.336 56.400 -0.108 0.000 0.806 12 E CB -0.158 29.541 29.700 -0.001 0.000 0.750 12 E HN 0.782 nan 8.360 nan 0.000 0.458 13 I N 0.846 121.263 120.570 -0.255 0.000 2.394 13 I HA -0.028 4.142 4.170 0.001 0.000 0.251 13 I C 2.208 178.079 176.117 -0.410 0.000 1.136 13 I CA 1.232 62.341 61.300 -0.319 0.000 1.425 13 I CB -0.596 37.012 38.000 -0.653 0.000 1.079 13 I HN 0.240 nan 8.210 nan 0.000 0.425 14 A N 0.015 122.511 122.820 -0.540 0.000 1.902 14 A HA -0.185 4.136 4.320 0.001 0.000 0.217 14 A C 2.219 179.477 177.584 -0.544 0.000 1.181 14 A CA 1.856 53.460 52.037 -0.721 0.000 0.623 14 A CB -1.046 17.159 19.000 -1.324 0.000 0.818 14 A HN 0.477 nan 8.150 nan 0.000 0.443 15 L N -0.281 120.718 121.223 -0.375 0.000 2.056 15 L HA -0.078 4.262 4.340 0.001 0.000 0.207 15 L C 2.388 179.192 176.870 -0.110 0.000 1.078 15 L CA 2.380 57.141 54.840 -0.133 0.000 0.749 15 L CB -0.638 41.388 42.059 -0.055 0.000 0.901 15 L HN 0.411 nan 8.230 nan 0.000 0.433 16 R N 0.106 120.528 120.500 -0.130 0.000 2.083 16 R HA -0.164 4.177 4.340 0.001 0.000 0.237 16 R C 2.125 178.360 176.300 -0.109 0.000 1.137 16 R CA 2.321 58.375 56.100 -0.077 0.000 0.951 16 R CB -0.821 29.468 30.300 -0.018 0.000 0.851 16 R HN 0.517 nan 8.270 nan 0.000 0.434 17 I N 0.175 120.619 120.570 -0.211 0.000 2.252 17 I HA -0.223 3.948 4.170 0.001 0.000 0.245 17 I C 2.330 178.364 176.117 -0.138 0.000 1.102 17 I CA 1.078 62.226 61.300 -0.253 0.000 1.385 17 I CB -0.307 37.411 38.000 -0.470 0.000 1.064 17 I HN 0.226 nan 8.210 nan 0.000 0.414 18 L N 0.811 121.969 121.223 -0.107 0.000 2.042 18 L HA -0.253 4.087 4.340 0.001 0.000 0.210 18 L C 2.790 179.649 176.870 -0.019 0.000 1.076 18 L CA 1.698 56.520 54.840 -0.031 0.000 0.749 18 L CB -0.288 41.787 42.059 0.027 0.000 0.893 18 L HN 0.099 nan 8.230 nan 0.000 0.432 19 R N -0.414 120.073 120.500 -0.022 0.000 2.081 19 R HA -0.149 4.191 4.340 0.001 0.000 0.235 19 R C 2.351 178.648 176.300 -0.006 0.000 1.131 19 R CA 1.353 57.449 56.100 -0.007 0.000 0.960 19 R CB -0.619 29.680 30.300 -0.001 0.000 0.856 19 R HN 0.565 nan 8.270 nan 0.000 0.436 20 A N 0.594 123.405 122.820 -0.016 0.000 1.902 20 A HA -0.193 4.128 4.320 0.001 0.000 0.217 20 A C 2.413 179.994 177.584 -0.005 0.000 1.181 20 A CA 1.517 53.549 52.037 -0.009 0.000 0.623 20 A CB -0.863 18.127 19.000 -0.017 0.000 0.818 20 A HN 0.464 nan 8.150 nan 0.000 0.443 21 C N -0.666 118.628 119.300 -0.010 0.000 2.413 21 C HA -0.105 4.355 4.460 0.001 0.000 0.276 21 C C 2.722 177.714 174.990 0.004 0.000 1.236 21 C CA 1.383 60.401 59.018 -0.000 0.000 1.735 21 C CB -1.102 26.638 27.740 -0.000 0.000 2.031 21 C HN 0.625 nan 8.230 nan 0.000 0.474 22 K N 0.592 120.994 120.400 0.003 0.000 2.063 22 K HA -0.173 4.147 4.320 0.001 0.000 0.208 22 K C 1.917 178.521 176.600 0.006 0.000 1.048 22 K CA 1.484 57.775 56.287 0.006 0.000 0.928 22 K CB -0.247 32.257 32.500 0.006 0.000 0.713 22 K HN 0.600 nan 8.250 nan 0.000 0.442 23 E N 0.541 120.745 120.200 0.006 0.000 2.110 23 E HA -0.162 4.189 4.350 0.001 0.000 0.193 23 E C 1.649 178.253 176.600 0.007 0.000 0.988 23 E CA 0.904 57.308 56.400 0.007 0.000 0.804 23 E CB 0.016 29.721 29.700 0.008 0.000 0.745 23 E HN 0.265 nan 8.360 nan 0.000 0.458 24 L N -0.687 120.539 121.223 0.006 0.000 2.592 24 L HA 0.172 4.512 4.340 0.001 0.000 0.227 24 L C 1.230 178.104 176.870 0.006 0.000 1.127 24 L CA 0.239 55.082 54.840 0.006 0.000 0.884 24 L CB 0.264 42.327 42.059 0.006 0.000 1.065 24 L HN 0.257 nan 8.230 nan 0.000 0.457 25 G N 1.173 109.977 108.800 0.007 0.000 2.147 25 G HA2 -0.282 3.679 3.960 0.001 0.000 0.244 25 G HA3 -0.282 3.679 3.960 0.001 0.000 0.244 25 G C 0.157 175.062 174.900 0.009 0.000 1.005 25 G CA -0.165 44.939 45.100 0.007 0.000 0.713 25 G HN 0.302 nan 8.290 nan 0.000 0.515 26 I N 0.686 121.262 120.570 0.010 0.000 2.371 26 I HA 0.250 4.420 4.170 0.001 0.000 0.290 26 I C 0.908 177.033 176.117 0.015 0.000 1.028 26 I CA -0.526 60.782 61.300 0.013 0.000 1.345 26 I CB 0.921 38.930 38.000 0.014 0.000 1.407 26 I HN -0.004 nan 8.210 nan 0.000 0.501 27 K N 4.193 124.603 120.400 0.018 0.000 2.355 27 K HA 0.233 4.554 4.320 0.001 0.000 0.270 27 K C 0.100 176.714 176.600 0.022 0.000 1.003 27 K CA -0.161 56.137 56.287 0.019 0.000 0.957 27 K CB 0.556 33.068 32.500 0.020 0.000 0.939 27 K HN 0.677 nan 8.250 nan 0.000 0.482 28 T N -1.770 112.797 114.554 0.022 0.000 2.829 28 T HA 0.473 4.823 4.350 0.001 0.000 0.280 28 T C -0.396 174.322 174.700 0.029 0.000 0.999 28 T CA -0.975 61.141 62.100 0.027 0.000 0.983 28 T CB 1.199 70.085 68.868 0.031 0.000 0.968 28 T HN 0.136 nan 8.240 nan 0.000 0.446 29 V N 2.350 122.285 119.914 0.035 0.000 2.378 29 V HA 0.695 4.815 4.120 0.001 0.000 0.288 29 V C 0.369 176.496 176.094 0.054 0.000 1.016 29 V CA -1.025 61.296 62.300 0.034 0.000 0.840 29 V CB 1.095 32.933 31.823 0.026 0.000 0.994 29 V HN 1.235 nan 8.190 nan 0.000 0.431 30 A N 5.450 128.304 122.820 0.058 0.000 2.294 30 A HA 0.676 4.997 4.320 0.001 0.000 0.316 30 A C -0.055 177.607 177.584 0.130 0.000 1.359 30 A CA -0.459 51.637 52.037 0.099 0.000 0.956 30 A CB 0.542 19.501 19.000 -0.067 0.000 1.155 30 A HN 1.186 nan 8.150 nan 0.000 0.544 31 V N 2.306 122.286 119.914 0.110 0.000 2.498 31 V HA 0.767 4.888 4.120 0.001 0.000 0.279 31 V C -0.335 175.822 176.094 0.104 0.000 1.048 31 V CA -0.245 62.064 62.300 0.014 0.000 0.967 31 V CB 0.109 31.901 31.823 -0.052 0.000 0.988 31 V HN 1.069 nan 8.190 nan 0.000 0.473 32 H N 1.504 120.536 119.070 -0.063 0.000 3.012 32 H HA 0.781 5.338 4.556 0.001 0.000 0.367 32 H C -0.115 175.062 175.328 -0.253 0.000 1.211 32 H CA -0.190 55.824 56.048 -0.056 0.000 1.139 32 H CB 1.065 30.846 29.762 0.031 0.000 1.838 32 H HN 0.905 nan 8.280 nan 0.000 0.550 33 S N 0.912 116.459 115.700 -0.255 0.000 2.608 33 S HA 0.082 4.552 4.470 0.001 0.000 0.261 33 S C 0.681 175.338 174.600 0.096 0.000 1.314 33 S CA -0.069 58.020 58.200 -0.186 0.000 0.992 33 S CB 0.974 64.128 63.200 -0.077 0.000 0.935 33 S HN 0.689 nan 8.310 nan 0.000 0.564 34 S N 0.990 116.705 115.700 0.025 0.000 2.419 34 S HA -0.028 4.443 4.470 0.001 0.000 0.233 34 S C 1.954 176.633 174.600 0.131 0.000 1.016 34 S CA 0.893 59.142 58.200 0.083 0.000 0.974 34 S CB -0.800 62.405 63.200 0.008 0.000 0.786 34 S HN 0.909 nan 8.310 nan 0.000 0.492 35 A N 0.911 123.820 122.820 0.148 0.000 2.119 35 A HA 0.039 4.359 4.320 0.001 0.000 0.216 35 A C 1.157 178.916 177.584 0.292 0.000 1.152 35 A CA 0.766 52.939 52.037 0.228 0.000 0.708 35 A CB -0.007 19.161 19.000 0.281 0.000 0.805 35 A HN 0.228 nan 8.150 nan 0.000 0.460 36 D N -1.209 119.365 120.400 0.291 0.000 2.463 36 D HA 0.123 4.763 4.640 0.001 0.000 0.224 36 D C 1.494 177.835 176.300 0.070 0.000 1.174 36 D CA -0.087 54.068 54.000 0.259 0.000 0.829 36 D CB 0.045 41.024 40.800 0.299 0.000 0.993 36 D HN 0.425 nan 8.370 nan 0.000 0.497 37 R N 0.628 121.143 120.500 0.025 0.000 2.127 37 R HA -0.105 4.235 4.340 0.001 0.000 0.238 37 R C 0.237 176.461 176.300 -0.127 0.000 1.134 37 R CA 1.262 57.246 56.100 -0.193 0.000 0.975 37 R CB 0.281 30.576 30.300 -0.008 0.000 0.865 37 R HN -0.046 nan 8.270 nan 0.000 0.447 38 D N 0.193 120.637 120.400 0.073 0.000 2.388 38 D HA 0.080 4.720 4.640 0.001 0.000 0.221 38 D C -0.164 176.320 176.300 0.307 0.000 1.133 38 D CA -0.052 54.061 54.000 0.189 0.000 0.831 38 D CB 0.224 41.194 40.800 0.284 0.000 0.962 38 D HN 0.221 nan 8.370 nan 0.000 0.502 39 L N 1.255 122.588 121.223 0.183 0.000 2.485 39 L HA -0.006 4.335 4.340 0.001 0.000 0.275 39 L C 2.071 178.985 176.870 0.073 0.000 1.207 39 L CA 0.117 55.043 54.840 0.143 0.000 0.855 39 L CB 1.051 43.170 42.059 0.100 0.000 1.114 39 L HN -0.122 nan 8.230 nan 0.000 0.485 40 K N 2.175 122.648 120.400 0.122 0.000 2.044 40 K HA -0.247 4.073 4.320 0.001 0.000 0.210 40 K C 2.063 178.672 176.600 0.014 0.000 1.049 40 K CA 1.982 58.306 56.287 0.063 0.000 0.927 40 K CB -0.109 32.448 32.500 0.094 0.000 0.713 40 K HN 0.822 nan 8.250 nan 0.000 0.443 41 H N -0.329 118.717 119.070 -0.040 0.000 2.423 41 H HA -0.050 4.507 4.556 0.001 0.000 0.297 41 H C 1.904 177.203 175.328 -0.049 0.000 1.075 41 H CA 1.301 57.316 56.048 -0.054 0.000 1.342 41 H CB -0.568 29.145 29.762 -0.082 0.000 1.395 41 H HN 0.028 nan 8.280 nan 0.000 0.530 42 V N 1.972 121.412 119.914 -0.791 0.000 2.343 42 V HA -0.245 3.876 4.120 0.001 0.000 0.247 42 V C 3.099 179.032 176.094 -0.269 0.000 1.051 42 V CA 1.665 63.620 62.300 -0.575 0.000 1.036 42 V CB -0.628 30.872 31.823 -0.539 0.000 0.654 42 V HN 0.299 nan 8.190 nan 0.000 0.451 43 L N -0.932 120.179 121.223 -0.188 0.000 2.275 43 L HA -0.090 4.250 4.340 0.001 0.000 0.215 43 L C 2.097 178.913 176.870 -0.089 0.000 1.119 43 L CA 1.156 55.925 54.840 -0.118 0.000 0.790 43 L CB -0.367 41.629 42.059 -0.106 0.000 0.919 43 L HN 0.316 nan 8.230 nan 0.000 0.443 44 L N -0.717 120.457 121.223 -0.081 0.000 2.513 44 L HA 0.241 4.581 4.340 0.001 0.000 0.222 44 L C 1.383 178.233 176.870 -0.033 0.000 1.096 44 L CA -0.453 54.361 54.840 -0.044 0.000 0.857 44 L CB -0.126 41.922 42.059 -0.018 0.000 1.026 44 L HN 0.083 nan 8.230 nan 0.000 0.469 45 A N 0.132 122.921 122.820 -0.053 0.000 2.425 45 A HA 0.010 4.330 4.320 0.001 0.000 0.242 45 A C 0.765 178.338 177.584 -0.018 0.000 1.077 45 A CA -0.191 51.830 52.037 -0.027 0.000 0.781 45 A CB 0.214 19.188 19.000 -0.044 0.000 1.020 45 A HN 0.166 nan 8.150 nan 0.000 0.494 46 D N 0.430 120.829 120.400 -0.002 0.000 2.117 46 D HA -0.030 4.610 4.640 0.001 0.000 0.198 46 D C 0.286 176.588 176.300 0.003 0.000 0.982 46 D CA 1.456 55.457 54.000 0.002 0.000 0.828 46 D CB 0.277 41.082 40.800 0.008 0.000 0.967 46 D HN 0.745 nan 8.370 nan 0.000 0.464 47 E N -0.754 119.450 120.200 0.008 0.000 2.340 47 E HA 0.393 4.743 4.350 0.001 0.000 0.273 47 E C -0.739 175.873 176.600 0.020 0.000 0.891 47 E CA -0.563 55.845 56.400 0.013 0.000 0.757 47 E CB 2.568 32.279 29.700 0.018 0.000 1.231 47 E HN -0.040 nan 8.360 nan 0.000 0.439 48 T N -1.786 112.788 114.554 0.034 0.000 2.876 48 T HA 0.685 5.035 4.350 0.001 0.000 0.289 48 T C -0.808 173.930 174.700 0.063 0.000 1.014 48 T CA -0.714 61.435 62.100 0.081 0.000 0.986 48 T CB 1.281 70.221 68.868 0.120 0.000 1.021 48 T HN 0.144 nan 8.240 nan 0.000 0.458 49 V N 1.832 121.754 119.914 0.013 0.000 2.569 49 V HA 0.413 4.533 4.120 0.001 0.000 0.301 49 V C 0.221 176.075 176.094 -0.400 0.000 1.044 49 V CA -1.207 61.026 62.300 -0.113 0.000 0.874 49 V CB 1.452 33.220 31.823 -0.091 0.000 1.002 49 V HN 1.299 nan 8.190 nan 0.000 0.424 50 C N 6.910 125.931 119.300 -0.466 0.000 2.566 50 C HA 0.426 4.887 4.460 0.001 0.000 0.393 50 C C 1.650 176.416 174.990 -0.374 0.000 1.309 50 C CA -0.221 58.404 59.018 -0.655 0.000 1.801 50 C CB -1.258 26.276 27.740 -0.343 0.000 2.493 50 C HN 0.887 nan 8.230 nan 0.000 0.575 51 I N 4.402 124.734 120.570 -0.397 0.000 3.928 51 I HA 0.541 4.711 4.170 0.001 0.000 0.335 51 I C 0.804 176.772 176.117 -0.249 0.000 1.325 51 I CA 0.424 61.554 61.300 -0.284 0.000 1.107 51 I CB -0.563 37.263 38.000 -0.290 0.000 1.014 51 I HN 0.815 nan 8.210 nan 0.000 0.400 52 G N 1.448 110.103 108.800 -0.243 0.000 2.368 52 G HA2 0.146 4.106 3.960 0.001 0.000 0.302 52 G HA3 0.146 4.106 3.960 0.001 0.000 0.302 52 G C -3.316 171.484 174.900 -0.167 0.000 1.329 52 G CA -0.810 44.181 45.100 -0.181 0.000 0.935 52 G HN -0.084 nan 8.290 nan 0.000 0.590 53 P HA 0.379 nan 4.420 nan 0.000 0.275 53 P C 1.294 178.502 177.300 -0.154 0.000 1.270 53 P CA 0.789 63.814 63.100 -0.125 0.000 0.791 53 P CB 0.487 32.122 31.700 -0.108 0.000 1.089 54 A N 0.370 123.049 122.820 -0.235 0.000 1.873 54 A HA -0.071 4.250 4.320 0.001 0.000 0.218 54 A C -1.099 176.350 177.584 -0.225 0.000 1.193 54 A CA 1.553 53.362 52.037 -0.380 0.000 0.629 54 A CB -2.685 15.623 19.000 -1.155 0.000 0.826 54 A HN 0.540 nan 8.150 nan 0.000 0.447 55 P HA 0.139 nan 4.420 nan 0.000 0.265 55 P C 0.611 177.978 177.300 0.111 0.000 1.193 55 P CA 0.428 63.510 63.100 -0.029 0.000 0.765 55 P CB 0.819 32.503 31.700 -0.027 0.000 0.823 56 S N 1.956 117.829 115.700 0.288 0.000 2.387 56 S HA -0.153 4.317 4.470 0.001 0.000 0.230 56 S C 1.884 176.596 174.600 0.187 0.000 1.035 56 S CA 1.215 59.651 58.200 0.393 0.000 1.014 56 S CB -0.753 62.818 63.200 0.620 0.000 0.836 56 S HN 0.425 nan 8.310 nan 0.000 0.466 57 V N 1.712 121.702 119.914 0.128 0.000 2.568 57 V HA -0.152 3.968 4.120 0.001 0.000 0.253 57 V C 1.770 177.869 176.094 0.009 0.000 1.072 57 V CA 1.615 63.954 62.300 0.065 0.000 1.084 57 V CB -0.331 31.522 31.823 0.050 0.000 0.676 57 V HN 0.331 nan 8.190 nan 0.000 0.469 58 K N -0.050 120.341 120.400 -0.015 0.000 2.379 58 K HA 0.163 4.483 4.320 0.001 0.000 0.194 58 K C 1.674 178.201 176.600 -0.122 0.000 1.031 58 K CA 1.031 57.281 56.287 -0.062 0.000 1.037 58 K CB 0.519 32.978 32.500 -0.068 0.000 0.824 58 K HN 0.738 nan 8.250 nan 0.000 0.516 59 S N -1.136 114.468 115.700 -0.160 0.000 3.799 59 S HA 0.047 4.518 4.470 0.001 0.000 0.170 59 S C 1.640 176.010 174.600 -0.384 0.000 0.840 59 S CA -0.298 57.691 58.200 -0.352 0.000 1.025 59 S CB -0.593 62.271 63.200 -0.559 0.000 1.455 59 S HN 0.032 nan 8.310 nan 0.000 0.804 60 Y N 2.286 122.468 120.300 -0.195 0.000 2.497 60 Y HA 0.350 4.901 4.550 0.001 0.000 0.292 60 Y C 1.815 177.560 175.900 -0.258 0.000 1.137 60 Y CA 0.535 58.399 58.100 -0.393 0.000 1.285 60 Y CB -0.482 37.406 38.460 -0.953 0.000 0.991 60 Y HN 0.239 nan 8.280 nan 0.000 0.556 61 L N -0.380 120.852 121.223 0.016 0.000 2.693 61 L HA 0.133 4.473 4.340 0.001 0.000 0.235 61 L C 0.514 177.341 176.870 -0.071 0.000 1.127 61 L CA -0.120 54.724 54.840 0.007 0.000 0.914 61 L CB -0.017 42.110 42.059 0.113 0.000 1.193 61 L HN -0.006 nan 8.230 nan 0.000 0.502 62 N N 1.409 120.048 118.700 -0.103 0.000 2.555 62 N HA 0.171 4.912 4.740 0.001 0.000 0.244 62 N C 1.004 176.456 175.510 -0.096 0.000 1.114 62 N CA 0.098 53.094 53.050 -0.089 0.000 0.963 62 N CB 0.518 38.946 38.487 -0.098 0.000 1.276 62 N HN 0.166 nan 8.380 nan 0.000 0.510 63 I N 3.928 124.458 120.570 -0.068 0.000 2.127 63 I HA -0.205 3.966 4.170 0.001 0.000 0.241 63 I C -0.686 175.468 176.117 0.061 0.000 1.075 63 I CA 1.102 62.407 61.300 0.007 0.000 1.334 63 I CB -1.013 37.056 38.000 0.114 0.000 1.040 63 I HN 0.400 nan 8.210 nan 0.000 0.405 64 P HA -0.203 nan 4.420 nan 0.000 0.216 64 P C 1.500 178.804 177.300 0.006 0.000 1.153 64 P CA 2.006 65.124 63.100 0.031 0.000 0.858 64 P CB -0.066 31.643 31.700 0.016 0.000 0.789 65 A N -0.779 122.024 122.820 -0.028 0.000 1.902 65 A HA -0.193 4.127 4.320 0.001 0.000 0.217 65 A C 2.229 179.777 177.584 -0.060 0.000 1.181 65 A CA 1.607 53.609 52.037 -0.058 0.000 0.623 65 A CB -1.639 17.302 19.000 -0.099 0.000 0.818 65 A HN 0.120 nan 8.150 nan 0.000 0.443 66 I N -0.123 120.415 120.570 -0.052 0.000 2.202 66 I HA -0.215 3.956 4.170 0.001 0.000 0.242 66 I C 2.179 178.279 176.117 -0.029 0.000 1.091 66 I CA 0.817 62.094 61.300 -0.038 0.000 1.368 66 I CB -0.290 37.702 38.000 -0.014 0.000 1.058 66 I HN 0.234 nan 8.210 nan 0.000 0.410 67 I N 0.280 120.860 120.570 0.016 0.000 2.179 67 I HA -0.295 3.876 4.170 0.001 0.000 0.242 67 I C 2.806 178.924 176.117 0.002 0.000 1.088 67 I CA 1.537 62.823 61.300 -0.023 0.000 1.357 67 I CB -1.401 36.645 38.000 0.076 0.000 1.051 67 I