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 1q36_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESLTLQPIA RVDGTINLPG SKSVSNRALL LAALAHGKTV LTNLLDSDDV DATA SEQUENCE RHMLNALTAL GVSYTLSADR TRCEIIGNGG PLHAEGALEL FLGNAGTAMR DATA SEQUENCE PLAAALCLGS NDIVLTGEPR MKERPIGHLV DALRLGGAKI TYLEQENYPP DATA SEQUENCE LRLQGGFTGG NVDVDGSVSS QFLTALLMTA PLAPEDTVIR IKGDLVSKPY DATA SEQUENCE IDITLNLMKT FGVEIENQHY QQFVVKGGQS YQSPGTYLVE GDASSASYFL DATA SEQUENCE AAAAIKGGTV KVTGIGRNSM QGDIRFADVL EKMGATICWG DDYISCTRGE DATA SEQUENCE LNAIDMDMNH IPAAAMTIAT AALFAKGTTT LRNIYNWRVK ETDRLFAMAT DATA SEQUENCE ELRKVGAEVE EGHDYIRITP PEKLNFAEIA TYNDHRMAMC FSLVALSDTP DATA SEQUENCE VTILDPKCTA KTFPDYFEQL ARISQAA 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 0.000 176.286 176.300 -0.023 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.031 0.000 1.302 2 E N 1.880 122.068 120.200 -0.022 0.000 2.392 2 E HA 0.702 5.052 4.350 -0.001 0.000 0.259 2 E C -0.828 175.750 176.600 -0.036 0.000 1.108 2 E CA 0.323 56.708 56.400 -0.025 0.000 0.916 2 E CB 0.845 30.534 29.700 -0.019 0.000 0.989 2 E HN 0.773 nan 8.360 nan 0.000 0.432 3 S N 2.926 118.598 115.700 -0.046 0.000 2.588 3 S HA 0.563 5.032 4.470 -0.001 0.000 0.269 3 S C -1.283 173.262 174.600 -0.091 0.000 1.157 3 S CA -1.054 57.109 58.200 -0.061 0.000 0.824 3 S CB 1.154 64.332 63.200 -0.037 0.000 1.126 3 S HN 0.484 nan 8.310 nan 0.000 0.464 4 L N 1.057 122.198 121.223 -0.138 0.000 2.408 4 L HA 0.780 5.120 4.340 -0.001 0.000 0.268 4 L C -1.299 175.491 176.870 -0.132 0.000 0.986 4 L CA -0.192 54.531 54.840 -0.194 0.000 0.820 4 L CB 2.267 44.072 42.059 -0.424 0.000 1.303 4 L HN 0.913 nan 8.230 nan 0.000 0.411 5 T N 5.490 120.000 114.554 -0.073 0.000 2.779 5 T HA 0.505 4.854 4.350 -0.001 0.000 0.280 5 T C -0.373 174.325 174.700 -0.003 0.000 0.987 5 T CA -0.314 61.791 62.100 0.007 0.000 0.966 5 T CB 1.132 70.037 68.868 0.062 0.000 0.933 5 T HN 0.383 nan 8.240 nan 0.000 0.442 6 L N 3.769 125.013 121.223 0.034 0.000 2.272 6 L HA 0.394 4.734 4.340 -0.001 0.000 0.289 6 L C 0.713 177.632 176.870 0.082 0.000 1.032 6 L CA -0.780 54.092 54.840 0.053 0.000 0.810 6 L CB 1.235 43.351 42.059 0.096 0.000 1.205 6 L HN 0.522 nan 8.230 nan 0.000 0.422 7 Q N 3.707 123.545 119.800 0.063 0.000 2.382 7 Q HA 0.275 4.614 4.340 -0.001 0.000 0.229 7 Q C -2.194 173.850 176.000 0.074 0.000 1.006 7 Q CA -1.836 54.007 55.803 0.067 0.000 0.916 7 Q CB 0.428 29.192 28.738 0.043 0.000 1.235 7 Q HN 0.342 nan 8.270 nan 0.000 0.512 8 P HA -0.034 nan 4.420 nan 0.000 0.264 8 P C -0.948 176.384 177.300 0.054 0.000 1.183 8 P CA 0.747 63.892 63.100 0.075 0.000 0.763 8 P CB 0.346 32.090 31.700 0.072 0.000 0.807 9 I N 2.216 122.815 120.570 0.049 0.000 2.330 9 I HA 0.254 4.424 4.170 -0.001 0.000 0.289 9 I C 1.243 177.369 176.117 0.015 0.000 1.001 9 I CA -0.360 60.958 61.300 0.030 0.000 1.193 9 I CB 1.637 39.654 38.000 0.029 0.000 1.345 9 I HN 0.361 nan 8.210 nan 0.000 0.461 10 A N 6.548 129.375 122.820 0.012 0.000 1.968 10 A HA 0.060 4.379 4.320 -0.001 0.000 0.217 10 A C 1.146 178.726 177.584 -0.007 0.000 1.169 10 A CA 1.105 53.146 52.037 0.006 0.000 0.638 10 A CB 0.104 19.108 19.000 0.007 0.000 0.812 10 A HN 0.754 nan 8.150 nan 0.000 0.446 11 R N -1.394 119.100 120.500 -0.010 0.000 2.663 11 R HA 0.467 4.807 4.340 -0.001 0.000 0.267 11 R C -1.946 174.345 176.300 -0.016 0.000 1.038 11 R CA -0.203 55.887 56.100 -0.018 0.000 0.886 11 R CB 1.707 31.998 30.300 -0.014 0.000 1.249 11 R HN 0.308 nan 8.270 nan 0.000 0.463 12 V N -0.516 119.387 119.914 -0.018 0.000 2.769 12 V HA 0.834 4.954 4.120 -0.001 0.000 0.312 12 V C -1.017 175.068 176.094 -0.015 0.000 1.061 12 V CA -0.527 61.767 62.300 -0.010 0.000 0.931 12 V CB 1.825 33.654 31.823 0.010 0.000 1.010 12 V HN 0.953 nan 8.190 nan 0.000 0.433 13 D N 0.954 121.341 120.400 -0.022 0.000 2.787 13 D HA 0.672 5.311 4.640 -0.001 0.000 0.215 13 D C -0.279 175.994 176.300 -0.045 0.000 1.246 13 D CA 0.885 54.866 54.000 -0.031 0.000 0.798 13 D CB 1.736 42.518 40.800 -0.030 0.000 1.649 13 D HN 1.438 nan 8.370 nan 0.000 0.507 14 G N 0.747 109.514 108.800 -0.055 0.000 2.350 14 G HA2 0.366 4.325 3.960 -0.001 0.000 0.282 14 G HA3 0.366 4.325 3.960 -0.001 0.000 0.282 14 G C -1.393 173.454 174.900 -0.088 0.000 1.314 14 G CA -0.449 44.607 45.100 -0.073 0.000 0.915 14 G HN 0.513 nan 8.290 nan 0.000 0.499 15 T N 0.917 115.410 114.554 -0.102 0.000 2.848 15 T HA 0.643 4.993 4.350 -0.001 0.000 0.285 15 T C -0.538 174.080 174.700 -0.137 0.000 0.995 15 T CA -0.425 61.611 62.100 -0.107 0.000 0.970 15 T CB 1.390 70.201 68.868 -0.095 0.000 0.976 15 T HN 0.525 nan 8.240 nan 0.000 0.441 16 I N 3.594 124.072 120.570 -0.155 0.000 2.406 16 I HA 0.352 4.522 4.170 -0.001 0.000 0.290 16 I C -0.341 175.718 176.117 -0.098 0.000 0.999 16 I CA -0.953 60.223 61.300 -0.206 0.000 1.124 16 I CB 1.814 39.553 38.000 -0.434 0.000 1.289 16 I HN 0.547 nan 8.210 nan 0.000 0.441 17 N N 7.255 125.914 118.700 -0.069 0.000 2.420 17 N HA 0.357 5.097 4.740 -0.001 0.000 0.249 17 N C -0.221 175.278 175.510 -0.019 0.000 1.033 17 N CA -0.409 52.624 53.050 -0.029 0.000 0.944 17 N CB 1.563 40.035 38.487 -0.024 0.000 1.113 17 N HN 0.444 nan 8.380 nan 0.000 0.502 18 L N 3.602 124.823 121.223 -0.004 0.000 2.461 18 L HA 0.206 4.545 4.340 -0.001 0.000 0.272 18 L C -1.466 175.356 176.870 -0.081 0.000 1.197 18 L CA -1.265 53.565 54.840 -0.016 0.000 0.836 18 L CB -0.019 42.045 42.059 0.008 0.000 1.105 18 L HN 0.266 nan 8.230 nan 0.000 0.477 19 P HA 0.090 nan 4.420 nan 0.000 0.274 19 P C -0.140 177.068 177.300 -0.154 0.000 1.246 19 P CA -0.405 62.564 63.100 -0.219 0.000 0.795 19 P CB 0.489 31.906 31.700 -0.472 0.000 1.006 20 G N 0.584 109.325 108.800 -0.097 0.000 2.554 20 G HA2 0.147 4.107 3.960 -0.001 0.000 0.238 20 G HA3 0.147 4.107 3.960 -0.001 0.000 0.238 20 G C 0.103 174.970 174.900 -0.055 0.000 1.259 20 G CA -0.255 44.811 45.100 -0.056 0.000 0.843 20 G HN 0.547 nan 8.290 nan 0.000 0.582 21 S N 0.346 116.035 115.700 -0.018 0.000 2.498 21 S HA 0.038 4.508 4.470 -0.001 0.000 0.281 21 S C 1.641 176.249 174.600 0.014 0.000 1.265 21 S CA -0.304 57.898 58.200 0.004 0.000 1.071 21 S CB 0.792 64.012 63.200 0.033 0.000 0.894 21 S HN 0.681 nan 8.310 nan 0.000 0.491 22 K N 3.819 124.227 120.400 0.013 0.000 2.057 22 K HA -0.082 4.237 4.320 -0.001 0.000 0.207 22 K C 1.917 178.533 176.600 0.027 0.000 1.049 22 K CA 1.908 58.202 56.287 0.012 0.000 0.931 22 K CB -0.717 31.792 32.500 0.015 0.000 0.714 22 K HN 0.678 nan 8.250 nan 0.000 0.440 23 S N 0.702 116.440 115.700 0.063 0.000 2.356 23 S HA -0.111 4.359 4.470 -0.001 0.000 0.223 23 S C 2.060 176.700 174.600 0.067 0.000 1.032 23 S CA 1.430 59.682 58.200 0.086 0.000 1.005 23 S CB -0.197 63.121 63.200 0.196 0.000 0.867 23 S HN 0.141 nan 8.310 nan 0.000 0.449 24 V N 1.372 121.333 119.914 0.078 0.000 2.379 24 V HA -0.109 4.010 4.120 -0.001 0.000 0.245 24 V C 2.421 178.557 176.094 0.070 0.000 1.044 24 V CA 1.643 64.000 62.300 0.095 0.000 1.036 24 V CB -0.855 31.053 31.823 0.141 0.000 0.664 24 V HN 0.403 nan 8.190 nan 0.000 0.453 25 S N 0.702 116.431 115.700 0.049 0.000 2.359 25 S HA -0.210 4.260 4.470 -0.001 0.000 0.224 25 S C 1.906 176.489 174.600 -0.029 0.000 1.035 25 S CA 1.784 59.997 58.200 0.022 0.000 1.018 25 S CB -0.435 62.765 63.200 0.000 0.000 0.876 25 S HN 0.583 nan 8.310 nan 0.000 0.448 26 N N 0.779 119.456 118.700 -0.039 0.000 2.270 26 N HA 0.066 4.806 4.740 -0.001 0.000 0.181 26 N C 1.750 177.193 175.510 -0.111 0.000 1.016 26 N CA 0.647 53.653 53.050 -0.073 0.000 0.870 26 N CB -0.170 38.281 38.487 -0.059 0.000 0.979 26 N HN 0.332 nan 8.380 nan 0.000 0.431 27 R N 0.376 120.815 120.500 -0.100 0.000 2.075 27 R HA 0.068 4.408 4.340 -0.001 0.000 0.232 27 R C 2.111 178.243 176.300 -0.279 0.000 1.126 27 R CA 1.306 57.306 56.100 -0.166 0.000 0.963 27 R CB -0.255 29.980 30.300 -0.108 0.000 0.858 27 R HN 0.146 nan 8.270 nan 0.000 0.435 28 A N 0.987 123.684 122.820 -0.205 0.000 1.930 28 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 28 A C 2.134 179.530 177.584 -0.314 0.000 1.175 28 A CA 1.074 52.945 52.037 -0.275 0.000 0.627 28 A CB -0.472 18.508 19.000 -0.032 0.000 0.815 28 A HN 0.174 nan 8.150 nan 0.000 0.443 29 L N -1.102 120.001 121.223 -0.201 0.000 2.046 29 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 29 L C 2.551 179.274 176.870 -0.246 0.000 1.077 29 L CA 1.199 55.922 54.840 -0.194 0.000 0.747 29 L CB -0.457 41.501 42.059 -0.169 0.000 0.896 29 L HN 0.477 nan 8.230 nan 0.000 0.432 30 L N -0.294 120.768 121.223 -0.269 0.000 2.056 30 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 30 L C 2.259 178.886 176.870 -0.404 0.000 1.078 30 L CA 1.693 56.371 54.840 -0.270 0.000 0.749 30 L CB -0.431 41.488 42.059 -0.233 0.000 0.901 30 L HN 0.102 nan 8.230 nan 0.000 0.433 31 L N -0.597 120.228 121.223 -0.663 0.000 2.093 31 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 31 L C 2.663 179.020 176.870 -0.854 0.000 1.085 31 L CA 1.094 55.307 54.840 -1.046 0.000 0.755 31 L CB -0.943 40.102 42.059 -1.689 0.000 0.904 31 L HN 0.372 nan 8.230 nan 0.000 0.435 32 A N 0.087 122.496 122.820 -0.686 0.000 1.933 32 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 32 A C 2.513 180.051 177.584 -0.076 0.000 1.175 32 A CA 1.695 53.644 52.037 -0.147 0.000 0.628 32 A CB -0.592 18.411 19.000 0.005 0.000 0.814 32 A HN 0.403 nan 8.150 nan 0.000 0.444 33 A N -0.528 122.211 122.820 -0.135 0.000 1.969 33 A HA 0.076 4.395 4.320 -0.001 0.000 0.218 33 A C 2.078 179.622 177.584 -0.067 0.000 1.169 33 A CA 1.332 53.327 52.037 -0.070 0.000 0.635 33 A CB -0.444 18.510 19.000 -0.077 0.000 0.810 33 A HN 0.461 nan 8.150 nan 0.000 0.445 34 L N -0.758 120.407 121.223 -0.096 0.000 2.270 34 L HA 0.115 4.455 4.340 -0.001 0.000 0.210 34 L C 1.715 178.613 176.870 0.047 0.000 1.104 34 L CA 0.154 54.981 54.840 -0.021 0.000 0.804 34 L CB -0.499 41.578 42.059 0.030 0.000 0.937 34 L HN 0.389 nan 8.230 nan 0.000 0.450 35 A N -0.788 122.077 122.820 0.075 0.000 2.366 35 A HA 0.197 4.517 4.320 -0.001 0.000 0.250 35 A C -0.678 176.957 177.584 0.086 0.000 1.099 35 A CA -0.126 52.038 52.037 0.212 0.000 0.794 35 A CB -0.102 19.093 19.000 0.324 0.000 1.056 35 A HN 0.254 nan 8.150 nan 0.000 0.499 36 H N -0.755 118.399 119.070 0.141 0.000 2.489 36 H HA 0.554 5.110 4.556 -0.001 0.000 0.322 36 H C 0.815 176.200 175.328 0.095 0.000 1.091 36 H CA 1.001 57.108 56.048 0.098 0.000 1.291 36 H CB 1.089 30.899 29.762 0.080 0.000 1.436 36 H HN 1.373 nan 8.280 nan 0.000 0.480 37 G N 1.723 110.621 108.800 0.162 0.000 2.592 37 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.684 37 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.684 37 G C -1.004 173.956 174.900 0.101 0.000 1.291 37 G CA -0.877 44.295 45.100 0.121 0.000 0.891 37 G HN 0.707 nan 8.290 nan 0.000 0.544 38 K N 0.053 120.504 120.400 0.084 0.000 2.211 38 K HA 0.657 4.977 4.320 -0.001 0.000 0.275 38 K C -0.264 176.388 176.600 0.086 0.000 1.024 38 K CA -0.307 56.029 56.287 0.082 0.000 0.887 38 K CB 0.847 33.387 32.500 0.066 0.000 1.084 38 K HN 0.550 nan 8.250 nan 0.000 0.463 39 T N 2.864 117.481 114.554 0.106 0.000 2.824 39 T HA 0.317 4.667 4.350 -0.001 0.000 0.280 39 T C -0.928 173.835 174.700 0.105 0.000 0.995 39 T CA -0.628 61.541 62.100 0.114 0.000 1.009 39 T CB 1.462 70.445 68.868 0.192 0.000 0.955 39 T HN 0.292 nan 8.240 nan 0.000 0.452 40 V N 4.977 124.949 119.914 0.097 0.000 2.357 40 V HA 0.412 4.532 4.120 -0.001 0.000 0.284 40 V C -0.272 175.892 176.094 0.116 0.000 1.018 40 V CA -0.748 61.606 62.300 0.090 0.000 0.841 40 V CB 1.065 32.929 31.823 0.067 0.000 0.991 40 V HN 0.708 nan 8.190 nan 0.000 0.437 41 L N 5.417 126.711 121.223 0.118 0.000 2.289 41 L HA 0.697 5.036 4.340 -0.001 0.000 0.285 41 L C 0.502 177.422 176.870 0.084 0.000 1.049 41 L CA -0.191 54.737 54.840 0.147 0.000 0.804 41 L CB 1.915 44.060 42.059 0.143 0.000 1.195 41 L HN 0.757 nan 8.230 nan 0.000 0.428 42 T N -1.438 113.151 114.554 0.059 0.000 2.924 42 T HA 0.298 4.648 4.350 -0.001 0.000 0.291 42 T C 0.399 175.100 174.700 0.002 0.000 1.045 42 T CA -0.748 61.364 62.100 0.020 0.000 1.015 42 T CB 1.767 70.635 68.868 0.001 0.000 1.103 42 T HN 0.779 nan 8.240 nan 0.000 0.496 43 N N -0.529 118.168 118.700 -0.004 0.000 2.741 43 N HA -0.164 4.576 4.740 -0.001 0.000 0.250 43 N C -0.367 175.139 175.510 -0.005 0.000 1.115 43 N CA 0.007 53.049 53.050 -0.013 0.000 0.724 43 N CB -0.841 37.628 38.487 -0.030 0.000 1.090 43 N HN 0.705 nan 8.380 nan 0.000 0.558 44 L N 1.566 122.794 121.223 0.008 0.000 2.485 44 L HA 0.230 4.570 4.340 -0.001 0.000 0.275 44 L C 0.287 177.149 176.870 -0.012 0.000 1.207 44 L CA 0.122 54.967 54.840 0.007 0.000 0.855 44 L CB 0.506 42.567 42.059 0.003 0.000 1.114 44 L HN 0.212 nan 8.230 nan 0.000 0.485 45 L N 4.171 125.381 121.223 -0.020 0.000 2.380 45 L HA 0.291 4.630 4.340 -0.001 0.000 0.273 45 L C -0.636 176.217 176.870 -0.028 0.000 1.138 45 L CA 0.201 55.020 54.840 -0.034 0.000 0.832 45 L CB 0.706 42.741 42.059 -0.041 0.000 1.124 45 L HN 0.723 nan 8.230 nan 0.000 0.454 46 D N 3.306 123.696 120.400 -0.018 0.000 2.427 46 D HA 0.539 5.179 4.640 -0.001 0.000 0.226 46 D C -0.949 175.350 176.300 -0.001 0.000 1.076 46 D CA 0.125 54.119 54.000 -0.010 0.000 0.849 46 D CB 0.716 41.520 40.800 0.006 0.000 1.052 46 D HN 0.701 nan 8.370 nan 0.000 0.515 47 S N 2.177 117.865 115.700 -0.020 0.000 2.643 47 S HA 0.316 4.786 4.470 -0.001 0.000 0.270 47 S C 0.387 174.950 174.600 -0.062 0.000 1.166 47 S CA -0.797 57.395 58.200 -0.014 0.000 0.815 47 S CB 1.229 64.427 63.200 -0.003 0.000 1.139 47 S HN 0.110 nan 8.310 nan 0.000 0.472 48 D N 1.154 121.514 120.400 -0.067 0.000 2.123 48 D HA -0.096 4.544 4.640 -0.001 0.000 0.196 48 D C 1.040 177.254 176.300 -0.143 0.000 0.992 48 D CA 1.694 55.608 54.000 -0.143 0.000 0.833 48 D CB -0.452 40.325 40.800 -0.038 0.000 0.954 48 D HN 0.614 nan 8.370 nan 0.000 0.455 49 D N 0.017 120.396 120.400 -0.036 0.000 2.144 49 D HA -0.091 4.548 4.640 -0.001 0.000 0.199 49 D C 2.243 178.536 176.300 -0.012 0.000 0.984 49 D CA 0.364 54.374 54.000 0.018 0.000 0.834 49 D CB -0.139 40.646 40.800 -0.025 0.000 0.955 49 D HN 0.100 nan 8.370 nan 0.000 0.465 50 V N 0.551 120.434 119.914 -0.053 0.000 2.488 50 V HA -0.143 3.977 4.120 -0.001 0.000 0.246 50 V C 2.486 178.530 176.094 -0.083 0.000 1.046 50 V CA 1.241 63.503 62.300 -0.063 0.000 1.053 50 V CB -0.383 31.402 31.823 -0.062 0.000 0.679 50 V HN 0.108 nan 8.190 nan 0.000 0.458 51 R N -0.639 119.786 120.500 -0.124 0.000 2.105 51 R HA -0.202 4.138 4.340 -0.001 0.000 0.239 51 R C 2.377 178.601 176.300 -0.127 0.000 1.135 51 R CA 1.747 57.759 56.100 -0.146 0.000 0.967 51 R CB -0.310 29.866 30.300 -0.205 0.000 0.861 51 R HN 0.564 nan 8.270 nan 0.000 0.442 52 H N -0.056 119.025 119.070 0.018 0.000 2.389 52 H HA -0.123 4.433 4.556 -0.001 0.000 0.299 52 H C 1.948 177.280 175.328 0.006 0.000 1.081 52 H CA 1.810 57.877 56.048 0.033 0.000 1.345 52 H CB -0.245 29.525 29.762 0.013 0.000 1.393 52 H HN 0.253 nan 8.280 nan 0.000 0.520 53 M N 0.692 120.338 119.600 0.076 0.000 2.117 53 M HA -0.081 4.398 4.480 -0.001 0.000 0.262 53 M C 2.081 178.371 176.300 -0.015 0.000 1.065 