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 2jjm_1_B DATA FIRST_RESID 2 DATA SEQUENCE KLKIGITCYP XXGGSGVVGT ELGKQLAERG HEIHFITSGL PXXXXKVYPN DATA SEQUENCE IYFHEVTVNX XXXFQYPPYD LALASKMAEV AQRENLDILH VHYAIPHAIC DATA SEQUENCE AYLAKQMIGE RIKIVTTLHG TDITVLGSDP SLNNLIRFGI EQSDVVTAVS DATA SEQUENCE HSLINETHEL VKPNKDIQTV YNFIDERVYF KRDMTQLKKE YGISXXXKIL DATA SEQUENCE IHISNFRKVK RVQDVVQAFA KIVTEVDAKL LLVGDGPEFC TILQLVKNLH DATA SEQUENCE IEDRVLFLGK QDNVAELLAM SDLMLLLSEK ESFGLVLLEA MACGVPCIGT DATA SEQUENCE RVGGIPEVIQ HGDTGYLCEV GDTTGVADQA IQLLKDEELH RNMGERARES DATA SEQUENCE VYEQFRSEKI VSQYETIYYD VLR 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.768 176.600 0.280 0.000 0.988 2 K CA 0.000 56.389 56.287 0.170 0.000 0.838 2 K CB 0.000 32.596 32.500 0.160 0.000 1.064 3 L N 1.345 122.799 121.223 0.385 0.000 2.482 3 L HA 0.459 4.799 4.340 0.000 0.000 0.263 3 L C -1.486 175.421 176.870 0.061 0.000 0.957 3 L CA -0.465 54.469 54.840 0.158 0.000 0.836 3 L CB 2.301 44.312 42.059 -0.079 0.000 1.324 3 L HN 0.217 nan 8.230 nan 0.000 0.406 4 K N 5.263 125.641 120.400 -0.036 0.000 2.299 4 K HA 0.593 4.913 4.320 0.000 0.000 0.268 4 K C -0.892 175.618 176.600 -0.150 0.000 1.075 4 K CA -0.381 55.881 56.287 -0.041 0.000 0.936 4 K CB 0.682 33.148 32.500 -0.058 0.000 1.228 4 K HN 0.312 nan 8.250 nan 0.000 0.454 5 I N 1.402 121.868 120.570 -0.174 0.000 2.525 5 I HA 0.416 4.586 4.170 0.000 0.000 0.301 5 I C 0.735 176.719 176.117 -0.221 0.000 0.992 5 I CA -0.888 60.231 61.300 -0.302 0.000 1.162 5 I CB 1.466 39.203 38.000 -0.439 0.000 1.332 5 I HN 0.542 nan 8.210 nan 0.000 0.458 6 G N 5.482 114.138 108.800 -0.239 0.000 2.487 6 G HA2 0.672 4.632 3.960 0.000 0.000 0.314 6 G HA3 0.672 4.632 3.960 0.000 0.000 0.314 6 G C -0.939 173.831 174.900 -0.217 0.000 1.267 6 G CA -0.232 44.747 45.100 -0.201 0.000 0.937 6 G HN 0.344 nan 8.290 nan 0.000 0.481 7 I N 1.112 121.493 120.570 -0.314 0.000 2.460 7 I HA 0.528 4.698 4.170 0.000 0.000 0.298 7 I C 0.304 176.369 176.117 -0.087 0.000 0.989 7 I CA -0.288 60.869 61.300 -0.238 0.000 1.173 7 I CB 2.515 40.263 38.000 -0.420 0.000 1.338 7 I HN 0.268 nan 8.210 nan 0.000 0.456 8 T N 4.718 119.226 114.554 -0.076 0.000 2.879 8 T HA 0.686 5.036 4.350 0.000 0.000 0.290 8 T C -0.845 173.674 174.700 -0.303 0.000 0.993 8 T CA -0.457 61.530 62.100 -0.188 0.000 0.975 8 T CB 0.932 69.610 68.868 -0.317 0.000 0.981 8 T HN 0.885 nan 8.240 nan 0.000 0.439 9 C N 1.518 120.626 119.300 -0.320 0.000 3.260 9 C HA 0.648 5.108 4.460 0.000 0.000 0.366 9 C C -2.018 172.850 174.990 -0.204 0.000 1.537 9 C CA -1.155 57.683 59.018 -0.301 0.000 1.160 9 C CB 0.283 27.898 27.740 -0.207 0.000 1.760 9 C HN 0.716 nan 8.230 nan 0.000 0.432 10 Y N 1.565 121.882 120.300 0.028 0.000 2.944 10 Y HA 0.522 5.072 4.550 0.000 0.000 0.335 10 Y C -1.799 174.063 175.900 -0.063 0.000 1.075 10 Y CA -2.014 56.084 58.100 -0.004 0.000 1.240 10 Y CB -0.885 37.556 38.460 -0.032 0.000 1.167 10 Y HN 0.569 nan 8.280 nan 0.000 0.555 15 G N 0.618 109.400 108.800 -0.029 0.000 2.395 15 G HA2 0.094 4.054 3.960 0.000 0.000 0.214 15 G HA3 0.094 4.054 3.960 0.000 0.000 0.214 15 G C 2.244 177.089 174.900 -0.092 0.000 1.177 15 G CA 2.617 47.705 45.100 -0.020 0.000 0.794 15 G HN 1.540 nan 8.290 nan 0.000 0.532 16 S N 0.983 116.545 115.700 -0.230 0.000 2.374 16 S HA -0.064 4.406 4.470 0.000 0.000 0.227 16 S C 2.464 176.923 174.600 -0.236 0.000 1.037 16 S CA 1.836 59.781 58.200 -0.426 0.000 1.024 16 S CB -1.068 61.911 63.200 -0.368 0.000 0.861 16 S HN 0.463 nan 8.310 nan 0.000 0.456 17 G N 1.593 110.315 108.800 -0.130 0.000 2.421 17 G HA2 -0.119 3.842 3.960 0.000 0.000 0.216 17 G HA3 -0.119 3.842 3.960 0.000 0.000 0.216 17 G C 1.481 176.306 174.900 -0.125 0.000 1.171 17 G CA 1.106 46.140 45.100 -0.110 0.000 0.775 17 G HN 0.505 nan 8.290 nan 0.000 0.543 18 V N 0.809 120.664 119.914 -0.100 0.000 2.231 18 V HA -0.237 3.883 4.120 0.000 0.000 0.248 18 V C 3.040 179.051 176.094 -0.138 0.000 1.054 18 V CA 1.894 64.137 62.300 -0.094 0.000 1.015 18 V CB -0.958 30.818 31.823 -0.078 0.000 0.638 18 V HN 0.255 nan 8.190 nan 0.000 0.444 19 V N 1.051 120.869 119.914 -0.160 0.000 2.261 19 V HA -0.183 3.937 4.120 0.000 0.000 0.246 19 V C 2.725 178.718 176.094 -0.168 0.000 1.047 19 V CA 2.287 64.465 62.300 -0.203 0.000 1.015 19 V CB -1.727 30.088 31.823 -0.012 0.000 0.642 19 V HN 0.605 nan 8.190 nan 0.000 0.446 20 G N -0.097 108.490 108.800 -0.355 0.000 2.476 20 G HA2 -0.295 3.665 3.960 0.000 0.000 0.218 20 G HA3 -0.295 3.665 3.960 0.000 0.000 0.218 20 G C 1.688 176.544 174.900 -0.073 0.000 1.164 20 G CA 1.827 46.590 45.100 -0.561 0.000 0.768 20 G HN 0.485 nan 8.290 nan 0.000 0.560 21 T N 0.522 115.059 114.554 -0.028 0.000 2.708 21 T HA -0.077 4.273 4.350 0.000 0.000 0.266 21 T C 2.217 177.003 174.700 0.144 0.000 1.037 21 T CA 1.619 63.755 62.100 0.059 0.000 1.146 21 T CB -0.159 68.647 68.868 -0.103 0.000 0.865 21 T HN 0.353 nan 8.240 nan 0.000 0.435 22 E N 1.038 121.286 120.200 0.080 0.000 2.072 22 E HA -0.068 4.282 4.350 0.000 0.000 0.191 22 E C 1.981 178.780 176.600 0.332 0.000 0.985 22 E CA 0.546 57.047 56.400 0.168 0.000 0.801 22 E CB -0.582 29.159 29.700 0.067 0.000 0.750 22 E HN 0.322 nan 8.360 nan 0.000 0.452 23 L N -0.121 121.334 121.223 0.386 0.000 2.079 23 L HA -0.018 4.322 4.340 0.000 0.000 0.210 23 L C 2.083 179.071 176.870 0.196 0.000 1.081 23 L CA 2.499 57.581 54.840 0.403 0.000 0.752 23 L CB -1.057 41.167 42.059 0.274 0.000 0.896 23 L HN 0.212 nan 8.230 nan 0.000 0.433 24 G N -0.903 107.995 108.800 0.164 0.000 2.403 24 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 24 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 