HN 0.241 nan 8.210 nan 0.000 0.409 68 S N 0.749 116.461 115.700 0.020 0.000 2.370 68 S HA -0.191 4.279 4.470 0.001 0.000 0.226 68 S C 2.237 176.845 174.600 0.013 0.000 1.033 68 S CA 1.698 59.914 58.200 0.027 0.000 1.011 68 S CB -0.184 63.020 63.200 0.006 0.000 0.852 68 S HN 0.487 nan 8.310 nan 0.000 0.457 69 A N 1.210 124.015 122.820 -0.024 0.000 1.902 69 A HA 0.217 4.537 4.320 0.001 0.000 0.217 69 A C 2.472 180.045 177.584 -0.018 0.000 1.181 69 A CA 1.848 53.866 52.037 -0.032 0.000 0.623 69 A CB -1.354 17.609 19.000 -0.062 0.000 0.818 69 A HN 0.791 nan 8.150 nan 0.000 0.443 70 A N -0.336 122.439 122.820 -0.074 0.000 1.933 70 A HA -0.146 4.175 4.320 0.001 0.000 0.218 70 A C 1.918 179.614 177.584 0.187 0.000 1.175 70 A CA 1.657 53.626 52.037 -0.112 0.000 0.628 70 A CB -0.438 18.157 19.000 -0.674 0.000 0.814 70 A HN 0.643 nan 8.150 nan 0.000 0.444 71 E N -0.126 120.226 120.200 0.254 0.000 2.028 71 E HA -0.148 4.202 4.350 0.001 0.000 0.191 71 E C 2.001 178.691 176.600 0.150 0.000 0.988 71 E CA 1.459 58.042 56.400 0.304 0.000 0.799 71 E CB -0.376 29.465 29.700 0.236 0.000 0.755 71 E HN 0.875 nan 8.360 nan 0.000 0.447 72 I N -0.371 120.253 120.570 0.091 0.000 2.394 72 I HA -0.130 4.040 4.170 0.001 0.000 0.251 72 I C 2.304 178.451 176.117 0.050 0.000 1.136 72 I CA 1.540 62.873 61.300 0.054 0.000 1.425 72 I CB -0.628 37.389 38.000 0.029 0.000 1.079 72 I HN -0.014 nan 8.210 nan 0.000 0.425 73 T N -1.780 112.809 114.554 0.059 0.000 3.100 73 T HA 0.342 4.693 4.350 0.001 0.000 0.253 73 T C 1.602 176.342 174.700 0.067 0.000 1.118 73 T CA 0.351 62.482 62.100 0.051 0.000 1.058 73 T CB -0.143 68.750 68.868 0.041 0.000 0.953 73 T HN 0.769 nan 8.240 nan 0.000 0.515 74 G N 1.410 110.267 108.800 0.096 0.000 2.176 74 G HA2 -0.023 3.938 3.960 0.001 0.000 0.252 74 G HA3 -0.023 3.938 3.960 0.001 0.000 0.252 74 G C 0.268 175.241 174.900 0.121 0.000 1.024 74 G CA -0.061 45.095 45.100 0.093 0.000 0.755 74 G HN 1.146 nan 8.290 nan 0.000 0.507 75 A N -0.868 122.064 122.820 0.186 0.000 2.406 75 A HA 0.723 5.043 4.320 0.001 0.000 0.243 75 A C 1.675 179.445 177.584 0.310 0.000 1.082 75 A CA 0.700 52.856 52.037 0.199 0.000 0.786 75 A CB 0.848 19.935 19.000 0.145 0.000 1.029 75 A HN 1.618 nan 8.150 nan 0.000 0.495 76 V N -2.656 117.395 119.914 0.229 0.000 3.645 76 V HA 0.631 4.752 4.120 0.001 0.000 0.275 76 V C 0.566 176.835 176.094 0.292 0.000 1.356 76 V CA 0.782 63.210 62.300 0.213 0.000 1.051 76 V CB -0.966 30.903 31.823 0.077 0.000 0.828 76 V HN 1.651 nan 8.190 nan 0.000 0.441 77 A N 0.127 123.090 122.820 0.237 0.000 2.606 77 A HA 0.876 5.196 4.320 0.001 0.000 0.293 77 A C -1.299 176.305 177.584 0.033 0.000 1.082 77 A CA -0.625 51.491 52.037 0.131 0.000 0.685 77 A CB 1.758 20.787 19.000 0.049 0.000 1.284 77 A HN 0.283 nan 8.150 nan 0.000 0.408 78 I N 1.902 122.457 120.570 -0.026 0.000 2.447 78 I HA 0.298 4.468 4.170 0.001 0.000 0.287 78 I C -0.882 175.182 176.117 -0.089 0.000 1.023 78 I CA -0.511 60.765 61.300 -0.040 0.000 1.083 78 I CB 1.903 39.882 38.000 -0.035 0.000 1.245 78 I HN 0.721 nan 8.210 nan 0.000 0.434 79 H N 8.627 127.624 119.070 -0.121 0.000 2.594 79 H HA 0.338 4.895 4.556 0.001 0.000 0.304 79 H C -2.055 173.208 175.328 -0.108 0.000 1.068 79 H CA -2.182 53.760 56.048 -0.178 0.000 1.308 79 H CB 2.061 31.733 29.762 -0.149 0.000 1.409 79 H HN 0.329 nan 8.280 nan 0.000 0.460 80 P HA 0.095 nan 4.420 nan 0.000 0.251 80 P C 0.838 178.235 177.300 0.160 0.000 1.223 80 P CA 0.950 64.174 63.100 0.207 0.000 0.796 80 P CB 0.830 32.709 31.700 0.299 0.000 1.068 81 G N 1.058 110.006 108.800 0.247 0.000 2.574 81 G HA2 -0.255 3.705 3.960 0.001 0.000 0.286 81 G HA3 -0.255 3.705 3.960 0.001 0.000 0.286 81 G C -0.547 174.395 174.900 0.069 0.000 1.212 81 G CA 0.502 45.591 45.100 -0.019 0.000 0.979 81 G HN 0.452 nan 8.290 nan 0.000 0.557 82 Y N -1.076 119.274 120.300 0.084 0.000 2.587 82 Y HA 0.708 5.258 4.550 0.001 0.000 0.337 82 Y C 1.025 176.964 175.900 0.066 0.000 1.065 82 Y CA -0.481 57.663 58.100 0.074 0.000 1.126 82 Y CB 0.805 39.291 38.460 0.044 0.000 1.279 82 Y HN 2.575 nan 8.280 nan 0.000 0.489 83 G N 1.246 110.230 108.800 0.307 0.000 2.601 83 G HA2 -0.269 3.692 3.960 0.001 0.000 0.252 83 G HA3 -0.269 3.692 3.960 0.001 0.000 0.252 83 G C 0.159 175.119 174.900 0.099 0.000 1.294 83 G CA 0.492 45.643 45.100 0.084 0.000 0.912 83 G HN 1.277 nan 8.290 nan 0.000 0.574 84 F N -1.781 118.207 119.950 0.064 0.000 2.766 84 F HA -0.328 4.199 4.527 0.001 0.000 0.232 84 F C 2.321 178.136 175.800 0.024 0.000 1.449 84 F CA 2.553 60.570 58.000 0.027 0.000 1.899 84 F CB -1.191 37.796 39.000 -0.022 0.000 0.502 84 F HN 0.430 nan 8.300 nan 0.000 0.307 85 L N 0.258 121.617 121.223 0.226 0.000 2.728 85 L HA 0.137 4.477 4.340 0.001 0.000 0.238 85 L C 1.876 178.929 176.870 0.304 0.000 1.143 85 L CA 0.620 55.525 54.840 0.108 0.000 0.937 85 L CB -0.168 41.687 42.059 -0.341 0.000 1.225 85 L HN 0.511 nan 8.230 nan 0.000 0.507 86 S N -0.628 115.253 115.700 0.302 0.000 2.423 86 S HA -0.136 4.335 4.470 0.001 0.000 0.231 86 S C 1.258 176.058 174.600 0.333 0.000 1.014 86 S CA 0.884 59.298 58.200 0.355 0.000 0.965 86 S CB -0.096 63.260 63.200 0.259 0.000 0.785 86 S HN 0.528 nan 8.310 nan 0.000 0.495 87 E N 1.054 121.395 120.200 0.234 0.000 2.651 87 E HA 0.228 4.578 4.350 0.001 0.000 0.208 87 E C -0.560 176.123 176.600 0.139 0.000 0.997 87 E CA -0.320 56.184 56.400 0.174 0.000 1.020 87 E CB 0.206 29.982 29.700 0.127 0.000 1.052 87 E HN 0.345 nan 8.360 nan 0.000 0.465 88 N N 1.247 120.049 118.700 0.171 0.000 2.439 88 N HA 0.115 4.855 4.740 0.001 0.000 0.243 88 N C 0.610 176.170 175.510 0.082 0.000 1.088 88 N CA 0.036 53.168 53.050 0.137 0.000 0.940 88 N CB 1.230 39.818 38.487 0.168 0.000 1.180 88 N HN 0.113 nan 8.380 nan 0.000 0.505 89 A N 4.415 127.251 122.820 0.027 0.000 1.933 89 A HA -0.178 4.142 4.320 0.001 0.000 0.218 89 A C 1.832 179.372 177.584 -0.073 0.000 1.175 89 A CA 1.203 53.212 52.037 -0.048 0.000 0.628 89 A CB -0.196 18.791 19.000 -0.023 0.000 0.814 89 A HN 0.653 nan 8.150 nan 0.000 0.444 90 N N -1.010 117.689 118.700 -0.002 0.000 2.166 90 N HA -0.116 4.624 4.740 0.001 0.000 0.186 90 N C 1.387 176.912 175.510 0.025 0.000 1.019 90 N CA 1.375 54.429 53.050 0.008 0.000 0.856 90 N CB -0.609 37.904 38.487 0.043 0.000 0.993 90 N HN 0.640 nan 8.380 nan 0.000 0.426 91 F N 1.421 121.310 119.950 -0.102 0.000 2.113 91 F HA -0.123 4.404 4.527 0.001 0.000 0.297 91 F C 2.187 177.826 175.800 -0.268 0.000 1.103 91 F CA 1.300 59.233 58.000 -0.111 0.000 1.248 91 F CB -0.130 38.849 39.000 -0.034 0.000 0.999 91 F HN 0.039 nan 8.300 nan 0.000 0.475 92 A N 0.062 122.466 122.820 -0.693 0.000 1.917 92 A HA -0.305 4.015 4.320 0.001 0.000 0.219 92 A C 2.157 179.330 177.584 -0.686 0.000 1.182 92 A CA 2.079 53.321 52.037 -1.326 0.000 0.633 92 A CB -1.120 17.060 19.000 -1.366 0.000 0.819 92 A HN 0.631 nan 8.150 nan 0.000 0.448 93 E N -1.061 118.910 120.200 -0.382 0.000 2.051 93 E HA -0.290 4.060 4.350 0.001 0.000 0.192 93 E C 2.210 178.709 176.600 -0.169 0.000 0.991 93 E CA 1.514 57.786 56.400 -0.214 0.000 0.799 93 E CB -0.142 29.482 29.700 -0.127 0.000 0.748 93 E HN 0.595 nan 8.360 nan 0.000 0.449 94 Q N 0.355 120.058 119.800 -0.162 0.000 2.079 94 Q HA -0.113 4.227 4.340 0.001 0.000 0.200 94 Q C 2.080 178.023 176.000 -0.094 0.000 0.974 94 Q CA 1.583 57.335 55.803 -0.085 0.000 0.840 94 Q CB -0.285 28.447 28.738 -0.010 0.000 0.898 94 Q HN 0.223 nan 8.270 nan 0.000 0.430 95 V N 0.999 120.755 119.914 -0.262 0.000 2.252 95 V HA -0.304 3.816 4.120 0.001 0.000 0.249 95 V C 2.130 178.257 176.094 0.056 0.000 1.056 95 V CA 2.425 64.630 62.300 -0.157 0.000 1.022 95 V CB -0.592 31.029 31.823 -0.337 0.000 0.641 95 V HN 0.469 nan 8.190 nan 0.000 0.445 96 E N -0.508 119.669 120.200 -0.038 0.000 2.106 96 E HA -0.178 4.172 4.350 0.001 0.000 0.192 96 E C 2.482 179.076 176.600 -0.010 0.000 0.984 96 E CA 0.832 57.230 56.400 -0.004 0.000 0.806 96 E CB -0.173 29.501 29.700 -0.043 0.000 0.750 96 E HN 0.515 nan 8.360 nan 0.000 0.458 97 R N 0.424 120.911 120.500 -0.022 0.000 2.096 97 R HA -0.043 4.297 4.340 0.001 0.000 0.235 97 R C 2.135 178.436 176.300 0.002 0.000 1.127 97 R CA 1.159 57.250 56.100 -0.015 0.000 0.968 97 R CB -0.065 30.226 30.300 -0.016 0.000 0.861 97 R HN -0.020 nan 8.270 nan 0.000 0.440 98 S N -0.808 114.925 115.700 0.055 0.000 2.607 98 S HA 0.090 4.560 4.470 0.001 0.000 0.224 98 S C 1.074 175.615 174.600 -0.097 0.000 0.969 98 S CA 0.713 58.962 58.200 0.080 0.000 0.927 98 S CB 0.822 64.190 63.200 0.279 0.000 0.772 98 S HN 0.681 nan 8.310 nan 0.000 0.533 99 G N 0.696 109.431 108.800 -0.109 0.000 2.141 99 G HA2 -0.227 3.733 3.960 0.001 0.000 0.231 99 G HA3 -0.227 3.733 3.960 0.001 0.000 0.231 99 G C -0.080 174.619 174.900 -0.336 0.000 0.984 99 G CA -0.478 44.478 45.100 -0.241 0.000 0.660 99 G HN 0.423 nan 8.290 nan 0.000 0.525 100 F N 0.241 120.176 119.950 -0.025 0.000 2.403 100 F HA 0.689 5.217 4.527 0.001 0.000 0.326 100 F C 1.225 177.017 175.800 -0.013 0.000 1.081 100 F CA -1.168 56.822 58.000 -0.017 0.000 1.041 100 F CB 0.880 39.872 39.000 -0.013 0.000 1.234 100 F HN -0.060 nan 8.300 nan 0.000 0.503 101 I N 2.401 123.086 120.570 0.192 0.000 2.471 101 I HA 0.039 4.209 4.170 0.001 0.000 0.286 101 I C -0.483 175.705 176.117 0.118 0.000 1.079 101 I CA -0.070 61.294 61.300 0.107 0.000 1.398 101 I CB 0.409 38.436 38.000 0.045 0.000 1.403 101 I HN 0.421 nan 8.210 nan 0.000 0.530 102 F N 7.592 127.502 119.950 -0.067 0.000 2.411 102 F HA 0.440 4.967 4.527 0.001 0.000 0.355 102 F C 0.273 175.992 175.800 -0.136 0.000 1.117 102 F CA -0.592 57.332 58.000 -0.127 0.000 1.139 102 F CB 0.599 39.498 39.000 -0.169 0.000 1.120 102 F HN 0.268 nan 8.300 nan 0.000 0.493 103 I N 7.340 127.460 120.570 -0.751 0.000 2.278 103 I HA 0.406 4.577 4.170 0.001 0.000 0.300 103 I C 0.588 176.160 176.117 -0.908 0.000 1.174 103 I CA 0.360 61.241 61.300 -0.697 0.000 1.347 103 I CB -0.874 36.715 38.000 -0.684 0.000 1.473 103 I HN 0.807 nan 8.210 nan 0.000 0.595 104 G N 6.412 114.890 108.800 -0.536 0.000 2.333 104 G HA2 0.259 4.219 3.960 0.001 0.000 0.288 104 G HA3 0.259 4.219 3.960 0.001 0.000 0.288 104 G C -3.332 171.543 174.900 -0.041 0.000 1.286 104 G CA -0.747 44.188 45.100 -0.276 0.000 0.865 104 G HN 0.145 nan 8.290 nan 0.000 0.506 105 P HA 0.348 nan 4.420 nan 0.000 0.277 105 P C -0.497 176.796 177.300 -0.012 0.000 1.271 105 P CA -0.543 62.445 63.100 -0.186 0.000 0.795 105 P CB 0.529 32.030 31.700 -0.332 0.000 1.101 106 K N 0.221 120.575 120.400 -0.078 0.000 2.414 106 K HA 0.120 4.441 4.320 0.001 0.000 0.272 106 K C 1.497 178.055 176.600 -0.071 0.000 0.993 106 K CA 0.222 56.473 56.287 -0.059 0.000 0.964 106 K CB 0.116 32.584 32.500 -0.054 0.000 0.925 106 K HN 0.473 nan 8.250 nan 0.000 0.487 107 A N 3.602 126.352 122.820 -0.117 0.000 1.917 107 A HA -0.201 4.119 4.320 0.001 0.000 0.219 107 A C 1.718 179.266 177.584 -0.060 0.000 1.182 107 A CA 1.503 53.463 52.037 -0.129 0.000 0.633 107 A CB -0.188 18.719 19.000 -0.155 0.000 0.819 107 A HN 0.757 nan 8.150 nan 0.000 0.448 108 E N -0.552 119.623 120.200 -0.042 0.000 2.204 108 E HA -0.108 4.242 4.350 0.001 0.000 0.194 108 E C 2.071 178.674 176.600 0.004 0.000 0.989 108 E CA 1.559 57.948 56.400 -0.017 0.000 0.824 108 E CB -0.554 29.137 29.700 -0.015 0.000 0.756 108 E HN 0.670 nan 8.360 nan 0.000 0.477 109 T N 1.615 116.176 114.554 0.012 0.000 2.777 109 T HA -0.050 4.301 4.350 0.001 0.000 0.266 109 T C 2.150 176.894 174.700 0.074 0.000 1.040 109 T CA 0.666 62.800 62.100 0.056 0.000 1.141 109 T CB -0.138 68.771 68.868 0.068 0.000 0.868 109 T HN 0.108 nan 8.240 nan 0.000 0.444 110 I N 1.826 122.426 120.570 0.050 0.000 2.163 110 I HA -0.258 3.912 4.170 0.001 0.000 0.243 110 I C 2.785 178.928 176.117 0.042 0.000 1.085 110 I CA 1.533 62.868 61.300 0.060 0.000 1.347 110 I CB -0.400 37.623 38.000 0.039 0.000 1.044 110 I HN 0.295 nan 8.210 nan 0.000 0.408 111 R N 0.690 121.203 120.500 0.021 0.000 2.115 111 R HA -0.122 4.219 4.340 0.001 0.000 0.226 111 R C 2.269 178.580 176.300 0.018 0.000 1.100 111 R CA 0.921 57.031 56.100 0.017 0.000 0.980 111 R CB -0.832 29.473 30.300 0.008 0.000 0.875 111 R HN 0.236 nan 8.270 nan 0.000 0.445 112 L N 0.965 122.201 121.223 0.022 0.000 1.989 112 L HA -0.076 4.264 4.340 0.001 0.000 0.211 112 L C 1.920 178.805 176.870 0.025 0.000 1.071 112 L CA 1.875 56.727 54.840 0.020 0.000 0.749 112 L CB -0.222 41.853 42.059 0.026 0.000 0.890 112 L HN 0.158 nan 8.230 nan 0.000 0.431 113 M N -1.010 118.615 119.600 0.042 0.000 2.556 113 M HA 0.198 4.678 4.480 0.001 0.000 0.245 113 M C 1.970 178.294 176.300 0.040 0.000 1.128 113 M CA 0.859 56.189 55.300 0.050 0.000 1.069 113 M CB -1.511 31.118 32.600 0.049 0.000 1.469 113 M HN 0.389 nan 8.290 nan 0.000 0.494 114 G N -0.147 108.670 108.800 0.030 0.000 2.777 114 G HA2 -0.069 3.892 3.960 0.001 0.000 0.211 114 G HA3 -0.069 3.892 3.960 0.001 0.000 0.211 114 G C -0.079 174.818 174.900 -0.005 0.000 1.149 114 G CA -0.006 45.104 45.100 0.016 0.000 0.785 114 G HN 0.431 nan 8.290 nan 0.000 0.536 115 D N -0.669 119.729 120.400 -0.004 0.000 2.303 115 D HA 0.345 4.985 4.640 0.001 0.000 0.236 115 D C 1.403 177.683 176.300 -0.034 0.000 1.068 115 D CA -0.548 53.439 54.000 -0.021 0.000 0.830 115 D CB 1.130 41.921 40.800 -0.015 0.000 1.109 115 D HN -0.082 nan 8.370 nan 0.000 0.496 116 K N 2.025 122.392 120.400 -0.054 0.000 2.057 116 K HA -0.090 4.230 4.320 0.001 0.000 0.207 116 K C 1.734 178.184 176.600 -0.250 0.000 1.049 116 K CA 0.849 57.074 56.287 -0.103 0.000 0.931 116 K CB 0.006 32.480 32.500 -0.042 0.000 0.714 116 K HN 0.323 nan 8.250 nan 0.000 0.440 117 V N 1.856 121.586 119.914 -0.306 0.000 2.287 117 V HA -0.282 3.838 4.120 0.001 0.000 0.248 117 V C 2.579 178.585 176.094 -0.146 0.000 1.053 117 V CA 2.347 64.465 62.300 -0.303 0.000 1.027 117 V CB -0.604 31.111 31.823 -0.180 0.000 0.646 117 V HN 0.463 nan 8.190 nan 0.000 0.447 118 S N 0.715 116.365 115.700 -0.083 0.000 2.402 118 S HA -0.089 4.381 4.470 0.001 0.000 0.229 118 S C 2.076 176.654 174.600 -0.037 0.000 1.021 118 S CA 1.225 59.397 58.200 -0.047 0.000 0.974 118 S CB -0.434 62.750 63.200 -0.026 0.000 0.800 118 S HN 0.559 nan 8.310 nan 0.000 0.484 119 A N 2.219 125.029 122.820 -0.016 0.000 1.877 119 A HA 0.098 4.419 4.320 0.001 0.000 0.216 119 A C 2.230 179.808 177.584 -0.009 0.000 1.186 119 A CA 1.480 53.535 52.037 0.030 0.000 0.620 119 A CB -0.902 18.182 19.000 0.141 0.000 0.822 119 A HN 0.565 nan 8.150 nan 0.000 0.443 120 I N -0.113 120.488 120.570 0.052 0.000 2.208 120 I HA -0.301 3.870 4.170 0.001 0.000 0.245 120 I C 2.969 179.049 176.117 -0.062 0.000 1.097 120 I CA 1.074 62.399 61.300 0.041 0.000 1.363 120 I CB -0.345 37.674 38.000 0.031 0.000 1.051 120 I HN 0.363 nan 8.210 nan 0.000 0.413 121 A N 0.740 123.522 122.820 -0.063 0.000 1.908 121 A HA -0.202 4.118 4.320 0.001 0.000 0.218 121 A C 2.538 180.080 177.584 -0.070 0.000 1.181 121 A CA 2.015 54.018 52.037 -0.056 0.000 0.627 121 A CB -0.879 18.093 19.000 -0.046 0.000 0.818 121 A HN 0.444 nan 8.150 nan 0.000 0.445 122 A N -1.212 121.558 122.820 -0.083 0.000 1.930 122 A HA -0.070 4.251 4.320 0.001 0.000 0.217 122 A C 2.151 