53 M CA 1.306 56.611 55.300 0.007 0.000 1.114 53 M CB -0.625 31.949 32.600 -0.044 0.000 1.361 53 M HN 0.115 nan 8.290 nan 0.000 0.408 54 L N -0.138 121.053 121.223 -0.054 0.000 2.046 54 L HA -0.247 4.092 4.340 -0.001 0.000 0.208 54 L C 2.029 178.969 176.870 0.116 0.000 1.077 54 L CA 1.797 56.584 54.840 -0.089 0.000 0.747 54 L CB -0.927 41.038 42.059 -0.156 0.000 0.896 54 L HN 0.483 nan 8.230 nan 0.000 0.432 55 N N -0.411 118.358 118.700 0.115 0.000 2.188 55 N HA -0.147 4.593 4.740 -0.001 0.000 0.184 55 N C 1.918 177.508 175.510 0.134 0.000 1.018 55 N CA 0.910 54.049 53.050 0.148 0.000 0.858 55 N CB -0.124 38.456 38.487 0.155 0.000 0.989 55 N HN 0.317 nan 8.380 nan 0.000 0.426 56 A N 1.304 124.190 122.820 0.110 0.000 1.898 56 A HA -0.061 4.258 4.320 -0.001 0.000 0.216 56 A C 2.130 179.758 177.584 0.074 0.000 1.181 56 A CA 0.918 53.003 52.037 0.080 0.000 0.620 56 A CB -0.613 18.417 19.000 0.049 0.000 0.819 56 A HN 0.152 nan 8.150 nan 0.000 0.442 57 L N -0.894 120.380 121.223 0.085 0.000 2.046 57 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 57 L C 2.785 179.750 176.870 0.158 0.000 1.077 57 L CA 1.730 56.633 54.840 0.105 0.000 0.747 57 L CB -1.083 41.038 42.059 0.104 0.000 0.896 57 L HN 0.319 nan 8.230 nan 0.000 0.432 58 T N 0.131 114.817 114.554 0.221 0.000 2.684 58 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 58 T C 2.002 176.742 174.700 0.065 0.000 1.036 58 T CA 1.521 63.694 62.100 0.123 0.000 1.148 58 T CB -0.247 68.686 68.868 0.108 0.000 0.863 58 T HN 0.463 nan 8.240 nan 0.000 0.436 59 A N 0.920 123.784 122.820 0.074 0.000 1.972 59 A HA 0.039 4.358 4.320 -0.001 0.000 0.219 59 A C 2.145 179.756 177.584 0.044 0.000 1.169 59 A CA 1.139 53.209 52.037 0.054 0.000 0.635 59 A CB -0.725 18.312 19.000 0.061 0.000 0.810 59 A HN 0.516 nan 8.150 nan 0.000 0.446 60 L N -1.521 119.730 121.223 0.046 0.000 2.552 60 L HA 0.153 4.493 4.340 -0.001 0.000 0.227 60 L C 1.666 178.557 176.870 0.035 0.000 1.146 60 L CA 0.604 55.465 54.840 0.035 0.000 0.858 60 L CB -0.110 41.961 42.059 0.020 0.000 0.969 60 L HN 0.605 nan 8.230 nan 0.000 0.451 61 G N -0.417 108.404 108.800 0.035 0.000 2.159 61 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.227 61 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.227 61 G C 0.149 175.063 174.900 0.024 0.000 0.986 61 G CA -0.138 44.976 45.100 0.024 0.000 0.651 61 G HN 0.055 nan 8.290 nan 0.000 0.523 62 V N 1.143 121.086 119.914 0.048 0.000 2.583 62 V HA 0.613 4.733 4.120 -0.001 0.000 0.287 62 V C 0.998 177.125 176.094 0.055 0.000 1.051 62 V CA 0.478 62.820 62.300 0.070 0.000 1.010 62 V CB 1.651 33.543 31.823 0.115 0.000 0.988 62 V HN 0.454 nan 8.190 nan 0.000 0.478 63 S N 4.360 120.079 115.700 0.032 0.000 2.508 63 S HA 0.759 5.229 4.470 -0.001 0.000 0.284 63 S C -0.974 173.650 174.600 0.040 0.000 1.192 63 S CA -0.450 57.723 58.200 -0.045 0.000 1.070 63 S CB 0.361 63.544 63.200 -0.029 0.000 1.004 63 S HN 0.724 nan 8.310 nan 0.000 0.493 64 Y N 0.092 120.398 120.300 0.010 0.000 2.677 64 Y HA 0.713 5.263 4.550 -0.001 0.000 0.334 64 Y C -0.698 175.211 175.900 0.014 0.000 1.196 64 Y CA -1.098 57.010 58.100 0.014 0.000 1.059 64 Y CB 0.680 39.148 38.460 0.012 0.000 1.315 64 Y HN 0.569 nan 8.280 nan 0.000 0.455 65 T N 0.244 114.950 114.554 0.254 0.000 2.906 65 T HA 0.833 5.182 4.350 -0.001 0.000 0.295 65 T C -1.355 173.484 174.700 0.233 0.000 1.061 65 T CA -0.804 61.396 62.100 0.168 0.000 1.000 65 T CB 1.849 70.763 68.868 0.077 0.000 1.103 65 T HN 0.848 nan 8.240 nan 0.000 0.486 66 L N 2.123 123.452 121.223 0.177 0.000 2.354 66 L HA 0.641 4.980 4.340 -0.001 0.000 0.269 66 L C 0.783 177.700 176.870 0.078 0.000 1.005 66 L CA -1.093 53.825 54.840 0.130 0.000 0.819 66 L CB 2.519 44.661 42.059 0.140 0.000 1.311 66 L HN 1.045 nan 8.230 nan 0.000 0.423 67 S N 0.943 116.678 115.700 0.058 0.000 2.634 67 S HA 0.338 4.807 4.470 -0.001 0.000 0.261 67 S C 1.197 175.819 174.600 0.037 0.000 1.271 67 S CA -0.003 58.222 58.200 0.042 0.000 0.985 67 S CB 1.319 64.539 63.200 0.034 0.000 0.968 67 S HN 0.723 nan 8.310 nan 0.000 0.568 68 A N 1.040 123.878 122.820 0.030 0.000 1.940 68 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 68 A C 1.668 179.267 177.584 0.026 0.000 1.176 68 A CA 1.915 53.968 52.037 0.026 0.000 0.631 68 A CB -1.201 17.812 19.000 0.021 0.000 0.814 68 A HN 0.979 nan 8.150 nan 0.000 0.446 69 D N -2.180 118.235 120.400 0.025 0.000 2.328 69 D HA 0.043 4.683 4.640 -0.001 0.000 0.221 69 D C 0.686 177.000 176.300 0.023 0.000 1.072 69 D CA 0.011 54.026 54.000 0.024 0.000 0.850 69 D CB -0.507 40.305 40.800 0.021 0.000 0.922 69 D HN 0.461 nan 8.370 nan 0.000 0.516 70 R N -1.269 119.247 120.500 0.027 0.000 3.875 70 R HA -0.169 4.171 4.340 -0.001 0.000 0.321 70 R C 0.680 176.988 176.300 0.013 0.000 1.196 70 R CA 1.338 57.452 56.100 0.024 0.000 0.868 70 R CB -3.034 27.279 30.300 0.021 0.000 1.333 70 R HN 0.515 nan 8.270 nan 0.000 0.522 71 T N -3.216 111.347 114.554 0.014 0.000 3.040 71 T HA 0.142 4.492 4.350 -0.001 0.000 0.250 71 T C 0.628 175.336 174.700 0.014 0.000 1.058 71 T CA -0.185 61.920 62.100 0.008 0.000 0.988 71 T CB 0.384 69.255 68.868 0.004 0.000 0.993 71 T HN 0.296 nan 8.240 nan 0.000 0.519 72 R N 0.050 120.563 120.500 0.023 0.000 2.437 72 R HA 0.654 4.993 4.340 -0.001 0.000 0.310 72 R C -1.778 174.547 176.300 0.041 0.000 0.955 72 R CA -0.705 55.414 56.100 0.032 0.000 0.851 72 R CB 1.465 31.785 30.300 0.032 0.000 1.161 72 R HN 0.311 nan 8.270 nan 0.000 0.446 73 C N 3.953 123.280 119.300 0.045 0.000 2.431 73 C HA 0.454 4.914 4.460 -0.001 0.000 0.321 73 C C -0.951 174.085 174.990 0.076 0.000 1.202 73 C CA -0.476 58.574 59.018 0.053 0.000 1.398 73 C CB 1.478 29.210 27.740 -0.013 0.000 2.047 73 C HN 0.886 nan 8.230 nan 0.000 0.465 74 E N 4.974 125.239 120.200 0.108 0.000 2.073 74 E HA 0.440 4.789 4.350 -0.001 0.000 0.269 74 E C -1.000 175.685 176.600 0.141 0.000 0.917 74 E CA -0.224 56.239 56.400 0.105 0.000 0.757 74 E CB 1.297 31.051 29.700 0.089 0.000 1.111 74 E HN 0.582 nan 8.360 nan 0.000 0.410 75 I N 3.553 124.197 120.570 0.124 0.000 2.377 75 I HA 0.186 4.356 4.170 -0.001 0.000 0.293 75 I C -0.125 176.059 176.117 0.112 0.000 0.987 75 I CA -0.616 60.769 61.300 0.142 0.000 1.185 75 I CB 1.105 39.160 38.000 0.092 0.000 1.341 75 I HN 0.370 nan 8.210 nan 0.000 0.455 76 I N 5.470 126.104 120.570 0.107 0.000 2.291 76 I HA 0.253 4.423 4.170 -0.001 0.000 0.292 76 I C 1.036 177.187 176.117 0.058 0.000 1.064 76 I CA -0.077 61.266 61.300 0.072 0.000 1.269 76 I CB 0.238 38.270 38.000 0.054 0.000 1.418 76 I HN 0.668 nan 8.210 nan 0.000 0.485 77 G N 4.357 113.188 108.800 0.052 0.000 2.491 77 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.238 77 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.238 77 G C 0.766 175.650 174.900 -0.027 0.000 1.277 77 G CA -0.193 44.919 45.100 0.021 0.000 0.851 77 G HN 0.715 nan 8.290 nan 0.000 0.573 78 N N 0.338 119.005 118.700 -0.054 0.000 2.446 78 N HA 0.069 4.809 4.740 -0.001 0.000 0.179 78 N C 1.774 177.178 175.510 -0.176 0.000 1.054 78 N CA 1.336 54.343 53.050 -0.071 0.000 0.905 78 N CB -0.055 38.404 38.487 -0.045 0.000 0.973 78 N HN 1.059 nan 8.380 nan 0.000 0.448 79 G N -1.053 107.532 108.800 -0.359 0.000 2.295 79 G HA2 0.066 4.025 3.960 -0.001 0.000 0.287 79 G HA3 0.066 4.025 3.960 -0.001 0.000 0.287 79 G C 0.335 174.939 174.900 -0.493 0.000 1.055 79 G CA 0.613 45.109 45.100 -1.007 0.000 0.922 79 G HN 0.867 nan 8.290 nan 0.000 0.503 80 G N -1.710 106.980 108.800 -0.184 0.000 2.369 80 G HA2 0.489 4.449 3.960 -0.001 0.000 0.307 80 G HA3 0.489 4.449 3.960 -0.001 0.000 0.307 80 G C -2.984 171.910 174.900 -0.010 0.000 1.327 80 G CA -0.147 44.949 45.100 -0.006 0.000 0.963 80 G HN 0.485 nan 8.290 nan 0.000 0.590 81 P HA 0.258 nan 4.420 nan 0.000 0.264 81 P C 0.230 177.354 177.300 -0.293 0.000 1.179 81 P CA 0.070 63.090 63.100 -0.134 0.000 0.763 81 P CB 0.341 31.974 31.700 -0.112 0.000 0.806 82 L N 4.056 125.078 121.223 -0.336 0.000 2.395 82 L HA 0.350 4.689 4.340 -0.001 0.000 0.269 82 L C 0.752 177.318 176.870 -0.506 0.000 1.133 82 L CA -0.188 54.486 54.840 -0.276 0.000 0.812 82 L CB 0.330 42.301 42.059 -0.146 0.000 1.125 82 L HN 0.475 nan 8.230 nan 0.000 0.452 83 H N 1.241 120.316 119.070 0.007 0.000 2.930 83 H HA 0.801 5.356 4.556 -0.001 0.000 0.371 83 H C -0.990 174.343 175.328 0.009 0.000 1.169 83 H CA -0.711 55.342 56.048 0.008 0.000 1.157 83 H CB 2.258 32.026 29.762 0.010 0.000 1.789 83 H HN 0.709 nan 8.280 nan 0.000 0.547 84 A N 1.937 124.847 122.820 0.150 0.000 2.608 84 A HA 0.594 4.913 4.320 -0.001 0.000 0.292 84 A C -1.079 176.547 177.584 0.071 0.000 1.066 84 A CA -0.717 51.372 52.037 0.086 0.000 0.676 84 A CB 2.083 21.116 19.000 0.055 0.000 1.277 84 A HN 0.605 nan 8.150 nan 0.000 0.413 85 E N -0.734 119.494 120.200 0.047 0.000 2.449 85 E HA 0.708 5.058 4.350 -0.001 0.000 0.254 85 E C 0.600 177.216 176.600 0.027 0.000 0.907 85 E CA -0.015 56.406 56.400 0.034 0.000 0.840 85 E CB 0.840 30.554 29.700 0.023 0.000 1.459 85 E HN 2.107 nan 8.360 nan 0.000 0.407 86 G N 0.113 108.925 108.800 0.021 0.000 2.198 86 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.260 86 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.260 86 G C 0.633 175.545 174.900 0.020 0.000 1.025 86 G CA 0.548 45.658 45.100 0.018 0.000 0.769 86 G HN 1.511 nan 8.290 nan 0.000 0.507 87 A N -2.485 120.347 122.820 0.021 0.000 2.745 87 A HA -0.045 4.274 4.320 -0.001 0.000 0.296 87 A C 0.987 178.586 177.584 0.025 0.000 1.500 87 A CA 1.550 53.599 52.037 0.021 0.000 0.766 87 A CB -1.572 17.439 19.000 0.018 0.000 1.030 87 A HN 2.276 nan 8.150 nan 0.000 0.489 88 L N 0.320 121.559 121.223 0.028 0.000 2.578 88 L HA 0.282 4.622 4.340 -0.001 0.000 0.279 88 L C 0.654 177.546 176.870 0.036 0.000 1.227 88 L CA 1.295 56.154 54.840 0.032 0.000 0.900 88 L CB 0.371 42.450 42.059 0.034 0.000 1.144 88 L HN 0.499 nan 8.230 nan 0.000 0.496 89 E N 5.462 125.689 120.200 0.046 0.000 2.174 89 E HA 0.365 4.714 4.350 -0.001 0.000 0.282 89 E C -1.406 175.241 176.600 0.078 0.000 0.992 89 E CA -0.622 55.814 56.400 0.059 0.000 0.803 89 E CB 0.722 30.465 29.700 0.073 0.000 1.090 89 E HN 0.684 nan 8.360 nan 0.000 0.396 90 L N 5.615 126.879 121.223 0.068 0.000 2.287 90 L HA 0.390 4.729 4.340 -0.001 0.000 0.287 90 L C -0.477 176.447 176.870 0.091 0.000 1.022 90 L CA -0.894 53.994 54.840 0.079 0.000 0.814 90 L CB 0.841 42.921 42.059 0.035 0.000 1.217 90 L HN 0.573 nan 8.230 nan 0.000 0.420 91 F N 4.740 124.684 119.950 -0.010 0.000 2.391 91 F HA 0.371 4.897 4.527 -0.000 0.000 0.359 91 F C 0.361 176.087 175.800 -0.124 0.000 1.122 91 F CA -0.361 57.607 58.000 -0.053 0.000 1.120 91 F CB 0.721 39.702 39.000 -0.032 0.000 1.142 91 F HN 0.346 nan 8.300 nan 0.000 0.483 92 L N 6.758 127.562 121.223 -0.699 0.000 2.872 92 L HA 0.322 4.662 4.340 -0.001 0.000 0.245 92 L C 1.381 177.731 176.870 -0.866 0.000 1.211 92 L CA 0.158 54.667 54.840 -0.552 0.000 1.013 92 L CB -0.720 41.166 42.059 -0.288 0.000 1.326 92 L HN 1.013 nan 8.230 nan 0.000 0.525 93 G N 1.877 109.831 108.800 -1.410 0.000 2.651 93 G HA2 -0.432 3.527 3.960 -0.001 0.000 0.315 93 G HA3 -0.432 3.527 3.960 -0.001 0.000 0.315 93 G C 0.474 175.097 174.900 -0.462 0.000 1.258 93 G CA 0.753 45.298 45.100 -0.926 0.000 1.002 93 G HN 0.453 nan 8.290 nan 0.000 0.551 94 N N 1.304 119.879 118.700 -0.209 0.000 2.497 94 N HA 0.544 5.283 4.740 -0.001 0.000 0.284 94 N C 0.258 175.710 175.510 -0.097 0.000 1.459 94 N CA 0.866 53.837 53.050 -0.132 0.000 0.899 94 N CB 0.145 38.594 38.487 -0.063 0.000 1.316 94 N HN 1.032 nan 8.380 nan 0.000 0.500 95 A N -0.342 122.414 122.820 -0.107 0.000 2.415 95 A HA 0.532 4.851 4.320 -0.001 0.000 0.309 95 A C 1.501 179.041 177.584 -0.073 0.000 1.356 95 A CA -0.139 51.860 52.037 -0.063 0.000 0.998 95 A CB -0.236 18.759 19.000 -0.008 0.000 1.145 95 A HN 0.335 nan 8.150 nan 0.000 0.545 96 G N 1.629 110.386 108.800 -0.071 0.000 2.432 96 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.219 96 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.219 96 G C 1.412 176.268 174.900 -0.072 0.000 1.135 96 G CA 1.600 46.658 45.100 -0.070 0.000 0.767 96 G HN 0.873 nan 8.290 nan 0.000 0.550 97 T N -1.962 112.547 114.554 -0.074 0.000 3.118 97 T HA 0.481 4.831 4.350 -0.001 0.000 0.260 97 T C 2.073 176.736 174.700 -0.062 0.000 1.139 97 T CA 1.264 63.322 62.100 -0.070 0.000 1.085 97 T CB 0.272 69.103 68.868 -0.062 0.000 0.934 97 T HN 0.297 nan 8.240 nan 0.000 0.518 98 A N 1.065 123.851 122.820 -0.056 0.000 1.944 98 A HA 0.456 4.776 4.320 -0.001 0.000 0.207 98 A C 2.104 179.653 177.584 -0.058 0.000 1.265 98 A CA 0.726 52.731 52.037 -0.053 0.000 0.712 98 A CB -0.539 18.440 19.000 -0.035 0.000 0.915 98 A HN 0.392 nan 8.150 nan 0.000 0.470 99 M N 0.053 119.615 119.600 -0.063 0.000 2.065 99 M HA -0.106 4.374 4.480 -0.001 0.000 0.259 99 M C 1.936 178.221 176.300 -0.024 0.000 1.069 99 M CA 1.809 57.077 55.300 -0.054 0.000 1.110 99 M CB -0.413 32.154 32.600 -0.055 0.000 1.328 99 M HN 0.264 nan 8.290 nan 0.000 0.405 100 R N -0.311 120.187 120.500 -0.003 0.000 2.066 100 R HA 0.025 4.364 4.340 -0.001 0.000 0.232 100 R C -0.564 175.733 176.300 -0.005 0.000 1.131 100 R CA 1.740 57.865 56.100 0.042 0.000 0.955 100 R CB -2.270 28.083 30.300 0.089 0.000 0.851 100 R HN 0.329 nan 8.270 nan 0.000 0.432 101 P HA -0.090 nan 4.420 nan 0.000 0.216 101 P C 0.906 178.159 177.300 -0.079 0.000 1.153 101 P CA 1.136 64.196 63.100 -0.067 0.000 0.848 101 P CB 0.069 31.718 31.700 -0.084 0.000 0.787 102 L N -1.215 119.965 121.223 -0.071 0.000 2.141 102 L HA -0.108 4.231 4.340 -0.001 0.000 0.209 102 L C 2.439 179.266 176.870 -0.072 0.000 1.094 102 L CA 1.213 56.009 54.840 -0.073 0.000 0.763 102 L CB -1.084 40.939 42.059 -0.061 0.000 0.908 102 L HN -0.054 nan 8.230 nan 0.000 0.437 103 A N 0.164 122.946 122.820 -0.063 0.000 1.940 103 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 103 A C 2.489 180.018 177.584 -0.092 0.000 1.176 103 A CA 1.946 53.943 52.037 -0.067 0.000 0.631 103 A CB -0.559 18.410 19.000 -0.053 0.000 0.814 103 A HN 0.414 nan 8.150 nan 0.000 0.446 104 A N -0.498 122.256 122.820 -0.110 0.000 1.878 104 A HA 0.346 4.666 4.320 -0.001 0.000 0.213 104 A C 2.505 179.977 177.584 -0.186 0.000 1.192 104 A CA 1.610 53.538 52.037 -0.182 0.000 0.619 104 A CB -1.045 17.833 19.000 -0.203 0.000 0.837 104 A HN 1.023 nan 8.150 nan 0.000 0.446 105 A N -0.089 122.647 122.820 -0.140 0.000 1.933 105 A HA -0.031 4.289 4.320 -0.001 0.000 0.218 105 A C 1.927 179.448 177.584 -0.105 0.000 1.175 105 A CA 1.419 53.384 52.037 -0.120 0.000 0.628 105 A CB -0.632 18.306 19.000 -0.104 0.000 0.814 105 A HN 0.459 nan 8.150 nan 0.000 0.444 106 L N -0.687 120.480 121.223 -0.094 0.000 2.610 106 L HA -0.081 4.259 4.340 -0.001 0.000 0.232 106 L C 1.455 178.302 176.870 -0.038 0.000 1.149 106 L CA -0.127 54.666 54.840 -0.078 0.000 0.872 106 L CB -0.397 41.625 42.059 -0.061 0.000 0.992 106 L HN 0.438 nan 8.230 nan 0.000 0.447 107 C N -0.159 119.119 119.300 -0.037 0.000 2.562 107 C HA 0.145 4.605 4.460 -0.001 0.000 0.266 107 C C 1.356 176.406 174.990 0.101 0.000 1.382 107 C CA -0.645 58.389 59.018 0.028 