24 G C 1.695 176.627 174.900 0.053 0.000 1.154 24 G CA 0.713 45.840 45.100 0.046 0.000 0.784 24 G HN 0.466 nan 8.290 nan 0.000 0.538 25 K N -0.131 120.329 120.400 0.101 0.000 2.026 25 K HA -0.125 4.195 4.320 0.000 0.000 0.208 25 K C 2.640 179.218 176.600 -0.037 0.000 1.048 25 K CA 1.321 57.562 56.287 -0.077 0.000 0.929 25 K CB -0.137 32.350 32.500 -0.023 0.000 0.713 25 K HN 0.182 nan 8.250 nan 0.000 0.439 26 Q N 0.741 120.596 119.800 0.091 0.000 2.002 26 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 26 Q C 2.359 178.420 176.000 0.102 0.000 0.988 26 Q CA 1.541 57.407 55.803 0.106 0.000 0.843 26 Q CB -0.460 28.345 28.738 0.112 0.000 0.908 26 Q HN 0.393 nan 8.270 nan 0.000 0.420 27 L N 0.391 121.688 121.223 0.123 0.000 2.129 27 L HA -0.241 4.099 4.340 0.000 0.000 0.212 27 L C 2.479 179.465 176.870 0.193 0.000 1.087 27 L CA 1.126 56.088 54.840 0.203 0.000 0.757 27 L CB -0.600 41.551 42.059 0.154 0.000 0.896 27 L HN 0.185 nan 8.230 nan 0.000 0.434 28 A N -0.053 122.809 122.820 0.071 0.000 1.855 28 A HA -0.208 4.112 4.320 0.000 0.000 0.215 28 A C 2.104 179.736 177.584 0.081 0.000 1.191 28 A CA 1.524 53.584 52.037 0.038 0.000 0.613 28 A CB -0.457 18.477 19.000 -0.110 0.000 0.829 28 A HN 0.459 nan 8.150 nan 0.000 0.442 29 E N -0.284 119.968 120.200 0.087 0.000 2.267 29 E HA -0.170 4.180 4.350 0.000 0.000 0.197 29 E C 1.549 178.203 176.600 0.089 0.000 0.998 29 E CA 0.802 57.284 56.400 0.137 0.000 0.830 29 E CB -0.171 29.623 29.700 0.156 0.000 0.751 29 E HN 0.506 nan 8.360 nan 0.000 0.491 30 R N -0.378 120.164 120.500 0.070 0.000 2.335 30 R HA 0.088 4.428 4.340 0.000 0.000 0.223 30 R C 1.009 177.237 176.300 -0.120 0.000 0.940 30 R CA 0.485 56.589 56.100 0.007 0.000 1.086 30 R CB 0.555 30.888 30.300 0.054 0.000 1.073 30 R HN 0.255 nan 8.270 nan 0.000 0.504 31 G N 0.572 109.339 108.800 -0.056 0.000 2.195 31 G HA2 -0.239 3.721 3.960 0.000 0.000 0.246 31 G HA3 -0.239 3.721 3.960 0.000 0.000 0.246 31 G C 0.099 174.952 174.900 -0.078 0.000 0.984 31 G CA -0.257 44.799 45.100 -0.074 0.000 0.633 31 G HN 0.380 nan 8.290 nan 0.000 0.525 32 H N 0.745 119.857 119.070 0.069 0.000 2.679 32 H HA 0.437 4.993 4.556 0.000 0.000 0.369 32 H C 0.384 175.737 175.328 0.043 0.000 1.178 32 H CA 0.464 56.541 56.048 0.050 0.000 1.419 32 H CB 1.058 30.838 29.762 0.030 0.000 1.458 32 H HN 0.480 nan 8.280 nan 0.000 0.605 33 E N 2.193 122.508 120.200 0.191 0.000 2.055 33 E HA 0.241 4.591 4.350 0.000 0.000 0.274 33 E C -0.867 175.793 176.600 0.100 0.000 0.949 33 E CA -0.739 55.754 56.400 0.154 0.000 0.775 33 E CB 0.129 29.946 29.700 0.194 0.000 1.097 33 E HN 0.261 nan 8.360 nan 0.000 0.404 34 I N 4.105 124.662 120.570 -0.021 0.000 2.396 34 I HA 0.152 4.323 4.170 0.000 0.000 0.292 34 I C -0.094 175.849 176.117 -0.290 0.000 0.999 34 I CA -0.322 60.864 61.300 -0.189 0.000 1.310 34 I CB 1.133 38.931 38.000 -0.337 0.000 1.404 34 I HN 0.526 nan 8.210 nan 0.000 0.496 35 H N 6.686 125.607 119.070 -0.248 0.000 2.866 35 H HA 0.280 4.836 4.556 0.000 0.000 0.287 35 H C -1.017 174.191 175.328 -0.199 0.000 1.106 35 H CA -0.524 55.474 56.048 -0.083 0.000 1.396 35 H CB 0.700 30.432 29.762 -0.050 0.000 1.469 35 H HN 0.294 nan 8.280 nan 0.000 0.500 36 F N 3.240 123.133 119.950 -0.094 0.000 2.506 36 F HA 0.149 4.676 4.527 0.000 0.000 0.371 36 F C 0.929 176.773 175.800 0.073 0.000 1.078 36 F CA -0.022 57.912 58.000 -0.109 0.000 1.195 36 F CB 0.439 39.241 39.000 -0.330 0.000 1.099 36 F HN 0.363 nan 8.300 nan 0.000 0.548 37 I N 3.809 124.497 120.570 0.197 0.000 2.428 37 I HA 0.295 4.465 4.170 0.000 0.000 0.279 37 I C -0.160 176.036 176.117 0.131 0.000 1.040 37 I CA -0.137 61.255 61.300 0.154 0.000 1.171 37 I CB 1.118 39.127 38.000 0.014 0.000 1.312 37 I HN 0.521 nan 8.210 nan 0.000 0.470 38 T N 2.969 117.642 114.554 0.199 0.000 3.159 38 T HA 0.220 4.570 4.350 0.000 0.000 0.343 38 T C -0.608 174.226 174.700 0.224 0.000 1.364 38 T CA -0.641 61.571 62.100 0.187 0.000 1.102 38 T CB 1.282 70.237 68.868 0.145 0.000 1.263 38 T HN 0.426 nan 8.240 nan 0.000 0.477 39 S N 2.921 118.785 115.700 0.273 0.000 2.411 39 S HA 0.722 5.192 4.470 0.000 0.000 0.304 39 S C 0.818 175.508 174.600 0.150 0.000 1.098 39 S CA 0.231 58.567 58.200 0.227 0.000 1.068 39 S CB 0.287 63.668 63.200 0.302 0.000 1.032 39 S HN 1.467 nan 8.310 nan 0.000 0.511 40 G N 1.878 110.739 108.800 0.103 0.000 2.512 40 G HA2 0.364 4.324 3.960 0.000 0.000 0.181 40 G HA3 0.364 4.324 3.960 0.000 0.000 0.181 40 G C -1.756 173.149 174.900 0.007 0.000 1.173 40 G CA -0.896 44.232 45.100 0.047 0.000 0.988 40 G HN 0.700 nan 8.290 nan 0.000 0.485 41 L N 2.073 123.279 121.223 -0.028 0.000 2.492 41 L HA 0.342 4.682 4.340 0.000 0.000 0.259 41 L C -2.305 174.496 176.870 -0.116 0.000 1.229 41 L CA -1.073 53.713 54.840 -0.091 0.000 0.903 41 L CB 1.568 43.570 42.059 -0.096 0.000 1.114 41 L HN 0.307 nan 8.230 nan 0.000 0.494 48 V N 2.348 122.184 119.914 -0.131 0.000 2.612 48 V HA 0.546 4.666 4.120 0.000 0.000 0.301 48 V C -2.033 173.974 176.094 -0.145 0.000 1.059 48 V CA -0.402 61.880 62.300 -0.030 0.000 0.886 48 V CB 1.218 33.022 31.823 -0.031 0.000 1.007 48 V HN 0.659 nan 8.190 nan 0.000 0.426 49 Y N 6.694 127.005 120.300 0.019 0.000 2.330 49 Y HA 0.513 5.063 4.550 0.000 0.000 0.336 49 Y C -1.573 174.281 175.900 -0.076 0.000 1.036 49 Y CA -2.042 56.055 58.100 -0.004 0.000 1.125 49 Y CB 1.916 40.392 38.460 0.026 0.000 1.194 49 Y HN 0.486 nan 8.280 nan 0.000 0.469 50 P HA -0.100 nan 4.420 nan 0.000 0.226 50 P C 0.217 177.456 177.300 -0.101 0.000 1.153 50 P CA 1.111 64.186 63.100 -0.042 0.000 0.777 50 P CB 0.286 31.993 31.700 0.011 0.000 0.794 51 N N -0.562 118.132 118.700 -0.010 0.000 2.275 51 