179.651 177.584 -0.141 0.000 1.175 122 A CA 1.888 53.872 52.037 -0.088 0.000 0.627 122 A CB -0.414 18.546 19.000 -0.066 0.000 0.815 122 A HN 0.429 nan 8.150 nan 0.000 0.443 123 M N -0.514 118.940 119.600 -0.243 0.000 2.156 123 M HA -0.033 4.448 4.480 0.001 0.000 0.264 123 M C 2.049 178.228 176.300 -0.202 0.000 1.067 123 M CA 1.560 56.650 55.300 -0.349 0.000 1.131 123 M CB -1.133 30.980 32.600 -0.812 0.000 1.368 123 M HN 0.501 nan 8.290 nan 0.000 0.416 124 K N 0.605 120.928 120.400 -0.128 0.000 2.057 124 K HA -0.203 4.117 4.320 0.001 0.000 0.207 124 K C 2.138 178.703 176.600 -0.058 0.000 1.049 124 K CA 1.472 57.724 56.287 -0.058 0.000 0.931 124 K CB -0.018 32.469 32.500 -0.021 0.000 0.714 124 K HN 0.171 nan 8.250 nan 0.000 0.440 125 K N -0.015 120.346 120.400 -0.064 0.000 2.097 125 K HA -0.106 4.215 4.320 0.001 0.000 0.206 125 K C 1.776 178.338 176.600 -0.065 0.000 1.049 125 K CA 1.272 57.528 56.287 -0.053 0.000 0.933 125 K CB -0.119 32.353 32.500 -0.046 0.000 0.717 125 K HN 0.200 nan 8.250 nan 0.000 0.442 126 A N -0.065 122.702 122.820 -0.089 0.000 2.119 126 A HA 0.109 4.429 4.320 0.001 0.000 0.217 126 A C 1.431 178.944 177.584 -0.117 0.000 1.153 126 A CA 1.228 53.204 52.037 -0.101 0.000 0.692 126 A CB -0.378 18.549 19.000 -0.122 0.000 0.799 126 A HN 0.603 nan 8.150 nan 0.000 0.458 127 G N -2.211 106.523 108.800 -0.109 0.000 2.163 127 G HA2 -0.157 3.803 3.960 0.001 0.000 0.213 127 G HA3 -0.157 3.803 3.960 0.001 0.000 0.213 127 G C 0.083 174.905 174.900 -0.131 0.000 0.991 127 G CA -0.017 45.017 45.100 -0.110 0.000 0.653 127 G HN 0.733 nan 8.290 nan 0.000 0.518 128 V N 3.331 123.161 119.914 -0.140 0.000 2.488 128 V HA 0.403 4.523 4.120 0.001 0.000 0.277 128 V C -1.215 174.892 176.094 0.022 0.000 1.046 128 V CA -1.235 61.002 62.300 -0.105 0.000 0.986 128 V CB 1.241 32.952 31.823 -0.187 0.000 0.989 128 V HN 0.250 nan 8.190 nan 0.000 0.475 129 P HA 0.168 nan 4.420 nan 0.000 0.267 129 P C -0.557 176.927 177.300 0.307 0.000 1.209 129 P CA -0.015 63.183 63.100 0.165 0.000 0.763 129 P CB 0.565 32.340 31.700 0.125 0.000 0.816 130 C N 2.497 121.970 119.300 0.288 0.000 2.668 130 C HA 0.432 4.893 4.460 0.001 0.000 0.355 130 C C 0.458 175.710 174.990 0.438 0.000 1.277 130 C CA -0.673 58.571 59.018 0.376 0.000 1.787 130 C CB 1.859 29.760 27.740 0.267 0.000 2.233 130 C HN 0.356 nan 8.230 nan 0.000 0.495 131 V N 2.918 123.058 119.914 0.378 0.000 2.521 131 V HA 0.156 4.276 4.120 0.001 0.000 0.286 131 V C -2.064 174.130 176.094 0.168 0.000 1.034 131 V CA -0.677 61.764 62.300 0.234 0.000 1.045 131 V CB -0.041 31.841 31.823 0.100 0.000 0.974 131 V HN 0.757 nan 8.190 nan 0.000 0.480 132 P HA 0.296 nan 4.420 nan 0.000 0.261 132 P C 0.338 177.677 177.300 0.065 0.000 1.183 132 P CA 0.775 63.927 63.100 0.086 0.000 0.761 132 P CB 0.453 32.185 31.700 0.054 0.000 0.785 133 G N 0.744 109.588 108.800 0.073 0.000 2.634 133 G HA2 0.332 4.292 3.960 0.001 0.000 0.309 133 G HA3 0.332 4.292 3.960 0.001 0.000 0.309 133 G C 0.721 175.662 174.900 0.068 0.000 1.299 133 G CA -0.008 45.141 45.100 0.081 0.000 0.798 133 G HN 0.300 nan 8.290 nan 0.000 0.490 134 S N -0.604 115.149 115.700 0.089 0.000 2.453 134 S HA 0.032 4.502 4.470 0.001 0.000 0.231 134 S C 0.573 175.207 174.600 0.056 0.000 1.005 134 S CA 1.414 59.654 58.200 0.068 0.000 0.949 134 S CB -0.189 63.064 63.200 0.088 0.000 0.774 134 S HN 0.667 nan 8.310 nan 0.000 0.510 135 D N 1.733 122.167 120.400 0.056 0.000 2.697 135 D HA -0.041 4.599 4.640 0.001 0.000 0.238 135 D C 0.355 176.663 176.300 0.013 0.000 1.152 135 D CA 1.442 55.457 54.000 0.024 0.000 0.666 135 D CB -1.634 39.180 40.800 0.023 0.000 1.037 135 D HN 0.904 nan 8.370 nan 0.000 0.423 136 G N -0.771 108.039 108.800 0.017 0.000 2.352 136 G HA2 0.326 4.286 3.960 0.001 0.000 0.302 136 G HA3 0.326 4.286 3.960 0.001 0.000 0.302 136 G C -3.188 171.748 174.900 0.059 0.000 1.370 136 G CA -0.839 44.273 45.100 0.019 0.000 0.918 136 G HN -0.010 nan 8.290 nan 0.000 0.610 137 P HA 0.432 nan 4.420 nan 0.000 0.272 137 P C -0.267 177.077 177.300 0.074 0.000 1.223 137 P CA -0.229 62.921 63.100 0.082 0.000 0.784 137 P CB 0.960 32.695 31.700 0.058 0.000 0.923 138 L N 1.422 122.692 121.223 0.079 0.000 2.289 138 L HA 0.479 4.819 4.340 0.001 0.000 0.285 138 L C 1.420 178.316 176.870 0.044 0.000 1.049 138 L CA -0.367 54.507 54.840 0.056 0.000 0.804 138 L CB 1.022 43.112 42.059 0.051 0.000 1.195 138 L HN 0.481 nan 8.230 nan 0.000 0.428 139 G N 0.939 109.760 108.800 0.035 0.000 2.510 139 G HA2 0.122 4.082 3.960 0.001 0.000 0.280 139 G HA3 0.122 4.082 3.960 0.001 0.000 0.280 139 G C 0.200 175.116 174.900 0.026 0.000 1.386 139 G CA -0.322 44.795 45.100 0.029 0.000 1.047 139 G HN 0.654 nan 8.290 nan 0.000 0.527 140 D N -0.811 119.602 120.400 0.023 0.000 2.333 140 D HA -0.000 4.640 4.640 0.001 0.000 0.208 140 D C 0.212 176.523 176.300 0.019 0.000 0.984 140 D CA 0.271 54.283 54.000 0.020 0.000 0.873 140 D CB 0.189 41.000 40.800 0.018 0.000 0.935 140 D HN 0.258 nan 8.370 nan 0.000 0.521 141 D N 0.837 121.249 120.400 0.019 0.000 2.382 141 D HA -0.033 4.608 4.640 0.001 0.000 0.259 141 D C 1.325 177.637 176.300 0.021 0.000 1.224 141 D CA -0.005 54.006 54.000 0.019 0.000 0.894 141 D CB 0.657 41.468 40.800 0.018 0.000 1.127 141 D HN -0.236 nan 8.370 nan 0.000 0.487 142 M N 2.411 122.023 119.600 0.021 0.000 2.319 142 M HA -0.078 4.402 4.480 0.001 0.000 0.265 142 M C 1.045 177.361 176.300 0.027 0.000 1.068 142 M CA 0.870 56.184 55.300 0.024 0.000 1.118 142 M CB -0.440 32.173 32.600 0.022 0.000 1.395 142 M HN 0.389 nan 8.290 nan 0.000 0.435 143 D N 0.619 121.033 120.400 0.023 0.000 2.117 143 D HA -0.110 4.530 4.640 0.001 0.000 0.198 143 D C 2.030 178.344 176.300 0.023 0.000 0.982 143 D CA 1.162 55.176 54.000 0.023 0.000 0.828 143 D CB -0.099 40.712 40.800 0.019 0.000 0.967 143 D HN 0.339 nan 8.370 nan 0.000 0.464 144 K N 0.280 120.692 120.400 0.021 0.000 2.057 144 K HA -0.045 4.276 4.320 0.001 0.000 0.206 144 K C 1.737 178.348 176.600 0.019 0.000 1.050 144 K CA 0.684 56.983 56.287 0.019 0.000 0.935 144 K CB 0.044 32.556 32.500 0.019 0.000 0.715 144 K HN 0.024 nan 8.250 nan 0.000 0.439 145 N N 0.833 119.547 118.700 0.023 0.000 2.223 145 N HA -0.148 4.592 4.740 0.001 0.000 0.185 145 N C 1.656 177.181 175.510 0.026 0.000 1.016 145 N CA 0.987 54.051 53.050 0.024 0.000 0.863 145 N CB -0.094 38.410 38.487 0.030 0.000 0.983 145 N HN 0.175 nan 8.380 nan 0.000 0.429 146 R N 0.507 121.030 120.500 0.038 0.000 2.090 146 R HA 0.097 4.438 4.340 0.001 0.000 0.228 146 R C 1.948 178.268 176.300 0.032 0.000 1.110 146 R CA 1.068 57.202 56.100 0.057 0.000 0.973 146 R CB -0.078 30.260 30.300 0.063 0.000 0.869 146 R HN 0.165 nan 8.270 nan 0.000 0.440 147 A N 0.687 123.519 122.820 0.020 0.000 1.969 147 A HA -0.091 4.230 4.320 0.001 0.000 0.218 147 A C 2.033 179.610 177.584 -0.012 0.000 1.169 147 A CA 0.987 53.030 52.037 0.009 0.000 0.635 147 A CB -0.357 18.650 19.000 0.012 0.000 0.810 147 A HN 0.284 nan 8.150 nan 0.000 0.445 148 I N -0.187 120.374 120.570 -0.016 0.000 2.142 148 I HA -0.283 3.887 4.170 0.001 0.000 0.240 148 I C 2.973 179.039 176.117 -0.085 0.000 1.078 148 I CA 1.169 62.450 61.300 -0.031 0.000 1.343 148 I CB -0.328 37.665 38.000 -0.012 0.000 1.046 148 I HN 0.339 nan 8.210 nan 0.000 0.405 149 A N 0.517 123.254 122.820 -0.138 0.000 1.972 149 A HA -0.220 4.101 4.320 0.001 0.000 0.219 149 A C 2.296 179.640 177.584 -0.400 0.000 1.169 149 A CA 1.616 53.442 52.037 -0.353 0.000 0.635 149 A CB -0.436 18.279 19.000 -0.474 0.000 0.810 149 A HN 0.342 nan 8.150 nan 0.000 0.446 150 K N -0.953 119.340 120.400 -0.178 0.000 2.155 150 K HA -0.082 4.238 4.320 0.001 0.000 0.203 150 K C 2.347 178.912 176.600 -0.058 0.000 1.052 150 K CA 1.099 57.341 56.287 -0.074 0.000 0.948 150 K CB -0.122 32.387 32.500 0.015 0.000 0.728 150 K HN 0.486 nan 8.250 nan 0.000 0.448 151 R N 1.326 121.793 120.500 -0.056 0.000 2.066 151 R HA -0.087 4.253 4.340 0.001 0.000 0.232 151 R C 2.103 178.379 176.300 -0.039 0.000 1.131 151 R CA 1.299 57.380 56.100 -0.032 0.000 0.955 151 R CB -0.167 30.122 30.300 -0.019 0.000 0.851 151 R HN 0.104 nan 8.270 nan 0.000 0.432 152 I N -0.042 120.486 120.570 -0.070 0.000 2.286 152 I HA 0.066 4.237 4.170 0.001 0.000 0.245 152 I C 0.892 176.965 176.117 -0.073 0.000 1.104 152 I CA 0.852 62.113 61.300 -0.064 0.000 1.397 152 I CB -0.311 37.642 38.000 -0.077 0.000 1.072 152 I HN 0.438 nan 8.210 nan 0.000 0.417 153 G N 0.356 109.078 108.800 -0.131 0.000 3.209 153 G HA2 -0.192 3.768 3.960 0.001 0.000 0.686 153 G HA3 -0.192 3.768 3.960 0.001 0.000 0.686 153 G C -0.719 174.122 174.900 -0.099 0.000 1.065 153 G CA -1.007 44.041 45.100 -0.085 0.000 0.812 153 G HN 0.048 nan 8.290 nan 0.000 0.573 154 Y N 2.520 122.832 120.300 0.019 0.000 2.480 154 Y HA 0.407 4.957 4.550 0.001 0.000 0.338 154 Y C -0.436 175.483 175.900 0.032 0.000 1.220 154 Y CA -0.307 57.806 58.100 0.021 0.000 1.430 154 Y CB 0.393 38.858 38.460 0.008 0.000 1.311 154 Y HN 0.571 nan 8.280 nan 0.000 0.575 155 P HA 0.343 nan 4.420 nan 0.000 0.277 155 P C -1.089 176.326 177.300 0.191 0.000 1.240 155 P CA -0.359 62.896 63.100 0.260 0.000 0.798 155 P CB 1.471 33.290 31.700 0.198 0.000 0.979 156 V N -0.497 119.513 119.914 0.160 0.000 3.126 156 V HA 0.701 4.822 4.120 0.001 0.000 0.314 156 V C -0.506 175.633 176.094 0.076 0.000 1.138 156 V CA -1.135 61.212 62.300 0.079 0.000 1.034 156 V CB 2.104 33.886 31.823 -0.067 0.000 1.075 156 V HN 0.566 nan 8.190 nan 0.000 0.442 157 I N 1.577 122.192 120.570 0.074 0.000 2.545 157 I HA 0.573 4.743 4.170 0.001 0.000 0.292 157 I C -1.268 174.821 176.117 -0.047 0.000 1.040 157 I CA -0.961 60.361 61.300 0.036 0.000 1.068 157 I CB 1.821 39.922 38.000 0.168 0.000 1.251 157 I HN 0.578 nan 8.210 nan 0.000 0.424 158 I N 6.803 127.326 120.570 -0.080 0.000 2.353 158 I HA 0.417 4.587 4.170 0.001 0.000 0.293 158 I C -0.255 175.725 176.117 -0.227 0.000 0.992 158 I CA -0.466 60.748 61.300 -0.143 0.000 1.268 158 I CB 0.989 38.940 38.000 -0.081 0.000 1.387 158 I HN 0.527 nan 8.210 nan 0.000 0.478 159 K N 3.851 123.975 120.400 -0.460 0.000 2.422 159 K HA 0.710 5.031 4.320 0.001 0.000 0.251 159 K C -0.627 175.702 176.600 -0.451 0.000 0.933 159 K CA -0.756 55.204 56.287 -0.545 0.000 0.798 159 K CB 2.779 34.764 32.500 -0.859 0.000 1.238 159 K HN 0.705 nan 8.250 nan 0.000 0.428 160 A N 1.237 123.948 122.820 -0.183 0.000 2.450 160 A HA 0.088 4.408 4.320 0.001 0.000 0.255 160 A C 1.183 178.800 177.584 0.055 0.000 1.096 160 A CA 0.002 52.008 52.037 -0.051 0.000 0.778 160 A CB 0.858 19.833 19.000 -0.042 0.000 1.031 160 A HN 0.786 nan 8.150 nan 0.000 0.494 161 S N 2.218 118.013 115.700 0.158 0.000 2.383 161 S HA -0.040 4.430 4.470 0.001 0.000 0.227 161 S C 1.653 176.245 174.600 -0.014 0.000 1.026 161 S CA 1.767 60.075 58.200 0.182 0.000 0.981 161 S CB -0.260 63.022 63.200 0.135 0.000 0.818 161 S HN 1.076 nan 8.310 nan 0.000 0.472 162 G N 0.052 108.780 108.800 -0.120 0.000 3.141 162 G HA2 0.477 4.438 3.960 0.001 0.000 0.218 162 G HA3 0.477 4.438 3.960 0.001 0.000 0.218 162 G C 0.481 174.938 174.900 -0.739 0.000 1.170 162 G CA 0.228 45.178 45.100 -0.249 0.000 0.769 162 G HN 0.599 nan 8.290 nan 0.000 0.546 163 G N -1.056 107.259 108.800 -0.809 0.000 2.583 163 G HA2 0.602 4.563 3.960 0.001 0.000 0.280 163 G HA3 0.602 4.563 3.960 0.001 0.000 0.280 163 G C -0.143 174.470 174.900 -0.478 0.000 1.376 163 G CA -0.422 43.972 45.100 -1.176 0.000 1.043 163 G HN 0.979 nan 8.290 nan 0.000 0.538 164 G N -2.073 106.566 108.800 -0.269 0.000 1.787 164 G HA2 0.643 4.604 3.960 0.001 0.000 0.235 164 G HA3 0.643 4.604 3.960 0.001 0.000 0.235 164 G C 0.032 174.899 174.900 -0.055 0.000 1.736 164 G CA 0.745 45.776 45.100 -0.115 0.000 0.927 164 G HN 2.201 nan 8.290 nan 0.000 0.646 165 G N 0.716 109.464 108.800 -0.085 0.000 2.541 165 G HA2 0.380 4.340 3.960 0.001 0.000 0.208 165 G HA3 0.380 4.340 3.960 0.001 0.000 0.208 165 G C 1.194 175.833 174.900 -0.434 0.000 1.191 165 G CA 1.012 46.022 45.100 -0.151 0.000 1.217 165 G HN 1.867 nan 8.290 nan 0.000 0.566 166 G N 0.254 108.769 108.800 -0.475 0.000 2.492 166 G HA2 0.304 4.264 3.960 0.001 0.000 0.214 166 G HA3 0.304 4.264 3.960 0.001 0.000 0.214 166 G C 0.864 175.659 174.900 -0.174 0.000 1.147 166 G CA 0.791 45.547 45.100 -0.574 0.000 0.809 166 G HN 0.634 nan 8.290 nan 0.000 0.533 167 R N 0.081 120.564 120.500 -0.029 0.000 2.491 167 R HA 0.438 4.779 4.340 0.001 0.000 0.283 167 R C 0.858 177.232 176.300 0.123 0.000 1.072 167 R CA 0.656 56.806 56.100 0.085 0.000 1.048 167 R CB 0.664 31.072 30.300 0.180 0.000 0.983 167 R HN 0.269 nan 8.270 nan 0.000 0.450 168 G N 2.777 111.637 108.800 0.099 0.000 2.368 168 G HA2 -0.275 3.686 3.960 0.001 0.000 0.290 168 G HA3 -0.275 3.686 3.960 0.001 0.000 0.290 168 G C -0.293 174.598 174.900 -0.016 0.000 1.098 168 G CA -0.212 44.931 45.100 0.071 0.000 1.073 168 G HN 0.512 nan 8.290 nan 0.000 0.511 169 M N -0.424 119.163 119.600 -0.022 0.000 2.255 169 M HA 0.495 4.975 4.480 0.001 0.000 0.275 169 M C -0.309 175.980 176.300 -0.019 0.000 1.050 169 M CA -0.524 54.756 55.300 -0.035 0.000 0.978 169 M CB 1.961 34.544 32.600 -0.027 0.000 1.761 169 M HN 0.279 nan 8.290 nan 0.000 0.479 170 R N 2.061 122.539 120.500 -0.036 0.000 2.564 170 R HA 0.651 4.992 4.340 0.001 0.000 0.284 170 R C -1.361 174.892 176.300 -0.079 0.000 1.031 170 R CA -0.776 55.296 56.100 -0.046 0.000 0.904 170 R CB 2.590 32.867 30.300 -0.038 0.000 1.199 170 R HN 0.424 nan 8.270 nan 0.000 0.443 171 V N 3.786 123.615 119.914 -0.142 0.000 2.530 171 V HA 0.280 4.400 4.120 0.001 0.000 0.282 171 V C 0.026 176.023 176.094 -0.161 0.000 1.048 171 V CA -0.501 61.639 62.300 -0.267 0.000 0.997 171 V CB 1.418 32.917 31.823 -0.541 0.000 0.987 171 V HN 0.411 nan 8.190 nan 0.000 0.477 172 V N 6.239 126.098 119.914 -0.091 0.000 2.448 172 V HA 0.480 4.601 4.120 0.001 0.000 0.295 172 V C 0.617 176.760 176.094 0.082 0.000 1.025 172 V CA -0.593 61.715 62.300 0.014 0.000 0.859 172 V CB 1.527 33.424 31.823 0.123 0.000 0.988 172 V HN 0.852 nan 8.190 nan 0.000 0.431 173 R N 2.462 122.940 120.500 -0.037 0.000 2.373 173 R HA 0.451 4.791 4.340 0.001 0.000 0.221 173 R C 0.681 176.726 176.300 -0.425 0.000 0.893 173 R CA 0.382 56.434 56.100 -0.080 0.000 1.049 173 R CB 1.470 31.716 30.300 -0.089 0.000 1.119 173 R HN 0.804 nan 8.270 nan 0.000 0.535 174 G N -0.552 107.898 108.800 -0.584 0.000 2.692 174 G HA2 0.112 4.073 3.960 0.001 0.000 0.291 174 G HA3 0.112 4.073 3.960 0.001 0.000 0.291 174 G C -0.693 173.867 174.900 -0.566 0.000 1.423 174 G CA -0.532 44.088 45.100 -0.800 0.000 0.843 174 G HN -0.201 nan 8.290 nan 0.000 0.486 175 D N 0.282 120.434 120.400 -0.414 0.000 2.218 175 D HA -0.099 4.541 4.640 0.001 0.000 0.204 175 D C 2.538 178.802 176.300 -0.060 0.000 0.976 175 D CA 1.400 55.341 54.000 -0.098 0.000 0.853 175 D CB 0.105 40.892 40.800 -0.021 0.000 0.939 175 D HN 0.434 nan 8.370 nan 0.000 0.481 176 A N 0.781 123.545 122.820 -0.094 0.000 1.969 176 A HA -0.150 4.170 4.320 0.001 0.000 0.218 176 A C 1.923 179.478 177.584 -0.048 0.000 1.169 176 A CA 1.200 53.201 52.037 -0.060 0.000 0.635 176 A CB -0.162 18.799 19.000 -0.066 0.000 0.810 176 A HN 0.045 