0.000 1.742 107 C CB -0.982 26.773 27.740 0.026 0.000 1.812 107 C HN 0.247 nan 8.230 nan 0.000 0.559 108 L N 1.544 122.806 121.223 0.066 0.000 2.360 108 L HA 0.477 4.817 4.340 -0.001 0.000 0.276 108 L C 1.177 178.154 176.870 0.178 0.000 1.121 108 L CA 1.063 55.977 54.840 0.124 0.000 0.845 108 L CB -0.191 41.908 42.059 0.066 0.000 1.143 108 L HN 0.564 nan 8.230 nan 0.000 0.452 109 G N 3.203 112.117 108.800 0.191 0.000 2.553 109 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.242 109 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.242 109 G C -0.395 174.602 174.900 0.161 0.000 1.277 109 G CA -0.355 44.871 45.100 0.210 0.000 0.910 109 G HN 0.592 nan 8.290 nan 0.000 0.576 110 S N 0.914 116.687 115.700 0.122 0.000 2.593 110 S HA 0.841 5.311 4.470 -0.001 0.000 0.297 110 S C 0.058 174.743 174.600 0.141 0.000 1.112 110 S CA -0.613 57.632 58.200 0.074 0.000 1.043 110 S CB 1.679 64.880 63.200 0.002 0.000 1.054 110 S HN 0.842 nan 8.310 nan 0.000 0.516 111 N N 0.597 119.360 118.700 0.105 0.000 3.185 111 N HA 0.351 5.090 4.740 -0.001 0.000 0.238 111 N C -2.391 173.154 175.510 0.058 0.000 1.451 111 N CA -0.449 52.670 53.050 0.115 0.000 0.888 111 N CB 1.943 40.505 38.487 0.126 0.000 1.413 111 N HN 0.618 nan 8.380 nan 0.000 0.511 112 D N 1.282 121.711 120.400 0.048 0.000 2.337 112 D HA 0.480 5.120 4.640 -0.001 0.000 0.238 112 D C -1.314 175.002 176.300 0.026 0.000 1.331 112 D CA -0.000 54.017 54.000 0.028 0.000 0.967 112 D CB 0.014 40.827 40.800 0.022 0.000 1.382 112 D HN 0.457 nan 8.370 nan 0.000 0.549 113 I N 1.650 122.231 120.570 0.019 0.000 2.686 113 I HA 0.446 4.616 4.170 -0.001 0.000 0.295 113 I C -0.489 175.631 176.117 0.006 0.000 1.114 113 I CA -1.149 60.160 61.300 0.015 0.000 1.038 113 I CB 2.672 40.680 38.000 0.013 0.000 1.238 113 I HN -0.037 nan 8.210 nan 0.000 0.420 114 V N 6.170 126.091 119.914 0.012 0.000 2.459 114 V HA 0.469 4.589 4.120 -0.001 0.000 0.295 114 V C -0.237 175.861 176.094 0.007 0.000 1.029 114 V CA -0.566 61.739 62.300 0.009 0.000 0.874 114 V CB 1.855 33.691 31.823 0.022 0.000 0.985 114 V HN 0.417 nan 8.190 nan 0.000 0.438 115 L N 4.403 125.621 121.223 -0.009 0.000 2.296 115 L HA 0.725 5.065 4.340 -0.001 0.000 0.286 115 L C 0.123 176.972 176.870 -0.036 0.000 1.023 115 L CA 0.090 54.914 54.840 -0.028 0.000 0.812 115 L CB 1.826 43.861 42.059 -0.041 0.000 1.223 115 L HN 0.740 nan 8.230 nan 0.000 0.421 116 T N 1.251 115.761 114.554 -0.074 0.000 2.654 116 T HA 0.902 5.252 4.350 -0.001 0.000 0.289 116 T C -0.496 173.991 174.700 -0.355 0.000 1.062 116 T CA 0.102 62.136 62.100 -0.110 0.000 1.041 116 T CB 2.170 71.039 68.868 0.002 0.000 1.417 116 T HN 0.839 nan 8.240 nan 0.000 0.510 117 G N -0.059 108.476 108.800 -0.443 0.000 2.428 117 G HA2 0.471 4.430 3.960 -0.001 0.000 0.305 117 G HA3 0.471 4.430 3.960 -0.001 0.000 0.305 117 G C -1.477 173.130 174.900 -0.487 0.000 1.260 117 G CA -0.688 43.841 45.100 -0.951 0.000 0.853 117 G HN 0.758 nan 8.290 nan 0.000 0.480 118 E N 0.672 120.657 120.200 -0.358 0.000 2.425 118 E HA 0.169 4.519 4.350 -0.001 0.000 0.258 118 E C -1.463 175.132 176.600 -0.009 0.000 1.151 118 E CA -1.164 55.238 56.400 0.003 0.000 0.958 118 E CB 1.099 30.814 29.700 0.026 0.000 0.968 118 E HN 0.076 nan 8.360 nan 0.000 0.451 119 P HA -0.231 nan 4.420 nan 0.000 0.216 119 P C 1.191 178.484 177.300 -0.012 0.000 1.154 119 P CA 1.404 64.511 63.100 0.011 0.000 0.865 119 P CB 0.164 31.874 31.700 0.017 0.000 0.789 120 R N -0.623 119.873 120.500 -0.007 0.000 2.120 120 R HA -0.101 4.239 4.340 -0.001 0.000 0.234 120 R C 2.039 178.330 176.300 -0.014 0.000 1.123 120 R CA 1.478 57.572 56.100 -0.010 0.000 0.975 120 R CB -1.513 28.790 30.300 0.006 0.000 0.866 120 R HN 0.077 nan 8.270 nan 0.000 0.446 121 M N 0.611 120.191 119.600 -0.034 0.000 2.296 121 M HA -0.038 4.441 4.480 -0.001 0.000 0.265 121 M C 1.030 177.338 176.300 0.014 0.000 1.064 121 M CA 1.733 57.013 55.300 -0.033 0.000 1.109 121 M CB 0.008 32.541 32.600 -0.111 0.000 1.396 121 M HN 0.038 nan 8.290 nan 0.000 0.430 122 K N -0.130 120.268 120.400 -0.002 0.000 2.555 122 K HA -0.047 4.272 4.320 -0.001 0.000 0.193 122 K C 0.708 177.289 176.600 -0.033 0.000 1.032 122 K CA 0.805 57.104 56.287 0.020 0.000 1.004 122 K CB -0.039 32.455 32.500 -0.009 0.000 0.804 122 K HN 0.544 nan 8.250 nan 0.000 0.496 123 E N 0.363 120.537 120.200 -0.043 0.000 2.538 123 E HA 0.085 4.435 4.350 -0.001 0.000 0.207 123 E C -0.315 176.346 176.600 0.103 0.000 1.002 123 E CA -0.144 56.158 56.400 -0.164 0.000 0.952 123 E CB 0.697 30.313 29.700 -0.140 0.000 1.031 123 E HN 0.084 nan 8.360 nan 0.000 0.476 124 R N 2.669 123.316 120.500 0.245 0.000 2.294 124 R HA 0.252 4.591 4.340 -0.001 0.000 0.319 124 R C -2.444 174.043 176.300 0.312 0.000 0.984 124 R CA -2.052 54.190 56.100 0.238 0.000 0.861 124 R CB 0.921 31.287 30.300 0.109 0.000 1.104 124 R HN -0.035 nan 8.270 nan 0.000 0.451 125 P HA -0.021 nan 4.420 nan 0.000 0.269 125 P C -0.167 177.101 177.300 -0.052 0.000 1.209 125 P CA 0.379 63.367 63.100 -0.187 0.000 0.776 125 P CB 1.069 32.687 31.700 -0.138 0.000 0.876 126 I N 0.753 121.137 120.570 -0.311 0.000 4.481 126 I HA 0.180 4.349 4.170 -0.001 0.000 0.353 126 I C 1.756 177.593 176.117 -0.467 0.000 1.296 126 I CA 0.081 61.195 61.300 -0.310 0.000 1.228 126 I CB 0.156 38.121 38.000 -0.058 0.000 1.725 126 I HN 0.399 nan 8.210 nan 0.000 0.608 127 G N 0.182 108.707 108.800 -0.459 0.000 2.442 127 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.219 127 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.219 127 G C 1.188 175.949 174.900 -0.233 0.000 1.141 127 G CA 1.356 46.300 45.100 -0.259 0.000 0.763 127 G HN 0.551 nan 8.290 nan 0.000 0.554 128 H N -0.863 117.894 119.070 -0.521 0.000 2.387 128 H HA -0.031 4.524 4.556 -0.000 0.000 0.299 128 H C 2.412 177.464 175.328 -0.460 0.000 1.090 128 H CA 0.783 56.571 56.048 -0.434 0.000 1.332 128 H CB 0.114 29.674 29.762 -0.336 0.000 1.386 128 H HN 0.322 nan 8.280 nan 0.000 0.516 129 L N 0.490 121.316 121.223 -0.660 0.000 2.072 129 L HA -0.088 4.251 4.340 -0.001 0.000 0.205 129 L C 2.171 178.938 176.870 -0.170 0.000 1.079 129 L CA 1.047 55.681 54.840 -0.343 0.000 0.752 129 L CB -0.441 41.419 42.059 -0.331 0.000 0.906 129 L HN 0.019 nan 8.230 nan 0.000 0.436 130 V N 0.228 120.040 119.914 -0.171 0.000 2.343 130 V HA -0.291 3.829 4.120 -0.001 0.000 0.247 130 V C 2.307 178.376 176.094 -0.042 0.000 1.051 130 V CA 1.964 64.202 62.300 -0.103 0.000 1.036 130 V CB -0.814 30.951 31.823 -0.098 0.000 0.654 130 V HN 0.459 nan 8.190 nan 0.000 0.451 131 D N 0.444 120.834 120.400 -0.017 0.000 2.104 131 D HA -0.154 4.486 4.640 -0.001 0.000 0.194 131 D C 2.237 178.552 176.300 0.026 0.000 0.994 131 D CA 1.777 55.787 54.000 0.017 0.000 0.830 131 D CB -0.393 40.423 40.800 0.027 0.000 0.959 131 D HN 0.450 nan 8.370 nan 0.000 0.452 132 A N 0.666 123.499 122.820 0.021 0.000 1.877 132 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 132 A C 2.445 180.107 177.584 0.129 0.000 1.186 132 A CA 0.965 53.041 52.037 0.066 0.000 0.620 132 A CB -0.849 18.185 19.000 0.056 0.000 0.822 132 A HN 0.205 nan 8.150 nan 0.000 0.443 133 L N -1.136 120.141 121.223 0.090 0.000 2.042 133 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 133 L C 2.870 179.875 176.870 0.225 0.000 1.076 133 L CA 1.584 56.532 54.840 0.180 0.000 0.749 133 L CB -0.453 41.620 42.059 0.024 0.000 0.893 133 L HN 0.350 nan 8.230 nan 0.000 0.432 134 R N -0.113 120.444 120.500 0.095 0.000 2.081 134 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 134 R C 2.288 178.620 176.300 0.053 0.000 1.131 134 R CA 1.149 57.284 56.100 0.058 0.000 0.960 134 R CB -0.367 29.946 30.300 0.021 0.000 0.856 134 R HN 0.311 nan 8.270 nan 0.000 0.436 135 L N -0.600 120.660 121.223 0.063 0.000 2.191 135 L HA -0.102 4.237 4.340 -0.001 0.000 0.212 135 L C 2.144 179.013 176.870 -0.001 0.000 1.103 135 L CA 1.206 56.067 54.840 0.035 0.000 0.769 135 L CB -0.381 41.706 42.059 0.047 0.000 0.908 135 L HN 0.360 nan 8.230 nan 0.000 0.438 136 G N -1.733 107.080 108.800 0.022 0.000 2.985 136 G HA2 0.303 4.263 3.960 -0.001 0.000 0.209 136 G HA3 0.303 4.263 3.960 -0.001 0.000 0.209 136 G C 1.152 175.842 174.900 -0.350 0.000 1.165 136 G CA 0.515 45.446 45.100 -0.282 0.000 0.776 136 G HN 0.496 nan 8.290 nan 0.000 0.541 137 G N -1.386 107.357 108.800 -0.094 0.000 2.201 137 G HA2 0.146 4.105 3.960 -0.001 0.000 0.212 137 G HA3 0.146 4.105 3.960 -0.001 0.000 0.212 137 G C 0.573 175.485 174.900 0.021 0.000 0.994 137 G CA 0.080 45.142 45.100 -0.063 0.000 0.644 137 G HN 1.230 nan 8.290 nan 0.000 0.508 138 A N -0.020 122.865 122.820 0.109 0.000 2.407 138 A HA 0.652 4.972 4.320 -0.001 0.000 0.248 138 A C 0.409 178.015 177.584 0.037 0.000 1.082 138 A CA 0.907 53.009 52.037 0.108 0.000 0.785 138 A CB 0.637 19.729 19.000 0.153 0.000 1.020 138 A HN 0.835 nan 8.150 nan 0.000 0.489 139 K N 1.946 122.357 120.400 0.018 0.000 2.263 139 K HA 0.631 4.951 4.320 -0.001 0.000 0.272 139 K C -1.360 175.215 176.600 -0.041 0.000 1.033 139 K CA 0.116 56.396 56.287 -0.012 0.000 0.884 139 K CB 0.027 32.524 32.500 -0.004 0.000 1.107 139 K HN 0.515 nan 8.250 nan 0.000 0.460 140 I N 3.254 123.771 120.570 -0.087 0.000 2.569 140 I HA 0.307 4.477 4.170 -0.001 0.000 0.290 140 I C -0.685 175.296 176.117 -0.227 0.000 1.088 140 I CA -0.759 60.443 61.300 -0.162 0.000 1.047 140 I CB 2.718 40.584 38.000 -0.223 0.000 1.237 140 I HN 0.508 nan 8.210 nan 0.000 0.421 141 T N 4.385 118.811 114.554 -0.213 0.000 2.807 141 T HA 0.463 4.813 4.350 -0.001 0.000 0.279 141 T C -0.874 173.706 174.700 -0.201 0.000 0.993 141 T CA -0.451 61.544 62.100 -0.176 0.000 0.970 141 T CB 0.689 69.522 68.868 -0.058 0.000 0.950 141 T HN 0.119 nan 8.240 nan 0.000 0.441 142 Y N 2.789 123.092 120.300 0.004 0.000 2.393 142 Y HA 0.262 4.811 4.550 -0.001 0.000 0.338 142 Y C 1.262 177.173 175.900 0.018 0.000 1.029 142 Y CA -0.811 57.296 58.100 0.012 0.000 1.239 142 Y CB 0.373 38.844 38.460 0.017 0.000 1.170 142 Y HN 0.564 nan 8.280 nan 0.000 0.515 143 L N 1.634 122.957 121.223 0.166 0.000 2.446 143 L HA 0.082 4.421 4.340 -0.001 0.000 0.219 143 L C 0.995 177.923 176.870 0.098 0.000 1.116 143 L CA 0.821 55.723 54.840 0.103 0.000 0.844 143 L CB 0.147 42.246 42.059 0.068 0.000 0.970 143 L HN 0.707 nan 8.230 nan 0.000 0.457 144 E N -1.067 119.204 120.200 0.119 0.000 4.072 144 E HA 0.118 4.468 4.350 -0.001 0.000 0.247 144 E C -0.256 176.385 176.600 0.068 0.000 1.033 144 E CA -0.635 55.811 56.400 0.076 0.000 1.019 144 E CB 0.389 30.123 29.700 0.056 0.000 2.662 144 E HN 0.009 nan 8.360 nan 0.000 0.514 145 Q N 1.878 121.707 119.800 0.049 0.000 2.304 145 Q HA 0.052 4.392 4.340 -0.001 0.000 0.260 145 Q C -0.743 175.240 176.000 -0.029 0.000 0.965 145 Q CA -0.089 55.728 55.803 0.022 0.000 0.898 145 Q CB 0.954 29.680 28.738 -0.020 0.000 1.196 145 Q HN 0.129 nan 8.270 nan 0.000 0.402 146 E N 3.447 123.548 120.200 -0.164 0.000 2.452 146 E HA -0.141 4.209 4.350 -0.001 0.000 0.261 146 E C -0.431 175.765 176.600 -0.672 0.000 0.987 146 E CA 0.920 56.971 56.400 -0.581 0.000 0.926 146 E CB 0.234 29.757 29.700 -0.294 0.000 0.934 146 E HN 0.773 nan 8.360 nan 0.000 0.452 147 N N 1.414 119.203 118.700 -1.518 0.000 2.979 147 N HA -0.227 4.513 4.740 -0.001 0.000 0.234 147 N C -1.301 173.665 175.510 -0.907 0.000 0.938 147 N CA 1.134 53.603 53.050 -0.969 0.000 0.961 147 N CB -1.646 36.415 38.487 -0.711 0.000 1.089 147 N HN 0.411 nan 8.380 nan 0.000 0.576 148 Y N -0.688 119.464 120.300 -0.247 0.000 2.581 148 Y HA 0.559 5.109 4.550 -0.000 0.000 0.345 148 Y C -2.233 173.738 175.900 0.118 0.000 1.036 148 Y CA -1.958 56.132 58.100 -0.017 0.000 1.042 148 Y CB 1.512 39.939 38.460 -0.055 0.000 1.289 148 Y HN -0.258 nan 8.280 nan 0.000 0.471 149 P HA 0.114 nan 4.420 nan 0.000 0.272 149 P C -2.611 174.777 177.300 0.146 0.000 1.240 149 P CA -1.091 62.099 63.100 0.151 0.000 0.791 149 P CB 0.029 31.769 31.700 0.066 0.000 0.978 150 P HA 0.232 nan 4.420 nan 0.000 0.276 150 P C -0.942 176.409 177.300 0.084 0.000 1.244 150 P CA 0.234 63.376 63.100 0.070 0.000 0.801 150 P CB 0.730 32.460 31.700 0.049 0.000 1.006 151 L N 1.405 122.644 121.223 0.026 0.000 2.362 151 L HA 0.577 4.917 4.340 -0.001 0.000 0.271 151 L C 0.638 177.488 176.870 -0.035 0.000 1.002 151 L CA -0.908 53.914 54.840 -0.030 0.000 0.818 151 L CB 2.474 44.488 42.059 -0.075 0.000 1.298 151 L HN 0.332 nan 8.230 nan 0.000 0.420 152 R N 2.893 123.361 120.500 -0.053 0.000 2.343 152 R HA 0.624 4.964 4.340 -0.001 0.000 0.320 152 R C -1.490 174.778 176.300 -0.054 0.000 0.956 152 R CA -0.536 55.544 56.100 -0.034 0.000 0.836 152 R CB 0.913 31.202 30.300 -0.019 0.000 1.151 152 R HN 0.573 nan 8.270 nan 0.000 0.450 153 L N 4.846 126.047 121.223 -0.036 0.000 2.272 153 L HA 0.358 4.698 4.340 -0.001 0.000 0.289 153 L C 0.545 177.410 176.870 -0.008 0.000 1.032 153 L CA -0.308 54.512 54.840 -0.033 0.000 0.810 153 L CB 1.888 43.930 42.059 -0.030 0.000 1.205 153 L HN 0.676 nan 8.230 nan 0.000 0.422 154 Q N 2.388 122.186 119.800 -0.004 0.000 2.159 154 Q HA 0.321 4.661 4.340 -0.001 0.000 0.217 154 Q C 0.668 176.686 176.000 0.031 0.000 0.818 154 Q CA 0.053 55.864 55.803 0.013 0.000 1.008 154 Q CB 1.416 30.157 28.738 0.004 0.000 1.148 154 Q HN 0.968 nan 8.270 nan 0.000 0.491 155 G N -0.159 108.666 108.800 0.041 0.000 2.725 155 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.220 155 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.220 155 G C 0.455 175.400 174.900 0.074 0.000 1.357 155 G CA -0.334 44.808 45.100 0.070 0.000 0.866 155 G HN 0.673 nan 8.290 nan 0.000 0.548 156 G N -1.975 106.880 108.800 0.092 0.000 2.179 156 G HA2 0.102 4.062 3.960 -0.001 0.000 0.220 156 G HA3 0.102 4.062 3.960 -0.001 0.000 0.220 156 G C 0.487 175.439 174.900 0.086 0.000 0.990 156 G CA 0.554 45.696 45.100 0.070 0.000 0.646 156 G HN 2.046 nan 8.290 nan 0.000 0.517 157 F N 3.364 123.318 119.950 0.006 0.000 2.494 157 F HA 0.472 4.999 4.527 -0.000 0.000 0.369 157 F C 1.660 177.466 175.800 0.010 0.000 1.098 157 F CA 1.147 59.149 58.000 0.004 0.000 1.154 157 F CB 1.075 40.076 39.000 0.001 0.000 1.103 157 F HN 0.132 nan 8.300 nan 0.000 0.549 158 T N 1.857 116.131 114.554 -0.467 0.000 2.990 158 T HA 0.596 4.945 4.350 -0.001 0.000 0.250 158 T C 0.878 175.325 174.700 -0.421 0.000 1.041 158 T CA 0.219 62.142 62.100 -0.296 0.000 1.010 158 T CB -0.137 68.623 68.868 -0.179 0.000 1.003 158 T HN 1.165 nan 8.240 nan 0.000 0.499 159 G N -0.178 108.080 108.800 -0.904 0.000 2.342 159 G HA2 0.440 4.399 3.960 -0.001 0.000 0.220 159 G HA3 0.440 4.399 3.960 -0.001 0.000 0.220 159 G C 0.105 174.792 174.900 -0.355 0.000 1.243 159 G CA -0.200 44.566 45.100 -0.556 0.000 1.083 159 G HN 1.770 nan 8.290 nan 0.000 0.500 160 G N -0.911 107.801 108.800 -0.147 0.000 2.428 160 G HA2 0.201 4.160 3.960 -0.001 0.000 0.202 160 G HA3 0.201 4.160 3.960 -0.001 0.000 0.202 160 G C -0.548 174.336 174.900 -0.026 0.000 1.247 160 G CA 0.290 45.338 45.100 -0.086 0.000 1.020 160 G HN 1.594 nan 8.290 nan 0.000 0.529 161 N N 0.282 118.974 118.700 -0.014 0.000 2.408 161 N HA 0.477 5.216 4.740 -0.001 0.000 0.257 161 N C -0.523 175.008 175.510 0.035 0.000 1.064 161 N