N HA 0.099 4.839 4.740 0.000 0.000 0.236 51 N C -0.312 175.174 175.510 -0.041 0.000 1.154 51 N CA -0.060 53.016 53.050 0.044 0.000 0.866 51 N CB 0.124 38.682 38.487 0.119 0.000 1.093 51 N HN 0.153 nan 8.380 nan 0.000 0.515 52 I N 1.262 121.697 120.570 -0.226 0.000 2.439 52 I HA 0.318 4.488 4.170 0.000 0.000 0.283 52 I C -1.120 174.738 176.117 -0.433 0.000 1.023 52 I CA -0.818 60.346 61.300 -0.228 0.000 1.100 52 I CB 0.976 38.932 38.000 -0.074 0.000 1.238 52 I HN -0.123 nan 8.210 nan 0.000 0.445 53 Y N 5.205 125.284 120.300 -0.368 0.000 2.420 53 Y HA 0.540 5.090 4.550 0.000 0.000 0.334 53 Y C -0.517 175.170 175.900 -0.356 0.000 1.094 53 Y CA -0.664 57.270 58.100 -0.277 0.000 1.126 53 Y CB 1.768 40.017 38.460 -0.353 0.000 1.217 53 Y HN 0.301 nan 8.280 nan 0.000 0.462 54 F N 2.366 122.325 119.950 0.015 0.000 2.427 54 F HA 0.377 4.904 4.527 0.000 0.000 0.348 54 F C -0.075 175.678 175.800 -0.078 0.000 1.125 54 F CA -0.750 57.292 58.000 0.070 0.000 0.989 54 F CB 0.856 39.879 39.000 0.039 0.000 1.165 54 F HN 0.419 nan 8.300 nan 0.000 0.442 55 H N 2.765 122.008 119.070 0.288 0.000 2.457 55 H HA 0.305 4.861 4.556 0.000 0.000 0.335 55 H C -0.625 174.819 175.328 0.195 0.000 1.115 55 H CA -0.595 55.580 56.048 0.213 0.000 1.219 55 H CB 2.392 32.250 29.762 0.160 0.000 1.471 55 H HN 0.571 nan 8.280 nan 0.000 0.491 56 E N 3.054 123.404 120.200 0.251 0.000 2.238 56 E HA 0.241 4.591 4.350 0.000 0.000 0.267 56 E C -1.167 175.537 176.600 0.174 0.000 0.887 56 E CA -0.900 55.623 56.400 0.204 0.000 0.769 56 E CB 2.232 32.029 29.700 0.161 0.000 1.187 56 E HN 0.251 nan 8.360 nan 0.000 0.416 57 V N 3.632 123.654 119.914 0.181 0.000 2.427 57 V HA 0.171 4.292 4.120 0.000 0.000 0.268 57 V C 0.384 176.574 176.094 0.161 0.000 1.046 57 V CA -0.184 62.211 62.300 0.158 0.000 0.970 57 V CB 0.396 32.322 31.823 0.172 0.000 1.001 57 V HN 0.729 nan 8.190 nan 0.000 0.476 58 T N 3.101 117.729 114.554 0.124 0.000 2.795 58 T HA 0.761 5.111 4.350 0.000 0.000 0.282 58 T C -0.385 174.382 174.700 0.112 0.000 0.980 58 T CA -0.658 61.509 62.100 0.112 0.000 1.012 58 T CB 1.548 70.471 68.868 0.091 0.000 0.936 58 T HN 0.331 nan 8.240 nan 0.000 0.457 59 V N 2.634 122.619 119.914 0.117 0.000 3.103 59 V HA 0.723 4.843 4.120 0.000 0.000 0.318 59 V C -0.350 175.810 176.094 0.109 0.000 1.114 59 V CA -1.167 61.203 62.300 0.116 0.000 1.020 59 V CB 1.813 33.714 31.823 0.130 0.000 1.085 59 V HN 1.016 nan 8.190 nan 0.000 0.446 66 Q N 1.438 121.381 119.800 0.238 0.000 2.020 66 Q HA -0.018 4.322 4.340 0.000 0.000 0.198 66 Q C -0.575 175.326 176.000 -0.165 0.000 0.974 66 Q CA 1.598 57.391 55.803 -0.016 0.000 0.829 66 Q CB 0.224 28.945 28.738 -0.027 0.000 0.894 66 Q HN 0.540 nan 8.270 nan 0.000 0.433 67 Y N -0.204 120.077 120.300 -0.031 0.000 2.477 67 Y HA 0.293 4.843 4.550 0.000 0.000 0.347 67 Y C -2.029 173.757 175.900 -0.191 0.000 0.981 67 Y CA -3.055 55.003 58.100 -0.070 0.000 1.033 67 Y CB 1.463 39.890 38.460 -0.055 0.000 1.245 67 Y HN 0.031 nan 8.280 nan 0.000 0.455 68 P HA 0.126 nan 4.420 nan 0.000 0.265 68 P C -2.579 174.667 177.300 -0.089 0.000 1.222 68 P CA -1.143 61.927 63.100 -0.050 0.000 0.767 68 P CB 0.452 32.185 31.700 0.056 0.000 0.801 69 P HA -0.015 nan 4.420 nan 0.000 0.238 69 P C 0.677 177.972 177.300 -0.008 0.000 1.679 69 P CA -0.012 62.990 63.100 -0.164 0.000 1.080 69 P CB -0.771 30.764 31.700 -0.275 0.000 1.961 70 Y N 1.979 122.252 120.300 -0.045 0.000 2.181 70 Y HA -0.254 4.296 4.550 0.000 0.000 0.288 70 Y C 1.579 177.497 175.900 0.031 0.000 1.146 70 Y CA 1.777 59.882 58.100 0.008 0.000 1.164 70 Y CB -0.277 38.198 38.460 0.025 0.000 0.982 70 Y HN 0.089 nan 8.280 nan 0.000 0.515 71 D N 0.445 120.797 120.400 -0.081 0.000 2.088 71 D HA -0.196 4.444 4.640 0.000 0.000 0.191 71 D C 2.187 178.391 176.300 -0.161 0.000 0.992 71 D CA 1.612 55.519 54.000 -0.156 0.000 0.831 71 D CB -0.636 40.161 40.800 -0.005 0.000 0.973 71 D HN 0.308 nan 8.370 nan 0.000 0.447 72 L N 1.235 122.410 121.223 -0.080 0.000 2.043 72 L HA -0.157 4.183 4.340 0.000 0.000 0.212 72 L C 2.523 179.352 176.870 -0.069 0.000 1.075 72 L CA 1.454 56.264 54.840 -0.050 0.000 0.752 72 L CB -1.221 40.828 42.059 -0.017 0.000 0.891 72 L HN -0.010 nan 8.230 nan 0.000 0.432 73 A N -0.993 121.774 122.820 -0.088 0.000 1.902 73 A HA -0.213 4.107 4.320 0.000 0.000 0.217 73 A C 2.273 179.786 177.584 -0.119 0.000 1.181 73 A CA 1.859 53.856 52.037 -0.068 0.000 0.623 73 A CB -0.824 18.160 19.000 -0.027 0.000 0.818 73 A HN 0.365 nan 8.150 nan 0.000 0.443 74 L N -0.362 120.702 121.223 -0.264 0.000 2.056 74 L HA 0.005 4.345 4.340 0.000 0.000 0.207 74 L C 2.617 179.405 176.870 -0.136 0.000 1.078 74 L CA 2.099 56.781 54.840 -0.264 0.000 0.749 74 L CB -0.809 40.945 42.059 -0.509 0.000 0.901 74 L HN 0.327 nan 8.230 nan 0.000 0.433 75 A N -1.412 121.340 122.820 -0.112 0.000 1.877 75 A HA -0.237 4.083 4.320 0.000 0.000 0.216 75 A C 2.526 180.076 177.584 -0.058 0.000 1.186 75 A CA 1.988 53.988 52.037 -0.062 0.000 0.620 75 A CB -1.249 17.730 19.000 -0.036 0.000 0.822 75 A HN 0.526 nan 8.150 nan 0.000 0.443 76 S N -0.696 114.974 115.700 -0.050 0.000 2.370 76 S HA -0.218 4.253 4.470 0.000 0.000 0.226 76 S C 2.142 176.718 174.600 -0.041 0.000 1.033 76 S CA 2.158 60.337 58.200 -0.036 0.000 1.011 76 S CB -0.275 62.916 63.200 -0.015 0.000 0.852 76 S HN 0.512 nan 8.310 nan 0.000 0.457 77 K N 0.777 121.153 120.400 -0.041 0.000 2.097 77 K HA 0.135 4.455 4.320 0.000 0.000 0.205 77 K C 2.103 178.658 176.600 -0.076 0.000 1.050 77 K CA 1.375 57.640 56.287 -0.036 0.000 0.938 77 K CB -0.381 32.116 32.500 -0.005 0.000 0.718 77 K HN 0.401 nan 8.250 nan 0.000 0.442 78 M N -0.328 119.222 119.600 -0.082 