nan 8.150 nan 0.000 0.445 177 E N -0.949 119.213 120.200 -0.063 0.000 2.442 177 E HA 0.085 4.435 4.350 0.001 0.000 0.195 177 E C 1.580 178.172 176.600 -0.014 0.000 1.030 177 E CA 0.005 56.378 56.400 -0.044 0.000 0.869 177 E CB -0.080 29.582 29.700 -0.062 0.000 0.857 177 E HN 0.460 nan 8.360 nan 0.000 0.505 178 L N 0.464 121.692 121.223 0.008 0.000 2.141 178 L HA -0.058 4.282 4.340 0.001 0.000 0.209 178 L C 1.967 178.854 176.870 0.027 0.000 1.094 178 L CA 1.598 56.466 54.840 0.046 0.000 0.763 178 L CB -0.541 41.580 42.059 0.102 0.000 0.908 178 L HN 0.133 nan 8.230 nan 0.000 0.437 179 A N -1.137 121.693 122.820 0.016 0.000 1.858 179 A HA -0.250 4.070 4.320 0.001 0.000 0.216 179 A C 2.214 179.801 177.584 0.006 0.000 1.190 179 A CA 1.840 53.884 52.037 0.012 0.000 0.617 179 A CB -0.573 18.431 19.000 0.007 0.000 0.827 179 A HN 0.602 nan 8.150 nan 0.000 0.443 180 Q N -0.403 119.397 119.800 -0.000 0.000 2.230 180 Q HA -0.062 4.278 4.340 0.001 0.000 0.202 180 Q C 2.387 178.385 176.000 -0.004 0.000 0.963 180 Q CA 1.335 57.136 55.803 -0.004 0.000 0.866 180 Q CB -0.075 28.657 28.738 -0.009 0.000 0.931 180 Q HN 0.656 nan 8.270 nan 0.000 0.452 181 S N 0.844 116.542 115.700 -0.004 0.000 2.355 181 S HA -0.083 4.388 4.470 0.001 0.000 0.222 181 S C 1.930 176.528 174.600 -0.004 0.000 1.031 181 S CA 0.891 59.086 58.200 -0.007 0.000 0.993 181 S CB -0.112 63.084 63.200 -0.008 0.000 0.859 181 S HN 0.303 nan 8.310 nan 0.000 0.453 182 I N 2.097 122.669 120.570 0.003 0.000 2.315 182 I HA -0.156 4.014 4.170 0.001 0.000 0.248 182 I C 2.651 178.773 176.117 0.008 0.000 1.117 182 I CA 1.269 62.572 61.300 0.005 0.000 1.404 182 I CB -0.533 37.475 38.000 0.013 0.000 1.071 182 I HN 0.356 nan 8.210 nan 0.000 0.419 183 S N 0.927 116.632 115.700 0.008 0.000 2.387 183 S HA -0.119 4.352 4.470 0.001 0.000 0.226 183 S C 2.043 176.648 174.600 0.009 0.000 1.026 183 S CA 0.857 59.063 58.200 0.010 0.000 0.972 183 S CB -0.423 62.781 63.200 0.008 0.000 0.814 183 S HN 0.352 nan 8.310 nan 0.000 0.477 184 M N 1.282 120.884 119.600 0.004 0.000 2.200 184 M HA -0.034 4.447 4.480 0.001 0.000 0.265 184 M C 2.288 178.593 176.300 0.008 0.000 1.066 184 M CA 1.550 56.852 55.300 0.003 0.000 1.127 184 M CB -0.771 31.828 32.600 -0.002 0.000 1.379 184 M HN 0.395 nan 8.290 nan 0.000 0.420 185 T N -0.292 114.266 114.554 0.006 0.000 2.821 185 T HA -0.128 4.222 4.350 0.001 0.000 0.267 185 T C 1.755 176.474 174.700 0.032 0.000 1.046 185 T CA 1.102 63.209 62.100 0.011 0.000 1.139 185 T CB -0.296 68.565 68.868 -0.012 0.000 0.871 185 T HN 0.383 nan 8.240 nan 0.000 0.454 186 R N 0.999 121.515 120.500 0.028 0.000 2.092 186 R HA 0.037 4.377 4.340 0.001 0.000 0.231 186 R C 2.540 178.865 176.300 0.042 0.000 1.119 186 R CA 1.215 57.339 56.100 0.040 0.000 0.970 186 R CB -0.367 29.952 30.300 0.032 0.000 0.864 186 R HN 0.366 nan 8.270 nan 0.000 0.440 187 A N 0.891 123.728 122.820 0.028 0.000 1.898 187 A HA -0.139 4.182 4.320 0.001 0.000 0.216 187 A C 1.843 179.436 177.584 0.015 0.000 1.181 187 A CA 1.442 53.490 52.037 0.018 0.000 0.620 187 A CB -0.326 18.679 19.000 0.009 0.000 0.819 187 A HN 0.469 nan 8.150 nan 0.000 0.442 188 E N -0.497 119.716 120.200 0.020 0.000 2.216 188 E HA 0.026 4.376 4.350 0.001 0.000 0.192 188 E C 2.190 178.808 176.600 0.030 0.000 0.988 188 E CA 0.617 57.020 56.400 0.007 0.000 0.834 188 E CB -0.153 29.555 29.700 0.012 0.000 0.772 188 E HN 0.612 nan 8.360 nan 0.000 0.479 189 A N 1.554 124.448 122.820 0.123 0.000 1.929 189 A HA -0.149 4.172 4.320 0.001 0.000 0.216 189 A C 2.034 179.750 177.584 0.220 0.000 1.176 189 A CA 1.126 53.341 52.037 0.297 0.000 0.628 189 A CB -0.176 18.973 19.000 0.247 0.000 0.816 189 A HN -0.001 nan 8.150 nan 0.000 0.444 190 K N -0.383 120.079 120.400 0.104 0.000 2.155 190 K HA 0.032 4.352 4.320 0.001 0.000 0.203 190 K C 2.015 178.623 176.600 0.013 0.000 1.052 190 K CA 0.935 57.262 56.287 0.068 0.000 0.948 190 K CB -0.205 32.323 32.500 0.047 0.000 0.728 190 K HN 0.377 nan 8.250 nan 0.000 0.448 191 A N 0.369 123.172 122.820 -0.028 0.000 2.014 191 A HA 0.040 4.361 4.320 0.001 0.000 0.218 191 A C 2.024 179.516 177.584 -0.153 0.000 1.163 191 A CA 1.522 53.517 52.037 -0.070 0.000 0.652 191 A CB -0.219 18.743 19.000 -0.064 0.000 0.808 191 A HN 0.401 nan 8.150 nan 0.000 0.449 192 A N -2.055 120.588 122.820 -0.294 0.000 2.035 192 A HA 0.477 4.797 4.320 0.001 0.000 0.208 192 A C 1.315 178.491 177.584 -0.680 0.000 1.206 192 A CA 0.571 52.242 52.037 -0.610 0.000 0.773 192 A CB -0.029 18.365 19.000 -1.009 0.000 0.878 192 A HN 0.441 nan 8.150 nan 0.000 0.469 193 F N -1.016 118.941 119.950 0.012 0.000 2.706 193 F HA 0.259 4.786 4.527 0.001 0.000 0.313 193 F C 1.186 176.997 175.800 0.019 0.000 1.096 193 F CA 0.429 58.439 58.000 0.017 0.000 1.219 193 F CB 0.419 39.431 39.000 0.020 0.000 1.051 193 F HN 0.012 nan 8.300 nan 0.000 0.568 194 S N 1.259 117.035 115.700 0.126 0.000 3.521 194 S HA -0.264 4.207 4.470 0.001 0.000 0.328 194 S C -0.258 174.407 174.600 0.108 0.000 1.165 194 S CA 0.887 59.141 58.200 0.090 0.000 0.941 194 S CB -1.552 61.687 63.200 0.065 0.000 0.951 194 S HN 0.543 nan 8.310 nan 0.000 0.539 195 N N 1.221 120.013 118.700 0.154 0.000 2.480 195 N HA 0.311 5.051 4.740 0.001 0.000 0.289 195 N C -0.324 175.264 175.510 0.129 0.000 1.073 195 N CA -0.529 52.596 53.050 0.124 0.000 0.885 195 N CB 1.328 39.883 38.487 0.114 0.000 1.421 195 N HN 0.167 nan 8.380 nan 0.000 0.503 196 D N 2.832 123.287 120.400 0.091 0.000 2.328 196 D HA 0.014 4.654 4.640 0.001 0.000 0.221 196 D C 0.405 176.749 176.300 0.074 0.000 1.072 196 D CA -0.156 53.894 54.000 0.082 0.000 0.850 196 D CB 0.012 40.848 40.800 0.060 0.000 0.922 196 D HN 0.448 nan 8.370 nan 0.000 0.516 197 M N 2.004 121.649 119.600 0.076 0.000 2.246 197 M HA 0.154 4.634 4.480 0.001 0.000 0.350 197 M C -0.623 175.737 176.300 0.100 0.000 1.406 197 M CA -0.141 55.207 55.300 0.080 0.000 1.089 197 M CB 0.818 33.463 32.600 0.075 0.000 1.782 197 M HN -0.040 nan 8.290 nan 0.000 0.457 198 V N 3.818 123.792 119.914 0.100 0.000 3.001 198 V HA 0.789 4.910 4.120 0.001 0.000 0.314 198 V C -1.319 174.871 176.094 0.161 0.000 1.099 198 V CA -0.847 61.505 62.300 0.086 0.000 0.989 198 V CB 1.563 33.392 31.823 0.010 0.000 1.040 198 V HN 0.901 nan 8.190 nan 0.000 0.434 199 Y N 1.010 121.316 120.300 0.011 0.000 2.638 199 Y HA 0.876 5.426 4.550 0.001 0.000 0.339 199 Y C -0.692 175.218 175.900 0.016 0.000 1.084 199 Y CA -1.733 56.375 58.100 0.014 0.000 1.068 199 Y CB 2.178 40.648 38.460 0.016 0.000 1.294 199 Y HN 0.874 nan 8.280 nan 0.000 0.480 200 M N 2.125 121.804 119.600 0.132 0.000 2.464 200 M HA 0.498 4.978 4.480 0.001 0.000 0.308 200 M C -1.751 174.618 176.300 0.116 0.000 1.127 200 M CA -0.356 54.964 55.300 0.033 0.000 0.913 200 M CB 2.532 35.143 32.600 0.018 0.000 1.689 200 M HN 1.018 nan 8.290 nan 0.000 0.445 201 E N 2.307 122.544 120.200 0.062 0.000 2.433 201 E HA 0.371 4.721 4.350 0.001 0.000 0.278 201 E C -1.677 174.944 176.600 0.034 0.000 0.976 201 E CA -1.205 55.242 56.400 0.078 0.000 0.793 201 E CB 1.907 31.691 29.700 0.140 0.000 1.311 201 E HN 0.586 nan 8.360 nan 0.000 0.460 202 K N 1.354 121.756 120.400 0.005 0.000 2.447 202 K HA -0.016 4.304 4.320 0.001 0.000 0.281 202 K C -1.129 175.479 176.600 0.013 0.000 1.031 202 K CA -0.186 56.093 56.287 -0.013 0.000 1.019 202 K CB 0.240 32.700 32.500 -0.067 0.000 0.918 202 K HN 0.522 nan 8.250 nan 0.000 0.476 203 Y N 5.686 125.956 120.300 -0.051 0.000 2.436 203 Y HA 0.181 4.731 4.550 0.001 0.000 0.336 203 Y C -0.766 175.107 175.900 -0.045 0.000 1.049 203 Y CA -0.298 57.785 58.100 -0.029 0.000 1.294 203 Y CB 0.424 38.887 38.460 0.005 0.000 1.179 203 Y HN 0.421 nan 8.280 nan 0.000 0.520 204 L N 7.076 127.935 121.223 -0.607 0.000 2.264 204 L HA 0.266 4.606 4.340 0.001 0.000 0.289 204 L C 1.109 177.574 176.870 -0.675 0.000 1.044 204 L CA -0.605 53.937 54.840 -0.497 0.000 0.807 204 L CB 1.313 43.154 42.059 -0.364 0.000 1.192 204 L HN 0.680 nan 8.230 nan 0.000 0.425 205 E N 2.284 122.284 120.200 -0.333 0.000 2.015 205 E HA -0.123 4.227 4.350 0.001 0.000 0.191 205 E C 0.097 176.712 176.600 0.025 0.000 0.991 205 E CA 1.500 57.822 56.400 -0.130 0.000 0.802 205 E CB 0.048 29.763 29.700 0.025 0.000 0.759 205 E HN 0.635 nan 8.360 nan 0.000 0.447 206 N N 0.993 119.709 118.700 0.027 0.000 2.703 206 N HA 0.163 4.903 4.740 0.001 0.000 0.283 206 N C -2.685 172.831 175.510 0.010 0.000 1.851 206 N CA -0.733 52.386 53.050 0.114 0.000 0.826 206 N CB 1.740 40.302 38.487 0.124 0.000 1.239 206 N HN 0.046 nan 8.380 nan 0.000 0.495 207 P HA 0.272 nan 4.420 nan 0.000 0.278 207 P C -0.488 176.819 177.300 0.011 0.000 1.266 207 P CA -0.370 62.711 63.100 -0.032 0.000 0.807 207 P CB 1.509 33.186 31.700 -0.039 0.000 1.094 208 R N -0.625 119.935 120.500 0.099 0.000 2.573 208 R HA 0.369 4.710 4.340 0.001 0.000 0.272 208 R C 0.119 176.543 176.300 0.207 0.000 1.009 208 R CA -0.635 55.562 56.100 0.161 0.000 1.059 208 R CB 0.484 30.923 30.300 0.231 0.000 1.112 208 R HN 0.613 nan 8.270 nan 0.000 0.517 209 H N 1.166 120.302 119.070 0.110 0.000 2.690 209 H HA 0.338 4.895 4.556 0.001 0.000 0.289 209 H C -1.201 174.221 175.328 0.157 0.000 1.089 209 H CA -0.487 55.638 56.048 0.129 0.000 1.299 209 H CB 0.557 30.365 29.762 0.076 0.000 1.405 209 H HN 0.104 nan 8.280 nan 0.000 0.463 210 V N 6.514 126.528 119.914 0.166 0.000 2.487 210 V HA 0.243 4.363 4.120 0.001 0.000 0.298 210 V C -0.513 175.752 176.094 0.285 0.000 1.028 210 V CA -0.790 61.653 62.300 0.238 0.000 0.860 210 V CB 1.467 33.392 31.823 0.170 0.000 0.991 210 V HN 0.907 nan 8.190 nan 0.000 0.427 211 E N 5.292 125.663 120.200 0.285 0.000 2.288 211 E HA 0.660 5.011 4.350 0.001 0.000 0.268 211 E C -1.583 175.181 176.600 0.273 0.000 0.885 211 E CA -0.970 55.614 56.400 0.306 0.000 0.767 211 E CB 2.631 32.491 29.700 0.268 0.000 1.220 211 E HN 0.374 nan 8.360 nan 0.000 0.427 212 I N 2.303 123.074 120.570 0.335 0.000 2.336 212 I HA 0.169 4.339 4.170 0.001 0.000 0.292 212 I C -0.042 176.235 176.117 0.267 0.000 0.991 212 I CA -0.701 60.755 61.300 0.260 0.000 1.227 212 I CB 1.102 39.242 38.000 0.232 0.000 1.366 212 I HN 0.710 nan 8.210 nan 0.000 0.466 213 Q N 6.113 126.035 119.800 0.203 0.000 2.286 213 Q HA 0.485 4.825 4.340 0.001 0.000 0.257 213 Q C -0.872 175.248 176.000 0.200 0.000 0.941 213 Q CA -0.242 55.665 55.803 0.175 0.000 0.912 213 Q CB 1.219 30.039 28.738 0.137 0.000 1.192 213 Q HN 0.539 nan 8.270 nan 0.000 0.410 214 V N 1.957 121.982 119.914 0.185 0.000 3.001 214 V HA 0.745 4.866 4.120 0.001 0.000 0.314 214 V C -0.974 175.212 176.094 0.153 0.000 1.099 214 V CA -1.036 61.379 62.300 0.192 0.000 0.989 214 V CB 1.923 33.906 31.823 0.266 0.000 1.040 214 V HN 0.745 nan 8.190 nan 0.000 0.434 215 L N 2.766 124.074 121.223 0.141 0.000 2.386 215 L HA 0.953 5.293 4.340 0.001 0.000 0.271 215 L C -0.088 176.870 176.870 0.147 0.000 0.993 215 L CA -0.639 54.280 54.840 0.132 0.000 0.819 215 L CB 2.029 44.132 42.059 0.072 0.000 1.294 215 L HN 1.077 nan 8.230 nan 0.000 0.414 216 A N 0.906 123.833 122.820 0.177 0.000 2.449 216 A HA 0.565 4.885 4.320 0.001 0.000 0.302 216 A C -0.422 177.205 177.584 0.072 0.000 1.048 216 A CA -0.591 51.536 52.037 0.150 0.000 0.708 216 A CB 1.293 20.448 19.000 0.258 0.000 1.274 216 A HN 0.796 nan 8.150 nan 0.000 0.410 217 D N 0.767 121.191 120.400 0.040 0.000 2.350 217 D HA 0.257 4.897 4.640 0.001 0.000 0.213 217 D C 1.151 177.444 176.300 -0.011 0.000 1.031 217 D CA 0.862 54.865 54.000 0.005 0.000 0.861 217 D CB -0.021 40.781 40.800 0.003 0.000 0.926 217 D HN 1.647 nan 8.370 nan 0.000 0.520 218 G N 0.444 109.244 108.800 -0.000 0.000 2.153 218 G HA2 -0.356 3.605 3.960 0.001 0.000 0.252 218 G HA3 -0.356 3.605 3.960 0.001 0.000 0.252 218 G C 0.608 175.506 174.900 -0.004 0.000 0.994 218 G CA 0.466 45.558 45.100 -0.012 0.000 0.698 218 G HN 0.481 nan 8.290 nan 0.000 0.521 219 Q N -1.346 118.456 119.800 0.004 0.000 2.139 219 Q HA 0.447 4.788 4.340 0.001 0.000 0.219 219 Q C 1.699 177.704 176.000 0.008 0.000 0.805 219 Q CA 0.457 56.261 55.803 0.002 0.000 1.024 219 Q CB 1.131 29.868 28.738 -0.002 0.000 1.163 219 Q HN 1.360 nan 8.270 nan 0.000 0.485 220 G N 1.075 109.885 108.800 0.017 0.000 2.218 220 G HA2 -0.180 3.781 3.960 0.001 0.000 0.216 220 G HA3 -0.180 3.781 3.960 0.001 0.000 0.216 220 G C -0.085 174.829 174.900 0.023 0.000 0.994 220 G CA -0.557 44.554 45.100 0.018 0.000 0.637 220 G HN 0.243 nan 8.290 nan 0.000 0.505 221 N N 1.215 119.930 118.700 0.024 0.000 2.456 221 N HA 0.690 5.430 4.740 0.001 0.000 0.288 221 N C -0.175 175.362 175.510 0.046 0.000 1.059 221 N CA 0.668 53.733 53.050 0.025 0.000 0.946 221 N CB 1.865 40.360 38.487 0.013 0.000 1.150 221 N HN 0.992 nan 8.380 nan 0.000 0.479 222 A N 1.843 124.693 122.820 0.049 0.000 2.488 222 A HA 0.664 4.984 4.320 0.001 0.000 0.295 222 A C -0.615 177.008 177.584 0.065 0.000 1.045 222 A CA -0.777 51.307 52.037 0.078 0.000 0.703 222 A CB 0.904 19.967 19.000 0.106 0.000 1.271 222 A HN 0.684 nan 8.150 nan 0.000 0.400 223 I N -0.519 120.089 120.570 0.064 0.000 2.785 223 I HA 0.862 5.032 4.170 0.001 0.000 0.302 223 I C -0.778 175.389 176.117 0.084 0.000 1.069 223 I CA -1.197 60.113 61.300 0.017 0.000 1.045 223 I CB 2.008 39.963 38.000 -0.076 0.000 1.236 223 I HN 0.726 nan 8.210 nan 0.000 0.429 224 Y N 3.074 123.369 120.300 -0.008 0.000 2.387 224 Y HA 0.791 5.342 4.550 0.001 0.000 0.336 224 Y C -1.056 174.841 175.900 -0.005 0.000 1.067 224 Y CA -1.576 56.524 58.100 0.001 0.000 1.114 224 Y CB 1.271 39.711 38.460 -0.034 0.000 1.208 224 Y HN 0.495 nan 8.280 nan 0.000 0.458 225 L N 4.915 126.197 121.223 0.098 0.000 2.825 225 L HA 0.668 5.009 4.340 0.001 0.000 0.236 225 L C 0.570 177.497 176.870 0.094 0.000 1.301 225 L CA 0.157 55.010 54.840 0.021 0.000 0.977 225 L CB -0.213 41.862 42.059 0.027 0.000 1.300 225 L HN 1.157 nan 8.230 nan 0.000 0.486 226 A N 0.677 123.599 122.820 0.170 0.000 6.082 226 A HA -0.136 4.185 4.320 0.001 0.000 0.269 226 A C 0.322 177.981 177.584 0.124 0.000 2.078 226 A CA 1.216 53.348 52.037 0.160 0.000 0.711 226 A CB -0.587 18.463 19.000 0.084 0.000 1.114 226 A HN 0.620 nan 8.150 nan 0.000 0.371 227 E N 0.451 120.697 120.200 0.077 0.000 2.378 227 E HA 0.819 5.170 4.350 0.001 0.000 0.265 227 E C -0.563 176.078 176.600 0.068 0.000 0.932 227 E CA -0.869 55.577 56.400 0.077 0.000 0.795 227 E CB 1.330 31.059 29.700 0.048 0.000 1.296 227 E HN 0.797 nan 8.360 nan 0.000 0.438 228 R N 0.250 120.810 120.500 0.101 0.000 2.686 228 R HA 0.364 4.704 4.340 0.001 0.000 0.283 228 R C -1.086 175.296 176.300 0.137 0.000 0.978 228 R CA -0.856 55.300 56.100 0.093 0.000 0.897 228 R CB 1.652 32.011 30.300 0.100 0.000 1.192 228 R HN 0.528 nan 8.270 nan 0.000 0.457 229 D N 1.605 122.074 120.400 0.115 0.000 2.280 229 D HA 0.219 4.859 4.640 0.001 0.000 0.236 229 D C -0.503 175.880 176.300 0.138 0.000 1.082 229 D CA -0.344 53.746 54.000 0.150 0.000 0.834 229 D CB 1.259 42.130 40.800 0.118 0.000 1.100 229 D HN 0.572 nan 8.370 nan 0.000 0.486 230 C N 2.962 122.349 119.300 0.145 0.000 2.751 230 C HA 0.222 4.682 4.460 0.001 0.000 0.248 230 C C 1.812 176.765 174.990 -0.063 0.000 1.710 230 C CA -0.525 58.474 59.018 -0.033 