CA 0.023 53.085 53.050 0.020 0.000 0.952 161 N CB 1.745 40.240 38.487 0.014 0.000 1.093 161 N HN 0.542 nan 8.380 nan 0.000 0.490 162 V N 2.522 122.480 119.914 0.073 0.000 2.531 162 V HA 0.249 4.369 4.120 -0.001 0.000 0.301 162 V C -0.375 175.775 176.094 0.093 0.000 1.034 162 V CA -0.895 61.463 62.300 0.097 0.000 0.865 162 V CB 2.212 34.136 31.823 0.168 0.000 0.995 162 V HN 0.483 nan 8.190 nan 0.000 0.424 163 D N 2.432 122.876 120.400 0.073 0.000 2.181 163 D HA 0.652 5.292 4.640 -0.001 0.000 0.248 163 D C -0.778 175.560 176.300 0.064 0.000 1.020 163 D CA -0.092 53.948 54.000 0.066 0.000 0.891 163 D CB 2.646 43.471 40.800 0.041 0.000 1.187 163 D HN 0.337 nan 8.370 nan 0.000 0.443 164 V N 1.316 121.272 119.914 0.069 0.000 2.808 164 V HA 0.177 4.297 4.120 -0.001 0.000 0.308 164 V C -1.344 174.776 176.094 0.043 0.000 1.099 164 V CA -0.818 61.519 62.300 0.061 0.000 0.920 164 V CB 2.358 34.240 31.823 0.099 0.000 1.014 164 V HN 0.432 nan 8.190 nan 0.000 0.425 165 D N 3.804 124.182 120.400 -0.037 0.000 2.348 165 D HA 0.380 5.020 4.640 -0.001 0.000 0.253 165 D C 0.740 177.097 176.300 0.095 0.000 1.161 165 D CA 0.774 54.702 54.000 -0.121 0.000 0.876 165 D CB 1.947 42.342 40.800 -0.675 0.000 1.160 165 D HN 0.792 nan 8.370 nan 0.000 0.459 166 G N 1.399 110.266 108.800 0.111 0.000 3.324 166 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.251 166 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.251 166 G C 1.210 176.203 174.900 0.155 0.000 1.072 166 G CA 0.270 45.468 45.100 0.163 0.000 0.787 166 G HN 0.470 nan 8.290 nan 0.000 0.537 167 S N -0.521 115.273 115.700 0.156 0.000 2.489 167 S HA 0.045 4.515 4.470 -0.001 0.000 0.228 167 S C 1.825 176.557 174.600 0.220 0.000 0.995 167 S CA 0.961 59.256 58.200 0.158 0.000 0.934 167 S CB 0.246 63.514 63.200 0.113 0.000 0.771 167 S HN 0.023 nan 8.310 nan 0.000 0.522 168 V N -0.133 119.966 119.914 0.309 0.000 3.048 168 V HA 0.383 4.503 4.120 -0.001 0.000 0.241 168 V C 0.846 176.987 176.094 0.080 0.000 1.129 168 V CA 0.778 63.251 62.300 0.288 0.000 1.128 168 V CB 0.673 32.731 31.823 0.392 0.000 0.849 168 V HN 0.532 nan 8.190 nan 0.000 0.475 169 S N -0.859 114.782 115.700 -0.099 0.000 2.536 169 S HA 0.319 4.788 4.470 -0.001 0.000 0.271 169 S C 0.779 175.152 174.600 -0.378 0.000 1.134 169 S CA 0.172 58.113 58.200 -0.433 0.000 0.897 169 S CB 2.040 64.595 63.200 -1.075 0.000 1.094 169 S HN 0.368 nan 8.310 nan 0.000 0.473 170 S N 3.178 118.734 115.700 -0.239 0.000 2.522 170 S HA -0.004 4.466 4.470 -0.001 0.000 0.227 170 S C 1.265 175.756 174.600 -0.182 0.000 0.986 170 S CA 0.320 58.453 58.200 -0.112 0.000 0.929 170 S CB -0.329 62.875 63.200 0.008 0.000 0.769 170 S HN 0.768 nan 8.310 nan 0.000 0.529 171 Q N -0.088 119.488 119.800 -0.373 0.000 2.291 171 Q HA -0.010 4.330 4.340 -0.001 0.000 0.205 171 Q C 1.208 177.153 176.000 -0.092 0.000 0.970 171 Q CA 1.146 56.786 55.803 -0.271 0.000 0.876 171 Q CB -0.332 28.215 28.738 -0.318 0.000 0.935 171 Q HN 0.642 nan 8.270 nan 0.000 0.455 172 F N 0.374 120.315 119.950 -0.015 0.000 2.084 172 F HA -0.171 4.356 4.527 -0.001 0.000 0.296 172 F C 2.092 177.868 175.800 -0.040 0.000 1.111 172 F CA 0.494 58.486 58.000 -0.014 0.000 1.224 172 F CB -1.128 37.895 39.000 0.039 0.000 0.991 172 F HN 0.078 nan 8.300 nan 0.000 0.471 173 L N 0.015 121.321 121.223 0.139 0.000 2.046 173 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 173 L C 2.263 179.086 176.870 -0.080 0.000 1.077 173 L CA 2.097 56.932 54.840 -0.007 0.000 0.747 173 L CB -1.415 40.617 42.059 -0.046 0.000 0.896 173 L HN 0.147 nan 8.230 nan 0.000 0.432 174 T N -0.109 114.412 114.554 -0.055 0.000 2.665 174 T HA -0.230 4.119 4.350 -0.001 0.000 0.268 174 T C 1.875 176.538 174.700 -0.062 0.000 1.035 174 T CA 1.604 63.666 62.100 -0.062 0.000 1.151 174 T CB -0.515 68.329 68.868 -0.040 0.000 0.862 174 T HN 0.583 nan 8.240 nan 0.000 0.438 175 A N 0.786 123.584 122.820 -0.036 0.000 1.902 175 A HA 0.023 4.343 4.320 -0.001 0.000 0.217 175 A C 2.293 179.819 177.584 -0.097 0.000 1.181 175 A CA 1.199 53.203 52.037 -0.055 0.000 0.623 175 A CB -0.751 18.239 19.000 -0.017 0.000 0.818 175 A HN 0.494 nan 8.150 nan 0.000 0.443 176 L N -0.713 120.455 121.223 -0.091 0.000 2.056 176 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 176 L C 2.549 179.356 176.870 -0.105 0.000 1.078 176 L CA 0.943 55.701 54.840 -0.136 0.000 0.749 176 L CB -0.513 41.501 42.059 -0.076 0.000 0.901 176 L HN 0.366 nan 8.230 nan 0.000 0.433 177 L N -0.923 120.239 121.223 -0.102 0.000 2.042 177 L HA -0.254 4.086 4.340 -0.001 0.000 0.210 177 L C 2.612 179.481 176.870 -0.002 0.000 1.076 177 L CA 1.485 56.278 54.840 -0.078 0.000 0.749 177 L CB -0.359 41.615 42.059 -0.142 0.000 0.893 177 L HN 0.322 nan 8.230 nan 0.000 0.432 178 M N -1.516 118.075 119.600 -0.015 0.000 2.254 178 M HA -0.125 4.355 4.480 -0.001 0.000 0.265 178 M C 2.119 178.478 176.300 0.098 0.000 1.066 178 M CA 1.494 56.820 55.300 0.043 0.000 1.123 178 M CB -0.434 32.125 32.600 -0.068 0.000 1.388 178 M HN 0.181 nan 8.290 nan 0.000 0.425 179 T N 0.625 115.167 114.554 -0.020 0.000 2.894 179 T HA 0.069 4.418 4.350 -0.001 0.000 0.258 179 T C 1.997 176.691 174.700 -0.010 0.000 1.043 179 T CA 1.244 63.308 62.100 -0.060 0.000 1.141 179 T CB -0.209 68.508 68.868 -0.251 0.000 0.873 179 T HN 0.444 nan 8.240 nan 0.000 0.449 180 A N 2.261 125.083 122.820 0.004 0.000 1.948 180 A HA -0.041 4.278 4.320 -0.001 0.000 0.220 180 A C 0.028 177.679 177.584 0.112 0.000 1.177 180 A CA 1.329 53.452 52.037 0.144 0.000 0.636 180 A CB -1.598 17.502 19.000 0.166 0.000 0.815 180 A HN 0.371 nan 8.150 nan 0.000 0.449 181 P HA -0.105 nan 4.420 nan 0.000 0.219 181 P C 0.854 178.119 177.300 -0.059 0.000 1.146 181 P CA 0.743 63.816 63.100 -0.045 0.000 0.808 181 P CB 0.019 31.613 31.700 -0.177 0.000 0.779 182 L N -2.064 119.149 121.223 -0.016 0.000 2.592 182 L HA 0.227 4.566 4.340 -0.001 0.000 0.227 182 L C 1.111 178.025 176.870 0.074 0.000 1.127 182 L CA -0.442 54.405 54.840 0.011 0.000 0.884 182 L CB -1.429 40.652 42.059 0.036 0.000 1.065 182 L HN -0.191 nan 8.230 nan 0.000 0.457 183 A N 0.566 123.460 122.820 0.123 0.000 2.371 183 A HA 0.437 4.756 4.320 -0.001 0.000 0.257 183 A C -1.199 176.428 177.584 0.072 0.000 1.089 183 A CA -0.851 51.281 52.037 0.159 0.000 0.794 183 A CB -0.013 19.159 19.000 0.287 0.000 1.029 183 A HN 0.087 nan 8.150 nan 0.000 0.488 184 P HA -0.071 nan 4.420 nan 0.000 0.218 184 P C 0.084 177.384 177.300 -0.001 0.000 1.149 184 P CA 1.190 64.300 63.100 0.017 0.000 0.817 184 P CB 0.243 31.948 31.700 0.010 0.000 0.785 185 E N 0.430 120.619 120.200 -0.019 0.000 2.232 185 E HA 0.237 4.586 4.350 -0.001 0.000 0.264 185 E C -0.170 176.423 176.600 -0.011 0.000 0.973 185 E CA -0.807 55.576 56.400 -0.027 0.000 0.849 185 E CB 0.496 30.160 29.700 -0.059 0.000 1.198 185 E HN 0.012 nan 8.360 nan 0.000 0.407 186 D N 0.731 121.128 120.400 -0.005 0.000 2.382 186 D HA 0.234 4.874 4.640 -0.001 0.000 0.240 186 D C -0.384 175.927 176.300 0.018 0.000 1.146 186 D CA 0.438 54.447 54.000 0.013 0.000 0.897 186 D CB 0.659 41.465 40.800 0.011 0.000 1.197 186 D HN 0.113 nan 8.370 nan 0.000 0.432 187 T N 0.289 114.876 114.554 0.054 0.000 2.886 187 T HA 0.449 4.799 4.350 -0.001 0.000 0.292 187 T C -0.500 174.254 174.700 0.090 0.000 1.012 187 T CA -0.667 61.479 62.100 0.077 0.000 0.982 187 T CB 1.661 70.626 68.868 0.163 0.000 1.018 187 T HN -0.017 nan 8.240 nan 0.000 0.451 188 V N 4.198 124.163 119.914 0.084 0.000 2.378 188 V HA 0.468 4.588 4.120 -0.001 0.000 0.288 188 V C -0.324 175.844 176.094 0.122 0.000 1.016 188 V CA -0.749 61.608 62.300 0.095 0.000 0.840 188 V CB 1.163 33.023 31.823 0.061 0.000 0.994 188 V HN 0.791 nan 8.190 nan 0.000 0.431 189 I N 5.628 126.301 120.570 0.173 0.000 2.304 189 I HA 0.474 4.643 4.170 -0.001 0.000 0.291 189 I C 0.367 176.616 176.117 0.220 0.000 1.018 189 I CA -0.269 61.146 61.300 0.192 0.000 1.260 189 I CB 0.840 38.959 38.000 0.199 0.000 1.390 189 I HN 0.433 nan 8.210 nan 0.000 0.475 190 R N 7.033 127.628 120.500 0.158 0.000 2.338 190 R HA 0.439 4.778 4.340 -0.001 0.000 0.317 190 R C -0.761 175.628 176.300 0.148 0.000 0.968 190 R CA -0.837 55.348 56.100 0.142 0.000 0.849 190 R CB 1.204 31.558 30.300 0.089 0.000 1.128 190 R HN 0.458 nan 8.270 nan 0.000 0.448 191 I N 5.409 126.086 120.570 0.178 0.000 2.416 191 I HA 0.042 4.212 4.170 -0.001 0.000 0.288 191 I C 1.538 177.717 176.117 0.102 0.000 1.051 191 I CA 0.129 61.528 61.300 0.165 0.000 1.375 191 I CB 1.164 39.297 38.000 0.222 0.000 1.407 191 I HN 0.573 nan 8.210 nan 0.000 0.516 192 K N 3.799 124.240 120.400 0.068 0.000 2.026 192 K HA -0.052 4.268 4.320 -0.001 0.000 0.208 192 K C 1.293 177.916 176.600 0.038 0.000 1.048 192 K CA 1.450 57.759 56.287 0.036 0.000 0.929 192 K CB 0.155 32.653 32.500 -0.004 0.000 0.713 192 K HN 0.905 nan 8.250 nan 0.000 0.439 193 G N -0.054 108.773 108.800 0.045 0.000 3.481 193 G HA2 0.053 4.012 3.960 -0.001 0.000 0.180 193 G HA3 0.053 4.012 3.960 -0.001 0.000 0.180 193 G C -1.096 173.842 174.900 0.063 0.000 1.345 193 G CA -0.474 44.653 45.100 0.045 0.000 1.104 193 G HN -0.010 nan 8.290 nan 0.000 0.749 194 D N 0.297 120.732 120.400 0.058 0.000 2.360 194 D HA 0.488 5.127 4.640 -0.001 0.000 0.242 194 D C -0.623 175.732 176.300 0.092 0.000 1.184 194 D CA 0.163 54.205 54.000 0.069 0.000 0.930 194 D CB 2.072 42.908 40.800 0.060 0.000 1.161 194 D HN 0.206 nan 8.370 nan 0.000 0.447 195 L N 1.763 123.043 121.223 0.095 0.000 2.406 195 L HA 0.302 4.641 4.340 -0.001 0.000 0.270 195 L C -0.669 176.256 176.870 0.091 0.000 0.982 195 L CA -0.781 54.126 54.840 0.112 0.000 0.843 195 L CB 1.340 43.487 42.059 0.148 0.000 1.225 195 L HN 0.205 nan 8.230 nan 0.000 0.412 196 V N 1.693 121.665 119.914 0.097 0.000 2.997 196 V HA 0.640 4.760 4.120 -0.001 0.000 0.311 196 V C 0.873 177.031 176.094 0.105 0.000 1.066 196 V CA -0.009 62.349 62.300 0.097 0.000 1.039 196 V CB 1.139 33.024 31.823 0.105 0.000 1.081 196 V HN 0.924 nan 8.190 nan 0.000 0.467 197 S N 0.384 116.166 115.700 0.137 0.000 3.581 197 S HA -0.205 4.265 4.470 -0.001 0.000 0.354 197 S C 1.177 175.913 174.600 0.226 0.000 1.059 197 S CA 1.290 59.624 58.200 0.224 0.000 1.060 197 S CB -1.458 61.864 63.200 0.203 0.000 0.908 197 S HN 0.994 nan 8.310 nan 0.000 0.475 198 K N 0.323 120.791 120.400 0.114 0.000 2.127 198 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 198 K C -0.931 175.699 176.600 0.050 0.000 1.047 198 K CA 1.729 58.041 56.287 0.042 0.000 0.927 198 K CB -0.914 31.516 32.500 -0.116 0.000 0.716 198 K HN 0.407 nan 8.250 nan 0.000 0.450 199 P HA -0.154 nan 4.420 nan 0.000 0.221 199 P C 0.695 177.944 177.300 -0.085 0.000 1.145 199 P CA 1.167 64.229 63.100 -0.063 0.000 0.795 199 P CB -0.066 31.542 31.700 -0.152 0.000 0.775 200 Y N -1.299 119.029 120.300 0.047 0.000 2.439 200 Y HA -0.099 4.450 4.550 -0.001 0.000 0.292 200 Y C 2.190 178.119 175.900 0.048 0.000 1.130 200 Y CA 0.399 58.521 58.100 0.035 0.000 1.254 200 Y CB -0.648 37.816 38.460 0.006 0.000 1.000 200 Y HN -0.080 nan 8.280 nan 0.000 0.554 201 I N -0.066 120.630 120.570 0.211 0.000 2.353 201 I HA -0.235 3.934 4.170 -0.001 0.000 0.248 201 I C 1.554 177.788 176.117 0.195 0.000 1.119 201 I CA 1.275 62.689 61.300 0.189 0.000 1.417 201 I CB -1.001 37.163 38.000 0.275 0.000 1.078 201 I HN 0.249 nan 8.210 nan 0.000 0.421 202 D N 0.870 121.390 120.400 0.200 0.000 2.178 202 D HA -0.095 4.545 4.640 -0.001 0.000 0.202 202 D C 2.368 178.736 176.300 0.112 0.000 0.974 202 D CA 0.962 55.065 54.000 0.171 0.000 0.841 202 D CB 0.033 40.920 40.800 0.145 0.000 0.953 202 D HN 0.327 nan 8.370 nan 0.000 0.478 203 I N 0.923 121.545 120.570 0.088 0.000 2.226 203 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 203 I C 2.274 178.445 176.117 0.089 0.000 1.100 203 I CA 1.027 62.377 61.300 0.082 0.000 1.374 203 I CB -0.396 37.655 38.000 0.085 0.000 1.057 203 I HN -0.034 nan 8.210 nan 0.000 0.413 204 T N 1.501 116.107 114.554 0.086 0.000 2.684 204 T HA -0.150 4.200 4.350 -0.001 0.000 0.267 204 T C 1.947 176.682 174.700 0.058 0.000 1.036 204 T CA 1.343 63.474 62.100 0.050 0.000 1.148 204 T CB -0.339 68.547 68.868 0.029 0.000 0.863 204 T HN 0.247 nan 8.240 nan 0.000 0.436 205 L N 1.333 122.606 121.223 0.083 0.000 2.093 205 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 205 L C 2.770 179.699 176.870 0.100 0.000 1.085 205 L CA 0.878 55.776 54.840 0.095 0.000 0.755 205 L CB -0.615 41.512 42.059 0.114 0.000 0.904 205 L HN 0.289 nan 8.230 nan 0.000 0.435 206 N N 0.739 119.499 118.700 0.100 0.000 2.084 206 N HA -0.187 4.553 4.740 -0.001 0.000 0.190 206 N C 1.867 177.447 175.510 0.117 0.000 1.030 206 N CA 1.420 54.533 53.050 0.105 0.000 0.849 206 N CB 0.001 38.551 38.487 0.105 0.000 1.012 206 N HN 0.174 nan 8.380 nan 0.000 0.423 207 L N 0.941 122.227 121.223 0.106 0.000 2.046 207 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 207 L C 2.493 179.456 176.870 0.156 0.000 1.077 207 L CA 1.066 55.969 54.840 0.105 0.000 0.747 207 L CB -0.974 41.098 42.059 0.022 0.000 0.896 207 L HN 0.293 nan 8.230 nan 0.000 0.432 208 M N -0.598 119.069 119.600 0.113 0.000 2.108 208 M HA -0.272 4.208 4.480 -0.001 0.000 0.261 208 M C 2.248 178.697 176.300 0.249 0.000 1.066 208 M CA 1.724 57.141 55.300 0.196 0.000 1.107 208 M CB -0.372 32.348 32.600 0.201 0.000 1.356 208 M HN 0.118 nan 8.290 nan 0.000 0.406 209 K N -0.204 120.295 120.400 0.165 0.000 2.057 209 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 209 K C 1.743 178.407 176.600 0.106 0.000 1.049 209 K CA 1.655 58.020 56.287 0.129 0.000 0.931 209 K CB -0.060 32.495 32.500 0.092 0.000 0.714 209 K HN 0.214 nan 8.250 nan 0.000 0.440 210 T N 0.395 115.004 114.554 0.090 0.000 2.803 210 T HA -0.125 4.225 4.350 -0.001 0.000 0.269 210 T C 0.911 175.503 174.700 -0.179 0.000 1.052 210 T CA 1.251 63.330 62.100 -0.036 0.000 1.136 210 T CB -0.193 68.615 68.868 -0.100 0.000 0.864 210 T HN 0.187 nan 8.240 nan 0.000 0.467 211 F N 0.518 120.470 119.950 0.002 0.000 2.664 211 F HA 0.392 4.918 4.527 -0.001 0.000 0.301 211 F C 1.714 177.636 175.800 0.203 0.000 1.126 211 F CA -0.096 57.943 58.000 0.065 0.000 1.373 211 F CB 0.007 38.978 39.000 -0.047 0.000 1.042 211 F HN 0.260 nan 8.300 nan 0.000 0.535 212 G N 0.127 109.056 108.800 0.214 0.000 2.157 212 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.239 212 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.239 212 G C -0.346 174.629 174.900 0.125 0.000 0.982 212 G CA -0.036 45.153 45.100 0.148 0.000 0.650 212 G HN 0.153 nan 8.290 nan 0.000 0.527 213 V N 0.457 120.477 119.914 0.178 0.000 2.638 213 V HA 0.667 4.787 4.120 -0.001 0.000 0.306 213 V C -0.140 176.018 176.094 0.107 0.000 1.052 213 V CA -0.821 61.539 62.300 0.099 0.000 0.885 213 V CB 1.922 33.778 31.823 0.055 0.000 0.999 213 V HN 0.354 nan 8.190 nan 0.000 0.424 214 E N 3.499 123.737 120.200 0.063 0.000 2.277 214 E HA 0.767 5.116 4.350 -0.001 0.000 0.266 214 E C -1.224 175.408 176.600 0.052 0.000 0.901 214 E CA -0.731 55.705 56.400 0.060 0.000 0.782 214 E CB 2.982 32.707 29.700 0.041 0.000 1.228 214 E HN 0.647 nan 8.360 nan 0.000 0.424 215 I N -2.542 118.066 120.570 0.063 0.000 3.264 