0.000 2.065 78 M HA -0.189 4.291 4.480 0.000 0.000 0.259 78 M C 2.168 178.398 176.300 -0.118 0.000 1.069 78 M CA 1.991 57.228 55.300 -0.105 0.000 1.110 78 M CB -0.411 32.139 32.600 -0.085 0.000 1.328 78 M HN 0.283 nan 8.290 nan 0.000 0.405 79 A N -0.229 122.535 122.820 -0.094 0.000 1.892 79 A HA -0.254 4.066 4.320 0.000 0.000 0.218 79 A C 2.022 179.547 177.584 -0.099 0.000 1.188 79 A CA 2.140 54.121 52.037 -0.093 0.000 0.631 79 A CB -0.944 18.011 19.000 -0.075 0.000 0.822 79 A HN 0.602 nan 8.150 nan 0.000 0.447 80 E N -0.162 119.986 120.200 -0.086 0.000 2.031 80 E HA -0.147 4.204 4.350 0.000 0.000 0.193 80 E C 2.000 178.525 176.600 -0.126 0.000 0.994 80 E CA 1.754 58.106 56.400 -0.081 0.000 0.800 80 E CB -0.174 29.498 29.700 -0.047 0.000 0.752 80 E HN 0.329 nan 8.360 nan 0.000 0.447 81 V N 1.626 121.431 119.914 -0.182 0.000 2.332 81 V HA -0.286 3.834 4.120 0.000 0.000 0.248 81 V C 2.552 178.465 176.094 -0.302 0.000 1.055 81 V CA 1.765 63.878 62.300 -0.312 0.000 1.038 81 V CB -1.002 30.514 31.823 -0.511 0.000 0.651 81 V HN 0.416 nan 8.190 nan 0.000 0.450 82 A N 0.987 123.664 122.820 -0.238 0.000 1.859 82 A HA -0.331 3.989 4.320 0.000 0.000 0.217 82 A C 2.274 179.747 177.584 -0.186 0.000 1.198 82 A CA 2.388 54.297 52.037 -0.214 0.000 0.629 82 A CB -0.656 18.246 19.000 -0.164 0.000 0.830 82 A HN 0.754 nan 8.150 nan 0.000 0.446 83 Q N -1.369 118.344 119.800 -0.144 0.000 2.378 83 Q HA -0.006 4.334 4.340 0.000 0.000 0.205 83 Q C 2.087 178.018 176.000 -0.114 0.000 0.954 83 Q CA 1.005 56.738 55.803 -0.116 0.000 0.901 83 Q CB -0.179 28.506 28.738 -0.089 0.000 0.981 83 Q HN 0.656 nan 8.270 nan 0.000 0.483 84 R N 0.579 121.001 120.500 -0.129 0.000 2.062 84 R HA -0.044 4.296 4.340 0.000 0.000 0.226 84 R C 1.413 177.628 176.300 -0.141 0.000 1.125 84 R CA 1.306 57.339 56.100 -0.111 0.000 0.966 84 R CB 0.308 30.551 30.300 -0.094 0.000 0.861 84 R HN 0.247 nan 8.270 nan 0.000 0.433 85 E N 0.371 120.437 120.200 -0.223 0.000 2.489 85 E HA -0.019 4.331 4.350 0.000 0.000 0.193 85 E C -0.198 176.260 176.600 -0.236 0.000 1.057 85 E CA -0.047 56.182 56.400 -0.284 0.000 0.866 85 E CB 0.056 29.406 29.700 -0.583 0.000 0.916 85 E HN 0.265 nan 8.360 nan 0.000 0.500 86 N N 1.205 119.790 118.700 -0.192 0.000 2.708 86 N HA -0.179 4.561 4.740 0.000 0.000 0.255 86 N C -0.568 174.844 175.510 -0.163 0.000 1.046 86 N CA 0.345 53.306 53.050 -0.148 0.000 0.715 86 N CB -1.219 37.206 38.487 -0.103 0.000 0.895 86 N HN 0.213 nan 8.380 nan 0.000 0.545 87 L N 0.263 121.362 121.223 -0.207 0.000 2.452 87 L HA 0.093 4.433 4.340 0.000 0.000 0.267 87 L C 1.668 178.440 176.870 -0.163 0.000 1.188 87 L CA -0.174 54.541 54.840 -0.209 0.000 0.821 87 L CB 0.402 42.313 42.059 -0.248 0.000 1.102 87 L HN 0.134 nan 8.230 nan 0.000 0.470 88 D N 1.207 121.506 120.400 -0.168 0.000 2.414 88 D HA 0.199 4.839 4.640 0.000 0.000 0.237 88 D C 0.221 176.410 176.300 -0.186 0.000 0.975 88 D CA 1.089 54.997 54.000 -0.154 0.000 0.917 88 D CB 0.581 41.291 40.800 -0.151 0.000 1.061 88 D HN 0.190 nan 8.370 nan 0.000 0.480 89 I N 0.630 121.041 120.570 -0.264 0.000 2.603 89 I HA 0.252 4.422 4.170 0.000 0.000 0.300 89 I C -0.984 174.969 176.117 -0.272 0.000 1.017 89 I CA -0.810 60.307 61.300 -0.306 0.000 1.098 89 I CB 2.611 40.282 38.000 -0.548 0.000 1.279 89 I HN -0.202 nan 8.210 nan 0.000 0.437 90 L N 5.585 126.689 121.223 -0.199 0.000 2.377 90 L HA 0.409 4.749 4.340 0.000 0.000 0.270 90 L C -1.038 175.798 176.870 -0.056 0.000 0.991 90 L CA -0.109 54.650 54.840 -0.135 0.000 0.851 90 L CB 0.552 42.548 42.059 -0.105 0.000 1.218 90 L HN 0.600 nan 8.230 nan 0.000 0.420 91 H N 4.079 123.043 119.070 -0.176 0.000 2.556 91 H HA 0.626 5.182 4.556 0.000 0.000 0.310 91 H C -1.208 174.101 175.328 -0.032 0.000 1.057 91 H CA -0.737 55.247 56.048 -0.105 0.000 1.264 91 H CB 1.338 31.043 29.762 -0.096 0.000 1.404 91 H HN 0.461 nan 8.280 nan 0.000 0.462 92 V N 5.446 125.469 119.914 0.181 0.000 2.769 92 V HA 0.098 4.218 4.120 0.000 0.000 0.312 92 V C 0.348 176.459 176.094 0.027 0.000 1.058 92 V CA -0.358 61.988 62.300 0.077 0.000 0.952 92 V CB 1.884 33.763 31.823 0.093 0.000 1.019 92 V HN 0.928 nan 8.190 nan 0.000 0.445 93 H N 1.899 120.985 119.070 0.026 0.000 2.788 93 H HA 0.175 4.731 4.556 0.000 0.000 0.262 93 H C -0.452 175.086 175.328 0.350 0.000 0.968 93 H CA 0.276 56.423 56.048 0.164 0.000 1.218 93 H CB 1.263 31.066 29.762 0.068 0.000 1.443 93 H HN 0.574 nan 8.280 nan 0.000 0.478 94 Y N 0.366 120.915 120.300 0.415 0.000 2.596 94 Y HA 0.481 5.031 4.550 0.000 0.000 0.326 94 Y C 1.139 177.136 175.900 0.161 0.000 1.167 94 Y CA -0.091 58.155 58.100 0.243 0.000 1.246 94 Y CB 1.208 39.762 38.460 0.155 0.000 1.347 94 Y HN -0.054 nan 8.280 nan 0.000 0.515 95 A N 1.605 124.345 122.820 -0.133 0.000 1.871 95 A HA 0.174 4.494 4.320 0.000 0.000 0.211 95 A C 0.184 177.777 177.584 0.015 0.000 1.207 95 A CA 0.832 52.838 52.037 -0.052 0.000 0.620 95 A CB -0.294 18.620 19.000 -0.144 0.000 0.860 95 A HN 0.446 nan 8.150 nan 0.000 0.450 96 I N 0.069 120.664 120.570 0.040 0.000 2.385 96 I HA 0.277 4.447 4.170 0.000 0.000 0.294 96 I C -1.930 174.195 176.117 0.014 0.000 0.988 96 I CA -2.168 59.168 61.300 0.060 0.000 1.265 96 I CB 0.962 39.016 38.000 0.090 0.000 1.388 96 I HN 0.051 nan 8.210 nan 0.000 0.480 97 P HA 0.002 nan 4.420 nan 0.000 0.230 97 P C 1.213 178.530 177.300 0.028 0.000 1.168 97 P CA 0.799 63.888 63.100 -0.019 0.000 0.793 97 P CB 0.068 31.796 31.700 0.046 0.000 0.851 98 H N 1.077 120.199 119.070 0.088 0.000 2.375 98 H HA -0.225 4.331 4.556 0.000 0.000 0.289 98 H C 1.919 177.275 175.328 0.047 0.000 1.121 98 H CA 1.826 57.900 56.048 0.043 0.000 1.207 98 H CB -1.494 