0.000 1.676 230 C CB -1.125 26.468 27.740 -0.244 0.000 3.106 230 C HN 0.515 nan 8.230 nan 0.000 0.502 231 S N 0.905 116.649 115.700 0.074 0.000 2.428 231 S HA -0.020 4.450 4.470 0.001 0.000 0.230 231 S C 0.894 175.523 174.600 0.049 0.000 1.014 231 S CA 0.703 58.952 58.200 0.081 0.000 0.957 231 S CB -0.172 63.099 63.200 0.119 0.000 0.784 231 S HN 0.632 nan 8.310 nan 0.000 0.499 232 M N 3.032 122.669 119.600 0.062 0.000 2.429 232 M HA 0.181 4.661 4.480 0.001 0.000 0.334 232 M C -0.476 175.817 176.300 -0.011 0.000 1.560 232 M CA 0.519 55.853 55.300 0.057 0.000 1.291 232 M CB -0.612 32.025 32.600 0.061 0.000 1.754 232 M HN 0.121 nan 8.290 nan 0.000 0.456 233 Q N 2.784 122.567 119.800 -0.029 0.000 2.421 233 Q HA 0.627 4.967 4.340 0.001 0.000 0.280 233 Q C -0.999 174.936 176.000 -0.108 0.000 1.085 233 Q CA -1.021 54.734 55.803 -0.080 0.000 0.807 233 Q CB 3.064 31.742 28.738 -0.100 0.000 1.405 233 Q HN 0.583 nan 8.270 nan 0.000 0.419 234 R N 1.298 121.711 120.500 -0.145 0.000 2.538 234 R HA 0.352 4.693 4.340 0.001 0.000 0.292 234 R C -0.836 175.353 176.300 -0.186 0.000 1.008 234 R CA -0.316 55.663 56.100 -0.203 0.000 0.896 234 R CB 0.867 30.976 30.300 -0.318 0.000 1.187 234 R HN 0.741 nan 8.270 nan 0.000 0.440 235 R N 4.249 124.646 120.500 -0.172 0.000 3.416 235 R HA -0.200 4.140 4.340 0.001 0.000 0.263 235 R C -0.538 175.797 176.300 0.057 0.000 1.053 235 R CA 1.161 57.224 56.100 -0.062 0.000 0.705 235 R CB -1.916 28.357 30.300 -0.044 0.000 1.124 235 R HN 0.978 nan 8.270 nan 0.000 0.444 236 H N -2.982 116.069 119.070 -0.033 0.000 3.179 236 H HA -0.167 4.389 4.556 0.001 0.000 0.250 236 H C -0.159 175.140 175.328 -0.049 0.000 1.142 236 H CA 1.432 57.466 56.048 -0.023 0.000 1.165 236 H CB -0.601 29.164 29.762 0.004 0.000 1.253 236 H HN 0.447 nan 8.280 nan 0.000 0.325 237 Q N 1.394 121.192 119.800 -0.005 0.000 2.307 237 Q HA 0.327 4.667 4.340 0.001 0.000 0.262 237 Q C 0.325 176.278 176.000 -0.079 0.000 0.961 237 Q CA -0.518 55.260 55.803 -0.043 0.000 0.882 237 Q CB 1.869 30.576 28.738 -0.051 0.000 1.264 237 Q HN 0.282 nan 8.270 nan 0.000 0.446 238 K N 1.028 121.371 120.400 -0.096 0.000 2.448 238 K HA 0.107 4.427 4.320 0.001 0.000 0.278 238 K C 0.641 177.194 176.600 -0.077 0.000 1.009 238 K CA -0.102 56.120 56.287 -0.108 0.000 0.995 238 K CB 0.899 33.313 32.500 -0.144 0.000 0.917 238 K HN 0.291 nan 8.250 nan 0.000 0.481 239 V N 1.998 121.876 119.914 -0.060 0.000 3.090 239 V HA 0.040 4.160 4.120 0.001 0.000 0.237 239 V C 0.034 176.111 176.094 -0.029 0.000 1.209 239 V CA 0.176 62.454 62.300 -0.037 0.000 1.209 239 V CB 1.110 32.914 31.823 -0.031 0.000 0.971 239 V HN 0.451 nan 8.190 nan 0.000 0.477 240 V N 1.059 120.956 119.914 -0.029 0.000 2.656 240 V HA 0.627 4.748 4.120 0.001 0.000 0.307 240 V C -1.114 174.994 176.094 0.023 0.000 1.051 240 V CA -0.563 61.731 62.300 -0.011 0.000 0.893 240 V CB 2.029 33.817 31.823 -0.057 0.000 0.999 240 V HN 0.457 nan 8.190 nan 0.000 0.426 241 E N 2.375 122.600 120.200 0.042 0.000 2.343 241 E HA 0.751 5.101 4.350 0.001 0.000 0.270 241 E C -1.072 175.585 176.600 0.096 0.000 0.895 241 E CA -0.857 55.576 56.400 0.056 0.000 0.767 241 E CB 2.507 32.216 29.700 0.014 0.000 1.248 241 E HN 0.874 nan 8.360 nan 0.000 0.440 242 E N 0.033 120.292 120.200 0.098 0.000 2.413 242 E HA 0.858 5.208 4.350 0.001 0.000 0.277 242 E C -1.568 175.012 176.600 -0.032 0.000 0.958 242 E CA -1.512 54.935 56.400 0.078 0.000 0.779 242 E CB 1.893 31.723 29.700 0.217 0.000 1.278 242 E HN 0.452 nan 8.360 nan 0.000 0.456 243 A N 1.915 124.611 122.820 -0.207 0.000 2.488 243 A HA 0.671 4.992 4.320 0.001 0.000 0.298 243 A C -2.782 174.464 177.584 -0.564 0.000 1.044 243 A CA -1.554 50.337 52.037 -0.243 0.000 0.693 243 A CB 1.545 20.494 19.000 -0.085 0.000 1.272 243 A HN 0.520 nan 8.150 nan 0.000 0.402 244 P HA 0.372 nan 4.420 nan 0.000 0.274 244 P C 0.000 177.246 177.300 -0.091 0.000 1.260 244 P CA -0.047 62.968 63.100 -0.142 0.000 0.793 244 P CB 0.690 32.366 31.700 -0.040 0.000 1.048 245 A N 1.200 124.011 122.820 -0.016 0.000 2.409 245 A HA 0.414 4.735 4.320 0.001 0.000 0.267 245 A C -2.113 175.484 177.584 0.021 0.000 1.127 245 A CA -1.381 50.663 52.037 0.010 0.000 0.795 245 A CB -1.369 17.612 19.000 -0.031 0.000 1.061 245 A HN 0.357 nan 8.150 nan 0.000 0.502 246 P HA 0.242 nan 4.420 nan 0.000 0.264 246 P C 1.143 178.431 177.300 -0.021 0.000 1.193 246 P CA 1.808 64.913 63.100 0.008 0.000 0.763 246 P CB 0.728 32.401 31.700 -0.046 0.000 0.810 247 G N 2.840 111.625 108.800 -0.024 0.000 2.241 247 G HA2 -0.212 3.749 3.960 0.001 0.000 0.244 247 G HA3 -0.212 3.749 3.960 0.001 0.000 0.244 247 G C 0.176 175.070 174.900 -0.010 0.000 0.998 247 G CA -0.470 44.626 45.100 -0.008 0.000 0.621 247 G HN 0.480 nan 8.290 nan 0.000 0.519 248 I N 3.492 124.031 120.570 -0.051 0.000 2.436 248 I HA 0.270 4.440 4.170 0.001 0.000 0.289 248 I C 1.506 177.621 176.117 -0.002 0.000 1.083 248 I CA 0.466 61.731 61.300 -0.059 0.000 1.372 248 I CB -0.146 37.798 38.000 -0.093 0.000 1.408 248 I HN 0.388 nan 8.210 nan 0.000 0.516 249 T N 4.816 119.380 114.554 0.017 0.000 2.849 249 T HA 0.293 4.643 4.350 0.001 0.000 0.284 249 T C -1.700 173.021 174.700 0.036 0.000 1.004 249 T CA -1.543 60.573 62.100 0.026 0.000 1.021 249 T CB 1.136 70.019 68.868 0.026 0.000 1.013 249 T HN 0.302 nan 8.240 nan 0.000 0.527 250 P HA -0.154 nan 4.420 nan 0.000 0.216 250 P C 1.668 179.002 177.300 0.057 0.000 1.150 250 P CA 1.083 64.215 63.100 0.054 0.000 0.843 250 P CB 0.044 31.776 31.700 0.052 0.000 0.787 251 E N -0.552 119.677 120.200 0.047 0.000 2.152 251 E HA -0.129 4.221 4.350 0.001 0.000 0.192 251 E C 1.937 178.575 176.600 0.062 0.000 0.983 251 E CA 0.913 57.344 56.400 0.051 0.000 0.818 251 E CB -1.299 28.423 29.700 0.036 0.000 0.758 251 E HN 0.205 nan 8.360 nan 0.000 0.467 252 L N 1.522 122.780 121.223 0.058 0.000 2.156 252 L HA -0.002 4.338 4.340 0.001 0.000 0.208 252 L C 2.721 179.624 176.870 0.055 0.000 1.095 252 L CA 1.403 56.300 54.840 0.095 0.000 0.770 252 L CB -0.533 41.604 42.059 0.129 0.000 0.914 252 L HN 0.017 nan 8.230 nan 0.000 0.439 253 R N -0.083 120.427 120.500 0.016 0.000 2.073 253 R HA -0.194 4.147 4.340 0.001 0.000 0.234 253 R C 2.454 178.666 176.300 -0.146 0.000 1.134 253 R CA 1.824 57.896 56.100 -0.048 0.000 0.952 253 R CB -0.202 30.125 30.300 0.044 0.000 0.850 253 R HN 0.499 nan 8.270 nan 0.000 0.433 254 R N -1.263 119.212 120.500 -0.042 0.000 2.115 254 R HA -0.159 4.182 4.340 0.001 0.000 0.226 254 R C 2.136 178.305 176.300 -0.219 0.000 1.100 254 R CA 1.415 57.460 56.100 -0.092 0.000 0.980 254 R CB -1.048 29.300 30.300 0.081 0.000 0.875 254 R HN 0.293 nan 8.270 nan 0.000 0.445 255 Y N 1.580 121.744 120.300 -0.226 0.000 2.030 255 Y HA -0.265 4.285 4.550 0.001 0.000 0.274 255 Y C 2.132 177.800 175.900 -0.387 0.000 1.153 255 Y CA 2.013 59.972 58.100 -0.235 0.000 1.115 255 Y CB -0.224 38.148 38.460 -0.146 0.000 0.969 255 Y HN 0.093 nan 8.280 nan 0.000 0.488 256 I N 0.552 120.884 120.570 -0.396 0.000 2.500 256 I HA -0.016 4.155 4.170 0.001 0.000 0.252 256 I C 2.394 178.049 176.117 -0.769 0.000 1.142 256 I CA 1.578 62.440 61.300 -0.730 0.000 1.451 256 I CB -0.939 36.249 38.000 -1.352 0.000 1.093 256 I HN 0.347 nan 8.210 nan 0.000 0.430 257 G N -0.286 107.976 108.800 -0.896 0.000 2.421 257 G HA2 -0.236 3.724 3.960 0.001 0.000 0.216 257 G HA3 -0.236 3.724 3.960 0.001 0.000 0.216 257 G C 1.556 175.767 174.900 -1.149 0.000 1.171 257 G CA 0.751 45.011 45.100 -1.401 0.000 0.775 257 G HN 0.462 nan 8.290 nan 0.000 0.543 258 E N -0.012 119.657 120.200 -0.884 0.000 2.118 258 E HA -0.105 4.245 4.350 0.001 0.000 0.195 258 E C 2.722 179.107 176.600 -0.359 0.000 0.992 258 E CA 0.594 56.761 56.400 -0.389 0.000 0.804 258 E CB -0.069 29.477 29.700 -0.256 0.000 0.741 258 E HN 0.307 nan 8.360 nan 0.000 0.458 259 R N -0.138 120.074 120.500 -0.481 0.000 2.092 259 R HA -0.074 4.267 4.340 0.001 0.000 0.231 259 R C 2.412 178.451 176.300 -0.435 0.000 1.119 259 R CA 1.222 57.061 56.100 -0.435 0.000 0.970 259 R CB -0.238 29.762 30.300 -0.500 0.000 0.864 259 R HN 0.224 nan 8.270 nan 0.000 0.440 260 C N -0.344 118.640 119.300 -0.527 0.000 2.446 260 C HA -0.009 4.451 4.460 0.001 0.000 0.277 260 C C 2.824 177.561 174.990 -0.422 0.000 1.275 260 C CA 0.724 59.289 59.018 -0.755 0.000 1.727 260 C CB -0.828 26.499 27.740 -0.688 0.000 2.010 260 C HN 0.602 nan 8.230 nan 0.000 0.486 261 A N 0.394 123.097 122.820 -0.195 0.000 1.930 261 A HA -0.212 4.108 4.320 0.001 0.000 0.217 261 A C 2.252 179.810 177.584 -0.042 0.000 1.175 261 A CA 1.910 53.937 52.037 -0.018 0.000 0.627 261 A CB -0.561 18.498 19.000 0.098 0.000 0.815 261 A HN 0.681 nan 8.150 nan 0.000 0.443 262 K N -0.199 120.135 120.400 -0.110 0.000 2.057 262 K HA -0.071 4.249 4.320 0.001 0.000 0.206 262 K C 2.160 178.710 176.600 -0.084 0.000 1.050 262 K CA 1.170 57.401 56.287 -0.092 0.000 0.935 262 K CB -0.348 32.077 32.500 -0.125 0.000 0.715 262 K HN 0.337 nan 8.250 nan 0.000 0.439 263 A N 1.087 123.817 122.820 -0.150 0.000 1.940 263 A HA -0.206 4.114 4.320 0.001 0.000 0.219 263 A C 2.451 180.055 177.584 0.032 0.000 1.176 263 A CA 1.804 53.773 52.037 -0.114 0.000 0.631 263 A CB -1.089 17.747 19.000 -0.272 0.000 0.814 263 A HN 0.580 nan 8.150 nan 0.000 0.446 264 C N -1.337 118.016 119.300 0.088 0.000 2.413 264 C HA -0.078 4.382 4.460 0.001 0.000 0.276 264 C C 2.749 177.829 174.990 0.150 0.000 1.248 264 C CA 1.124 60.257 59.018 0.192 0.000 1.742 264 C CB -1.298 26.571 27.740 0.216 0.000 2.017 264 C HN 0.482 nan 8.230 nan 0.000 0.481 265 V N 1.156 121.118 119.914 0.081 0.000 2.358 265 V HA -0.194 3.926 4.120 0.001 0.000 0.246 265 V C 2.094 178.214 176.094 0.043 0.000 1.047 265 V CA 2.263 64.596 62.300 0.055 0.000 1.035 265 V CB -0.768 31.070 31.823 0.025 0.000 0.658 265 V HN 0.445 nan 8.190 nan 0.000 0.452 266 D N 0.560 120.974 120.400 0.025 0.000 2.123 266 D HA -0.141 4.499 4.640 0.001 0.000 0.196 266 D C 1.838 178.156 176.300 0.030 0.000 0.992 266 D CA 1.903 55.910 54.000 0.011 0.000 0.833 266 D CB -0.234 40.556 40.800 -0.016 0.000 0.954 266 D HN 0.672 nan 8.370 nan 0.000 0.455 267 I N -3.862 116.746 120.570 0.063 0.000 3.793 267 I HA 0.326 4.496 4.170 0.001 0.000 0.315 267 I C 1.062 177.238 176.117 0.099 0.000 1.275 267 I CA 0.370 61.718 61.300 0.080 0.000 1.214 267 I CB -0.052 38.011 38.000 0.105 0.000 1.018 267 I HN -0.012 nan 8.210 nan 0.000 0.439 268 G N 1.588 110.445 108.800 0.094 0.000 2.246 268 G HA2 -0.360 3.601 3.960 0.001 0.000 0.273 268 G HA3 -0.360 3.601 3.960 0.001 0.000 0.273 268 G C -0.010 174.945 174.900 0.092 0.000 1.055 268 G CA 0.229 45.373 45.100 0.074 0.000 0.851 268 G HN 0.669 nan 8.290 nan 0.000 0.500 269 Y N 0.345 120.666 120.300 0.035 0.000 2.597 269 Y HA 0.409 4.960 4.550 0.001 0.000 0.336 269 Y C 0.995 176.913 175.900 0.030 0.000 1.216 269 Y CA 0.246 58.368 58.100 0.037 0.000 1.463 269 Y CB 0.512 39.009 38.460 0.062 0.000 1.303 269 Y HN 0.364 nan 8.280 nan 0.000 0.576 270 R N 4.246 124.350 120.500 -0.661 0.000 2.502 270 R HA 0.551 4.892 4.340 0.001 0.000 0.300 270 R C -0.318 175.686 176.300 -0.494 0.000 0.984 270 R CA 0.284 56.153 56.100 -0.385 0.000 0.882 270 R CB 0.966 31.124 30.300 -0.236 0.000 1.180 270 R HN 1.010 nan 8.270 nan 0.000 0.444 271 G N 2.072 110.764 108.800 -0.179 0.000 2.500 271 G HA2 -0.001 3.959 3.960 0.001 0.000 0.209 271 G HA3 -0.001 3.959 3.960 0.001 0.000 0.209 271 G C -1.057 173.922 174.900 0.131 0.000 1.283 271 G CA -0.446 44.607 45.100 -0.078 0.000 0.960 271 G HN 0.829 nan 8.290 nan 0.000 0.528 272 A N -0.406 122.483 122.820 0.115 0.000 2.354 272 A HA 0.906 5.227 4.320 0.001 0.000 0.269 272 A C 0.850 178.609 177.584 0.291 0.000 1.109 272 A CA 1.214 53.353 52.037 0.170 0.000 0.800 272 A CB 0.852 19.895 19.000 0.072 0.000 1.045 272 A HN 2.545 nan 8.150 nan 0.000 0.489 273 G N -0.338 108.564 108.800 0.170 0.000 2.677 273 G HA2 0.594 4.554 3.960 0.001 0.000 0.291 273 G HA3 0.594 4.554 3.960 0.001 0.000 0.291 273 G C -1.132 173.692 174.900 -0.128 0.000 1.435 273 G CA -0.366 44.699 45.100 -0.058 0.000 0.826 273 G HN 0.775 nan 8.290 nan 0.000 0.491 274 T N 0.707 115.126 114.554 -0.224 0.000 2.879 274 T HA 0.494 4.844 4.350 0.001 0.000 0.290 274 T C -1.241 173.302 174.700 -0.262 0.000 0.993 274 T CA -0.180 61.855 62.100 -0.109 0.000 0.975 274 T CB 0.969 69.843 68.868 0.010 0.000 0.981 274 T HN 0.290 nan 8.240 nan 0.000 0.439 275 F N 2.400 122.356 119.950 0.010 0.000 2.371 275 F HA 0.341 4.869 4.527 0.001 0.000 0.363 275 F C 1.092 176.795 175.800 -0.162 0.000 1.122 275 F CA -0.808 57.163 58.000 -0.049 0.000 1.129 275 F CB 0.760 39.778 39.000 0.029 0.000 1.173 275 F HN 0.428 nan 8.300 nan 0.000 0.489 276 E N 3.759 123.835 120.200 -0.208 0.000 2.227 276 E HA 0.428 4.778 4.350 0.001 0.000 0.282 276 E C -1.164 175.112 176.600 -0.540 0.000 1.015 276 E CA -0.400 55.833 56.400 -0.278 0.000 0.823 276 E CB 1.260 30.818 29.700 -0.236 0.000 1.081 276 E HN 0.353 nan 8.360 nan 0.000 0.396 277 F N 1.513 121.400 119.950 -0.106 0.000 2.563 277 F HA 0.379 4.906 4.527 0.001 0.000 0.316 277 F C -0.161 175.638 175.800 -0.003 0.000 1.076 277 F CA -0.967 57.069 58.000 0.060 0.000 0.921 277 F CB 1.119 40.323 39.000 0.340 0.000 1.209 277 F HN 0.163 nan 8.300 nan 0.000 0.462 278 L N 2.733 124.134 121.223 0.297 0.000 2.292 278 L HA 0.367 4.707 4.340 0.001 0.000 0.284 278 L C -1.034 176.064 176.870 0.380 0.000 1.065 278 L CA -0.429 54.559 54.840 0.245 0.000 0.806 278 L CB 1.044 43.189 42.059 0.144 0.000 1.175 278 L HN 0.534 nan 8.230 nan 0.000 0.431 279 F N 3.737 123.730 119.950 0.072 0.000 2.460 279 F HA 0.483 5.011 4.527 0.001 0.000 0.341 279 F C -0.267 175.498 175.800 -0.058 0.000 1.130 279 F CA -0.216 57.723 58.000 -0.102 0.000 0.962 279 F CB 1.129 39.954 39.000 -0.292 0.000 1.171 279 F HN 0.468 nan 8.300 nan 0.000 0.436 280 E N 4.834 124.699 120.200 -0.558 0.000 2.321 280 E HA 0.236 4.587 4.350 0.001 0.000 0.278 280 E C -0.808 175.499 176.600 -0.488 0.000 0.902 280 E CA -0.656 55.489 56.400 -0.425 0.000 0.758 280 E CB 1.128 30.738 29.700 -0.150 0.000 1.213 280 E HN 0.731 nan 8.360 nan 0.000 0.426 281 N N 2.394 120.841 118.700 -0.422 0.000 2.727 281 N HA -0.230 4.510 4.740 0.001 0.000 0.249 281 N C 0.491 175.770 175.510 -0.385 0.000 1.048 281 N CA 1.486 54.356 53.050 -0.301 0.000 0.714 281 N CB -1.340 37.054 38.487 -0.155 0.000 0.959 281 N HN 0.974 nan 8.380 nan 0.000 0.544 282 G N -1.148 107.244 108.800 -0.679 0.000 2.153 282 G HA2 -0.313 3.648 3.960 0.001 0.000 0.252 282 G HA3 -0.313 3.648 3.960 0.001 0.000 0.252 282 G C -0.308 174.317 174.900 -0.458 0.000 0.994 282 G CA 0.740 45.548 45.100 -0.487 0.000 0.698 282 G HN 0.511 nan 8.290 nan 0.000 0.521 283 E N -0.748 119.030 120.200 -0.702 0.000 2.222 283 E HA 0.602 4.952 4.350 0.001 0.000 0.267 283 E C -0.662 175.596 176.600 -0.570 0.000 0.884 283 E CA -0.795 55.305 56.400 -0.500 0.000 0.764 283 E CB 1.355 30.789 29.700 -0.444 0.000 1.169 283 E HN 0.117 nan 8.360 nan 0.000 0.413 284 F N 1.476 121.265 119.950 -0.268 0.000 2.394 284 F HA 0.332 4.859 4.527 0.001 0.000 0.340 284 F C -0.190 175.430 175.800 -0.300 0.000 1.105 284 F CA -0.421 57.497 58.000 -0.136 0.000 1.124 284 