215 I HA 0.452 4.622 4.170 -0.001 0.000 0.315 215 I C -0.593 175.553 176.117 0.047 0.000 1.154 215 I CA -0.953 60.389 61.300 0.069 0.000 0.962 215 I CB 1.621 39.691 38.000 0.117 0.000 1.265 215 I HN 0.341 nan 8.210 nan 0.000 0.463 216 E N 2.083 122.304 120.200 0.034 0.000 2.081 216 E HA 0.227 4.577 4.350 -0.001 0.000 0.281 216 E C -1.114 175.426 176.600 -0.102 0.000 0.986 216 E CA -0.465 55.914 56.400 -0.035 0.000 0.796 216 E CB 0.552 30.227 29.700 -0.041 0.000 1.085 216 E HN 0.598 nan 8.360 nan 0.000 0.398 217 N N 4.356 122.931 118.700 -0.208 0.000 2.462 217 N HA 0.032 4.772 4.740 -0.001 0.000 0.242 217 N C -1.171 173.992 175.510 -0.578 0.000 1.010 217 N CA -0.133 52.605 53.050 -0.520 0.000 0.939 217 N CB 0.866 39.066 38.487 -0.478 0.000 1.127 217 N HN 0.458 nan 8.380 nan 0.000 0.509 218 Q N 3.251 122.691 119.800 -0.601 0.000 2.566 218 Q HA 0.164 4.504 4.340 -0.001 0.000 0.221 218 Q C -0.474 175.316 176.000 -0.350 0.000 1.195 218 Q CA -0.469 55.080 55.803 -0.424 0.000 0.967 218 Q CB 0.122 28.728 28.738 -0.220 0.000 1.337 218 Q HN 0.584 nan 8.270 nan 0.000 0.553 219 H N 0.707 119.621 119.070 -0.259 0.000 2.776 219 H HA -0.241 4.315 4.556 -0.001 0.000 0.300 219 H C -0.548 174.814 175.328 0.057 0.000 1.161 219 H CA 1.134 57.142 56.048 -0.066 0.000 1.147 219 H CB -1.873 27.885 29.762 -0.007 0.000 1.366 219 H HN 0.852 nan 8.280 nan 0.000 0.397 220 Y N -2.166 118.007 120.300 -0.211 0.000 4.538 220 Y HA -0.346 4.204 4.550 -0.001 0.000 0.225 220 Y C 1.645 177.535 175.900 -0.016 0.000 1.074 220 Y CA 1.551 59.577 58.100 -0.123 0.000 1.942 220 Y CB -1.389 37.147 38.460 0.128 0.000 1.618 220 Y HN 0.434 nan 8.280 nan 0.000 0.642 221 Q N -0.177 119.620 119.800 -0.004 0.000 2.392 221 Q HA 0.165 4.504 4.340 -0.001 0.000 0.219 221 Q C 0.622 176.645 176.000 0.039 0.000 0.895 221 Q CA 0.785 56.633 55.803 0.076 0.000 0.929 221 Q CB 1.060 29.837 28.738 0.066 0.000 1.077 221 Q HN 0.718 nan 8.270 nan 0.000 0.532 222 Q N -0.638 119.062 119.800 -0.166 0.000 2.386 222 Q HA 0.448 4.787 4.340 -0.001 0.000 0.274 222 Q C -1.835 173.964 176.000 -0.336 0.000 1.011 222 Q CA -0.330 55.429 55.803 -0.074 0.000 0.867 222 Q CB 1.584 30.306 28.738 -0.026 0.000 1.409 222 Q HN -0.075 nan 8.270 nan 0.000 0.395 223 F N 1.907 121.865 119.950 0.014 0.000 2.477 223 F HA 0.505 5.032 4.527 -0.001 0.000 0.335 223 F C -0.529 175.277 175.800 0.010 0.000 1.130 223 F CA -0.812 57.186 58.000 -0.003 0.000 0.948 223 F CB 2.028 41.033 39.000 0.009 0.000 1.154 223 F HN 0.237 nan 8.300 nan 0.000 0.439 224 V N 4.745 124.735 119.914 0.125 0.000 2.350 224 V HA 0.532 4.651 4.120 -0.001 0.000 0.276 224 V C -0.414 175.733 176.094 0.089 0.000 1.028 224 V CA -0.695 61.656 62.300 0.084 0.000 0.860 224 V CB 1.470 33.310 31.823 0.029 0.000 0.990 224 V HN 0.516 nan 8.190 nan 0.000 0.453 225 V N 5.486 125.454 119.914 0.090 0.000 2.495 225 V HA 0.440 4.559 4.120 -0.001 0.000 0.298 225 V C 0.035 176.159 176.094 0.050 0.000 1.031 225 V CA -1.128 61.218 62.300 0.076 0.000 0.871 225 V CB 1.892 33.772 31.823 0.095 0.000 0.988 225 V HN 0.765 nan 8.190 nan 0.000 0.432 226 K N 2.958 123.376 120.400 0.030 0.000 2.234 226 K HA 0.525 4.845 4.320 -0.001 0.000 0.282 226 K C 0.588 177.195 176.600 0.011 0.000 1.039 226 K CA -0.181 56.115 56.287 0.016 0.000 0.928 226 K CB 1.702 34.204 32.500 0.004 0.000 1.039 226 K HN 0.894 nan 8.250 nan 0.000 0.470 227 G N -0.066 108.743 108.800 0.014 0.000 2.588 227 G HA2 0.379 4.339 3.960 -0.001 0.000 0.281 227 G HA3 0.379 4.339 3.960 -0.001 0.000 0.281 227 G C 0.650 175.549 174.900 -0.003 0.000 1.236 227 G CA -0.047 45.062 45.100 0.015 0.000 0.969 227 G HN 0.748 nan 8.290 nan 0.000 0.504 228 G N -1.629 107.171 108.800 -0.000 0.000 2.179 228 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.257 228 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.257 228 G C 0.412 175.296 174.900 -0.028 0.000 1.010 228 G CA 0.888 45.984 45.100 -0.007 0.000 0.736 228 G HN 0.779 nan 8.290 nan 0.000 0.513 229 Q N -0.533 119.232 119.800 -0.058 0.000 2.171 229 Q HA 0.725 5.064 4.340 -0.001 0.000 0.217 229 Q C -0.181 175.745 176.000 -0.123 0.000 0.995 229 Q CA -0.230 55.512 55.803 -0.101 0.000 0.979 229 Q CB 1.342 29.989 28.738 -0.152 0.000 1.152 229 Q HN 0.249 nan 8.270 nan 0.000 0.525 230 S N -0.295 115.318 115.700 -0.144 0.000 2.548 230 S HA 0.417 4.887 4.470 -0.001 0.000 0.276 230 S C -1.549 173.002 174.600 -0.081 0.000 1.129 230 S CA -0.695 57.463 58.200 -0.069 0.000 0.931 230 S CB 0.618 63.807 63.200 -0.018 0.000 1.068 230 S HN 0.324 nan 8.310 nan 0.000 0.480 231 Y N 1.875 122.275 120.300 0.167 0.000 2.304 231 Y HA 0.455 5.005 4.550 -0.001 0.000 0.327 231 Y C 0.844 176.889 175.900 0.242 0.000 1.209 231 Y CA -0.149 58.062 58.100 0.184 0.000 1.299 231 Y CB 0.676 39.227 38.460 0.151 0.000 1.249 231 Y HN 0.394 nan 8.280 nan 0.000 0.519 232 Q N 0.887 120.925 119.800 0.397 0.000 2.356 232 Q HA 0.243 4.583 4.340 -0.001 0.000 0.270 232 Q C -0.536 175.585 176.000 0.201 0.000 1.058 232 Q CA -0.855 55.102 55.803 0.257 0.000 0.802 232 Q CB 2.310 31.123 28.738 0.125 0.000 1.303 232 Q HN 0.696 nan 8.270 nan 0.000 0.444 233 S N 3.001 118.800 115.700 0.164 0.000 2.552 233 S HA 0.106 4.576 4.470 -0.001 0.000 0.289 233 S C -1.409 173.125 174.600 -0.109 0.000 1.304 233 S CA -0.554 57.679 58.200 0.054 0.000 1.063 233 S CB 0.334 63.584 63.200 0.084 0.000 0.848 233 S HN 0.400 nan 8.310 nan 0.000 0.499 234 P HA 0.262 nan 4.420 nan 0.000 0.257 234 P C 1.040 178.280 177.300 -0.101 0.000 1.281 234 P CA 0.609 63.555 63.100 -0.257 0.000 0.826 234 P CB -0.443 30.982 31.700 -0.458 0.000 1.237 235 G N 1.001 109.770 108.800 -0.052 0.000 2.588 235 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.273 235 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.273 235 G C -0.066 174.849 174.900 0.025 0.000 1.211 235 G CA 0.242 45.341 45.100 -0.000 0.000 0.958 235 G HN 0.522 nan 8.290 nan 0.000 0.543 236 T N -1.606 112.969 114.554 0.035 0.000 2.845 236 T HA 0.590 4.939 4.350 -0.001 0.000 0.288 236 T C -0.747 174.013 174.700 0.100 0.000 0.980 236 T CA 0.166 62.302 62.100 0.059 0.000 1.071 236 T CB 2.124 71.011 68.868 0.032 0.000 0.941 236 T HN 1.466 nan 8.240 nan 0.000 0.487 237 Y N 2.997 123.283 120.300 -0.023 0.000 2.373 237 Y HA 0.575 5.124 4.550 -0.001 0.000 0.336 237 Y C -1.435 174.467 175.900 0.003 0.000 0.979 237 Y CA -1.865 56.220 58.100 -0.025 0.000 1.080 237 Y CB 1.592 40.036 38.460 -0.027 0.000 1.190 237 Y HN 0.824 nan 8.280 nan 0.000 0.446 238 L N 7.347 128.218 121.223 -0.587 0.000 2.260 238 L HA 0.548 4.888 4.340 -0.001 0.000 0.289 238 L C -1.178 175.348 176.870 -0.574 0.000 1.057 238 L CA -0.410 54.184 54.840 -0.410 0.000 0.811 238 L CB 0.796 42.691 42.059 -0.274 0.000 1.184 238 L HN 0.506 nan 8.230 nan 0.000 0.429 239 V N 5.544 125.320 119.914 -0.231 0.000 2.508 239 V HA 0.135 4.254 4.120 -0.001 0.000 0.281 239 V C 0.658 176.706 176.094 -0.077 0.000 1.041 239 V CA -0.528 61.726 62.300 -0.076 0.000 1.016 239 V CB 0.516 32.370 31.823 0.052 0.000 0.984 239 V HN 0.760 nan 8.190 nan 0.000 0.478 240 E N 2.882 123.053 120.200 -0.047 0.000 2.415 240 E HA 0.220 4.570 4.350 -0.001 0.000 0.262 240 E C 0.796 177.388 176.600 -0.013 0.000 1.038 240 E CA 0.223 56.608 56.400 -0.026 0.000 0.921 240 E CB 0.618 30.321 29.700 0.004 0.000 0.950 240 E HN 0.878 nan 8.360 nan 0.000 0.438 241 G N 1.712 110.505 108.800 -0.013 0.000 2.664 241 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.242 241 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.242 241 G C -0.252 174.641 174.900 -0.011 0.000 1.225 241 G CA -0.412 44.678 45.100 -0.017 0.000 0.849 241 G HN 0.518 nan 8.290 nan 0.000 0.581 242 D N 0.997 121.377 120.400 -0.034 0.000 2.339 242 D HA 0.315 4.955 4.640 -0.001 0.000 0.241 242 D C 1.256 177.549 176.300 -0.012 0.000 1.183 242 D CA 0.043 54.027 54.000 -0.026 0.000 0.859 242 D CB 1.364 42.126 40.800 -0.064 0.000 1.067 242 D HN 0.269 nan 8.370 nan 0.000 0.484 243 A N 3.155 125.970 122.820 -0.007 0.000 2.015 243 A HA -0.097 4.222 4.320 -0.001 0.000 0.219 243 A C 2.183 179.707 177.584 -0.100 0.000 1.163 243 A CA 0.932 52.956 52.037 -0.020 0.000 0.646 243 A CB 0.077 19.079 19.000 0.003 0.000 0.806 243 A HN 0.546 nan 8.150 nan 0.000 0.448 244 S N 0.109 115.754 115.700 -0.093 0.000 2.357 244 S HA -0.091 4.379 4.470 -0.001 0.000 0.221 244 S C 2.227 176.679 174.600 -0.247 0.000 1.031 244 S CA 1.379 59.468 58.200 -0.184 0.000 0.982 244 S CB -0.249 62.917 63.200 -0.057 0.000 0.853 244 S HN 0.628 nan 8.310 nan 0.000 0.458 245 S N 1.928 117.610 115.700 -0.031 0.000 2.399 245 S HA -0.009 4.461 4.470 -0.001 0.000 0.231 245 S C 2.169 176.828 174.600 0.098 0.000 1.022 245 S CA 0.868 59.175 58.200 0.178 0.000 0.983 245 S CB -0.427 62.836 63.200 0.105 0.000 0.803 245 S HN 0.593 nan 8.310 nan 0.000 0.480 246 A N 1.890 124.719 122.820 0.015 0.000 2.019 246 A HA -0.093 4.227 4.320 -0.001 0.000 0.219 246 A C 2.315 179.813 177.584 -0.144 0.000 1.164 246 A CA 1.712 53.807 52.037 0.095 0.000 0.644 246 A CB -0.890 18.151 19.000 0.069 0.000 0.805 246 A HN 0.622 nan 8.150 nan 0.000 0.449 247 S N -0.761 114.598 115.700 -0.567 0.000 2.383 247 S HA -0.252 4.218 4.470 -0.001 0.000 0.229 247 S C 1.810 175.967 174.600 -0.738 0.000 1.030 247 S CA 1.610 59.199 58.200 -1.018 0.000 1.002 247 S CB -0.913 61.172 63.200 -1.858 0.000 0.829 247 S HN 0.581 nan 8.310 nan 0.000 0.467 248 Y N 1.127 121.173 120.300 -0.423 0.000 2.181 248 Y HA 0.078 4.627 4.550 -0.001 0.000 0.288 248 Y C 2.123 177.877 175.900 -0.242 0.000 1.146 248 Y CA 0.735 58.602 58.100 -0.389 0.000 1.164 248 Y CB -0.958 37.169 38.460 -0.555 0.000 0.982 248 Y HN 0.260 nan 8.280 nan 0.000 0.515 249 F N -0.939 119.125 119.950 0.190 0.000 2.234 249 F HA -0.051 4.475 4.527 -0.001 0.000 0.296 249 F C 2.091 177.940 175.800 0.081 0.000 1.089 249 F CA 0.625 58.698 58.000 0.123 0.000 1.343 249 F CB -1.166 37.900 39.000 0.111 0.000 1.040 249 F HN -0.043 nan 8.300 nan 0.000 0.498 250 L N -0.258 121.109 121.223 0.240 0.000 2.056 250 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 250 L C 2.721 179.695 176.870 0.173 0.000 1.078 250 L CA 1.187 56.138 54.840 0.186 0.000 0.749 250 L CB -1.085 41.101 42.059 0.211 0.000 0.901 250 L HN 0.144 nan 8.230 nan 0.000 0.433 251 A N 0.165 123.127 122.820 0.236 0.000 1.933 251 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 251 A C 2.557 180.189 177.584 0.079 0.000 1.175 251 A CA 1.638 53.786 52.037 0.185 0.000 0.628 251 A CB -0.678 18.475 19.000 0.255 0.000 0.814 251 A HN 0.394 nan 8.150 nan 0.000 0.444 252 A N -0.108 122.767 122.820 0.092 0.000 1.940 252 A HA 0.092 4.412 4.320 -0.001 0.000 0.219 252 A C 2.467 180.053 177.584 0.002 0.000 1.176 252 A CA 2.224 54.285 52.037 0.041 0.000 0.631 252 A CB -0.916 18.150 19.000 0.111 0.000 0.814 252 A HN 1.064 nan 8.150 nan 0.000 0.446 253 A N -0.412 122.430 122.820 0.036 0.000 1.929 253 A HA 0.272 4.592 4.320 -0.001 0.000 0.216 253 A C 2.453 180.025 177.584 -0.019 0.000 1.176 253 A CA 1.695 53.735 52.037 0.006 0.000 0.628 253 A CB -0.890 18.121 19.000 0.019 0.000 0.816 253 A HN 1.058 nan 8.150 nan 0.000 0.444 254 A N -0.237 122.575 122.820 -0.014 0.000 2.019 254 A HA -0.037 4.283 4.320 -0.001 0.000 0.219 254 A C 2.030 179.584 177.584 -0.051 0.000 1.164 254 A CA 1.542 53.561 52.037 -0.030 0.000 0.644 254 A CB -0.498 18.485 19.000 -0.029 0.000 0.805 254 A HN 0.515 nan 8.150 nan 0.000 0.449 255 I N -2.494 118.018 120.570 -0.097 0.000 2.494 255 I HA 0.030 4.200 4.170 -0.001 0.000 0.250 255 I C 1.737 177.734 176.117 -0.199 0.000 1.112 255 I CA 1.222 62.397 61.300 -0.208 0.000 1.438 255 I CB 0.232 37.963 38.000 -0.448 0.000 1.111 255 I HN 0.085 nan 8.210 nan 0.000 0.431 256 K N 0.574 120.884 120.400 -0.150 0.000 2.644 256 K HA 0.298 4.618 4.320 -0.001 0.000 0.198 256 K C 0.131 176.695 176.600 -0.060 0.000 1.113 256 K CA -0.113 56.106 56.287 -0.113 0.000 1.073 256 K CB 0.692 33.108 32.500 -0.140 0.000 0.811 256 K HN 0.145 nan 8.250 nan 0.000 0.508 257 G N -0.548 108.225 108.800 -0.045 0.000 2.588 257 G HA2 0.525 4.485 3.960 -0.001 0.000 0.281 257 G HA3 0.525 4.485 3.960 -0.001 0.000 0.281 257 G C 0.128 175.014 174.900 -0.024 0.000 1.236 257 G CA 0.018 45.101 45.100 -0.028 0.000 0.969 257 G HN 0.447 nan 8.290 nan 0.000 0.504 258 G N -2.081 106.707 108.800 -0.020 0.000 2.814 258 G HA2 0.207 4.166 3.960 -0.001 0.000 0.677 258 G HA3 0.207 4.166 3.960 -0.001 0.000 0.677 258 G C -0.318 174.569 174.900 -0.021 0.000 1.429 258 G CA -0.037 45.051 45.100 -0.021 0.000 0.868 258 G HN 1.187 nan 8.290 nan 0.000 0.553 259 T N 0.167 114.706 114.554 -0.025 0.000 2.812 259 T HA 0.598 4.948 4.350 -0.001 0.000 0.282 259 T C -0.155 174.528 174.700 -0.028 0.000 0.990 259 T CA -0.394 61.690 62.100 -0.027 0.000 0.960 259 T CB 1.923 70.768 68.868 -0.037 0.000 0.948 259 T HN 1.017 nan 8.240 nan 0.000 0.438 260 V N 3.926 123.831 119.914 -0.015 0.000 2.448 260 V HA 0.529 4.648 4.120 -0.001 0.000 0.295 260 V C -0.024 176.064 176.094 -0.009 0.000 1.025 260 V CA -0.859 61.436 62.300 -0.008 0.000 0.859 260 V CB 1.787 33.634 31.823 0.041 0.000 0.988 260 V HN 0.719 nan 8.190 nan 0.000 0.431 261 K N 4.377 124.755 120.400 -0.036 0.000 2.244 261 K HA 0.763 5.082 4.320 -0.001 0.000 0.260 261 K C -0.946 175.652 176.600 -0.003 0.000 0.951 261 K CA -0.523 55.747 56.287 -0.030 0.000 0.826 261 K CB 1.971 34.397 32.500 -0.124 0.000 1.108 261 K HN 0.595 nan 8.250 nan 0.000 0.433 262 V N 0.421 120.369 119.914 0.056 0.000 2.513 262 V HA 0.625 4.745 4.120 -0.001 0.000 0.299 262 V C -0.272 175.876 176.094 0.090 0.000 1.035 262 V CA -0.625 61.713 62.300 0.062 0.000 0.889 262 V CB 1.141 33.032 31.823 0.114 0.000 0.988 262 V HN 0.907 nan 8.190 nan 0.000 0.440 263 T N 0.125 114.716 114.554 0.061 0.000 2.932 263 T HA 0.828 5.177 4.350 -0.001 0.000 0.289 263 T C 0.855 175.587 174.700 0.053 0.000 1.039 263 T CA 0.065 62.214 62.100 0.082 0.000 1.024 263 T CB 1.404 70.307 68.868 0.058 0.000 1.090 263 T HN 2.430 nan 8.240 nan 0.000 0.496 264 G N 1.027 109.859 108.800 0.052 0.000 2.231 264 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.206 264 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.206 264 G C -0.030 174.886 174.900 0.027 0.000 0.996 264 G CA -0.052 45.063 45.100 0.025 0.000 0.645 264 G HN 1.472 nan 8.290 nan 0.000 0.498 265 I N -2.462 118.136 120.570 0.048 0.000 2.969 265 I HA 0.957 5.127 4.170 -0.001 0.000 0.307 265 I C 0.301 176.459 176.117 0.069 0.000 1.149 265 I CA -0.758 60.575 61.300 0.055 0.000 1.008 265 I CB 1.974 40.012 38.000 0.064 0.000 1.232 265 I HN 0.664 nan 8.210 nan 0.000 0.435 266 G N 2.773 111.631 108.800 0.098 0.000 2.650 266 G HA2 0.288 4.247 3.960 -0.001 0.000 0.310 266 G HA3 0.288 4.247 3.960 -0.001 0.000 0.310 266 G C 0.045 175.082 174.900 0.228 0.000 1.270 266 G CA -0.392 44.782 45.100 0.124 0.000 0.810 266 G HN 0.900 nan 8.290 nan 0.000 0.493 267 R N -0.390 120.220 120.500 0.184 0.000 2.193 267 R HA 0.011 4.351 4.340 -0.001 0.000 0.229 267 R C 0.713 176.969 176.300 -0.073 0.000 1.110 267 R CA 1.537 57.629 56.100 -0.014 0.000 0.988 267 R CB -0.199 30.009 30.300 -0.154 0.000 0.871 267 R HN 0.326 nan 8.270 