28.286 29.762 0.031 0.000 1.355 98 H HN 0.137 nan 8.280 nan 0.000 0.486 99 A N 0.641 123.564 122.820 0.172 0.000 1.858 99 A HA -0.125 4.195 4.320 0.000 0.000 0.216 99 A C 2.727 180.383 177.584 0.121 0.000 1.190 99 A CA 1.804 53.903 52.037 0.105 0.000 0.617 99 A CB -0.805 18.225 19.000 0.049 0.000 0.827 99 A HN 0.266 nan 8.150 nan 0.000 0.443 100 I N -0.471 120.178 120.570 0.131 0.000 2.315 100 I HA -0.262 3.908 4.170 0.000 0.000 0.248 100 I C 2.478 178.718 176.117 0.205 0.000 1.117 100 I CA 1.002 62.418 61.300 0.194 0.000 1.404 100 I CB -0.377 37.723 38.000 0.168 0.000 1.071 100 I HN 0.401 nan 8.210 nan 0.000 0.419 101 C N 0.241 119.623 119.300 0.136 0.000 2.429 101 C HA -0.144 4.316 4.460 0.000 0.000 0.277 101 C C 3.108 178.142 174.990 0.073 0.000 1.262 101 C CA 0.897 59.967 59.018 0.087 0.000 1.733 101 C CB -1.398 26.375 27.740 0.055 0.000 2.010 101 C HN 0.594 nan 8.230 nan 0.000 0.483 102 A N -0.919 121.954 122.820 0.088 0.000 1.969 102 A HA -0.186 4.134 4.320 0.000 0.000 0.218 102 A C 1.937 179.565 177.584 0.073 0.000 1.169 102 A CA 1.590 53.657 52.037 0.050 0.000 0.635 102 A CB -0.839 18.189 19.000 0.047 0.000 0.810 102 A HN 0.687 nan 8.150 nan 0.000 0.445 103 Y N 0.443 120.752 120.300 0.015 0.000 2.114 103 Y HA -0.166 4.385 4.550 0.000 0.000 0.284 103 Y C 1.950 177.873 175.900 0.037 0.000 1.143 103 Y CA 1.781 59.895 58.100 0.024 0.000 1.135 103 Y CB -0.450 38.054 38.460 0.073 0.000 0.980 103 Y HN 0.204 nan 8.280 nan 0.000 0.499 104 L N -0.132 121.068 121.223 -0.037 0.000 2.013 104 L HA -0.306 4.034 4.340 0.000 0.000 0.212 104 L C 2.802 179.578 176.870 -0.156 0.000 1.073 104 L CA 1.436 56.197 54.840 -0.131 0.000 0.753 104 L CB -1.105 40.960 42.059 0.011 0.000 0.890 104 L HN 0.420 nan 8.230 nan 0.000 0.432 105 A N -0.241 122.523 122.820 -0.094 0.000 1.892 105 A HA -0.301 4.019 4.320 0.000 0.000 0.218 105 A C 2.393 179.901 177.584 -0.126 0.000 1.188 105 A CA 2.218 54.198 52.037 -0.095 0.000 0.631 105 A CB -0.571 18.384 19.000 -0.075 0.000 0.822 105 A HN 0.335 nan 8.150 nan 0.000 0.447 106 K N -1.106 119.206 120.400 -0.147 0.000 2.009 106 K HA -0.216 4.104 4.320 0.000 0.000 0.210 106 K C 2.280 178.768 176.600 -0.187 0.000 1.049 106 K CA 1.693 57.889 56.287 -0.152 0.000 0.929 106 K CB -0.209 32.206 32.500 -0.141 0.000 0.714 106 K HN 0.448 nan 8.250 nan 0.000 0.440 107 Q N 0.080 119.699 119.800 -0.302 0.000 2.135 107 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 107 Q C 2.058 177.963 176.000 -0.159 0.000 0.981 107 Q CA 1.543 57.185 55.803 -0.268 0.000 0.856 107 Q CB -0.246 28.254 28.738 -0.398 0.000 0.902 107 Q HN 0.453 nan 8.270 nan 0.000 0.425 108 M N 0.179 119.693 119.600 -0.143 0.000 2.229 108 M HA -0.058 4.422 4.480 0.000 0.000 0.264 108 M C 1.671 177.923 176.300 -0.081 0.000 1.063 108 M CA 0.990 56.233 55.300 -0.094 0.000 1.114 108 M CB -0.057 32.495 32.600 -0.080 0.000 1.387 108 M HN 0.175 nan 8.290 nan 0.000 0.420 109 I N -3.130 117.386 120.570 -0.090 0.000 3.874 109 I HA 0.442 4.612 4.170 0.000 0.000 0.331 109 I C 0.757 176.832 176.117 -0.071 0.000 1.489 109 I CA -0.057 61.197 61.300 -0.077 0.000 1.187 109 I CB -0.773 37.177 38.000 -0.084 0.000 1.150 109 I HN 0.371 nan 8.210 nan 0.000 0.412 110 G N 1.774 110.531 108.800 -0.070 0.000 2.179 110 G HA2 -0.322 3.639 3.960 0.000 0.000 0.257 110 G HA3 -0.322 3.639 3.960 0.000 0.000 0.257 110 G C 0.250 175.115 174.900 -0.059 0.000 1.010 110 G CA 0.482 45.546 45.100 -0.059 0.000 0.736 110 G HN 0.756 nan 8.290 nan 0.000 0.513 111 E N -2.294 117.861 120.200 -0.075 0.000 2.971 111 E HA -0.256 4.094 4.350 0.000 0.000 0.278 111 E C 1.016 177.582 176.600 -0.058 0.000 1.009 111 E CA 0.972 57.332 56.400 -0.067 0.000 0.862 111 E CB -0.821 28.849 29.700 -0.049 0.000 1.436 111 E HN 0.792 nan 8.360 nan 0.000 0.434 112 R N 0.759 121.221 120.500 -0.063 0.000 4.263 112 R HA 0.311 4.651 4.340 0.000 0.000 0.248 112 R C 0.189 176.446 176.300 -0.071 0.000 1.796 112 R CA 0.187 56.251 56.100 -0.060 0.000 1.518 112 R CB 0.196 30.462 30.300 -0.058 0.000 1.342 112 R HN 0.069 nan 8.270 nan 0.000 0.706 113 I N 0.427 120.954 120.570 -0.072 0.000 2.882 113 I HA 0.211 4.381 4.170 0.000 0.000 0.298 113 I C -1.491 174.580 176.117 -0.077 0.000 1.462 113 I CA -0.825 60.423 61.300 -0.086 0.000 1.000 113 I CB 2.542 40.481 38.000 -0.101 0.000 1.340 113 I HN 0.021 nan 8.210 nan 0.000 0.462 114 K N 6.380 126.727 120.400 -0.089 0.000 2.235 114 K HA 0.583 4.903 4.320 0.000 0.000 0.266 114 K C -0.753 175.797 176.600 -0.084 0.000 0.980 114 K CA -0.522 55.719 56.287 -0.077 0.000 0.849 114 K CB 1.733 34.188 32.500 -0.075 0.000 1.098 114 K HN 0.453 nan 8.250 nan 0.000 0.445 115 I N 2.697 123.232 120.570 -0.059 0.000 2.331 115 I HA 0.206 4.376 4.170 0.000 0.000 0.292 115 I C -0.193 175.893 176.117 -0.051 0.000 0.998 115 I CA -0.984 60.288 61.300 -0.048 0.000 1.267 115 I CB 1.411 39.401 38.000 -0.017 0.000 1.386 115 I HN 0.017 nan 8.210 nan 0.000 0.476 116 V N 5.332 125.212 119.914 -0.057 0.000 2.378 116 V HA 0.342 4.462 4.120 0.000 0.000 0.288 116 V C -0.029 176.065 176.094 0.000 0.000 1.016 116 V CA -0.424 61.821 62.300 -0.092 0.000 0.840 116 V CB 1.680 33.352 31.823 -0.251 0.000 0.994 116 V HN 0.721 nan 8.190 nan 0.000 0.431 117 T N 3.377 117.926 114.554 -0.009 0.000 2.771 117 T HA 0.428 4.778 4.350 0.000 0.000 0.281 117 T C 0.070 174.771 174.700 0.001 0.000 0.982 117 T CA -0.268 61.845 62.100 0.022 0.000 0.978 117 T CB 1.286 70.146 68.868 -0.013 0.000 0.930 117 T HN 0.622 nan 8.240 nan 0.000 0.447 118 T N 4.542 119.085 114.554 -0.018 0.000 2.771 118 T HA 0.531 4.881 4.350 0.000 0.000 0.281 118 T C 0.205 174.863 174.700 -0.069 0.000 0.982 118 T CA -0.571 