F CB 0.759 39.561 39.000 -0.331 0.000 1.145 284 F HN 0.304 nan 8.300 nan 0.000 0.505 285 Y N 3.096 123.720 120.300 0.539 0.000 2.322 285 Y HA 0.259 4.809 4.550 0.001 0.000 0.324 285 Y C -0.394 175.827 175.900 0.534 0.000 1.027 285 Y CA -1.339 57.036 58.100 0.459 0.000 1.179 285 Y CB 1.090 39.686 38.460 0.227 0.000 1.136 285 Y HN 0.492 nan 8.280 nan 0.000 0.449 286 F N 5.602 125.835 119.950 0.471 0.000 2.572 286 F HA 0.193 4.721 4.527 0.001 0.000 0.370 286 F C 0.803 176.611 175.800 0.013 0.000 1.103 286 F CA 0.195 58.175 58.000 -0.034 0.000 1.286 286 F CB 0.623 39.576 39.000 -0.079 0.000 1.105 286 F HN 0.570 nan 8.300 nan 0.000 0.583 287 I N 0.718 120.711 120.570 -0.961 0.000 4.197 287 I HA 0.360 4.530 4.170 0.001 0.000 0.307 287 I C -0.687 174.826 176.117 -1.007 0.000 1.236 287 I CA -0.112 60.776 61.300 -0.688 0.000 1.321 287 I CB 0.203 38.038 38.000 -0.275 0.000 1.309 287 I HN 0.562 nan 8.210 nan 0.000 0.450 288 E N 1.588 120.978 120.200 -1.350 0.000 2.401 288 E HA 0.410 4.760 4.350 0.001 0.000 0.280 288 E C -1.531 174.803 176.600 -0.444 0.000 1.039 288 E CA -0.899 55.031 56.400 -0.784 0.000 0.814 288 E CB 2.095 31.613 29.700 -0.303 0.000 1.275 288 E HN 0.163 nan 8.360 nan 0.000 0.448 289 M N 2.346 121.914 119.600 -0.053 0.000 2.243 289 M HA 0.374 4.854 4.480 0.001 0.000 0.324 289 M C -1.514 174.708 176.300 -0.129 0.000 1.031 289 M CA -0.694 54.530 55.300 -0.128 0.000 0.949 289 M CB 1.329 33.799 32.600 -0.216 0.000 1.615 289 M HN 0.437 nan 8.290 nan 0.000 0.430 290 N N 3.688 122.302 118.700 -0.144 0.000 2.414 290 N HA 0.169 4.909 4.740 0.001 0.000 0.256 290 N C -0.331 175.156 175.510 -0.038 0.000 1.029 290 N CA -0.053 52.965 53.050 -0.054 0.000 0.948 290 N CB 1.218 39.695 38.487 -0.018 0.000 1.102 290 N HN 0.610 nan 8.380 nan 0.000 0.496 291 T N 0.377 114.965 114.554 0.056 0.000 3.783 291 T HA 0.375 4.725 4.350 0.001 0.000 0.262 291 T C 0.402 175.227 174.700 0.208 0.000 1.381 291 T CA -0.689 61.528 62.100 0.196 0.000 1.155 291 T CB -0.503 68.511 68.868 0.242 0.000 1.256 291 T HN 0.708 nan 8.240 nan 0.000 0.807 292 R N -0.957 119.641 120.500 0.165 0.000 2.829 292 R HA 0.554 4.895 4.340 0.001 0.000 0.283 292 R C -1.559 174.811 176.300 0.116 0.000 1.013 292 R CA -1.213 54.968 56.100 0.135 0.000 0.848 292 R CB 0.187 30.581 30.300 0.157 0.000 1.291 292 R HN 0.130 nan 8.270 nan 0.000 0.496 293 I N 1.098 121.735 120.570 0.111 0.000 2.836 293 I HA 0.079 4.249 4.170 0.001 0.000 0.285 293 I C -0.217 176.004 176.117 0.174 0.000 1.174 293 I CA 0.518 61.877 61.300 0.098 0.000 1.405 293 I CB 0.850 38.859 38.000 0.016 0.000 1.385 293 I HN 0.501 nan 8.210 nan 0.000 0.594 294 Q N 3.702 123.603 119.800 0.168 0.000 2.297 294 Q HA 0.327 4.667 4.340 0.001 0.000 0.268 294 Q C 0.938 177.028 176.000 0.149 0.000 1.045 294 Q CA -0.894 54.977 55.803 0.112 0.000 0.861 294 Q CB 1.989 30.761 28.738 0.056 0.000 1.344 294 Q HN 0.552 nan 8.270 nan 0.000 0.452 295 V N 1.289 121.049 119.914 -0.256 0.000 2.278 295 V HA -0.302 3.818 4.120 0.001 0.000 0.251 295 V C 1.840 177.899 176.094 -0.059 0.000 1.062 295 V CA 2.440 64.553 62.300 -0.311 0.000 1.038 295 V CB -0.541 30.987 31.823 -0.491 0.000 0.646 295 V HN 0.856 nan 8.190 nan 0.000 0.447 296 E N 0.817 120.985 120.200 -0.055 0.000 2.445 296 E HA -0.156 4.194 4.350 0.001 0.000 0.189 296 E C 1.734 178.313 176.600 -0.034 0.000 1.069 296 E CA 0.495 56.861 56.400 -0.056 0.000 0.871 296 E CB -0.805 28.874 29.700 -0.034 0.000 0.991 296 E HN 0.921 nan 8.360 nan 0.000 0.481 297 H N 1.061 120.144 119.070 0.022 0.000 2.426 297 H HA -0.006 4.550 4.556 0.001 0.000 0.298 297 H C -0.966 174.382 175.328 0.033 0.000 1.107 297 H CA 1.141 57.212 56.048 0.039 0.000 1.298 297 H CB -1.742 28.054 29.762 0.057 0.000 1.377 297 H HN 0.165 nan 8.280 nan 0.000 0.519 298 P HA -0.154 nan 4.420 nan 0.000 0.217 298 P C 2.290 179.544 177.300 -0.076 0.000 1.148 298 P CA 2.030 64.970 63.100 -0.267 0.000 0.828 298 P CB -0.267 31.255 31.700 -0.296 0.000 0.783 299 V N -3.779 116.108 119.914 -0.046 0.000 2.407 299 V HA -0.217 3.903 4.120 0.001 0.000 0.248 299 V C 1.917 178.022 176.094 0.018 0.000 1.055 299 V CA 2.505 64.808 62.300 0.004 0.000 1.049 299 V CB -2.241 29.587 31.823 0.008 0.000 0.662 299 V HN 0.066 nan 8.190 nan 0.000 0.455 300 T N 0.443 115.013 114.554 0.028 0.000 2.777 300 T HA -0.114 4.236 4.350 0.001 0.000 0.266 300 T C 1.808 176.530 174.700 0.038 0.000 1.040 300 T CA 1.882 64.008 62.100 0.043 0.000 1.141 300 T CB -0.318 68.594 68.868 0.073 0.000 0.868 300 T HN 0.691 nan 8.240 nan 0.000 0.444 301 E N 0.854 121.080 120.200 0.042 0.000 2.085 301 E HA -0.127 4.223 4.350 0.001 0.000 0.194 301 E C 2.233 178.820 176.600 -0.022 0.000 0.994 301 E CA 1.028 57.445 56.400 0.028 0.000 0.801 301 E CB -0.175 29.555 29.700 0.051 0.000 0.743 301 E HN 0.346 nan 8.360 nan 0.000 0.453 302 M N 0.373 119.953 119.600 -0.034 0.000 2.117 302 M HA -0.109 4.372 4.480 0.001 0.000 0.262 302 M C 2.575 178.788 176.300 -0.147 0.000 1.065 302 M CA 1.324 56.551 55.300 -0.122 0.000 1.114 302 M CB -0.908 31.686 32.600 -0.011 0.000 1.361 302 M HN 0.229 nan 8.290 nan 0.000 0.408 303 I N -2.478 118.105 120.570 0.023 0.000 3.419 303 I HA 0.003 4.173 4.170 0.001 0.000 0.286 303 I C 1.752 177.900 176.117 0.050 0.000 1.268 303 I CA 1.210 62.569 61.300 0.099 0.000 1.414 303 I CB -0.542 37.523 38.000 0.109 0.000 1.074 303 I HN 0.244 nan 8.210 nan 0.000 0.457 304 T N -3.639 110.922 114.554 0.012 0.000 2.955 304 T HA 0.440 4.790 4.350 0.001 0.000 0.251 304 T C 1.653 176.351 174.700 -0.004 0.000 1.002 304 T CA 0.492 62.598 62.100 0.010 0.000 0.970 304 T CB 0.462 69.330 68.868 -0.000 0.000 1.091 304 T HN 0.570 nan 8.240 nan 0.000 0.495 305 G N 1.196 109.979 108.800 -0.027 0.000 2.179 305 G HA2 -0.230 3.730 3.960 0.001 0.000 0.260 305 G HA3 -0.230 3.730 3.960 0.001 0.000 0.260 305 G C 0.065 174.958 174.900 -0.011 0.000 0.977 305 G CA 0.066 45.148 45.100 -0.030 0.000 0.641 305 G HN 0.760 nan 8.290 nan 0.000 0.533 306 V N 1.680 121.592 119.914 -0.002 0.000 2.461 306 V HA 0.374 4.495 4.120 0.001 0.000 0.275 306 V C 0.313 176.422 176.094 0.025 0.000 1.047 306 V CA -0.557 61.747 62.300 0.007 0.000 0.955 306 V CB 1.742 33.567 31.823 0.003 0.000 0.988 306 V HN 0.336 nan 8.190 nan 0.000 0.471 307 D N 4.537 124.952 120.400 0.024 0.000 2.393 307 D HA 0.184 4.824 4.640 0.001 0.000 0.232 307 D C 0.901 177.224 176.300 0.037 0.000 1.192 307 D CA -0.003 54.020 54.000 0.039 0.000 0.882 307 D CB 1.240 42.056 40.800 0.027 0.000 1.038 307 D HN 0.455 nan 8.370 nan 0.000 0.499 308 L N 4.083 125.341 121.223 0.058 0.000 2.109 308 L HA -0.143 4.197 4.340 0.001 0.000 0.207 308 L C 2.160 179.020 176.870 -0.016 0.000 1.086 308 L CA 0.437 55.294 54.840 0.028 0.000 0.760 308 L CB -0.102 41.986 42.059 0.049 0.000 0.910 308 L HN 0.520 nan 8.230 nan 0.000 0.437 309 I N 0.090 120.638 120.570 -0.037 0.000 2.202 309 I HA -0.257 3.913 4.170 0.001 0.000 0.242 309 I C 2.409 178.532 176.117 0.010 0.000 1.091 309 I CA 1.524 62.807 61.300 -0.027 0.000 1.368 309 I CB -0.995 36.968 38.000 -0.062 0.000 1.058 309 I HN 0.260 nan 8.210 nan 0.000 0.410 310 K N 0.577 120.982 120.400 0.008 0.000 2.103 310 K HA -0.189 4.132 4.320 0.001 0.000 0.207 310 K C 2.000 178.603 176.600 0.004 0.000 1.048 310 K CA 1.177 57.469 56.287 0.008 0.000 0.930 310 K CB -0.011 32.494 32.500 0.009 0.000 0.716 310 K HN 0.278 nan 8.250 nan 0.000 0.444 311 E N 0.939 121.142 120.200 0.004 0.000 2.072 311 E HA -0.190 4.160 4.350 0.001 0.000 0.191 311 E C 2.044 178.638 176.600 -0.011 0.000 0.985 311 E CA 1.117 57.517 56.400 -0.000 0.000 0.801 311 E CB -0.118 29.585 29.700 0.006 0.000 0.750 311 E HN 0.395 nan 8.360 nan 0.000 0.452 312 Q N 0.245 120.036 119.800 -0.015 0.000 2.112 312 Q HA -0.136 4.204 4.340 0.001 0.000 0.206 312 Q C 2.446 178.407 176.000 -0.064 0.000 0.987 312 Q CA 1.148 56.920 55.803 -0.051 0.000 0.858 312 Q CB -0.181 28.524 28.738 -0.054 0.000 0.905 312 Q HN 0.280 nan 8.270 nan 0.000 0.420 313 L N -0.229 120.979 121.223 -0.025 0.000 2.109 313 L HA -0.150 4.191 4.340 0.001 0.000 0.207 313 L C 2.476 179.332 176.870 -0.023 0.000 1.086 313 L CA 0.998 55.827 54.840 -0.019 0.000 0.760 313 L CB -0.302 41.764 42.059 0.012 0.000 0.910 313 L HN 0.133 nan 8.230 nan 0.000 0.437 314 R N 0.172 120.662 120.500 -0.017 0.000 2.075 314 R HA -0.089 4.251 4.340 0.001 0.000 0.232 314 R C 2.311 178.598 176.300 -0.022 0.000 1.126 314 R CA 1.273 57.364 56.100 -0.015 0.000 0.963 314 R CB -0.378 29.917 30.300 -0.009 0.000 0.858 314 R HN 0.281 nan 8.270 nan 0.000 0.435 315 I N 0.744 121.297 120.570 -0.029 0.000 2.163 315 I HA -0.290 3.881 4.170 0.001 0.000 0.243 315 I C 2.571 178.660 176.117 -0.047 0.000 1.085 315 I CA 1.407 62.686 61.300 -0.036 0.000 1.347 315 I CB -0.393 37.583 38.000 -0.040 0.000 1.044 315 I HN 0.208 nan 8.210 nan 0.000 0.408 316 A N 0.538 123.320 122.820 -0.063 0.000 1.972 316 A HA -0.059 4.261 4.320 0.001 0.000 0.219 316 A C 2.348 179.908 177.584 -0.039 0.000 1.169 316 A CA 1.560 53.556 52.037 -0.068 0.000 0.635 316 A CB -0.658 18.281 19.000 -0.103 0.000 0.810 316 A HN 0.436 nan 8.150 nan 0.000 0.446 317 A N -1.690 121.113 122.820 -0.029 0.000 2.235 317 A HA 0.398 4.719 4.320 0.001 0.000 0.208 317 A C 1.744 179.318 177.584 -0.017 0.000 1.172 317 A CA 1.195 53.222 52.037 -0.017 0.000 0.786 317 A CB -1.012 17.981 19.000 -0.012 0.000 0.804 317 A HN 1.863 nan 8.150 nan 0.000 0.479 318 G N -1.362 107.425 108.800 -0.021 0.000 2.141 318 G HA2 -0.242 3.719 3.960 0.001 0.000 0.242 318 G HA3 -0.242 3.719 3.960 0.001 0.000 0.242 318 G C -0.008 174.883 174.900 -0.015 0.000 0.982 318 G CA 0.205 45.294 45.100 -0.018 0.000 0.662 318 G HN 0.626 nan 8.290 nan 0.000 0.527 319 Q N 1.445 121.236 119.800 -0.015 0.000 2.288 319 Q HA 0.390 4.730 4.340 0.001 0.000 0.258 319 Q C -1.986 174.008 176.000 -0.011 0.000 0.957 319 Q CA -1.626 54.171 55.803 -0.011 0.000 0.919 319 Q CB 1.428 30.160 28.738 -0.010 0.000 1.185 319 Q HN 0.305 nan 8.270 nan 0.000 0.408 320 P HA -0.033 nan 4.420 nan 0.000 0.270 320 P C -0.460 176.837 177.300 -0.005 0.000 1.223 320 P CA -0.086 63.011 63.100 -0.006 0.000 0.785 320 P CB 0.707 32.404 31.700 -0.005 0.000 0.923 321 L N 1.577 122.798 121.223 -0.003 0.000 2.559 321 L HA -0.039 4.301 4.340 0.001 0.000 0.274 321 L C 1.857 178.722 176.870 -0.009 0.000 1.205 321 L CA 0.324 55.162 54.840 -0.004 0.000 0.907 321 L CB -0.040 42.018 42.059 -0.001 0.000 1.153 321 L HN 0.515 nan 8.230 nan 0.000 0.490 322 S N 3.024 118.718 115.700 -0.011 0.000 2.492 322 S HA 0.183 4.654 4.470 0.001 0.000 0.218 322 S C 0.621 175.209 174.600 -0.019 0.000 1.016 322 S CA -0.310 57.883 58.200 -0.012 0.000 0.916 322 S CB -0.013 63.181 63.200 -0.009 0.000 0.791 322 S HN 0.455 nan 8.310 nan 0.000 0.513 323 I N 2.720 123.275 120.570 -0.024 0.000 2.436 323 I HA 0.283 4.453 4.170 0.001 0.000 0.289 323 I C -0.030 176.055 176.117 -0.052 0.000 1.083 323 I CA -0.440 60.836 61.300 -0.040 0.000 1.372 323 I CB 0.591 38.563 38.000 -0.046 0.000 1.408 323 I HN -0.045 nan 8.210 nan 0.000 0.516 324 K N 4.015 124.378 120.400 -0.061 0.000 2.118 324 K HA 0.165 4.485 4.320 0.001 0.000 0.264 324 K C 0.672 177.200 176.600 -0.120 0.000 1.000 324 K CA -0.455 55.790 56.287 -0.070 0.000 0.929 324 K CB 0.819 33.289 32.500 -0.051 0.000 1.021 324 K HN 0.339 nan 8.250 nan 0.000 0.463 325 Q N 1.805 121.527 119.800 -0.130 0.000 2.135 325 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 325 Q C 1.183 177.040 176.000 -0.240 0.000 0.981 325 Q CA 1.889 57.564 55.803 -0.213 0.000 0.856 325 Q CB 0.038 28.674 28.738 -0.170 0.000 0.902 325 Q HN 0.685 nan 8.270 nan 0.000 0.425 326 E N -0.301 119.805 120.200 -0.155 0.000 2.409 326 E HA -0.190 4.161 4.350 0.001 0.000 0.198 326 E C 0.811 177.278 176.600 -0.222 0.000 1.024 326 E CA 1.132 57.451 56.400 -0.135 0.000 0.861 326 E CB -0.075 29.602 29.700 -0.040 0.000 0.788 326 E HN 0.574 nan 8.360 nan 0.000 0.521 327 E N 0.597 120.652 120.200 -0.242 0.000 2.474 327 E HA 0.099 4.449 4.350 0.001 0.000 0.194 327 E C -0.191 176.144 176.600 -0.442 0.000 1.041 327 E CA -0.095 56.163 56.400 -0.236 0.000 0.874 327 E CB 0.936 30.579 29.700 -0.094 0.000 0.914 327 E HN -0.006 nan 8.360 nan 0.000 0.498 328 V N 1.910 121.506 119.914 -0.529 0.000 2.406 328 V HA 0.169 4.290 4.120 0.001 0.000 0.272 328 V C -0.627 175.113 176.094 -0.591 0.000 1.043 328 V CA -0.239 61.798 62.300 -0.438 0.000 0.915 328 V CB 0.414 32.031 31.823 -0.344 0.000 0.988 328 V HN 0.189 nan 8.190 nan 0.000 0.466 329 H N 1.878 120.921 119.070 -0.044 0.000 2.667 329 H HA 0.532 5.088 4.556 0.001 0.000 0.353 329 H C -0.621 174.708 175.328 0.001 0.000 1.072 329 H CA -0.873 55.164 56.048 -0.018 0.000 1.214 329 H CB 1.944 31.704 29.762 -0.005 0.000 1.600 329 H HN 0.437 nan 8.280 nan 0.000 0.527 330 V N 3.537 123.531 119.914 0.134 0.000 2.508 330 V HA 0.227 4.347 4.120 0.001 0.000 0.281 330 V C 0.279 176.443 176.094 0.116 0.000 1.041 330 V CA 0.056 62.416 62.300 0.101 0.000 1.016 330 V CB 0.536 32.407 31.823 0.079 0.000 0.984 330 V HN 0.693 nan 8.190 nan 0.000 0.478 331 R N 3.486 124.064 120.500 0.131 0.000 2.538 331 R HA 0.596 4.937 4.340 0.001 0.000 0.292 331 R C 0.325 176.773 176.300 0.248 0.000 1.008 331 R CA 0.487 56.680 56.100 0.155 0.000 0.896 331 R CB 1.701 32.089 30.300 0.147 0.000 1.187 331 R HN 1.043 nan 8.270 nan 0.000 0.440 332 G N 2.266 111.161 108.800 0.157 0.000 2.601 332 G HA2 -0.315 3.646 3.960 0.001 0.000 0.252 332 G HA3 -0.315 3.646 3.960 0.001 0.000 0.252 332 G C -1.125 173.807 174.900 0.053 0.000 1.294 332 G CA 0.337 45.450 45.100 0.020 0.000 0.912 332 G HN 0.870 nan 8.290 nan 0.000 0.574 333 H N -0.922 118.006 119.070 -0.237 0.000 3.038 333 H HA 0.674 5.230 4.556 0.001 0.000 0.362 333 H C -0.150 175.131 175.328 -0.079 0.000 1.167 333 H CA 0.384 56.370 56.048 -0.103 0.000 1.197 333 H CB 1.483 31.166 29.762 -0.132 0.000 1.840 333 H HN 1.462 nan 8.280 nan 0.000 0.540 334 A N 3.452 126.273 122.820 0.002 0.000 2.435 334 A HA 0.699 5.019 4.320 0.001 0.000 0.304 334 A C -1.466 176.198 177.584 0.132 0.000 1.064 334 A CA -0.589 51.529 52.037 0.134 0.000 0.727 334 A CB 1.543 20.646 19.000 0.173 0.000 1.284 334 A HN 0.414 nan 8.150 nan 0.000 0.415 335 V N 1.408 121.424 119.914 0.170 0.000 2.656 335 V HA 0.533 4.653 4.120 0.001 0.000 0.307 335 V C -0.222 175.946 176.094 0.124 0.000 1.051 335 V CA -0.510 61.899 62.300 0.181 0.000 0.893 335 V CB 1.713 33.687 31.823 0.252 0.000 0.999 335 V HN 0.983 nan 8.190 nan 0.000 0.426 336 E N 2.962 123.218 120.200 0.093 0.000 2.176 336 E HA 0.487 4.838 4.350 0.001 0.000 0.267 336 E C -1.509 175.121 176.600 0.050 0.000 0.893 336 E CA -0.454 55.981 56.400 0.059 0.000 0.761 336 E CB 1.572 31.281 29.700 0.016 0.000 1.133 336 E HN 0.742 nan 8.360 nan 0.000 0.409 337 C N 4.966 124.302 119.300 0.059 0.000 2.264 337 C HA 0.438 4.898 4.460 0.001 0.000 0.324 337 C C 0.186 175.210 174.990 0.057 0.000 1.267 337 C CA -0.728 58.319 59.018 0.048 0.000 1.618 337 C CB -0.013 27.764 27.740 0.061 0.000 2.278 337 C HN 0.734 nan 8.230 nan 0.000 0.499 338 R N 3.055 123.574 120.500 0.032 0.000 2.442 338 R HA 0.350 4.690 4.340 0.001 0.000 0.291 338 R C -0.384 175.960 176.300 