nan 0.000 0.458 268 N N 0.921 119.610 118.700 -0.018 0.000 2.336 268 N HA 0.037 4.777 4.740 -0.001 0.000 0.189 268 N C -0.341 175.171 175.510 0.003 0.000 1.113 268 N CA 0.114 53.151 53.050 -0.022 0.000 0.858 268 N CB 0.519 38.995 38.487 -0.017 0.000 0.970 268 N HN 0.079 nan 8.380 nan 0.000 0.471 269 S N 1.517 117.236 115.700 0.031 0.000 2.558 269 S HA -0.016 4.454 4.470 -0.001 0.000 0.287 269 S C 1.778 176.395 174.600 0.027 0.000 1.321 269 S CA -0.121 58.102 58.200 0.039 0.000 1.048 269 S CB 0.592 63.834 63.200 0.069 0.000 0.844 269 S HN 0.361 nan 8.310 nan 0.000 0.512 270 M N 0.970 120.588 119.600 0.030 0.000 2.558 270 M HA 0.145 4.625 4.480 -0.001 0.000 0.255 270 M C 0.179 176.479 176.300 0.000 0.000 1.113 270 M CA 0.707 56.023 55.300 0.027 0.000 1.097 270 M CB -0.209 32.422 32.600 0.051 0.000 1.426 270 M HN 0.448 nan 8.290 nan 0.000 0.488 271 Q N 1.561 121.357 119.800 -0.006 0.000 2.304 271 Q HA 0.275 4.614 4.340 -0.001 0.000 0.260 271 Q C 1.252 177.209 176.000 -0.072 0.000 0.965 271 Q CA 0.010 55.777 55.803 -0.060 0.000 0.898 271 Q CB 1.452 30.172 28.738 -0.031 0.000 1.196 271 Q HN 0.524 nan 8.270 nan 0.000 0.402 272 G N 2.728 111.421 108.800 -0.177 0.000 2.448 272 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.219 272 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.219 272 G C 0.576 175.451 174.900 -0.042 0.000 1.127 272 G CA 0.476 45.504 45.100 -0.120 0.000 0.766 272 G HN 0.585 nan 8.290 nan 0.000 0.552 273 D N 0.405 120.763 120.400 -0.070 0.000 2.371 273 D HA -0.064 4.576 4.640 -0.001 0.000 0.221 273 D C 2.550 178.908 176.300 0.097 0.000 0.986 273 D CA 0.245 54.245 54.000 -0.000 0.000 0.899 273 D CB -0.161 40.604 40.800 -0.057 0.000 0.902 273 D HN 0.631 nan 8.370 nan 0.000 0.530 274 I N -1.968 118.677 120.570 0.126 0.000 2.567 274 I HA -0.110 4.060 4.170 -0.001 0.000 0.257 274 I C 1.593 177.911 176.117 0.335 0.000 1.184 274 I CA 0.736 62.183 61.300 0.245 0.000 1.451 274 I CB -0.107 38.089 38.000 0.328 0.000 1.089 274 I HN -0.203 nan 8.210 nan 0.000 0.441 275 R N 0.724 121.374 120.500 0.249 0.000 2.328 275 R HA -0.090 4.250 4.340 -0.001 0.000 0.207 275 R C 1.901 178.346 176.300 0.242 0.000 1.056 275 R CA 0.897 57.151 56.100 0.256 0.000 1.016 275 R CB -0.935 29.514 30.300 0.248 0.000 0.872 275 R HN 0.507 nan 8.270 nan 0.000 0.471 276 F N 1.706 121.693 119.950 0.062 0.000 2.216 276 F HA -0.171 4.356 4.527 -0.001 0.000 0.300 276 F C 2.166 177.983 175.800 0.028 0.000 1.085 276 F CA 1.199 59.205 58.000 0.010 0.000 1.326 276 F CB -0.132 38.836 39.000 -0.054 0.000 1.027 276 F HN 0.018 nan 8.300 nan 0.000 0.497 277 A N 0.142 123.020 122.820 0.096 0.000 1.933 277 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 277 A C 1.905 179.474 177.584 -0.025 0.000 1.175 277 A CA 1.945 53.950 52.037 -0.053 0.000 0.628 277 A CB -0.937 17.982 19.000 -0.136 0.000 0.814 277 A HN 0.456 nan 8.150 nan 0.000 0.444 278 D N -0.180 120.288 120.400 0.113 0.000 2.178 278 D HA -0.089 4.551 4.640 -0.001 0.000 0.201 278 D C 2.000 178.292 176.300 -0.014 0.000 0.980 278 D CA 1.332 55.392 54.000 0.100 0.000 0.842 278 D CB -0.449 40.431 40.800 0.132 0.000 0.948 278 D HN 0.273 nan 8.370 nan 0.000 0.472 279 V N 1.070 120.924 119.914 -0.101 0.000 2.358 279 V HA -0.186 3.933 4.120 -0.001 0.000 0.246 279 V C 2.638 178.600 176.094 -0.219 0.000 1.047 279 V CA 1.018 63.226 62.300 -0.154 0.000 1.035 279 V CB -0.490 31.203 31.823 -0.217 0.000 0.658 279 V HN 0.195 nan 8.190 nan 0.000 0.452 280 L N -0.061 120.946 121.223 -0.359 0.000 2.083 280 L HA -0.218 4.121 4.340 -0.001 0.000 0.209 280 L C 2.618 179.409 176.870 -0.131 0.000 1.083 280 L CA 1.998 56.673 54.840 -0.275 0.000 0.752 280 L CB -0.565 41.306 42.059 -0.313 0.000 0.899 280 L HN 0.450 nan 8.230 nan 0.000 0.433 281 E N 0.701 120.847 120.200 -0.091 0.000 2.077 281 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 281 E C 2.106 178.692 176.600 -0.023 0.000 0.989 281 E CA 1.182 57.564 56.400 -0.030 0.000 0.800 281 E CB 0.145 29.858 29.700 0.022 0.000 0.746 281 E HN 0.396 nan 8.360 nan 0.000 0.452 282 K N -0.237 120.146 120.400 -0.029 0.000 2.209 282 K HA -0.097 4.223 4.320 -0.001 0.000 0.204 282 K C 2.020 178.607 176.600 -0.023 0.000 1.048 282 K CA 1.326 57.602 56.287 -0.019 0.000 0.940 282 K CB -0.054 32.437 32.500 -0.016 0.000 0.729 282 K HN 0.281 nan 8.250 nan 0.000 0.451 283 M N -0.977 118.599 119.600 -0.040 0.000 2.558 283 M HA 0.031 4.511 4.480 -0.001 0.000 0.255 283 M C 0.963 177.252 176.300 -0.018 0.000 1.113 283 M CA 0.945 56.228 55.300 -0.029 0.000 1.097 283 M CB 0.711 33.285 32.600 -0.043 0.000 1.426 283 M HN 0.444 nan 8.290 nan 0.000 0.488 284 G N -0.010 108.778 108.800 -0.021 0.000 2.227 284 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.168 284 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.168 284 G C 0.058 174.949 174.900 -0.015 0.000 1.006 284 G CA -0.208 44.885 45.100 -0.012 0.000 0.684 284 G HN 0.594 nan 8.290 nan 0.000 0.489 285 A N -0.089 122.714 122.820 -0.029 0.000 2.257 285 A HA 0.830 5.149 4.320 -0.001 0.000 0.289 285 A C 0.428 177.998 177.584 -0.024 0.000 1.095 285 A CA 0.575 52.594 52.037 -0.031 0.000 0.836 285 A CB 0.717 19.687 19.000 -0.051 0.000 1.111 285 A HN 0.604 nan 8.150 nan 0.000 0.497 286 T N 1.775 116.316 114.554 -0.022 0.000 2.794 286 T HA 0.528 4.878 4.350 -0.001 0.000 0.280 286 T C -0.386 174.294 174.700 -0.033 0.000 0.987 286 T CA -0.065 62.028 62.100 -0.012 0.000 0.993 286 T CB 0.393 69.260 68.868 -0.003 0.000 0.939 286 T HN 0.362 nan 8.240 nan 0.000 0.449 287 I N 2.222 122.772 120.570 -0.033 0.000 2.474 287 I HA 0.445 4.615 4.170 -0.001 0.000 0.294 287 I C -0.187 175.873 176.117 -0.094 0.000 1.005 287 I CA -0.699 60.527 61.300 -0.124 0.000 1.113 287 I CB 1.596 39.490 38.000 -0.175 0.000 1.289 287 I HN 0.646 nan 8.210 nan 0.000 0.436 288 C N 4.788 123.999 119.300 -0.149 0.000 2.455 288 C HA 0.587 5.046 4.460 -0.001 0.000 0.320 288 C C -0.712 174.195 174.990 -0.139 0.000 1.226 288 C CA -0.673 58.351 59.018 0.010 0.000 1.569 288 C CB 1.196 29.032 27.740 0.159 0.000 2.200 288 C HN 0.735 nan 8.230 nan 0.000 0.491 289 W N 1.549 122.831 121.300 -0.029 0.000 2.632 289 W HA 0.626 5.286 4.660 -0.001 0.000 0.328 289 W C 0.410 176.630 176.519 -0.497 0.000 1.044 289 W CA -0.001 57.214 57.345 -0.217 0.000 1.225 289 W CB 1.615 30.998 29.460 -0.129 0.000 1.396 289 W HN 0.969 nan 8.180 nan 0.000 0.499 290 G N 0.702 109.074 108.800 -0.714 0.000 3.015 290 G HA2 0.208 4.167 3.960 -0.001 0.000 0.281 290 G HA3 0.208 4.167 3.960 -0.001 0.000 0.281 290 G C -0.601 174.107 174.900 -0.320 0.000 1.386 290 G CA -0.455 44.155 45.100 -0.816 0.000 0.959 290 G HN 0.401 nan 8.290 nan 0.000 0.522 291 D N -1.524 118.777 120.400 -0.164 0.000 2.149 291 D HA -0.025 4.615 4.640 -0.001 0.000 0.201 291 D C 0.822 177.102 176.300 -0.033 0.000 0.972 291 D CA 1.168 55.134 54.000 -0.056 0.000 0.835 291 D CB 0.395 41.188 40.800 -0.011 0.000 0.966 291 D HN 0.283 nan 8.370 nan 0.000 0.476 292 D N -1.668 118.723 120.400 -0.014 0.000 2.599 292 D HA 0.109 4.749 4.640 -0.001 0.000 0.249 292 D C -1.221 175.155 176.300 0.127 0.000 1.313 292 D CA -0.405 53.626 54.000 0.052 0.000 0.815 292 D CB 0.183 41.028 40.800 0.075 0.000 1.077 292 D HN 0.254 nan 8.370 nan 0.000 0.492 293 Y N -1.719 118.610 120.300 0.048 0.000 2.638 293 Y HA 0.623 5.173 4.550 -0.001 0.000 0.335 293 Y C -1.659 174.241 175.900 0.000 0.000 1.155 293 Y CA -1.492 56.618 58.100 0.017 0.000 1.046 293 Y CB 0.942 39.401 38.460 -0.002 0.000 1.303 293 Y HN -0.235 nan 8.280 nan 0.000 0.460 294 I N 2.803 123.444 120.570 0.119 0.000 2.582 294 I HA 0.631 4.801 4.170 -0.001 0.000 0.292 294 I C -0.821 175.326 176.117 0.049 0.000 1.066 294 I CA -0.828 60.402 61.300 -0.117 0.000 1.053 294 I CB 2.479 40.276 38.000 -0.338 0.000 1.241 294 I HN 0.837 nan 8.210 nan 0.000 0.421 295 S N 4.331 120.032 115.700 0.000 0.000 2.568 295 S HA 0.703 5.172 4.470 -0.001 0.000 0.293 295 S C -1.074 173.479 174.600 -0.078 0.000 1.089 295 S CA -0.708 57.493 58.200 0.002 0.000 0.945 295 S CB 2.085 65.301 63.200 0.028 0.000 1.077 295 S HN 0.759 nan 8.310 nan 0.000 0.485 296 C N 2.228 121.501 119.300 -0.045 0.000 2.498 296 C HA 0.856 5.316 4.460 -0.001 0.000 0.316 296 C C -0.434 174.540 174.990 -0.027 0.000 1.209 296 C CA 0.120 59.109 59.018 -0.048 0.000 1.518 296 C CB 0.622 28.345 27.740 -0.028 0.000 2.147 296 C HN 1.009 nan 8.230 nan 0.000 0.483 297 T N 4.331 118.868 114.554 -0.028 0.000 2.841 297 T HA 0.434 4.783 4.350 -0.001 0.000 0.283 297 T C -0.467 174.221 174.700 -0.020 0.000 1.000 297 T CA -0.435 61.652 62.100 -0.021 0.000 0.977 297 T CB 1.223 70.081 68.868 -0.017 0.000 0.979 297 T HN 0.805 nan 8.240 nan 0.000 0.446 298 R N 1.738 122.226 120.500 -0.020 0.000 2.537 298 R HA 0.385 4.725 4.340 -0.001 0.000 0.281 298 R C 0.809 177.101 176.300 -0.014 0.000 0.988 298 R CA 0.814 56.902 56.100 -0.020 0.000 1.077 298 R CB -0.307 29.980 30.300 -0.022 0.000 0.932 298 R HN 0.847 nan 8.270 nan 0.000 0.409 299 G N 3.421 112.213 108.800 -0.012 0.000 2.710 299 G HA2 0.227 4.186 3.960 -0.001 0.000 0.198 299 G HA3 0.227 4.186 3.960 -0.001 0.000 0.198 299 G C -0.793 174.105 174.900 -0.002 0.000 1.797 299 G CA 0.175 45.271 45.100 -0.006 0.000 0.759 299 G HN 0.694 nan 8.290 nan 0.000 0.808 300 E N -1.229 118.970 120.200 -0.001 0.000 2.450 300 E HA 0.722 5.072 4.350 -0.001 0.000 0.272 300 E C -2.038 174.567 176.600 0.007 0.000 0.967 300 E CA -0.920 55.484 56.400 0.007 0.000 0.818 300 E CB 2.455 32.161 29.700 0.010 0.000 1.401 300 E HN 0.228 nan 8.360 nan 0.000 0.450 301 L N 1.804 123.039 121.223 0.020 0.000 2.491 301 L HA 0.434 4.773 4.340 -0.001 0.000 0.267 301 L C -1.717 175.171 176.870 0.031 0.000 0.971 301 L CA -0.412 54.443 54.840 0.026 0.000 0.857 301 L CB 1.395 43.483 42.059 0.049 0.000 1.226 301 L HN 0.513 nan 8.230 nan 0.000 0.408 302 N N 2.700 121.410 118.700 0.017 0.000 2.361 302 N HA 0.688 5.427 4.740 -0.001 0.000 0.302 302 N C -0.293 175.225 175.510 0.013 0.000 1.074 302 N CA -0.521 52.539 53.050 0.016 0.000 0.850 302 N CB 2.320 40.812 38.487 0.008 0.000 1.228 302 N HN 0.655 nan 8.380 nan 0.000 0.491 303 A N 1.329 124.158 122.820 0.015 0.000 2.466 303 A HA 0.414 4.734 4.320 -0.001 0.000 0.238 303 A C 0.285 177.873 177.584 0.007 0.000 1.074 303 A CA 0.203 52.248 52.037 0.013 0.000 0.774 303 A CB -0.326 18.681 19.000 0.012 0.000 1.015 303 A HN 0.681 nan 8.150 nan 0.000 0.498 304 I N -2.158 118.416 120.570 0.007 0.000 3.074 304 I HA 0.737 4.906 4.170 -0.001 0.000 0.310 304 I C -0.998 175.121 176.117 0.004 0.000 1.153 304 I CA -0.866 60.435 61.300 0.003 0.000 0.993 304 I CB 2.442 40.442 38.000 0.000 0.000 1.237 304 I HN 0.383 nan 8.210 nan 0.000 0.443 305 D N 3.921 124.321 120.400 -0.001 0.000 2.402 305 D HA 0.602 5.241 4.640 -0.001 0.000 0.252 305 D C -1.444 174.854 176.300 -0.004 0.000 1.294 305 D CA -0.083 53.912 54.000 -0.008 0.000 0.948 305 D CB 1.049 41.836 40.800 -0.021 0.000 1.202 305 D HN 0.702 nan 8.370 nan 0.000 0.561 306 M N 1.418 121.022 119.600 0.006 0.000 2.531 306 M HA 0.225 4.705 4.480 -0.001 0.000 0.286 306 M C -0.885 175.435 176.300 0.034 0.000 1.232 306 M CA -1.015 54.300 55.300 0.025 0.000 0.877 306 M CB 2.617 35.250 32.600 0.055 0.000 1.726 306 M HN 0.122 nan 8.290 nan 0.000 0.463 307 D N 2.714 123.143 120.400 0.049 0.000 2.343 307 D HA 0.196 4.836 4.640 -0.001 0.000 0.255 307 D C -0.254 176.140 176.300 0.156 0.000 1.187 307 D CA 0.112 54.149 54.000 0.063 0.000 0.875 307 D CB 0.968 41.796 40.800 0.046 0.000 1.136 307 D HN 0.476 nan 8.370 nan 0.000 0.469 308 M N 3.509 123.167 119.600 0.097 0.000 2.576 308 M HA 0.029 4.509 4.480 -0.001 0.000 0.322 308 M C 1.304 177.636 176.300 0.053 0.000 1.184 308 M CA -0.244 55.097 55.300 0.069 0.000 0.967 308 M CB -0.706 31.902 32.600 0.012 0.000 1.372 308 M HN 0.476 nan 8.290 nan 0.000 0.509 309 N N 1.468 120.260 118.700 0.154 0.000 2.272 309 N HA -0.194 4.546 4.740 -0.001 0.000 0.185 309 N C 1.438 177.049 175.510 0.169 0.000 1.014 309 N CA 1.210 54.343 53.050 0.137 0.000 0.870 309 N CB 0.081 38.643 38.487 0.126 0.000 0.975 309 N HN 0.534 nan 8.380 nan 0.000 0.433 310 H N 0.082 119.191 119.070 0.065 0.000 2.547 310 H HA 0.043 4.599 4.556 -0.001 0.000 0.272 310 H C 1.013 176.389 175.328 0.080 0.000 0.989 310 H CA 0.365 56.447 56.048 0.057 0.000 1.214 310 H CB -0.242 29.533 29.762 0.022 0.000 1.389 310 H HN 0.341 nan 8.280 nan 0.000 0.577 311 I N -1.625 118.757 120.570 -0.314 0.000 2.908 311 I HA 0.286 4.456 4.170 -0.001 0.000 0.319 311 I C -2.326 173.812 176.117 0.034 0.000 1.471 311 I CA -2.017 59.192 61.300 -0.152 0.000 0.809 311 I CB 1.778 39.629 38.000 -0.248 0.000 2.186 311 I HN -0.270 nan 8.210 nan 0.000 0.607 312 P HA -0.210 nan 4.420 nan 0.000 0.218 312 P C 1.482 178.933 177.300 0.252 0.000 1.148 312 P CA 2.132 65.420 63.100 0.314 0.000 0.822 312 P CB 0.518 32.391 31.700 0.289 0.000 0.784 313 A N 0.845 123.726 122.820 0.103 0.000 1.843 313 A HA 0.124 4.444 4.320 -0.001 0.000 0.213 313 A C 2.550 180.058 177.584 -0.127 0.000 1.202 313 A CA 1.796 53.805 52.037 -0.048 0.000 0.607 313 A CB -1.576 17.418 19.000 -0.010 0.000 0.847 313 A HN 0.193 nan 8.150 nan 0.000 0.445 314 A N -0.182 122.551 122.820 -0.144 0.000 2.070 314 A HA 0.195 4.514 4.320 -0.001 0.000 0.220 314 A C 2.341 179.883 177.584 -0.069 0.000 1.159 314 A CA 1.821 53.659 52.037 -0.331 0.000 0.656 314 A CB -0.858 17.899 19.000 -0.406 0.000 0.800 314 A HN 1.069 nan 8.150 nan 0.000 0.453 315 A N -0.288 122.607 122.820 0.126 0.000 2.024 315 A HA -0.143 4.177 4.320 -0.001 0.000 0.220 315 A C 2.145 179.925 177.584 0.325 0.000 1.164 315 A CA 1.703 53.908 52.037 0.279 0.000 0.643 315 A CB -0.571 18.636 19.000 0.344 0.000 0.806 315 A HN 0.568 nan 8.150 nan 0.000 0.451 316 M N -0.767 118.923 119.600 0.150 0.000 2.213 316 M HA -0.131 4.349 4.480 -0.001 0.000 0.263 316 M C 2.058 178.357 176.300 -0.002 0.000 1.062 316 M CA 1.880 57.145 55.300 -0.057 0.000 1.105 316 M CB -0.749 31.585 32.600 -0.443 0.000 1.385 316 M HN 0.407 nan 8.290 nan 0.000 0.417 317 T N 0.980 115.514 114.554 -0.034 0.000 2.833 317 T HA -0.051 4.299 4.350 -0.001 0.000 0.269 317 T C 1.773 176.564 174.700 0.152 0.000 1.054 317 T CA 0.914 63.007 62.100 -0.011 0.000 1.135 317 T CB -0.119 68.567 68.868 -0.304 0.000 0.869 317 T HN 0.225 nan 8.240 nan 0.000 0.466 318 I N 1.732 122.455 120.570 0.255 0.000 2.394 318 I HA -0.058 4.111 4.170 -0.001 0.000 0.251 318 I C 2.896 179.089 176.117 0.127 0.000 1.136 318 I CA 0.757 62.175 61.300 0.197 0.000 1.425 318 I CB -1.617 36.486 38.000 0.172 0.000 1.079 318 I HN 0.184 nan 8.210 nan 0.000 0.425 319 A N 1.243 124.147 122.820 0.138 0.000 1.908 319 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 319 A C 2.421 179.998 177.584 -0.011 0.000 1.181 319 A CA 2.701 54.798 52.037 0.100 0.000 0.627 319 A CB -1.045 18.067 19.000 0.186 0.000 0.818 319 A HN 0.548 nan 8.150 nan 0.000 0.445 320 T N -2.852 111.648 114.554 -0.090 0.000 2.978 320 T HA 0.302 4.651 4.350 -0.001 0.000 0.262 320 T C 1.954 176.674 174.700 0.034 0.000 1.063 320 T CA 1.136 63.128 62.100 -0.179 0.000 1.140 320 T CB -0.412 68.213 68.868 -0.405 0.000 0.886 320 T