61.489 62.100 -0.066 0.000 0.978 118 T CB 0.429 69.205 68.868 -0.154 0.000 0.930 118 T HN 0.319 nan 8.240 nan 0.000 0.447 119 L N 3.477 124.608 121.223 -0.153 0.000 2.431 119 L HA 0.635 4.975 4.340 0.000 0.000 0.260 119 L C 0.622 177.349 176.870 -0.238 0.000 1.098 119 L CA -0.924 53.832 54.840 -0.140 0.000 0.800 119 L CB 0.794 42.755 42.059 -0.163 0.000 1.210 119 L HN 0.623 nan 8.230 nan 0.000 0.465 120 H N -0.844 118.175 119.070 -0.086 0.000 3.110 120 H HA 0.138 4.694 4.556 0.000 0.000 0.277 120 H C 0.574 175.909 175.328 0.013 0.000 1.571 120 H CA -0.028 56.031 56.048 0.018 0.000 1.206 120 H CB 1.169 31.028 29.762 0.162 0.000 1.852 120 H HN 0.634 nan 8.280 nan 0.000 0.629 121 G N -0.270 108.699 108.800 0.281 0.000 2.511 121 G HA2 -0.267 3.693 3.960 0.000 0.000 0.216 121 G HA3 -0.267 3.693 3.960 0.000 0.000 0.216 121 G C 1.333 176.314 174.900 0.135 0.000 1.218 121 G CA 2.197 47.405 45.100 0.181 0.000 0.788 121 G HN 0.601 nan 8.290 nan 0.000 0.560 122 T N 0.936 115.625 114.554 0.225 0.000 2.896 122 T HA -0.068 4.282 4.350 0.000 0.000 0.263 122 T C 1.973 176.780 174.700 0.178 0.000 1.050 122 T CA 1.543 63.779 62.100 0.227 0.000 1.140 122 T CB -0.385 68.662 68.868 0.298 0.000 0.877 122 T HN 0.466 nan 8.240 nan 0.000 0.457 123 D N 1.643 122.040 120.400 -0.005 0.000 2.190 123 D HA -0.124 4.516 4.640 0.000 0.000 0.200 123 D C 1.705 177.914 176.300 -0.152 0.000 0.992 123 D CA 0.973 54.754 54.000 -0.366 0.000 0.854 123 D CB -0.432 39.591 40.800 -1.296 0.000 0.936 123 D HN 0.402 nan 8.370 nan 0.000 0.462 124 I N 0.169 120.671 120.570 -0.114 0.000 2.899 124 I HA -0.074 4.096 4.170 0.000 0.000 0.257 124 I C 2.402 178.511 176.117 -0.014 0.000 1.115 124 I CA 0.740 62.000 61.300 -0.067 0.000 1.451 124 I CB -0.597 37.355 38.000 -0.081 0.000 1.251 124 I HN -0.085 nan 8.210 nan 0.000 0.456 125 T N 0.152 114.713 114.554 0.011 0.000 2.544 125 T HA -0.255 4.095 4.350 0.000 0.000 0.264 125 T C 1.885 176.609 174.700 0.040 0.000 1.096 125 T CA 2.450 64.570 62.100 0.035 0.000 1.181 125 T CB -0.575 68.329 68.868 0.059 0.000 0.864 125 T HN 0.228 nan 8.240 nan 0.000 0.415 126 V N 0.188 120.137 119.914 0.058 0.000 2.575 126 V HA 0.176 4.296 4.120 0.000 0.000 0.242 126 V C 2.236 178.361 176.094 0.052 0.000 1.045 126 V CA 0.851 63.186 62.300 0.057 0.000 1.065 126 V CB -0.432 31.433 31.823 0.070 0.000 0.717 126 V HN 0.477 nan 8.190 nan 0.000 0.467 127 L N 0.879 122.141 121.223 0.064 0.000 1.994 127 L HA -0.010 4.330 4.340 0.000 0.000 0.208 127 L C 2.713 179.600 176.870 0.028 0.000 1.071 127 L CA 1.893 56.765 54.840 0.055 0.000 0.745 127 L CB -1.289 40.816 42.059 0.075 0.000 0.892 127 L HN 0.490 nan 8.230 nan 0.000 0.431 128 G N -0.523 108.283 108.800 0.010 0.000 2.499 128 G HA2 -0.330 3.630 3.960 0.000 0.000 0.221 128 G HA3 -0.330 3.630 3.960 0.000 0.000 0.221 128 G C 1.781 176.686 174.900 0.009 0.000 1.109 128 G CA 1.167 46.267 45.100 -0.000 0.000 0.749 128 G HN 0.521 nan 8.290 nan 0.000 0.568 129 S N 0.019 115.729 115.700 0.016 0.000 2.387 129 S HA -0.082 4.388 4.470 0.000 0.000 0.226 129 S C 1.044 175.655 174.600 0.018 0.000 1.026 129 S CA 0.782 58.993 58.200 0.018 0.000 0.972 129 S CB -0.168 63.045 63.200 0.023 0.000 0.814 129 S HN 0.237 nan 8.310 nan 0.000 0.477 130 D N 3.728 124.140 120.400 0.020 0.000 2.363 130 D HA 0.178 4.818 4.640 0.000 0.000 0.263 130 D C -1.130 175.180 176.300 0.016 0.000 1.258 130 D CA -2.090 51.922 54.000 0.019 0.000 0.907 130 D CB 1.473 42.285 40.800 0.021 0.000 1.107 130 D HN 0.174 nan 8.370 nan 0.000 0.495 131 P HA -0.173 nan 4.420 nan 0.000 0.221 131 P C 1.103 178.410 177.300 0.011 0.000 1.145 131 P CA 0.798 63.905 63.100 0.012 0.000 0.795 131 P CB 0.111 31.818 31.700 0.011 0.000 0.775 132 S N -1.026 114.682 115.700 0.012 0.000 2.555 132 S HA 0.011 4.481 4.470 0.000 0.000 0.230 132 S C 1.510 176.117 174.600 0.011 0.000 0.978 132 S CA 0.422 58.629 58.200 0.011 0.000 0.934 132 S CB -0.929 62.279 63.200 0.013 0.000 0.766 132 S HN 0.166 nan 8.310 nan 0.000 0.533 133 L N -0.248 120.983 121.223 0.014 0.000 3.360 133 L HA 0.373 4.713 4.340 0.000 0.000 0.303 133 L C 1.668 178.548 176.870 0.016 0.000 1.218 133 L CA -0.093 54.757 54.840 0.017 0.000 1.059 133 L CB -0.300 41.772 42.059 0.022 0.000 1.468 133 L HN 0.169 nan 8.230 nan 0.000 0.614 134 N N 2.175 120.882 118.700 0.013 0.000 2.006 134 N HA -0.222 4.518 4.740 0.000 0.000 0.196 134 N C 1.767 177.287 175.510 0.016 0.000 1.057 134 N CA 2.394 55.451 53.050 0.011 0.000 0.853 134 N CB -0.004 38.489 38.487 0.010 0.000 1.051 134 N HN 0.411 nan 8.380 nan 0.000 0.423 135 N N 0.610 119.320 118.700 0.017 0.000 2.258 135 N HA -0.187 4.553 4.740 0.000 0.000 0.187 135 N C 1.656 177.198 175.510 0.054 0.000 1.012 135 N CA 0.959 54.026 53.050 0.028 0.000 0.870 135 N CB -0.757 37.735 38.487 0.008 0.000 0.977 135 N HN 0.327 nan 8.380 nan 0.000 0.434 136 L N 0.739 121.986 121.223 0.039 0.000 2.072 136 L HA 0.162 4.502 4.340 0.000 0.000 0.205 136 L C 2.309 179.227 176.870 0.080 0.000 1.079 136 L CA 1.043 55.920 54.840 0.061 0.000 0.752 136 L CB -0.531 41.548 42.059 0.035 0.000 0.906 136 L HN 0.120 nan 8.230 nan 0.000 0.436 137 I N -1.024 119.568 120.570 0.037 0.000 2.252 137 I HA -0.278 3.892 4.170 0.000 0.000 0.245 137 I C 2.684 178.797 176.117 -0.008 0.000 1.102 137 I CA 1.077 62.381 61.300 0.006 0.000 1.385 137 I CB -0.382 37.607 38.000 -0.018 0.000 1.064 137 I HN 0.289 nan 8.210 nan 0.000 0.414 138 R N 1.048 121.553 120.500 0.009 0.000 2.082 138 R HA -0.246 4.094 4.340 0.000 0.000 0.234 138 R C 2.509 178.797 176.300 -0.019 0.000 1.136 138 R CA 2.030 58.126 56.100 -0.007 0.000 0.935 138 R CB -0.575 29.735 30.300 0.018 0.000 0.842 138 R