0.074 0.000 1.069 338 R CA -0.034 56.086 56.100 0.032 0.000 1.022 338 R CB 0.390 30.694 30.300 0.007 0.000 0.976 338 R HN 0.544 nan 8.270 nan 0.000 0.443 339 I N 3.499 124.126 120.570 0.096 0.000 2.312 339 I HA 0.219 4.389 4.170 0.001 0.000 0.290 339 I C -0.410 175.777 176.117 0.117 0.000 1.008 339 I CA -0.710 60.676 61.300 0.144 0.000 1.226 339 I CB 0.975 39.131 38.000 0.260 0.000 1.371 339 I HN 0.524 nan 8.210 nan 0.000 0.468 340 N N 3.962 122.731 118.700 0.115 0.000 2.321 340 N HA 0.553 5.294 4.740 0.001 0.000 0.299 340 N C -0.114 175.459 175.510 0.105 0.000 1.048 340 N CA -0.545 52.571 53.050 0.110 0.000 0.836 340 N CB 2.041 40.596 38.487 0.114 0.000 1.269 340 N HN 0.649 nan 8.380 nan 0.000 0.486 341 A N 2.061 124.940 122.820 0.097 0.000 2.906 341 A HA 0.318 4.638 4.320 0.001 0.000 0.289 341 A C -0.177 177.448 177.584 0.068 0.000 1.675 341 A CA 0.046 52.129 52.037 0.076 0.000 1.372 341 A CB -0.837 18.206 19.000 0.072 0.000 1.091 341 A HN 0.733 nan 8.150 nan 0.000 0.579 342 E N 1.204 121.442 120.200 0.064 0.000 2.401 342 E HA 0.199 4.549 4.350 0.001 0.000 0.280 342 E C -1.682 174.914 176.600 -0.006 0.000 1.039 342 E CA -0.969 55.468 56.400 0.061 0.000 0.814 342 E CB 0.673 30.464 29.700 0.150 0.000 1.275 342 E HN 0.262 nan 8.360 nan 0.000 0.448 343 D N 2.429 122.792 120.400 -0.061 0.000 2.458 343 D HA 0.031 4.672 4.640 0.001 0.000 0.243 343 D C -1.235 174.837 176.300 -0.379 0.000 1.146 343 D CA -1.455 52.448 54.000 -0.162 0.000 0.877 343 D CB 1.247 41.959 40.800 -0.147 0.000 1.176 343 D HN 0.230 nan 8.370 nan 0.000 0.461 344 P HA -0.066 nan 4.420 nan 0.000 0.230 344 P C 0.389 177.297 177.300 -0.652 0.000 1.158 344 P CA 0.764 63.616 63.100 -0.413 0.000 0.769 344 P CB 0.585 32.177 31.700 -0.181 0.000 0.807 345 N N -1.117 117.227 118.700 -0.594 0.000 2.557 345 N HA -0.005 4.735 4.740 0.001 0.000 0.217 345 N C 1.670 176.925 175.510 -0.426 0.000 1.062 345 N CA 1.492 54.275 53.050 -0.445 0.000 0.863 345 N CB -0.180 38.186 38.487 -0.201 0.000 1.390 345 N HN 0.210 nan 8.380 nan 0.000 0.445 346 T N -2.314 112.029 114.554 -0.351 0.000 3.015 346 T HA 0.166 4.516 4.350 0.001 0.000 0.250 346 T C 0.451 175.193 174.700 0.070 0.000 1.057 346 T CA -0.035 62.014 62.100 -0.086 0.000 1.066 346 T CB -0.187 68.656 68.868 -0.041 0.000 0.959 346 T HN 0.101 nan 8.240 nan 0.000 0.488 347 F N -0.595 119.354 119.950 -0.001 0.000 2.988 347 F HA -0.135 4.393 4.527 0.001 0.000 0.287 347 F C 0.262 176.062 175.800 0.001 0.000 0.781 347 F CA -0.332 57.669 58.000 0.001 0.000 1.221 347 F CB -2.450 36.551 39.000 0.001 0.000 1.392 347 F HN 0.316 nan 8.300 nan 0.000 0.425 348 L N 3.294 124.568 121.223 0.085 0.000 2.499 348 L HA 0.325 4.665 4.340 0.001 0.000 0.273 348 L C -1.758 175.139 176.870 0.045 0.000 1.195 348 L CA -1.161 53.710 54.840 0.052 0.000 0.882 348 L CB 0.109 42.176 42.059 0.014 0.000 1.133 348 L HN -0.272 nan 8.230 nan 0.000 0.483 349 P HA 0.023 nan 4.420 nan 0.000 0.266 349 P C -1.026 176.279 177.300 0.008 0.000 1.195 349 P CA 0.070 63.189 63.100 0.032 0.000 0.768 349 P CB 0.675 32.384 31.700 0.016 0.000 0.838 350 S N 3.136 118.843 115.700 0.011 0.000 2.060 350 S HA 0.358 4.828 4.470 0.001 0.000 0.156 350 S C -2.412 172.181 174.600 -0.012 0.000 1.690 350 S CA -1.741 56.456 58.200 -0.005 0.000 1.238 350 S CB -0.310 62.891 63.200 0.001 0.000 1.150 350 S HN 0.236 nan 8.310 nan 0.000 0.437 351 P HA 0.632 nan 4.420 nan 0.000 0.274 351 P C 0.383 177.641 177.300 -0.069 0.000 1.246 351 P CA 0.253 63.318 63.100 -0.059 0.000 0.795 351 P CB 0.951 32.585 31.700 -0.110 0.000 1.006 352 G N -0.441 108.304 108.800 -0.092 0.000 2.369 352 G HA2 0.054 4.014 3.960 0.001 0.000 0.295 352 G HA3 0.054 4.014 3.960 0.001 0.000 0.295 352 G C -1.577 173.252 174.900 -0.117 0.000 1.298 352 G CA -0.862 44.182 45.100 -0.094 0.000 0.940 352 G HN 0.645 nan 8.290 nan 0.000 0.536 353 K N 0.205 120.547 120.400 -0.095 0.000 2.297 353 K HA 0.506 4.826 4.320 0.001 0.000 0.286 353 K C 0.263 176.830 176.600 -0.054 0.000 1.053 353 K CA -0.506 55.722 56.287 -0.099 0.000 0.940 353 K CB 0.263 32.725 32.500 -0.064 0.000 1.019 353 K HN 0.349 nan 8.250 nan 0.000 0.475 354 I N 5.082 125.619 120.570 -0.055 0.000 2.421 354 I HA -0.035 4.135 4.170 0.001 0.000 0.291 354 I C 1.529 177.671 176.117 0.041 0.000 1.089 354 I CA -0.102 61.202 61.300 0.007 0.000 1.354 354 I CB 1.119 39.125 38.000 0.011 0.000 1.413 354 I HN 0.810 nan 8.210 nan 0.000 0.513 355 T N 2.841 117.427 114.554 0.054 0.000 3.051 355 T HA 0.106 4.457 4.350 0.001 0.000 0.255 355 T C 0.828 175.581 174.700 0.088 0.000 1.085 355 T CA 0.085 62.221 62.100 0.059 0.000 1.109 355 T CB 0.240 69.132 68.868 0.039 0.000 0.921 355 T HN 0.547 nan 8.240 nan 0.000 0.488 356 R N -0.367 120.200 120.500 0.112 0.000 2.548 356 R HA 0.603 4.943 4.340 0.001 0.000 0.280 356 R C -2.374 174.058 176.300 0.221 0.000 1.061 356 R CA -1.010 55.170 56.100 0.134 0.000 0.915 356 R CB 1.709 32.054 30.300 0.075 0.000 1.210 356 R HN 0.295 nan 8.270 nan 0.000 0.442 357 F N 3.292 123.283 119.950 0.067 0.000 2.574 357 F HA 0.441 4.968 4.527 0.001 0.000 0.313 357 F C -1.627 174.227 175.800 0.090 0.000 1.130 357 F CA -0.587 57.449 58.000 0.061 0.000 0.936 357 F CB 1.751 40.794 39.000 0.072 0.000 1.219 357 F HN 0.716 nan 8.300 nan 0.000 0.445 358 H N 4.145 122.640 119.070 -0.958 0.000 2.782 358 H HA 0.721 5.277 4.556 0.000 0.000 0.347 358 H C -1.264 173.325 175.328 -1.232 0.000 1.038 358 H CA -0.310 55.178 56.048 -0.932 0.000 1.255 358 H CB 1.762 31.266 29.762 -0.429 0.000 1.623 358 H HN 0.895 nan 8.280 nan 0.000 0.525 359 A N 5.957 127.856 122.820 -1.535 0.000 2.316 359 A HA 0.483 4.803 4.320 0.001 0.000 0.284 359 A C -2.338 174.784 177.584 -0.771 0.000 1.115 359 A CA -1.432 49.873 52.037 -1.219 0.000 0.812 359 A CB -0.011 18.418 19.000 -0.951 0.000 1.064 359 A HN 0.617 nan 8.150 nan 0.000 0.489 360 P HA 0.449 nan 4.420 nan 0.000 0.274 360 P C 0.169 177.377 177.300 -0.153 0.000 1.237 360 P CA 0.135 63.086 63.100 -0.249 0.000 0.793 360 P CB 1.389 32.993 31.700 -0.160 0.000 0.977 361 G N -1.362 107.402 108.800 -0.059 0.000 3.176 361 G HA2 0.748 4.709 3.960 0.001 0.000 0.272 361 G HA3 0.748 4.709 3.960 0.001 0.000 0.272 361 G C -0.509 174.422 174.900 0.052 0.000 1.349 361 G CA -0.605 44.497 45.100 0.003 0.000 0.953 361 G HN 0.819 nan 8.290 nan 0.000 0.559 362 G N -2.039 106.813 108.800 0.086 0.000 2.479 362 G HA2 0.383 4.343 3.960 0.001 0.000 0.686 362 G HA3 0.383 4.343 3.960 0.001 0.000 0.686 362 G C -0.779 174.252 174.900 0.219 0.000 1.295 362 G CA -0.455 44.724 45.100 0.131 0.000 0.922 362 G HN 1.347 nan 8.290 nan 0.000 0.582 363 F N 2.041 122.023 119.950 0.053 0.000 2.578 363 F HA 0.452 4.980 4.527 0.001 0.000 0.381 363 F C 1.663 177.522 175.800 0.099 0.000 1.069 363 F CA 0.902 58.944 58.000 0.071 0.000 1.231 363 F CB 0.618 39.656 39.000 0.064 0.000 1.086 363 F HN 2.201 nan 8.300 nan 0.000 0.564 364 G N 3.786 112.604 108.800 0.031 0.000 2.162 364 G HA2 -0.193 3.767 3.960 0.001 0.000 0.260 364 G HA3 -0.193 3.767 3.960 0.001 0.000 0.260 364 G C -0.412 174.538 174.900 0.084 0.000 0.976 364 G CA 0.155 45.234 45.100 -0.034 0.000 0.655 364 G HN 0.772 nan 8.290 nan 0.000 0.533 365 V N 1.122 121.105 119.914 0.115 0.000 2.350 365 V HA 0.641 4.762 4.120 0.001 0.000 0.276 365 V C 0.574 176.754 176.094 0.143 0.000 1.028 365 V CA -0.496 61.878 62.300 0.124 0.000 0.860 365 V CB 1.495 33.384 31.823 0.110 0.000 0.990 365 V HN 0.465 nan 8.190 nan 0.000 0.453 366 R N 5.247 125.841 120.500 0.157 0.000 2.439 366 R HA 0.341 4.682 4.340 0.001 0.000 0.310 366 R C -1.371 175.079 176.300 0.249 0.000 0.955 366 R CA -0.595 55.603 56.100 0.163 0.000 0.853 366 R CB 1.391 31.749 30.300 0.095 0.000 1.171 366 R HN 0.830 nan 8.270 nan 0.000 0.449 367 W N 6.352 127.680 121.300 0.046 0.000 2.417 367 W HA 0.327 4.988 4.660 0.001 0.000 0.315 367 W C -1.258 175.297 176.519 0.060 0.000 1.045 367 W CA -0.601 56.780 57.345 0.061 0.000 1.221 367 W CB 1.701 31.207 29.460 0.076 0.000 1.309 367 W HN 0.530 nan 8.180 nan 0.000 0.453 368 E N 4.836 124.697 120.200 -0.565 0.000 2.183 368 E HA 0.264 4.614 4.350 0.001 0.000 0.250 368 E C -1.067 175.057 176.600 -0.794 0.000 0.901 368 E CA -0.148 55.949 56.400 -0.506 0.000 0.741 368 E CB 1.745 31.284 29.700 -0.269 0.000 1.182 368 E HN 0.322 nan 8.360 nan 0.000 0.425 369 S N 1.405 116.663 115.700 -0.736 0.000 2.543 369 S HA 0.158 4.628 4.470 0.001 0.000 0.274 369 S C 0.239 174.720 174.600 -0.199 0.000 1.149 369 S CA -0.654 57.225 58.200 -0.534 0.000 0.866 369 S CB 0.545 63.225 63.200 -0.867 0.000 1.111 369 S HN 0.594 nan 8.310 nan 0.000 0.457 370 H N 3.427 122.362 119.070 -0.226 0.000 2.548 370 H HA 0.272 4.828 4.556 0.001 0.000 0.265 370 H C 0.994 176.163 175.328 -0.264 0.000 0.969 370 H CA 0.190 56.125 56.048 -0.189 0.000 1.155 370 H CB -0.743 28.893 29.762 -0.210 0.000 1.394 370 H HN 0.663 nan 8.280 nan 0.000 0.570 371 I N -0.227 119.916 120.570 -0.712 0.000 2.779 371 I HA 0.360 4.530 4.170 0.001 0.000 0.285 371 I C -0.651 175.164 176.117 -0.505 0.000 1.134 371 I CA -0.946 59.897 61.300 -0.761 0.000 1.398 371 I CB 0.640 38.240 38.000 -0.666 0.000 1.404 371 I HN 0.035 nan 8.210 nan 0.000 0.587 372 Y N 2.854 122.922 120.300 -0.387 0.000 2.638 372 Y HA 0.762 5.313 4.550 0.001 0.000 0.335 372 Y C -0.549 175.380 175.900 0.048 0.000 1.155 372 Y CA -1.574 56.443 58.100 -0.139 0.000 1.046 372 Y CB 0.520 38.978 38.460 -0.002 0.000 1.303 372 Y HN 0.820 nan 8.280 nan 0.000 0.460 373 A N 1.139 124.183 122.820 0.373 0.000 2.492 373 A HA 0.473 4.794 4.320 0.001 0.000 0.254 373 A C 1.350 179.096 177.584 0.270 0.000 1.091 373 A CA 0.894 53.100 52.037 0.281 0.000 0.768 373 A CB -1.204 17.966 19.000 0.283 0.000 1.028 373 A HN 2.235 nan 8.150 nan 0.000 0.498 374 G N 0.768 109.650 108.800 0.135 0.000 2.232 374 G HA2 -0.257 3.704 3.960 0.001 0.000 0.226 374 G HA3 -0.257 3.704 3.960 0.001 0.000 0.226 374 G C 0.179 175.087 174.900 0.014 0.000 0.996 374 G CA 0.359 45.531 45.100 0.121 0.000 0.626 374 G HN 1.545 nan 8.290 nan 0.000 0.509 375 Y N 2.863 122.929 120.300 -0.390 0.000 2.425 375 Y HA 0.558 5.109 4.550 0.001 0.000 0.331 375 Y C 0.424 176.159 175.900 -0.274 0.000 1.157 375 Y CA 0.652 58.384 58.100 -0.613 0.000 1.372 375 Y CB 1.007 38.678 38.460 -1.316 0.000 1.253 375 Y HN 0.061 nan 8.280 nan 0.000 0.536 376 T N 6.679 120.672 114.554 -0.935 0.000 2.744 376 T HA 0.318 4.668 4.350 0.001 0.000 0.291 376 T C -0.734 173.355 174.700 -1.019 0.000 0.957 376 T CA -0.605 61.074 62.100 -0.702 0.000 1.002 376 T CB 0.535 69.193 68.868 -0.350 0.000 0.919 376 T HN 0.475 nan 8.240 nan 0.000 0.468 377 V N 7.876 127.487 119.914 -0.505 0.000 2.415 377 V HA 0.193 4.313 4.120 0.001 0.000 0.267 377 V C -1.940 174.090 176.094 -0.106 0.000 1.042 377 V CA -1.621 60.574 62.300 -0.176 0.000 1.000 377 V CB 0.106 31.929 31.823 0.000 0.000 1.015 377 V HN 0.700 nan 8.190 nan 0.000 0.478 378 P HA 0.226 nan 4.420 nan 0.000 0.274 378 P C -2.007 175.179 177.300 -0.190 0.000 1.231 378 P CA -1.676 61.406 63.100 -0.029 0.000 0.790 378 P CB 0.227 32.114 31.700 0.311 0.000 0.951 379 P HA -0.047 nan 4.420 nan 0.000 0.241 379 P C 0.452 177.445 177.300 -0.512 0.000 1.191 379 P CA 1.127 63.932 63.100 -0.492 0.000 0.771 379 P CB -0.130 31.247 31.700 -0.539 0.000 0.929 380 Y N -1.691 118.409 120.300 -0.333 0.000 2.519 380 Y HA 0.067 4.617 4.550 0.001 0.000 0.287 380 Y C 1.161 176.703 175.900 -0.598 0.000 1.128 380 Y CA 0.127 57.868 58.100 -0.598 0.000 1.282 380 Y CB -0.492 37.393 38.460 -0.958 0.000 1.027 380 Y HN -0.071 nan 8.280 nan 0.000 0.551 381 Y N -0.803 119.630 120.300 0.222 0.000 2.805 381 Y HA 0.315 4.866 4.550 0.001 0.000 0.321 381 Y C 0.005 175.973 175.900 0.113 0.000 1.203 381 Y CA -2.123 56.097 58.100 0.200 0.000 1.165 381 Y CB 0.227 38.836 38.460 0.248 0.000 1.371 381 Y HN -0.310 nan 8.280 nan 0.000 0.564 382 D N -0.222 120.339 120.400 0.267 0.000 2.378 382 D HA 0.017 4.658 4.640 0.001 0.000 0.238 382 D C 1.052 177.440 176.300 0.145 0.000 1.180 382 D CA 0.757 54.842 54.000 0.141 0.000 0.895 382 D CB 0.924 41.778 40.800 0.089 0.000 1.192 382 D HN 0.555 nan 8.370 nan 0.000 0.438 383 S N 2.514 118.276 115.700 0.104 0.000 2.428 383 S HA -0.138 4.332 4.470 0.001 0.000 0.230 383 S C 1.197 175.866 174.600 0.115 0.000 1.014 383 S CA 0.150 58.412 58.200 0.103 0.000 0.957 383 S CB -0.220 63.033 63.200 0.089 0.000 0.784 383 S HN 0.589 nan 8.310 nan 0.000 0.499 384 M N 2.666 122.331 119.600 0.109 0.000 2.251 384 M HA 0.254 4.734 4.480 0.001 0.000 0.346 384 M C 0.591 176.979 176.300 0.147 0.000 1.499 384 M CA -0.031 55.332 55.300 0.104 0.000 1.128 384 M CB 0.423 33.067 32.600 0.073 0.000 1.809 384 M HN 0.503 nan 8.290 nan 0.000 0.464 385 I N 1.366 122.013 120.570 0.128 0.000 4.070 385 I HA 0.555 4.725 4.170 0.001 0.000 0.328 385 I C 0.594 176.710 176.117 -0.002 0.000 1.298 385 I CA -0.243 61.134 61.300 0.129 0.000 1.173 385 I CB 0.388 38.429 38.000 0.068 0.000 1.051 385 I HN 0.629 nan 8.210 nan 0.000 0.409 386 G N 1.142 109.919 108.800 -0.039 0.000 2.576 386 G HA2 0.547 4.507 3.960 0.001 0.000 0.290 386 G HA3 0.547 4.507 3.960 0.001 0.000 0.290 386 G C -1.921 172.839 174.900 -0.235 0.000 1.442 386 G CA -0.858 44.067 45.100 -0.291 0.000 0.792 386 G HN 0.058 nan 8.290 nan 0.000 0.491 387 K N -0.002 120.145 120.400 -0.421 0.000 2.507 387 K HA 0.497 4.817 4.320 0.001 0.000 0.251 387 K C -1.622 174.920 176.600 -0.097 0.000 0.943 387 K CA -0.808 55.374 56.287 -0.176 0.000 0.794 387 K CB 2.833 35.249 32.500 -0.139 0.000 1.188 387 K HN 0.304 nan 8.250 nan 0.000 0.428 388 L N 4.629 125.944 121.223 0.153 0.000 2.272 388 L HA 0.511 4.851 4.340 0.001 0.000 0.289 388 L C -1.398 175.570 176.870 0.164 0.000 1.032 388 L CA -0.494 54.529 54.840 0.304 0.000 0.810 388 L CB 0.758 43.052 42.059 0.392 0.000 1.205 388 L HN 0.526 nan 8.230 nan 0.000 0.422 389 I N 4.979 125.638 120.570 0.149 0.000 2.418 389 I HA 0.411 4.581 4.170 0.001 0.000 0.287 389 I C -0.758 175.436 176.117 0.128 0.000 1.008 389 I CA -0.057 61.306 61.300 0.106 0.000 1.104 389 I CB 1.649 39.682 38.000 0.055 0.000 1.264 389 I HN 0.485 nan 8.210 nan 0.000 0.438 390 C N 5.306 124.683 119.300 0.128 0.000 2.379 390 C HA 0.546 5.007 4.460 0.001 0.000 0.323 390 C C -0.522 174.555 174.990 0.145 0.000 1.262 390 C CA -0.817 58.276 59.018 0.124 0.000 1.581 390 C CB 0.898 28.697 27.740 0.098 0.000 2.221 390 C HN 0.690 nan 8.230 nan 0.000 0.497 391 Y N 1.559 121.853 120.300 -0.012 0.000 2.446 391 Y HA 0.775 5.326 4.550 0.001 0.000 0.338 391 Y C 0.190 176.035 175.900 -0.091 0.000 1.055 391 Y CA 0.115 58.194 58.100 -0.035 0.000 1.101 391 Y CB 1.581 40.006 38.460 -0.059 0.000 1.221 391 Y HN 0.821 nan 8.280 nan 0.000 0.460 392 G N 3.183 111.436 108.800 -0.910 0.000 2.695 392 G HA2 0.214 4.174 3.960 0.001 0.000 0.290 392 G HA3 0.214 4.174 3.960 0.001 0.000 0.290 392 G C -0.432 173.929 174.900 -0.899 0.000 1.410 392 G CA -0.588 44.072 45.100 -0.733 0.000 0.844 392 G HN 0.647 nan 8.290 nan 0.000 0.478 393 E N -0.590 119.343 120.200 -0.445 0.000 2.333 393 E HA -0.105 4.245 4.350 0.001 0.000 0.198 393 E C 0.430 176.922 176.600 -0.180 0.000 1.007 393 E CA 1.240 57.497 56.400 -0.237 0.000 0.845 