HN 0.532 nan 8.240 nan 0.000 0.470 321 A N 1.986 124.876 122.820 0.118 0.000 1.978 321 A HA 0.280 4.599 4.320 -0.001 0.000 0.220 321 A C 2.748 180.458 177.584 0.209 0.000 1.170 321 A CA 1.706 53.881 52.037 0.231 0.000 0.636 321 A CB -1.346 17.750 19.000 0.160 0.000 0.810 321 A HN 0.736 nan 8.150 nan 0.000 0.448 322 A N -0.219 122.657 122.820 0.093 0.000 2.076 322 A HA -0.058 4.262 4.320 -0.001 0.000 0.220 322 A C 2.003 179.580 177.584 -0.013 0.000 1.160 322 A CA 1.394 53.460 52.037 0.048 0.000 0.653 322 A CB -0.616 18.403 19.000 0.032 0.000 0.801 322 A HN 0.517 nan 8.150 nan 0.000 0.455 323 L N -2.307 118.852 121.223 -0.107 0.000 2.265 323 L HA -0.125 4.215 4.340 -0.001 0.000 0.215 323 L C 1.558 178.152 176.870 -0.459 0.000 1.117 323 L CA 0.978 55.612 54.840 -0.344 0.000 0.782 323 L CB -0.344 41.355 42.059 -0.599 0.000 0.914 323 L HN 0.462 nan 8.230 nan 0.000 0.441 324 F N -0.597 119.353 119.950 0.001 0.000 2.678 324 F HA 0.331 4.858 4.527 -0.001 0.000 0.305 324 F C 1.268 177.071 175.800 0.005 0.000 1.090 324 F CA -0.438 57.566 58.000 0.006 0.000 1.272 324 F CB -0.022 38.983 39.000 0.008 0.000 1.060 324 F HN -0.119 nan 8.300 nan 0.000 0.576 325 A N 0.621 123.517 122.820 0.127 0.000 2.279 325 A HA 0.495 4.815 4.320 -0.001 0.000 0.303 325 A C 0.063 177.675 177.584 0.047 0.000 1.108 325 A CA -0.684 51.402 52.037 0.082 0.000 0.830 325 A CB 0.524 19.559 19.000 0.060 0.000 1.106 325 A HN 0.179 nan 8.150 nan 0.000 0.493 326 K N 1.063 121.486 120.400 0.039 0.000 2.285 326 K HA 0.503 4.823 4.320 -0.001 0.000 0.286 326 K C 0.390 177.001 176.600 0.017 0.000 1.072 326 K CA 0.721 57.024 56.287 0.026 0.000 0.913 326 K CB 0.605 33.119 32.500 0.024 0.000 1.067 326 K HN 1.393 nan 8.250 nan 0.000 0.479 327 G N 1.684 110.491 108.800 0.012 0.000 2.498 327 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.651 327 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.651 327 G C -0.819 174.086 174.900 0.009 0.000 1.284 327 G CA -1.128 43.978 45.100 0.009 0.000 0.950 327 G HN 0.393 nan 8.290 nan 0.000 0.511 328 T N 1.564 116.123 114.554 0.009 0.000 2.743 328 T HA 0.614 4.963 4.350 -0.001 0.000 0.293 328 T C 0.417 175.126 174.700 0.014 0.000 0.945 328 T CA 0.355 62.462 62.100 0.011 0.000 1.030 328 T CB 1.182 70.058 68.868 0.012 0.000 0.912 328 T HN 0.704 nan 8.240 nan 0.000 0.483 329 T N 3.681 118.247 114.554 0.020 0.000 2.837 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.285 329 T C 0.056 174.775 174.700 0.031 0.000 0.984 329 T CA -0.437 61.677 62.100 0.023 0.000 1.049 329 T CB 0.928 69.815 68.868 0.030 0.000 0.947 329 T HN 0.503 nan 8.240 nan 0.000 0.472 330 T N 4.141 118.709 114.554 0.023 0.000 2.841 330 T HA 0.534 4.884 4.350 -0.001 0.000 0.285 330 T C -0.581 174.130 174.700 0.017 0.000 0.991 330 T CA -0.621 61.496 62.100 0.028 0.000 0.966 330 T CB 0.609 69.472 68.868 -0.008 0.000 0.962 330 T HN 0.333 nan 8.240 nan 0.000 0.438 331 L N 3.951 125.184 121.223 0.017 0.000 2.305 331 L HA 0.618 4.957 4.340 -0.001 0.000 0.284 331 L C 0.344 177.183 176.870 -0.051 0.000 1.013 331 L CA -0.866 53.956 54.840 -0.030 0.000 0.819 331 L CB 1.424 43.442 42.059 -0.068 0.000 1.227 331 L HN 0.385 nan 8.230 nan 0.000 0.417 332 R N 1.710 122.186 120.500 -0.040 0.000 2.828 332 R HA 0.385 4.725 4.340 -0.001 0.000 0.264 332 R C -0.001 176.275 176.300 -0.040 0.000 1.022 332 R CA -1.104 54.986 56.100 -0.017 0.000 1.021 332 R CB 0.889 31.173 30.300 -0.026 0.000 1.163 332 R HN 0.586 nan 8.270 nan 0.000 0.494 333 N N 1.243 119.939 118.700 -0.006 0.000 2.738 333 N HA -0.150 4.589 4.740 -0.001 0.000 0.249 333 N C -0.576 174.905 175.510 -0.049 0.000 1.047 333 N CA 0.678 53.732 53.050 0.007 0.000 0.707 333 N CB -0.839 37.667 38.487 0.031 0.000 0.937 333 N HN 0.636 nan 8.380 nan 0.000 0.545 334 I N -3.269 117.199 120.570 -0.170 0.000 3.326 334 I HA 0.218 4.387 4.170 -0.001 0.000 0.336 334 I C 1.351 177.288 176.117 -0.300 0.000 1.543 334 I CA -0.900 60.181 61.300 -0.366 0.000 1.013 334 I CB -0.231 37.173 38.000 -0.992 0.000 1.468 334 I HN 0.075 nan 8.210 nan 0.000 0.515 335 Y N 4.103 124.300 120.300 -0.171 0.000 2.151 335 Y HA -0.329 4.221 4.550 -0.000 0.000 0.284 335 Y C 2.355 178.236 175.900 -0.032 0.000 1.166 335 Y CA 2.510 60.524 58.100 -0.144 0.000 1.163 335 Y CB -0.165 38.245 38.460 -0.084 0.000 0.974 335 Y HN 0.641 nan 8.280 nan 0.000 0.511 336 N N -0.949 117.678 118.700 -0.122 0.000 2.609 336 N HA -0.200 4.539 4.740 -0.001 0.000 0.190 336 N C 1.122 176.620 175.510 -0.021 0.000 1.157 336 N CA 0.973 53.938 53.050 -0.142 0.000 0.918 336 N CB -1.330 37.188 38.487 0.052 0.000 0.978 336 N HN 0.419 nan 8.380 nan 0.000 0.448 337 W N 1.600 122.759 121.300 -0.235 0.000 2.364 337 W HA 0.037 4.697 4.660 -0.001 0.000 0.281 337 W C 1.961 178.343 176.519 -0.227 0.000 1.219 337 W CA 0.632 57.865 57.345 -0.186 0.000 1.220 337 W CB -0.276 29.091 29.460 -0.155 0.000 1.127 337 W HN 0.214 nan 8.180 nan 0.000 0.556 338 R N -0.185 120.231 120.500 -0.142 0.000 2.235 338 R HA -0.036 4.303 4.340 -0.001 0.000 0.213 338 R C 1.230 177.453 176.300 -0.129 0.000 1.059 338 R CA 1.385 57.371 56.100 -0.191 0.000 0.997 338 R CB -0.470 29.591 30.300 -0.397 0.000 0.884 338 R HN 0.186 nan 8.270 nan 0.000 0.462 339 V N -2.338 117.505 119.914 -0.118 0.000 3.006 339 V HA 0.312 4.432 4.120 -0.001 0.000 0.357 339 V C 0.343 176.430 176.094 -0.013 0.000 1.377 339 V CA -0.420 61.863 62.300 -0.029 0.000 1.198 339 V CB -0.105 31.729 31.823 0.018 0.000 1.216 339 V HN -0.022 nan 8.190 nan 0.000 0.520 340 K N 0.290 120.670 120.400 -0.033 0.000 2.264 340 K HA 0.488 4.808 4.320 -0.001 0.000 0.272 340 K C 1.089 177.677 176.600 -0.020 0.000 1.003 340 K CA -0.235 56.030 56.287 -0.037 0.000 1.266 340 K CB 0.489 32.948 32.500 -0.069 0.000 1.820 340 K HN 0.043 nan 8.250 nan 0.000 0.818 341 E N 0.296 120.488 120.200 -0.013 0.000 2.219 341 E HA -0.134 4.216 4.350 -0.001 0.000 0.198 341 E C 0.430 177.045 176.600 0.025 0.000 0.998 341 E CA 1.220 57.632 56.400 0.020 0.000 0.818 341 E CB 0.092 29.837 29.700 0.075 0.000 0.741 341 E HN 0.296 nan 8.360 nan 0.000 0.477 342 T N -1.578 112.972 114.554 -0.006 0.000 2.731 342 T HA 0.103 4.453 4.350 -0.001 0.000 0.300 342 T C -1.950 172.732 174.700 -0.031 0.000 1.283 342 T CA -0.909 61.197 62.100 0.010 0.000 1.005 342 T CB 1.291 70.185 68.868 0.043 0.000 1.420 342 T HN -0.111 nan 8.240 nan 0.000 0.503 343 D N 1.181 121.576 120.400 -0.009 0.000 2.359 343 D HA 0.229 4.869 4.640 -0.001 0.000 0.250 343 D C 1.106 177.391 176.300 -0.024 0.000 1.264 343 D CA -0.050 53.948 54.000 -0.003 0.000 0.911 343 D CB 0.645 41.464 40.800 0.032 0.000 1.056 343 D HN 0.417 nan 8.370 nan 0.000 0.499 344 R N 2.706 123.181 120.500 -0.043 0.000 2.189 344 R HA 0.026 4.366 4.340 -0.001 0.000 0.218 344 R C 1.962 178.333 176.300 0.119 0.000 1.074 344 R CA 0.515 56.544 56.100 -0.118 0.000 0.991 344 R CB 0.255 30.318 30.300 -0.395 0.000 0.883 344 R HN 0.468 nan 8.270 nan 0.000 0.457 345 L N -0.574 120.819 121.223 0.284 0.000 2.044 345 L HA -0.138 4.201 4.340 -0.001 0.000 0.205 345 L C 2.155 179.090 176.870 0.108 0.000 1.075 345 L CA 1.039 56.037 54.840 0.263 0.000 0.747 345 L CB -0.329 41.785 42.059 0.092 0.000 0.903 345 L HN 0.134 nan 8.230 nan 0.000 0.435 346 F N 0.763 120.687 119.950 -0.044 0.000 2.102 346 F HA -0.218 4.308 4.527 -0.001 0.000 0.298 346 F C 2.387 178.098 175.800 -0.148 0.000 1.105 346 F CA 1.332 59.289 58.000 -0.071 0.000 1.239 346 F CB -0.350 38.611 39.000 -0.065 0.000 0.991 346 F HN -0.004 nan 8.300 nan 0.000 0.474 347 A N 0.259 122.851 122.820 -0.379 0.000 1.877 347 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 347 A C 2.205 179.508 177.584 -0.469 0.000 1.186 347 A CA 1.946 53.483 52.037 -0.834 0.000 0.620 347 A CB -0.962 17.273 19.000 -1.275 0.000 0.822 347 A HN 0.514 nan 8.150 nan 0.000 0.443 348 M N 0.354 119.828 119.600 -0.210 0.000 2.117 348 M HA -0.033 4.447 4.480 -0.001 0.000 0.262 348 M C 2.138 178.451 176.300 0.022 0.000 1.065 348 M CA 1.785 57.099 55.300 0.024 0.000 1.114 348 M CB -0.698 31.990 32.600 0.146 0.000 1.361 348 M HN 0.370 nan 8.290 nan 0.000 0.408 349 A N -1.206 121.574 122.820 -0.065 0.000 1.877 349 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 349 A C 2.207 179.701 177.584 -0.150 0.000 1.186 349 A CA 2.338 54.328 52.037 -0.078 0.000 0.620 349 A CB -1.434 17.511 19.000 -0.092 0.000 0.822 349 A HN 0.573 nan 8.150 nan 0.000 0.443 350 T N 0.092 114.443 114.554 -0.338 0.000 2.708 350 T HA -0.117 4.232 4.350 -0.001 0.000 0.266 350 T C 1.803 176.387 174.700 -0.194 0.000 1.037 350 T CA 1.578 63.480 62.100 -0.331 0.000 1.146 350 T CB -0.237 68.304 68.868 -0.545 0.000 0.865 350 T HN 0.477 nan 8.240 nan 0.000 0.435 351 E N 1.048 121.118 120.200 -0.217 0.000 2.152 351 E HA 0.079 4.429 4.350 -0.001 0.000 0.192 351 E C 2.334 178.896 176.600 -0.064 0.000 0.983 351 E CA 0.433 56.647 56.400 -0.309 0.000 0.818 351 E CB -0.483 28.717 29.700 -0.833 0.000 0.758 351 E HN 0.452 nan 8.360 nan 0.000 0.467 352 L N 0.434 121.756 121.223 0.164 0.000 2.083 352 L HA -0.154 4.186 4.340 -0.001 0.000 0.209 352 L C 2.556 179.471 176.870 0.076 0.000 1.083 352 L CA 1.176 56.153 54.840 0.228 0.000 0.752 352 L CB -0.266 41.889 42.059 0.159 0.000 0.899 352 L HN 0.045 nan 8.230 nan 0.000 0.433 353 R N 0.022 120.530 120.500 0.013 0.000 2.148 353 R HA -0.146 4.193 4.340 -0.001 0.000 0.227 353 R C 2.186 178.477 176.300 -0.014 0.000 1.103 353 R CA 0.970 57.066 56.100 -0.007 0.000 0.983 353 R CB -0.152 30.133 30.300 -0.025 0.000 0.874 353 R HN 0.328 nan 8.270 nan 0.000 0.451 354 K N 0.409 120.790 120.400 -0.032 0.000 2.209 354 K HA -0.077 4.243 4.320 -0.001 0.000 0.204 354 K C 1.717 178.297 176.600 -0.033 0.000 1.048 354 K CA 1.330 57.589 56.287 -0.047 0.000 0.940 354 K CB 0.164 32.605 32.500 -0.098 0.000 0.729 354 K HN 0.167 nan 8.250 nan 0.000 0.451 355 V N -3.832 116.079 119.914 -0.005 0.000 3.596 355 V HA 0.397 4.516 4.120 -0.001 0.000 0.289 355 V C 0.919 177.008 176.094 -0.009 0.000 1.336 355 V CA 0.457 62.755 62.300 -0.004 0.000 1.137 355 V CB 0.067 31.905 31.823 0.026 0.000 0.966 355 V HN 0.359 nan 8.190 nan 0.000 0.428 356 G N -0.453 108.343 108.800 -0.006 0.000 2.229 356 G HA2 0.018 3.977 3.960 -0.001 0.000 0.189 356 G HA3 0.018 3.977 3.960 -0.001 0.000 0.189 356 G C 0.397 175.288 174.900 -0.015 0.000 1.000 356 G CA 0.020 45.114 45.100 -0.010 0.000 0.663 356 G HN 1.449 nan 8.290 nan 0.000 0.493 357 A N 0.252 123.063 122.820 -0.015 0.000 2.351 357 A HA 0.633 4.952 4.320 -0.001 0.000 0.257 357 A C 0.391 177.973 177.584 -0.003 0.000 1.087 357 A CA 0.575 52.603 52.037 -0.015 0.000 0.798 357 A CB 0.526 19.517 19.000 -0.014 0.000 1.033 357 A HN 0.599 nan 8.150 nan 0.000 0.488 358 E N 1.186 121.386 120.200 0.000 0.000 2.174 358 E HA 0.518 4.868 4.350 -0.001 0.000 0.282 358 E C -1.515 175.093 176.600 0.014 0.000 0.992 358 E CA -0.373 56.031 56.400 0.008 0.000 0.803 358 E CB 0.909 30.615 29.700 0.010 0.000 1.090 358 E HN 0.354 nan 8.360 nan 0.000 0.396 359 V N 4.508 124.431 119.914 0.015 0.000 2.577 359 V HA 0.235 4.354 4.120 -0.001 0.000 0.303 359 V C -0.489 175.619 176.094 0.022 0.000 1.042 359 V CA -0.868 61.444 62.300 0.021 0.000 0.872 359 V CB 1.718 33.548 31.823 0.013 0.000 0.998 359 V HN 0.757 nan 8.190 nan 0.000 0.423 360 E N 3.638 123.861 120.200 0.039 0.000 2.146 360 E HA 0.275 4.624 4.350 -0.001 0.000 0.282 360 E C -0.424 176.161 176.600 -0.025 0.000 0.989 360 E CA -0.415 56.007 56.400 0.037 0.000 0.799 360 E CB 1.112 30.875 29.700 0.106 0.000 1.088 360 E HN 0.786 nan 8.360 nan 0.000 0.397 361 E N 4.186 124.349 120.200 -0.061 0.000 1.963 361 E HA 0.243 4.593 4.350 -0.001 0.000 0.274 361 E C -0.267 176.171 176.600 -0.269 0.000 1.061 361 E CA -0.472 55.854 56.400 -0.124 0.000 0.847 361 E CB 0.485 30.163 29.700 -0.036 0.000 1.083 361 E HN 0.673 nan 8.360 nan 0.000 0.402 362 G N 2.101 110.497 108.800 -0.673 0.000 2.599 362 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.264 362 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.264 362 G C 0.524 175.116 174.900 -0.514 0.000 1.200 362 G CA -0.249 44.175 45.100 -1.128 0.000 0.896 362 G HN 0.789 nan 8.290 nan 0.000 0.536 363 H N -0.376 118.514 119.070 -0.299 0.000 2.387 363 H HA -0.109 4.447 4.556 -0.001 0.000 0.299 363 H C 1.032 176.372 175.328 0.019 0.000 1.090 363 H CA 2.235 58.250 56.048 -0.054 0.000 1.332 363 H CB 0.400 30.188 29.762 0.044 0.000 1.386 363 H HN 0.511 nan 8.280 nan 0.000 0.516 364 D N -1.868 118.452 120.400 -0.134 0.000 2.692 364 D HA 0.085 4.725 4.640 -0.001 0.000 0.290 364 D C -0.651 175.635 176.300 -0.024 0.000 1.455 364 D CA -0.508 53.445 54.000 -0.078 0.000 0.796 364 D CB -1.035 39.827 40.800 0.104 0.000 1.131 364 D HN 0.501 nan 8.370 nan 0.000 0.467 365 Y N -1.801 118.412 120.300 -0.144 0.000 2.689 365 Y HA 0.698 5.247 4.550 -0.001 0.000 0.333 365 Y C -2.021 173.789 175.900 -0.149 0.000 1.208 365 Y CA -1.746 56.248 58.100 -0.177 0.000 1.055 365 Y CB 1.306 39.710 38.460 -0.093 0.000 1.304 365 Y HN -0.059 nan 8.280 nan 0.000 0.455 366 I N 1.906 122.497 120.570 0.036 0.000 2.656 366 I HA 0.589 4.759 4.170 -0.001 0.000 0.292 366 I C -1.525 174.682 176.117 0.149 0.000 1.144 366 I CA -1.022 60.284 61.300 0.010 0.000 1.038 366 I CB 1.979 39.958 38.000 -0.034 0.000 1.244 366 I HN 0.894 nan 8.210 nan 0.000 0.420 367 R N 7.731 128.322 120.500 0.151 0.000 2.480 367 R HA 0.722 5.062 4.340 -0.001 0.000 0.306 367 R C -1.915 174.429 176.300 0.073 0.000 0.958 367 R CA -0.516 55.660 56.100 0.126 0.000 0.861 367 R CB 1.414 31.812 30.300 0.163 0.000 1.171 367 R HN 0.629 nan 8.270 nan 0.000 0.445 368 I N 3.337 123.938 120.570 0.052 0.000 2.447 368 I HA 0.265 4.435 4.170 -0.001 0.000 0.287 368 I C -0.648 175.480 176.117 0.019 0.000 1.023 368 I CA -0.640 60.679 61.300 0.033 0.000 1.083 368 I CB 2.499 40.518 38.000 0.032 0.000 1.245 368 I HN 0.545 nan 8.210 nan 0.000 0.434 369 T N 7.079 121.640 114.554 0.011 0.000 2.788 369 T HA 0.387 4.737 4.350 -0.001 0.000 0.296 369 T C -2.510 172.182 174.700 -0.013 0.000 1.009 369 T CA -1.412 60.690 62.100 0.002 0.000 0.949 369 T CB 1.202 70.074 68.868 0.008 0.000 0.946 369 T HN 0.227 nan 8.240 nan 0.000 0.453 370 P HA 0.284 nan 4.420 nan 0.000 0.272 370 P C -2.385 174.888 177.300 -0.045 0.000 1.223 370 P CA -1.435 61.630 63.100 -0.057 0.000 0.784 370 P CB -0.219 31.433 31.700 -0.079 0.000 0.923 371 P HA 0.183 nan 4.420 nan 0.000 0.278 371 P C 0.550 177.830 177.300 -0.034 0.000 1.266 371 P CA -0.201 62.878 63.100 -0.036 0.000 0.807 371 P CB 1.119 32.797 31.700 -0.036 0.000 1.094 372 E N 0.325 120.516 120.200 -0.015 0.000 2.110 372 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 372 E C 0.629 177.226 176.600 -0.005 0.000 0.988 372 E CA 1.538 57.935 56.400 -0.005 0.000 0.804 372 E CB 0.006 29.709 29.700 0.004 0.000 0.745 372 E HN 0.582 nan 8.360 nan 0.000 0.458 373 K N -0.620 119.775 120.400 -0.008 0.000 2.527 373 K HA 0.433 4.752 4.320 -0.001 0.000 0.260 373 K C -0.732 175.861 176.600 -0.012 0.000 0.937 373 K CA -0.648 55.637 56.287 -0.002 0.000 0.826 373 K CB 1.388 33.900 32.500 0.020 0.000 1.359 373 K HN -0.202 nan 8.250 nan 0.000 0.434 374 L N 2.390 123.602 