HN 0.227 nan 8.270 nan 0.000 0.430 139 F N 0.877 120.770 119.950 -0.094 0.000 2.120 139 F HA -0.163 4.364 4.527 0.000 0.000 0.300 139 F C 2.051 177.748 175.800 -0.172 0.000 1.095 139 F CA 2.107 60.021 58.000 -0.143 0.000 1.249 139 F CB -0.684 38.219 39.000 -0.161 0.000 0.995 139 F HN 0.196 nan 8.300 nan 0.000 0.480 140 G N 0.506 109.229 108.800 -0.129 0.000 2.418 140 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 140 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 140 G C 1.745 176.525 174.900 -0.201 0.000 1.158 140 G CA 1.234 46.234 45.100 -0.167 0.000 0.771 140 G HN 0.480 nan 8.290 nan 0.000 0.545 141 I N 0.557 121.032 120.570 -0.159 0.000 2.163 141 I HA -0.133 4.037 4.170 0.000 0.000 0.240 141 I C 2.778 178.788 176.117 -0.179 0.000 1.081 141 I CA 1.295 62.508 61.300 -0.145 0.000 1.353 141 I CB -0.312 37.611 38.000 -0.129 0.000 1.054 141 I HN 0.257 nan 8.210 nan 0.000 0.407 142 E N 0.343 120.414 120.200 -0.216 0.000 2.160 142 E HA -0.250 4.100 4.350 0.000 0.000 0.195 142 E C 2.011 178.444 176.600 -0.278 0.000 0.991 142 E CA 0.860 57.130 56.400 -0.217 0.000 0.810 142 E CB -0.086 29.491 29.700 -0.206 0.000 0.742 142 E HN 0.476 nan 8.360 nan 0.000 0.466 143 Q N 0.376 119.913 119.800 -0.439 0.000 2.389 143 Q HA 0.086 4.426 4.340 0.000 0.000 0.204 143 Q C 0.649 176.549 176.000 -0.167 0.000 0.944 143 Q CA 0.289 55.851 55.803 -0.402 0.000 0.908 143 Q CB 0.343 28.621 28.738 -0.767 0.000 1.002 143 Q HN 0.062 nan 8.270 nan 0.000 0.493 144 S N 1.602 117.215 115.700 -0.143 0.000 2.585 144 S HA 0.062 4.532 4.470 0.000 0.000 0.273 144 S C 0.734 175.294 174.600 -0.066 0.000 1.339 144 S CA -0.443 57.714 58.200 -0.073 0.000 1.028 144 S CB 0.868 64.027 63.200 -0.069 0.000 0.906 144 S HN 0.167 nan 8.310 nan 0.000 0.528 145 D N 0.288 120.659 120.400 -0.048 0.000 2.162 145 D HA 0.044 4.685 4.640 0.000 0.000 0.203 145 D C 0.268 176.538 176.300 -0.050 0.000 0.967 145 D CA 1.113 55.086 54.000 -0.045 0.000 0.840 145 D CB 0.191 40.968 40.800 -0.038 0.000 0.972 145 D HN 0.222 nan 8.370 nan 0.000 0.482 146 V N 0.821 120.702 119.914 -0.056 0.000 2.841 146 V HA 0.413 4.533 4.120 0.000 0.000 0.310 146 V C -0.277 175.774 176.094 -0.071 0.000 1.090 146 V CA -0.829 61.434 62.300 -0.062 0.000 0.930 146 V CB 3.012 34.798 31.823 -0.062 0.000 1.014 146 V HN -0.263 nan 8.190 nan 0.000 0.425 147 V N 2.596 122.464 119.914 -0.078 0.000 2.709 147 V HA 0.838 4.958 4.120 0.000 0.000 0.308 147 V C -0.080 175.954 176.094 -0.099 0.000 1.062 147 V CA -0.276 61.974 62.300 -0.084 0.000 0.901 147 V CB 2.351 34.117 31.823 -0.095 0.000 1.003 147 V HN 1.099 nan 8.190 nan 0.000 0.425 148 T N 1.320 115.814 114.554 -0.099 0.000 2.883 148 T HA 0.952 5.303 4.350 0.000 0.000 0.296 148 T C -0.576 174.019 174.700 -0.175 0.000 1.117 148 T CA -0.200 61.816 62.100 -0.139 0.000 1.006 148 T CB 2.286 71.088 68.868 -0.111 0.000 1.191 148 T HN 1.313 nan 8.240 nan 0.000 0.508 149 A N 0.736 123.407 122.820 -0.248 0.000 2.485 149 A HA 0.766 5.086 4.320 0.000 0.000 0.292 149 A C 1.072 178.426 177.584 -0.383 0.000 1.147 149 A CA -0.272 51.590 52.037 -0.290 0.000 0.750 149 A CB 1.288 20.134 19.000 -0.257 0.000 1.331 149 A HN 1.696 nan 8.150 nan 0.000 0.419 150 V N -1.502 118.164 119.914 -0.415 0.000 3.406 150 V HA 0.359 4.479 4.120 0.000 0.000 0.263 150 V C 0.581 176.300 176.094 -0.625 0.000 1.172 150 V CA 1.184 63.164 62.300 -0.534 0.000 1.140 150 V CB -1.115 30.393 31.823 -0.526 0.000 0.784 150 V HN 1.525 nan 8.190 nan 0.000 0.467 151 S N -2.161 113.280 115.700 -0.432 0.000 2.547 151 S HA 0.482 4.952 4.470 0.000 0.000 0.270 151 S C 0.039 174.508 174.600 -0.219 0.000 1.150 151 S CA -0.300 57.746 58.200 -0.256 0.000 0.850 151 S CB 1.231 64.434 63.200 0.005 0.000 1.118 151 S HN 0.264 nan 8.310 nan 0.000 0.461 152 H N 1.125 120.176 119.070 -0.032 0.000 2.421 152 H HA 0.035 4.591 4.556 0.000 0.000 0.298 152 H C 2.323 177.662 175.328 0.018 0.000 1.087 152 H CA 1.962 58.002 56.048 -0.013 0.000 1.330 152 H CB 0.022 29.805 29.762 0.035 0.000 1.388 152 H HN 0.603 nan 8.280 nan 0.000 0.526 153 S N -0.034 115.763 115.700 0.161 0.000 2.382 153 S HA -0.138 4.332 4.470 0.000 0.000 0.228 153 S C 2.067 176.704 174.600 0.061 0.000 1.027 153 S CA 0.936 59.205 58.200 0.115 0.000 0.991 153 S CB -0.273 63.000 63.200 0.122 0.000 0.823 153 S HN 0.281 nan 8.310 nan 0.000 0.469 154 L N 1.831 123.064 121.223 0.017 0.000 2.027 154 L HA 0.152 4.492 4.340 0.000 0.000 0.206 154 L C 2.018 178.861 176.870 -0.046 0.000 1.074 154 L CA 1.657 56.481 54.840 -0.027 0.000 0.745 154 L CB -0.688 41.324 42.059 -0.078 0.000 0.898 154 L HN 0.392 nan 8.230 nan 0.000 0.433 155 I N -0.362 120.176 120.570 -0.054 0.000 2.530 155 I HA -0.288 3.882 4.170 0.000 0.000 0.257 155 I C 2.087 178.244 176.117 0.067 0.000 1.179 155 I CA 0.907 62.186 61.300 -0.034 0.000 1.440 155 I CB -0.507 37.487 38.000 -0.009 0.000 1.087 155 I HN 0.444 nan 8.210 nan 0.000 0.440 156 N N 0.419 119.164 118.700 0.076 0.000 2.220 156 N HA -0.110 4.630 4.740 0.000 0.000 0.182 156 N C 1.721 177.276 175.510 0.074 0.000 1.023 156 N CA 0.857 53.969 53.050 0.103 0.000 0.856 156 N CB 0.124 38.663 38.487 0.088 0.000 0.997 156 N HN 0.296 nan 8.380 nan 0.000 0.429 157 E N 0.396 120.618 120.200 0.037 0.000 2.118 157 E HA -0.104 4.246 4.350 0.000 0.000 0.195 157 E C 1.656 178.252 176.600 -0.007 0.000 0.992 157 E CA 1.004 57.416 56.400 0.020 0.000 0.804 157 E CB -0.239 29.470 29.700 0.015 0.000 0.741 157 E HN 0.348 nan 8.360 nan 0.000 0.458 158 T N 0.526 115.047 114.554 -0.056 0.000 2.708 158 T HA -0.123 4.227 4.350 0.000 0.000 0.266 158 T C 1.617 176.233 174.700 -0.140 0.000 1.037 158 T CA 0.999 63.015 62.100 -0.139 0.000 