393 E CB -0.252 29.398 29.700 -0.083 0.000 0.766 393 E HN 0.531 nan 8.360 nan 0.000 0.507 394 N N -1.132 117.447 118.700 -0.201 0.000 2.853 394 N HA 0.171 4.912 4.740 0.001 0.000 0.258 394 N C 0.197 175.577 175.510 -0.217 0.000 1.444 394 N CA -0.822 52.134 53.050 -0.156 0.000 0.837 394 N CB 1.096 39.507 38.487 -0.128 0.000 1.489 394 N HN -0.177 nan 8.380 nan 0.000 0.529 395 R N -0.538 119.751 120.500 -0.352 0.000 2.091 395 R HA -0.141 4.199 4.340 0.001 0.000 0.238 395 R C 0.193 176.292 176.300 -0.334 0.000 1.136 395 R CA 1.972 57.695 56.100 -0.628 0.000 0.959 395 R CB -0.414 29.315 30.300 -0.952 0.000 0.856 395 R HN 0.634 nan 8.270 nan 0.000 0.437 396 D N -0.234 120.019 120.400 -0.245 0.000 2.104 396 D HA -0.142 4.498 4.640 0.001 0.000 0.194 396 D C 1.936 178.170 176.300 -0.109 0.000 0.994 396 D CA 1.346 55.252 54.000 -0.157 0.000 0.830 396 D CB -0.232 40.494 40.800 -0.124 0.000 0.959 396 D HN 0.097 nan 8.370 nan 0.000 0.452 397 V N 1.407 121.249 119.914 -0.120 0.000 2.343 397 V HA -0.241 3.879 4.120 0.001 0.000 0.247 397 V C 2.534 178.573 176.094 -0.092 0.000 1.051 397 V CA 1.789 64.028 62.300 -0.101 0.000 1.036 397 V CB -0.863 30.883 31.823 -0.129 0.000 0.654 397 V HN 0.186 nan 8.190 nan 0.000 0.451 398 A N 0.008 122.759 122.820 -0.115 0.000 1.883 398 A HA -0.197 4.123 4.320 0.001 0.000 0.217 398 A C 2.188 179.785 177.584 0.022 0.000 1.186 398 A CA 2.096 54.104 52.037 -0.049 0.000 0.624 398 A CB -0.562 18.436 19.000 -0.003 0.000 0.822 398 A HN 0.516 nan 8.150 nan 0.000 0.444 399 I N -0.369 120.212 120.570 0.018 0.000 2.252 399 I HA -0.251 3.919 4.170 0.001 0.000 0.245 399 I C 2.973 179.129 176.117 0.066 0.000 1.102 399 I CA 0.967 62.321 61.300 0.089 0.000 1.385 399 I CB -0.350 37.703 38.000 0.088 0.000 1.064 399 I HN 0.355 nan 8.210 nan 0.000 0.414 400 A N 0.908 123.741 122.820 0.023 0.000 1.908 400 A HA -0.222 4.098 4.320 0.001 0.000 0.218 400 A C 2.394 179.995 177.584 0.028 0.000 1.181 400 A CA 1.623 53.673 52.037 0.021 0.000 0.627 400 A CB -0.587 18.414 19.000 0.002 0.000 0.818 400 A HN 0.319 nan 8.150 nan 0.000 0.445 401 R N -1.933 118.580 120.500 0.022 0.000 2.092 401 R HA -0.084 4.256 4.340 0.001 0.000 0.231 401 R C 2.173 178.503 176.300 0.050 0.000 1.119 401 R CA 1.566 57.685 56.100 0.032 0.000 0.970 401 R CB -0.330 29.981 30.300 0.018 0.000 0.864 401 R HN 0.564 nan 8.270 nan 0.000 0.440 402 M N 1.310 120.948 119.600 0.063 0.000 2.132 402 M HA -0.129 4.351 4.480 0.001 0.000 0.263 402 M C 1.588 177.925 176.300 0.061 0.000 1.065 402 M CA 1.782 57.128 55.300 0.076 0.000 1.122 402 M CB 0.050 32.709 32.600 0.099 0.000 1.365 402 M HN -0.129 nan 8.290 nan 0.000 0.411 403 K N -0.183 120.252 120.400 0.058 0.000 2.032 403 K HA -0.164 4.157 4.320 0.001 0.000 0.209 403 K C 1.823 178.442 176.600 0.032 0.000 1.048 403 K CA 2.085 58.399 56.287 0.045 0.000 0.927 403 K CB -0.516 32.012 32.500 0.047 0.000 0.712 403 K HN 0.581 nan 8.250 nan 0.000 0.441 404 N N 0.368 119.087 118.700 0.031 0.000 2.120 404 N HA -0.160 4.581 4.740 0.001 0.000 0.188 404 N C 1.916 177.436 175.510 0.016 0.000 1.024 404 N CA 0.844 53.907 53.050 0.023 0.000 0.852 404 N CB -0.130 38.374 38.487 0.027 0.000 1.003 404 N HN 0.187 nan 8.380 nan 0.000 0.424 405 A N 1.406 124.240 122.820 0.024 0.000 1.898 405 A HA -0.062 4.258 4.320 0.001 0.000 0.216 405 A C 2.163 179.743 177.584 -0.007 0.000 1.181 405 A CA 0.952 52.996 52.037 0.011 0.000 0.620 405 A CB -0.703 18.322 19.000 0.042 0.000 0.819 405 A HN 0.161 nan 8.150 nan 0.000 0.442 406 L N -0.633 120.600 121.223 0.017 0.000 2.131 406 L HA -0.222 4.118 4.340 0.001 0.000 0.210 406 L C 2.803 179.670 176.870 -0.005 0.000 1.092 406 L CA 1.071 55.919 54.840 0.014 0.000 0.759 406 L CB -0.411 41.666 42.059 0.031 0.000 0.903 406 L HN 0.390 nan 8.230 nan 0.000 0.435 407 Q N -0.097 119.701 119.800 -0.004 0.000 2.167 407 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 407 Q C 1.993 177.977 176.000 -0.027 0.000 0.970 407 Q CA 1.298 57.095 55.803 -0.011 0.000 0.855 407 Q CB -0.028 28.708 28.738 -0.004 0.000 0.911 407 Q HN 0.604 nan 8.270 nan 0.000 0.438 408 E N 0.148 120.327 120.200 -0.035 0.000 2.216 408 E HA -0.058 4.292 4.350 0.001 0.000 0.192 408 E C 0.243 176.793 176.600 -0.083 0.000 0.988 408 E CA -0.262 56.112 56.400 -0.043 0.000 0.834 408 E CB 0.139 29.819 29.700 -0.033 0.000 0.772 408 E HN 0.035 nan 8.360 nan 0.000 0.479 409 L N 2.015 123.164 121.223 -0.124 0.000 2.534 409 L HA 0.098 4.438 4.340 0.001 0.000 0.271 409 L C -0.603 176.196 176.870 -0.118 0.000 1.178 409 L CA 0.788 55.507 54.840 -0.202 0.000 0.907 409 L CB 0.189 42.140 42.059 -0.180 0.000 1.164 409 L HN -0.068 nan 8.230 nan 0.000 0.482 410 I N 6.983 127.464 120.570 -0.150 0.000 2.389 410 I HA 0.386 4.557 4.170 0.001 0.000 0.288 410 I C -0.633 175.524 176.117 0.066 0.000 0.999 410 I CA -0.302 60.970 61.300 -0.047 0.000 1.129 410 I CB 1.322 39.292 38.000 -0.050 0.000 1.288 410 I HN 0.489 nan 8.210 nan 0.000 0.444 411 I N 5.516 126.162 120.570 0.126 0.000 2.517 411 I HA 0.303 4.473 4.170 0.001 0.000 0.280 411 I C -1.255 174.931 176.117 0.114 0.000 1.061 411 I CA -0.514 60.909 61.300 0.204 0.000 1.091 411 I CB 1.365 39.502 38.000 0.227 0.000 1.205 411 I HN 0.403 nan 8.210 nan 0.000 0.459 412 D N 3.784 124.246 120.400 0.103 0.000 2.228 412 D HA 0.655 5.295 4.640 0.001 0.000 0.247 412 D C 0.976 177.306 176.300 0.050 0.000 0.995 412 D CA 0.266 54.302 54.000 0.061 0.000 0.903 412 D CB 2.225 43.055 40.800 0.049 0.000 1.205 412 D HN 0.763 nan 8.370 nan 0.000 0.459 413 G N 0.218 109.035 108.800 0.028 0.000 2.254 413 G HA2 -0.187 3.774 3.960 0.001 0.000 0.225 413 G HA3 -0.187 3.774 3.960 0.001 0.000 0.225 413 G C 0.271 175.173 174.900 0.004 0.000 1.003 413 G CA 0.343 45.451 45.100 0.014 0.000 0.622 413 G HN 0.621 nan 8.290 nan 0.000 0.507 414 I N -2.912 117.665 120.570 0.013 0.000 3.074 414 I HA 0.814 4.985 4.170 0.001 0.000 0.310 414 I C -0.611 175.513 176.117 0.013 0.000 1.153 414 I CA -1.686 59.618 61.300 0.007 0.000 0.993 414 I CB 1.756 39.761 38.000 0.008 0.000 1.237 414 I HN -0.232 nan 8.210 nan 0.000 0.443 415 K N 2.552 122.954 120.400 0.004 0.000 2.218 415 K HA 0.499 4.819 4.320 0.001 0.000 0.276 415 K C -0.079 176.531 176.600 0.017 0.000 1.022 415 K CA -0.184 56.102 56.287 -0.001 0.000 0.946 415 K CB 1.430 33.916 32.500 -0.024 0.000 1.000 415 K HN 0.950 nan 8.250 nan 0.000 0.468 416 T N -1.935 112.631 114.554 0.020 0.000 2.887 416 T HA 0.272 4.622 4.350 0.001 0.000 0.292 416 T C 0.578 175.294 174.700 0.026 0.000 1.087 416 T CA -0.906 61.222 62.100 0.046 0.000 1.009 416 T CB 0.990 69.906 68.868 0.080 0.000 1.203 416 T HN 0.461 nan 8.240 nan 0.000 0.518 417 N N 0.517 119.252 118.700 0.058 0.000 2.313 417 N HA 0.031 4.772 4.740 0.001 0.000 0.207 417 N C 1.355 176.897 175.510 0.053 0.000 1.141 417 N CA -0.146 52.938 53.050 0.055 0.000 0.830 417 N CB -0.611 37.954 38.487 0.129 0.000 1.008 417 N HN 0.383 nan 8.380 nan 0.000 0.481 418 V N 1.041 120.987 119.914 0.054 0.000 2.282 418 V HA -0.264 3.856 4.120 0.001 0.000 0.249 418 V C 1.681 177.791 176.094 0.026 0.000 1.057 418 V CA 2.137 64.468 62.300 0.051 0.000 1.032 418 V CB -0.442 31.414 31.823 0.054 0.000 0.645 418 V HN 0.266 nan 8.190 nan 0.000 0.447 419 D N -0.366 120.040 120.400 0.009 0.000 2.144 419 D HA -0.144 4.496 4.640 0.001 0.000 0.199 419 D C 1.935 178.234 176.300 -0.001 0.000 0.984 419 D CA 1.083 55.081 54.000 -0.003 0.000 0.834 419 D CB -0.289 40.499 40.800 -0.019 0.000 0.955 419 D HN 0.378 nan 8.370 nan 0.000 0.465 420 L N 0.944 122.169 121.223 0.003 0.000 2.017 420 L HA -0.170 4.170 4.340 0.001 0.000 0.208 420 L C 2.028 178.908 176.870 0.015 0.000 1.073 420 L CA 1.660 56.513 54.840 0.023 0.000 0.745 420 L CB -0.470 41.631 42.059 0.070 0.000 0.894 420 L HN -0.102 nan 8.230 nan 0.000 0.432 421 Q N -0.228 119.581 119.800 0.016 0.000 2.124 421 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 421 Q C 2.376 178.361 176.000 -0.026 0.000 0.977 421 Q CA 2.070 57.866 55.803 -0.012 0.000 0.850 421 Q CB -0.339 28.409 28.738 0.015 0.000 0.901 421 Q HN 0.625 nan 8.270 nan 0.000 0.429 422 I N 0.348 120.917 120.570 -0.001 0.000 2.226 422 I HA -0.297 3.873 4.170 0.001 0.000 0.245 422 I C 2.554 178.673 176.117 0.005 0.000 1.100 422 I CA 1.156 62.459 61.300 0.005 0.000 1.374 422 I CB -0.256 37.751 38.000 0.011 0.000 1.057 422 I HN 0.152 nan 8.210 nan 0.000 0.413 423 R N 0.679 121.181 120.500 0.005 0.000 2.083 423 R HA -0.149 4.191 4.340 0.001 0.000 0.237 423 R C 2.331 178.639 176.300 0.012 0.000 1.137 423 R CA 1.546 57.655 56.100 0.016 0.000 0.951 423 R CB -0.374 29.937 30.300 0.018 0.000 0.851 423 R HN 0.356 nan 8.270 nan 0.000 0.434 424 I N 0.309 120.856 120.570 -0.038 0.000 2.226 424 I HA -0.281 3.889 4.170 0.001 0.000 0.245 424 I C 2.246 178.234 176.117 -0.216 0.000 1.100 424 I CA 0.993 62.217 61.300 -0.127 0.000 1.374 424 I CB -0.205 37.656 38.000 -0.231 0.000 1.057 424 I HN 0.156 nan 8.210 nan 0.000 0.413 425 M N 0.171 119.672 119.600 -0.164 0.000 2.213 425 M HA -0.150 4.331 4.480 0.001 0.000 0.263 425 M C 1.593 177.995 176.300 0.170 0.000 1.062 425 M CA 1.523 56.823 55.300 0.001 0.000 1.105 425 M CB -1.303 31.319 32.600 0.036 0.000 1.385 425 M HN 0.277 nan 8.290 nan 0.000 0.417 426 N N 0.535 119.297 118.700 0.103 0.000 2.412 426 N HA -0.036 4.705 4.740 0.001 0.000 0.184 426 N C 0.216 175.807 175.510 0.135 0.000 1.101 426 N CA 0.178 53.294 53.050 0.110 0.000 0.881 426 N CB 0.073 38.601 38.487 0.068 0.000 0.969 426 N HN 0.412 nan 8.380 nan 0.000 0.459 427 D N 1.497 122.002 120.400 0.176 0.000 2.383 427 D HA -0.019 4.621 4.640 0.001 0.000 0.252 427 D C 0.626 177.053 176.300 0.212 0.000 1.166 427 D CA 0.165 54.288 54.000 0.205 0.000 0.879 427 D CB 1.211 42.167 40.800 0.260 0.000 1.164 427 D HN 0.159 nan 8.370 nan 0.000 0.462 428 E N 2.919 123.207 120.200 0.148 0.000 2.110 428 E HA -0.177 4.173 4.350 0.001 0.000 0.193 428 E C 1.331 177.977 176.600 0.076 0.000 0.988 428 E CA 0.769 57.228 56.400 0.099 0.000 0.804 428 E CB 0.196 29.938 29.700 0.070 0.000 0.745 428 E HN 0.520 nan 8.360 nan 0.000 0.458 429 N N 0.396 119.129 118.700 0.057 0.000 2.216 429 N HA -0.127 4.614 4.740 0.001 0.000 0.183 429 N C 1.683 177.160 175.510 -0.055 0.000 1.017 429 N CA 0.697 53.700 53.050 -0.078 0.000 0.861 429 N CB -0.299 37.998 38.487 -0.317 0.000 0.986 429 N HN 0.153 nan 8.380 nan 0.000 0.428 430 F N 2.320 122.210 119.950 -0.100 0.000 2.134 430 F HA -0.142 4.385 4.527 0.001 0.000 0.299 430 F C 2.370 178.163 175.800 -0.013 0.000 1.097 430 F CA 1.318 59.291 58.000 -0.045 0.000 1.264 430 F CB -0.055 38.958 39.000 0.022 0.000 1.001 430 F HN -0.016 nan 8.300 nan 0.000 0.479 431 Q N -0.814 118.931 119.800 -0.093 0.000 2.124 431 Q HA -0.260 4.080 4.340 0.001 0.000 0.202 431 Q C 2.238 178.123 176.000 -0.192 0.000 0.977 431 Q CA 1.567 57.258 55.803 -0.186 0.000 0.850 431 Q CB -0.597 28.141 28.738 -0.000 0.000 0.901 431 Q HN 0.599 nan 8.270 nan 0.000 0.429 432 H N -0.058 118.905 119.070 -0.179 0.000 2.357 432 H HA -0.017 4.540 4.556 0.001 0.000 0.301 432 H C 0.649 175.859 175.328 -0.197 0.000 1.082 432 H CA 1.577 57.532 56.048 -0.155 0.000 1.342 432 H CB 0.178 29.876 29.762 -0.108 0.000 1.389 432 H HN 0.276 nan 8.280 nan 0.000 0.511 433 G N -1.897 106.797 108.800 -0.177 0.000 2.662 433 G HA2 0.085 4.045 3.960 0.001 0.000 0.686 433 G HA3 0.085 4.045 3.960 0.001 0.000 0.686 433 G C 0.595 175.467 174.900 -0.046 0.000 1.271 433 G CA 0.193 45.162 45.100 -0.219 0.000 0.816 433 G HN 1.049 nan 8.290 nan 0.000 0.608 434 G N -1.150 107.634 108.800 -0.027 0.000 2.160 434 G HA2 0.182 4.143 3.960 0.001 0.000 0.244 434 G HA3 0.182 4.143 3.960 0.001 0.000 0.244 434 G C 0.937 175.860 174.900 0.039 0.000 1.022 434 G CA 1.386 46.508 45.100 0.037 0.000 0.741 434 G HN 2.802 nan 8.290 nan 0.000 0.508 435 T N -0.738 113.815 114.554 -0.001 0.000 2.926 435 T HA 0.462 4.812 4.350 0.001 0.000 0.307 435 T C 0.792 175.525 174.700 0.054 0.000 1.059 435 T CA 0.210 62.280 62.100 -0.050 0.000 1.122 435 T CB 1.292 70.032 68.868 -0.214 0.000 0.972 435 T HN 0.949 nan 8.240 nan 0.000 0.545 436 N N 1.592 120.341 118.700 0.081 0.000 2.405 436 N HA 0.229 4.969 4.740 0.001 0.000 0.269 436 N C 1.253 176.792 175.510 0.048 0.000 1.249 436 N CA -0.883 52.211 53.050 0.073 0.000 0.974 436 N CB 0.064 38.594 38.487 0.072 0.000 1.204 436 N HN 0.807 nan 8.380 nan 0.000 0.565 437 I N -4.123 116.385 120.570 -0.102 0.000 2.916 437 I HA -0.055 4.116 4.170 0.001 0.000 0.267 437 I C 0.503 176.483 176.117 -0.228 0.000 1.263 437 I CA 1.053 62.243 61.300 -0.183 0.000 1.471 437 I CB -0.449 37.402 38.000 -0.247 0.000 1.089 437 I HN 0.417 nan 8.210 nan 0.000 0.468 438 H N -0.946 118.175 119.070 0.084 0.000 2.622 438 H HA 0.069 4.625 4.556 0.001 0.000 0.269 438 H C 1.503 176.873 175.328 0.070 0.000 0.977 438 H CA 0.324 56.404 56.048 0.053 0.000 1.179 438 H CB -0.168 29.627 29.762 0.055 0.000 1.458 438 H HN 0.439 nan 8.280 nan 0.000 0.531 439 Y N 1.717 122.074 120.300 0.094 0.000 2.145 439 Y HA -0.216 4.334 4.550 0.001 0.000 0.286 439 Y C 2.355 178.289 175.900 0.058 0.000 1.145 439 Y CA 1.057 59.205 58.100 0.080 0.000 1.148 439 Y CB -0.358 38.151 38.460 0.080 0.000 0.981 439 Y HN 0.089 nan 8.280 nan 0.000 0.507 440 L N 0.833 122.051 121.223 -0.008 0.000 2.012 440 L HA -0.204 4.137 4.340 0.001 0.000 0.210 440 L C 2.095 178.878 176.870 -0.145 0.000 1.073 440 L CA 2.119 56.901 54.840 -0.097 0.000 0.748 440 L CB -0.824 41.236 42.059 0.003 0.000 0.891 440 L HN 0.319 nan 8.230 nan 0.000 0.431 441 E N -0.576 119.568 120.200 -0.094 0.000 2.204 441 E HA -0.226 4.125 4.350 0.001 0.000 0.194 441 E C 1.931 178.479 176.600 -0.086 0.000 0.989 441 E CA 1.220 57.573 56.400 -0.079 0.000 0.824 441 E CB 0.000 29.664 29.700 -0.060 0.000 0.756 441 E HN 0.660 nan 8.360 nan 0.000 0.477 442 K N 0.898 121.225 120.400 -0.122 0.000 2.262 442 K HA -0.003 4.317 4.320 0.001 0.000 0.200 442 K C 2.017 178.508 176.600 -0.182 0.000 1.049 442 K CA 0.571 56.785 56.287 -0.122 0.000 0.979 442 K CB 0.077 32.528 32.500 -0.081 0.000 0.773 442 K HN -0.141 nan 8.250 nan 0.000 0.474 443 K N 1.036 121.238 120.400 -0.329 0.000 2.057 443 K HA -0.100 4.221 4.320 0.001 0.000 0.207 443 K C 1.763 178.287 176.600 -0.128 0.000 1.049 443 K CA 0.974 57.083 56.287 -0.297 0.000 0.931 443 K CB -0.012 32.215 32.500 -0.456 0.000 0.714 443 K HN 0.080 nan 8.250 nan 0.000 0.440 444 L N 0.500 121.667 121.223 -0.092 0.000 2.291 444 L HA -0.002 4.338 4.340 0.001 0.000 0.214 444 L C 2.248 179.113 176.870 -0.009 0.000 1.120 444 L CA 1.610 56.441 54.840 -0.015 0.000 0.799 444 L CB -0.657 41.423 42.059 0.035 0.000 0.925 444 L HN 0.344 nan 8.230 nan 0.000 0.446 445 G N -1.429 107.350 108.800 -0.034 0.000 2.464 445 G HA2 0.366 4.327 3.960 0.001 0.000 0.217 445 G HA3 0.366 4.327 3.960 0.001 0.000 0.217 445 G C 0.350 175.238 174.900 -0.020 0.000 1.138 445 G CA 1.091 46.177 45.100 -0.022 0.000 0.793 445 G HN 0.361 nan 8.290 nan 0.000 0.539 446 L N 0.000 121.206 121.223 -0.028 0.000 2.949 446 L HA 0.000 4.340 4.340 0.001 0.000 0.249 446 L CA 0.000 nan 54.840 nan 0.000 0.813 446 L CB 0.000 nan 42.059 nan 0.000 0.961 446 L HN 0.000 nan 8.230 nan 0.000 0.502