121.223 -0.018 0.000 2.453 374 L HA 0.314 4.654 4.340 -0.001 0.000 0.261 374 L C 0.303 177.190 176.870 0.029 0.000 1.179 374 L CA -0.677 54.151 54.840 -0.019 0.000 0.813 374 L CB 0.514 42.550 42.059 -0.038 0.000 1.110 374 L HN 0.856 nan 8.230 nan 0.000 0.466 375 N N 0.448 119.169 118.700 0.036 0.000 2.453 375 N HA 0.300 5.040 4.740 -0.001 0.000 0.290 375 N C -0.973 174.598 175.510 0.102 0.000 1.250 375 N CA -0.729 52.369 53.050 0.080 0.000 0.815 375 N CB 1.904 40.434 38.487 0.072 0.000 1.381 375 N HN 0.321 nan 8.380 nan 0.000 0.510 376 F N 0.723 120.687 119.950 0.024 0.000 2.518 376 F HA 0.462 4.988 4.527 -0.001 0.000 0.359 376 F C -0.192 175.620 175.800 0.020 0.000 1.118 376 F CA -0.036 57.979 58.000 0.026 0.000 1.287 376 F CB 0.412 39.423 39.000 0.018 0.000 1.132 376 F HN 0.730 nan 8.300 nan 0.000 0.587 377 A N 4.776 126.967 122.820 -1.049 0.000 2.587 377 A HA 0.449 4.769 4.320 -0.001 0.000 0.293 377 A C -1.301 175.664 177.584 -1.032 0.000 1.087 377 A CA -0.847 50.733 52.037 -0.762 0.000 0.692 377 A CB 1.219 20.023 19.000 -0.325 0.000 1.291 377 A HN 0.769 nan 8.150 nan 0.000 0.407 378 E N 1.839 121.745 120.200 -0.491 0.000 2.081 378 E HA 0.433 4.783 4.350 -0.001 0.000 0.281 378 E C -0.911 175.549 176.600 -0.232 0.000 0.986 378 E CA -0.529 55.710 56.400 -0.268 0.000 0.796 378 E CB 0.447 30.119 29.700 -0.047 0.000 1.085 378 E HN 0.472 nan 8.360 nan 0.000 0.398 379 I N 3.678 124.107 120.570 -0.235 0.000 2.342 379 I HA 0.236 4.406 4.170 -0.001 0.000 0.291 379 I C 0.589 176.578 176.117 -0.214 0.000 1.010 379 I CA -0.429 60.707 61.300 -0.273 0.000 1.308 379 I CB 0.623 38.439 38.000 -0.307 0.000 1.400 379 I HN 0.548 nan 8.210 nan 0.000 0.488 380 A N 4.719 127.403 122.820 -0.227 0.000 2.354 380 A HA 0.496 4.816 4.320 -0.001 0.000 0.269 380 A C 0.941 178.440 177.584 -0.141 0.000 1.109 380 A CA -0.169 51.711 52.037 -0.262 0.000 0.800 380 A CB 0.206 18.927 19.000 -0.465 0.000 1.045 380 A HN 0.846 nan 8.150 nan 0.000 0.489 381 T N -2.164 112.325 114.554 -0.109 0.000 3.040 381 T HA 0.230 4.580 4.350 -0.001 0.000 0.266 381 T C 0.102 174.945 174.700 0.240 0.000 1.005 381 T CA 0.465 62.627 62.100 0.102 0.000 0.906 381 T CB -0.633 68.261 68.868 0.043 0.000 1.082 381 T HN 0.847 nan 8.240 nan 0.000 0.531 382 Y N 2.384 122.663 120.300 -0.034 0.000 3.825 382 Y HA -0.272 4.277 4.550 -0.001 0.000 0.221 382 Y C 0.580 176.481 175.900 0.003 0.000 1.195 382 Y CA 0.353 58.448 58.100 -0.009 0.000 1.699 382 Y CB -3.077 35.380 38.460 -0.004 0.000 1.531 382 Y HN 0.362 nan 8.280 nan 0.000 0.640 383 N N -0.265 118.495 118.700 0.100 0.000 2.708 383 N HA -0.216 4.524 4.740 -0.001 0.000 0.249 383 N C -0.680 174.897 175.510 0.112 0.000 1.097 383 N CA 1.603 54.704 53.050 0.084 0.000 0.710 383 N CB -0.549 37.979 38.487 0.068 0.000 1.032 383 N HN 0.681 nan 8.380 nan 0.000 0.551 384 D N -0.608 119.872 120.400 0.132 0.000 2.454 384 D HA 0.164 4.804 4.640 -0.001 0.000 0.247 384 D C 1.409 177.784 176.300 0.124 0.000 1.129 384 D CA -0.588 53.501 54.000 0.148 0.000 0.877 384 D CB 0.321 41.160 40.800 0.065 0.000 1.082 384 D HN 0.418 nan 8.370 nan 0.000 0.537 385 H N 2.587 121.630 119.070 -0.045 0.000 2.362 385 H HA -0.168 4.387 4.556 -0.001 0.000 0.294 385 H C 1.282 176.497 175.328 -0.189 0.000 1.113 385 H CA 1.196 57.187 56.048 -0.096 0.000 1.253 385 H CB 0.131 29.850 29.762 -0.072 0.000 1.363 385 H HN 0.224 nan 8.280 nan 0.000 0.494 386 R N -0.108 120.032 120.500 -0.600 0.000 2.148 386 R HA -0.015 4.325 4.340 -0.001 0.000 0.223 386 R C 2.158 178.283 176.300 -0.291 0.000 1.088 386 R CA 1.087 56.876 56.100 -0.520 0.000 0.985 386 R CB -0.005 29.972 30.300 -0.537 0.000 0.880 386 R HN 0.396 nan 8.270 nan 0.000 0.451 387 M N 0.224 119.732 119.600 -0.154 0.000 2.132 387 M HA -0.050 4.430 4.480 -0.001 0.000 0.263 387 M C 2.425 178.771 176.300 0.077 0.000 1.065 387 M CA 1.407 56.722 55.300 0.026 0.000 1.122 387 M CB -0.856 31.774 32.600 0.049 0.000 1.365 387 M HN 0.146 nan 8.290 nan 0.000 0.411 388 A N 0.166 122.970 122.820 -0.027 0.000 1.877 388 A HA -0.147 4.172 4.320 -0.001 0.000 0.216 388 A C 2.227 179.706 177.584 -0.175 0.000 1.186 388 A CA 1.572 53.620 52.037 0.018 0.000 0.620 388 A CB -0.545 18.499 19.000 0.072 0.000 0.822 388 A HN 0.477 nan 8.150 nan 0.000 0.443 389 M N -1.166 118.053 119.600 -0.635 0.000 2.175 389 M HA -0.153 4.327 4.480 -0.001 0.000 0.264 389 M C 2.382 178.236 176.300 -0.744 0.000 1.063 389 M CA 1.175 55.700 55.300 -1.292 0.000 1.119 389 M CB -0.657 30.490 32.600 -2.421 0.000 1.377 389 M HN 0.538 nan 8.290 nan 0.000 0.415 390 C N -0.175 118.888 119.300 -0.396 0.000 2.429 390 C HA -0.141 4.318 4.460 -0.001 0.000 0.277 390 C C 2.434 177.287 174.990 -0.229 0.000 1.262 390 C CA 0.766 59.680 59.018 -0.174 0.000 1.733 390 C CB -1.068 26.570 27.740 -0.169 0.000 2.010 390 C HN 0.442 nan 8.230 nan 0.000 0.483 391 F N 1.888 121.802 119.950 -0.060 0.000 2.661 391 F HA -0.060 4.467 4.527 -0.001 0.000 0.298 391 F C 2.580 178.419 175.800 0.064 0.000 1.137 391 F CA 1.123 59.127 58.000 0.007 0.000 1.454 391 F CB -0.369 38.622 39.000 -0.015 0.000 1.103 391 F HN 0.271 nan 8.300 nan 0.000 0.577 392 S N 0.290 116.096 115.700 0.177 0.000 2.419 392 S HA -0.191 4.278 4.470 -0.001 0.000 0.235 392 S C 1.843 176.555 174.600 0.187 0.000 1.019 392 S CA 1.000 59.356 58.200 0.260 0.000 0.982 392 S CB -0.881 62.537 63.200 0.363 0.000 0.789 392 S HN 0.482 nan 8.310 nan 0.000 0.490 393 L N 1.090 122.386 121.223 0.122 0.000 2.362 393 L HA 0.030 4.369 4.340 -0.001 0.000 0.219 393 L C 2.351 179.367 176.870 0.245 0.000 1.134 393 L CA 0.334 55.255 54.840 0.135 0.000 0.807 393 L CB -0.693 41.436 42.059 0.116 0.000 0.927 393 L HN 0.242 nan 8.230 nan 0.000 0.447 394 V N 0.591 120.641 119.914 0.228 0.000 2.594 394 V HA -0.266 3.853 4.120 -0.001 0.000 0.253 394 V C 2.623 178.890 176.094 0.288 0.000 1.069 394 V CA 1.701 64.168 62.300 0.278 0.000 1.082 394 V CB -0.724 31.206 31.823 0.178 0.000 0.680 394 V HN 0.525 nan 8.190 nan 0.000 0.469 395 A N -0.530 122.414 122.820 0.207 0.000 2.209 395 A HA 0.091 4.410 4.320 -0.001 0.000 0.212 395 A C 1.486 179.148 177.584 0.130 0.000 1.158 395 A CA 0.553 52.688 52.037 0.163 0.000 0.742 395 A CB -0.469 18.613 19.000 0.138 0.000 0.790 395 A HN 0.548 nan 8.150 nan 0.000 0.472 396 L N 1.538 122.821 121.223 0.101 0.000 2.873 396 L HA 0.174 4.514 4.340 -0.001 0.000 0.236 396 L C 0.596 177.474 176.870 0.013 0.000 1.375 396 L CA -0.058 54.749 54.840 -0.054 0.000 1.239 396 L CB -0.792 41.086 42.059 -0.302 0.000 1.603 396 L HN 0.517 nan 8.230 nan 0.000 0.430 397 S N -3.581 112.219 115.700 0.166 0.000 2.843 397 S HA 0.327 4.797 4.470 -0.001 0.000 0.301 397 S C 0.057 174.749 174.600 0.153 0.000 1.206 397 S CA -0.816 57.534 58.200 0.251 0.000 0.875 397 S CB 1.360 64.781 63.200 0.368 0.000 1.248 397 S HN 0.065 nan 8.310 nan 0.000 0.555 398 D N 1.010 121.494 120.400 0.140 0.000 2.340 398 D HA 0.199 4.839 4.640 -0.001 0.000 0.220 398 D C 0.322 176.686 176.300 0.106 0.000 1.039 398 D CA 0.825 54.886 54.000 0.101 0.000 0.866 398 D CB 0.397 41.247 40.800 0.083 0.000 0.913 398 D HN 0.504 nan 8.370 nan 0.000 0.523 399 T N 1.311 115.944 114.554 0.131 0.000 2.855 399 T HA 0.399 4.748 4.350 -0.001 0.000 0.281 399 T C -2.687 172.118 174.700 0.175 0.000 1.007 399 T CA -2.295 59.896 62.100 0.151 0.000 1.009 399 T CB 2.136 71.101 68.868 0.163 0.000 0.983 399 T HN -0.230 nan 8.240 nan 0.000 0.455 400 P HA 0.418 nan 4.420 nan 0.000 0.275 400 P C -1.110 176.352 177.300 0.270 0.000 1.266 400 P CA -0.480 62.756 63.100 0.226 0.000 0.793 400 P CB 0.823 32.664 31.700 0.236 0.000 1.074 401 V N -0.582 119.443 119.914 0.184 0.000 2.971 401 V HA 0.448 4.568 4.120 -0.001 0.000 0.309 401 V C -1.019 175.095 176.094 0.033 0.000 1.130 401 V CA -0.356 61.942 62.300 -0.004 0.000 0.964 401 V CB 2.414 34.248 31.823 0.019 0.000 1.029 401 V HN 0.539 nan 8.190 nan 0.000 0.427 402 T N 7.338 121.821 114.554 -0.117 0.000 2.779 402 T HA 0.599 4.949 4.350 -0.001 0.000 0.280 402 T C -0.605 174.051 174.700 -0.073 0.000 0.987 402 T CA -0.247 61.854 62.100 0.002 0.000 0.966 402 T CB 0.856 69.819 68.868 0.158 0.000 0.933 402 T HN 0.451 nan 8.240 nan 0.000 0.442 403 I N 4.465 125.000 120.570 -0.059 0.000 2.330 403 I HA 0.342 4.512 4.170 -0.001 0.000 0.289 403 I C 0.244 176.321 176.117 -0.066 0.000 1.001 403 I CA -0.728 60.541 61.300 -0.052 0.000 1.193 403 I CB 1.048 39.039 38.000 -0.015 0.000 1.345 403 I HN 0.489 nan 8.210 nan 0.000 0.461 404 L N 5.114 126.298 121.223 -0.064 0.000 2.417 404 L HA 0.162 4.501 4.340 -0.001 0.000 0.268 404 L C 0.667 177.514 176.870 -0.038 0.000 1.158 404 L CA -0.134 54.670 54.840 -0.060 0.000 0.819 404 L CB 0.122 42.132 42.059 -0.081 0.000 1.112 404 L HN 0.621 nan 8.230 nan 0.000 0.458 405 D N 1.660 122.041 120.400 -0.031 0.000 2.735 405 D HA -0.136 4.504 4.640 -0.001 0.000 0.235 405 D C -1.376 174.942 176.300 0.030 0.000 1.175 405 D CA 0.279 54.276 54.000 -0.005 0.000 0.683 405 D CB 0.052 40.849 40.800 -0.004 0.000 1.008 405 D HN 0.354 nan 8.370 nan 0.000 0.416 406 P HA -0.198 nan 4.420 nan 0.000 0.219 406 P C 1.013 178.430 177.300 0.195 0.000 1.146 406 P CA 0.999 64.155 63.100 0.095 0.000 0.808 406 P CB 0.091 31.701 31.700 -0.150 0.000 0.779 407 K N -0.086 120.380 120.400 0.111 0.000 2.515 407 K HA -0.051 4.269 4.320 -0.001 0.000 0.196 407 K C 2.127 178.792 176.600 0.108 0.000 1.038 407 K CA 1.066 57.423 56.287 0.116 0.000 0.967 407 K CB -0.747 31.798 32.500 0.075 0.000 0.780 407 K HN 0.352 nan 8.250 nan 0.000 0.483 408 C N 0.220 119.582 119.300 0.103 0.000 2.437 408 C HA -0.049 4.411 4.460 -0.001 0.000 0.283 408 C C 2.684 177.739 174.990 0.108 0.000 1.424 408 C CA 0.775 59.849 59.018 0.093 0.000 1.782 408 C CB -1.619 26.173 27.740 0.087 0.000 1.833 408 C HN 0.463 nan 8.230 nan 0.000 0.532 409 T N -0.540 114.085 114.554 0.119 0.000 2.977 409 T HA -0.000 4.349 4.350 -0.001 0.000 0.271 409 T C 1.875 176.648 174.700 0.122 0.000 1.105 409 T CA 1.457 63.609 62.100 0.087 0.000 1.116 409 T CB -0.626 68.226 68.868 -0.026 0.000 0.878 409 T HN 0.812 nan 8.240 nan 0.000 0.509 410 A N 1.585 124.469 122.820 0.106 0.000 2.186 410 A HA -0.022 4.298 4.320 -0.001 0.000 0.219 410 A C 2.322 179.924 177.584 0.030 0.000 1.159 410 A CA 1.625 53.716 52.037 0.090 0.000 0.680 410 A CB -0.782 18.262 19.000 0.074 0.000 0.787 410 A HN 0.631 nan 8.150 nan 0.000 0.467 411 K N -0.419 119.955 120.400 -0.043 0.000 2.074 411 K HA -0.182 4.138 4.320 -0.001 0.000 0.209 411 K C 1.582 178.081 176.600 -0.167 0.000 1.048 411 K CA 2.014 58.188 56.287 -0.189 0.000 0.926 411 K CB -0.076 32.109 32.500 -0.525 0.000 0.713 411 K HN 0.640 nan 8.250 nan 0.000 0.444 412 T N -3.871 110.650 114.554 -0.056 0.000 3.041 412 T HA 0.166 4.516 4.350 -0.001 0.000 0.276 412 T C -0.132 174.678 174.700 0.183 0.000 0.948 412 T CA -0.621 61.516 62.100 0.062 0.000 0.885 412 T CB 0.470 69.431 68.868 0.155 0.000 1.175 412 T HN 0.050 nan 8.240 nan 0.000 0.529 413 F N 1.859 121.843 119.950 0.057 0.000 3.098 413 F HA 0.450 4.977 4.527 -0.001 0.000 0.403 413 F C -2.829 173.029 175.800 0.096 0.000 1.195 413 F CA -2.916 55.140 58.000 0.093 0.000 1.220 413 F CB 1.618 40.688 39.000 0.116 0.000 2.443 413 F HN -0.190 nan 8.300 nan 0.000 0.632 414 P HA -0.122 nan 4.420 nan 0.000 0.216 414 P C 0.604 178.039 177.300 0.224 0.000 1.150 414 P CA 1.593 64.831 63.100 0.231 0.000 0.843 414 P CB 0.358 32.156 31.700 0.163 0.000 0.787 415 D N -2.730 117.860 120.400 0.318 0.000 2.370 415 D HA -0.005 4.634 4.640 -0.001 0.000 0.230 415 D C 1.295 177.538 176.300 -0.095 0.000 1.143 415 D CA -0.228 53.879 54.000 0.177 0.000 0.834 415 D CB -0.787 40.153 40.800 0.233 0.000 0.944 415 D HN 0.166 nan 8.370 nan 0.000 0.504 416 Y N 0.750 120.696 120.300 -0.590 0.000 2.069 416 Y HA -0.327 4.223 4.550 -0.001 0.000 0.278 416 Y C 1.539 177.045 175.900 -0.657 0.000 1.175 416 Y CA 1.757 59.124 58.100 -1.220 0.000 1.134 416 Y CB -0.402 37.266 38.460 -1.319 0.000 0.965 416 Y HN -0.082 nan 8.280 nan 0.000 0.498 417 F N 0.445 120.199 119.950 -0.326 0.000 2.234 417 F HA -0.117 4.410 4.527 -0.001 0.000 0.299 417 F C 2.608 178.260 175.800 -0.247 0.000 1.087 417 F CA 1.652 59.470 58.000 -0.304 0.000 1.340 417 F CB -0.637 38.319 39.000 -0.073 0.000 1.031 417 F HN 0.145 nan 8.300 nan 0.000 0.500 418 E N 0.405 120.590 120.200 -0.023 0.000 2.106 418 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 418 E C 1.955 178.489 176.600 -0.110 0.000 0.984 418 E CA 1.065 57.446 56.400 -0.031 0.000 0.806 418 E CB -0.039 29.665 29.700 0.006 0.000 0.750 418 E HN 0.383 nan 8.360 nan 0.000 0.458 419 Q N 0.321 120.007 119.800 -0.191 0.000 2.119 419 Q HA -0.121 4.218 4.340 -0.001 0.000 0.201 419 Q C 2.359 178.179 176.000 -0.299 0.000 0.972 419 Q CA 0.680 56.340 55.803 -0.238 0.000 0.847 419 Q CB -0.442 28.198 28.738 -0.163 0.000 0.903 419 Q HN 0.269 nan 8.270 nan 0.000 0.433 420 L N 0.782 121.827 121.223 -0.298 0.000 2.046 420 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 420 L C 2.119 178.939 176.870 -0.083 0.000 1.077 420 L CA 2.037 56.799 54.840 -0.130 0.000 0.747 420 L CB -0.790 41.084 42.059 -0.309 0.000 0.896 420 L HN 0.108 nan 8.230 nan 0.000 0.432 421 A N -0.322 122.451 122.820 -0.079 0.000 1.933 421 A HA -0.250 4.069 4.320 -0.001 0.000 0.218 421 A C 2.528 180.081 177.584 -0.053 0.000 1.175 421 A CA 1.691 53.707 52.037 -0.035 0.000 0.628 421 A CB -0.696 18.296 19.000 -0.012 0.000 0.814 421 A HN 0.541 nan 8.150 nan 0.000 0.444 422 R N 0.413 120.860 120.500 -0.088 0.000 2.105 422 R HA -0.119 4.221 4.340 -0.001 0.000 0.239 422 R C 1.752 177.998 176.300 -0.089 0.000 1.135 422 R CA 1.942 57.988 56.100 -0.091 0.000 0.967 422 R CB -0.441 29.786 30.300 -0.122 0.000 0.861 422 R HN 0.718 nan 8.270 nan 0.000 0.442 423 I N -1.948 118.562 120.570 -0.101 0.000 3.883 423 I HA 0.227 4.397 4.170 -0.001 0.000 0.326 423 I C -0.230 175.866 176.117 -0.034 0.000 1.283 423 I CA -0.276 60.980 61.300 -0.074 0.000 1.161 423 I CB 0.585 38.535 38.000 -0.083 0.000 1.012 423 I HN -0.148 nan 8.210 nan 0.000 0.421 424 S N 2.718 118.403 115.700 -0.025 0.000 2.499 424 S HA 0.361 4.831 4.470 -0.001 0.000 0.275 424 S C -0.089 174.504 174.600 -0.011 0.000 1.257 424 S CA -0.456 57.740 58.200 -0.007 0.000 1.050 424 S CB 0.659 63.862 63.200 0.005 0.000 0.937 424 S HN 0.315 nan 8.310 nan 0.000 0.490 425 Q N 1.141 120.936 119.800 -0.008 0.000 2.413 425 Q HA 0.563 4.903 4.340 -0.001 0.000 0.276 425 Q C 0.298 176.296 176.000 -0.004 0.000 1.099 425 Q CA -0.745 55.052 55.803 -0.009 0.000 0.814 425 Q CB 1.803 30.533 28.738 -0.014 0.000 1.379 425 Q HN 0.636 nan 8.270 nan 0.000 0.436 426 A N 0.117 122.935 122.820 -0.003 0.000 2.147 426 A HA 0.525 4.844 4.320 -0.001 0.000 0.211 426 A C 0.601 178.185 177.584 0.000 0.000 1.160 426 A CA 1.180 53.218 52.037 0.001 0.000 0.781 426 A CB 0.268 19.269 19.000 0.002 0.000 0.842 426 A HN 0.651 nan 8.150 nan 0.000 0.475 427 A N 0.000 122.818 122.820 -0.003 0.000 2.254 427 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 427 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 427 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 427 A HN 0.000 nan 8.150 nan 0.000 0.486