1.146 158 T CB -0.247 68.466 68.868 -0.259 0.000 0.865 158 T HN 0.252 nan 8.240 nan 0.000 0.435 159 H N 0.546 119.606 119.070 -0.017 0.000 2.524 159 H HA 0.098 4.654 4.556 0.000 0.000 0.282 159 H C 2.273 177.597 175.328 -0.006 0.000 1.016 159 H CA 0.862 56.902 56.048 -0.013 0.000 1.270 159 H CB 0.124 29.879 29.762 -0.011 0.000 1.394 159 H HN 0.544 nan 8.280 nan 0.000 0.568 160 E N 0.492 120.751 120.200 0.099 0.000 2.075 160 E HA -0.038 4.312 4.350 0.000 0.000 0.190 160 E C 1.914 178.537 176.600 0.037 0.000 0.969 160 E CA 0.175 56.613 56.400 0.063 0.000 0.815 160 E CB 0.332 30.062 29.700 0.050 0.000 0.776 160 E HN 0.305 nan 8.360 nan 0.000 0.457 161 L N 0.055 121.290 121.223 0.020 0.000 2.145 161 L HA -0.000 4.340 4.340 0.000 0.000 0.201 161 L C 2.409 179.281 176.870 0.003 0.000 1.075 161 L CA 0.341 55.187 54.840 0.010 0.000 0.773 161 L CB -0.139 41.922 42.059 0.004 0.000 0.936 161 L HN 0.025 nan 8.230 nan 0.000 0.451 162 V N -0.964 118.941 119.914 -0.015 0.000 2.535 162 V HA -0.062 4.058 4.120 0.000 0.000 0.246 162 V C 0.809 176.899 176.094 -0.005 0.000 1.045 162 V CA 0.549 62.836 62.300 -0.022 0.000 1.058 162 V CB -0.495 31.294 31.823 -0.057 0.000 0.689 162 V HN 0.465 nan 8.190 nan 0.000 0.461 163 K N -0.223 120.184 120.400 0.011 0.000 3.244 163 K HA -0.141 4.179 4.320 0.000 0.000 0.270 163 K C -2.369 174.265 176.600 0.058 0.000 1.016 163 K CA 0.324 56.651 56.287 0.067 0.000 0.754 163 K CB -1.485 31.046 32.500 0.053 0.000 1.326 163 K HN 0.470 nan 8.250 nan 0.000 0.465 164 P HA 0.045 nan 4.420 nan 0.000 0.277 164 P C -0.792 176.549 177.300 0.068 0.000 1.240 164 P CA -0.203 62.900 63.100 0.005 0.000 0.798 164 P CB 0.610 32.263 31.700 -0.077 0.000 0.979 165 N N 1.589 120.308 118.700 0.031 0.000 3.322 165 N HA 0.189 4.930 4.740 0.000 0.000 0.290 165 N C -0.063 175.458 175.510 0.018 0.000 1.297 165 N CA -0.166 52.905 53.050 0.035 0.000 1.167 165 N CB 0.098 38.592 38.487 0.012 0.000 1.434 165 N HN 0.319 nan 8.380 nan 0.000 0.526 166 K N 0.440 120.868 120.400 0.046 0.000 2.556 166 K HA 0.283 4.604 4.320 0.000 0.000 0.274 166 K C -2.019 174.616 176.600 0.058 0.000 0.966 166 K CA -0.692 55.602 56.287 0.011 0.000 0.865 166 K CB 1.481 33.954 32.500 -0.044 0.000 1.444 166 K HN -0.111 nan 8.250 nan 0.000 0.433 167 D N 2.170 122.583 120.400 0.021 0.000 2.210 167 D HA 0.365 5.005 4.640 0.000 0.000 0.249 167 D C -0.358 175.942 176.300 -0.000 0.000 1.078 167 D CA 0.035 54.056 54.000 0.035 0.000 0.875 167 D CB 0.906 41.706 40.800 0.001 0.000 1.175 167 D HN 0.395 nan 8.370 nan 0.000 0.440 168 I N 2.074 122.655 120.570 0.018 0.000 2.406 168 I HA 0.166 4.336 4.170 0.000 0.000 0.290 168 I C 0.541 176.610 176.117 -0.079 0.000 0.999 168 I CA -0.735 60.531 61.300 -0.057 0.000 1.124 168 I CB 1.521 39.463 38.000 -0.097 0.000 1.289 168 I HN 0.026 nan 8.210 nan 0.000 0.441 169 Q N 3.287 123.013 119.800 -0.124 0.000 2.249 169 Q HA 0.478 4.818 4.340 0.000 0.000 0.226 169 Q C -0.609 175.233 176.000 -0.263 0.000 0.983 169 Q CA -0.552 55.151 55.803 -0.166 0.000 0.930 169 Q CB 1.516 30.150 28.738 -0.173 0.000 1.193 169 Q HN 0.516 nan 8.270 nan 0.000 0.508 170 T N 0.758 115.102 114.554 -0.350 0.000 2.807 170 T HA 0.517 4.867 4.350 0.000 0.000 0.279 170 T C -1.066 173.304 174.700 -0.550 0.000 0.993 170 T CA -0.543 61.223 62.100 -0.556 0.000 0.970 170 T CB 1.033 69.359 68.868 -0.904 0.000 0.950 170 T HN 0.261 nan 8.240 nan 0.000 0.441 171 V N 4.064 123.638 119.914 -0.565 0.000 2.532 171 V HA 0.337 4.457 4.120 0.000 0.000 0.294 171 V C -1.011 174.871 176.094 -0.353 0.000 1.036 171 V CA -1.203 60.812 62.300 -0.476 0.000 0.876 171 V CB 0.731 32.167 31.823 -0.646 0.000 1.012 171 V HN 0.849 nan 8.190 nan 0.000 0.432 172 Y N 2.216 122.478 120.300 -0.063 0.000 2.330 172 Y HA 0.237 4.787 4.550 0.000 0.000 0.341 172 Y C 1.171 177.176 175.900 0.175 0.000 1.278 172 Y CA 0.204 58.292 58.100 -0.019 0.000 1.453 172 Y CB 0.667 39.366 38.460 0.398 0.000 1.342 172 Y HN 0.607 nan 8.280 nan 0.000 0.590 173 N N 0.615 119.537 118.700 0.370 0.000 2.445 173 N HA 0.390 5.130 4.740 0.000 0.000 0.264 173 N C -1.158 174.663 175.510 0.517 0.000 1.227 173 N CA -0.485 52.846 53.050 0.468 0.000 0.963 173 N CB 0.631 39.386 38.487 0.448 0.000 1.188 173 N HN 0.472 nan 8.380 nan 0.000 0.491 174 F N -1.453 118.648 119.950 0.252 0.000 2.691 174 F HA 0.773 5.300 4.527 0.000 0.000 0.334 174 F C -1.148 174.696 175.800 0.074 0.000 1.107 174 F CA -1.157 56.947 58.000 0.175 0.000 0.991 174 F CB 1.002 40.121 39.000 0.198 0.000 1.400 174 F HN 0.062 nan 8.300 nan 0.000 0.503 175 I N 0.871 121.554 120.570 0.189 0.000 2.769 175 I HA 0.214 4.384 4.170 0.000 0.000 0.298 175 I C -1.393 174.860 176.117 0.226 0.000 1.128 175 I CA -0.630 60.669 61.300 -0.002 0.000 1.031 175 I CB 1.765 39.636 38.000 -0.215 0.000 1.235 175 I HN 0.666 nan 8.210 nan 0.000 0.423 176 D N 4.202 124.745 120.400 0.237 0.000 2.374 176 D HA 0.147 4.787 4.640 0.000 0.000 0.240 176 D C 1.129 177.657 176.300 0.379 0.000 1.229 176 D CA 0.158 54.356 54.000 0.329 0.000 0.895 176 D CB 0.732 41.718 40.800 0.311 0.000 1.046 176 D HN 0.413 nan 8.370 nan 0.000 0.498 177 E N 2.310 122.711 120.200 0.335 0.000 2.267 177 E HA -0.225 4.125 4.350 0.000 0.000 0.197 177 E C 1.318 178.175 176.600 0.428 0.000 0.998 177 E CA 0.491 57.113 56.400 0.369 0.000 0.830 177 E CB 0.182 30.067 29.700 0.308 0.000 0.751 177 E HN 0.203 nan 8.360 nan 0.000 0.491 178 R N 0.475 121.184 120.500 0.348 0.000 2.357 178 R HA -0.036 4.304 4.340 0.000 0.000 0.202 178 R C 1.278 177.853 176.300 0.458 0.000 1.047 178 R CA 0.462 56.752 56.100 0.317 0.000 1.034 178 R CB 0.160 30.593 30.300 0.222 0.000 0.875 178 R HN 0.041 nan 8.270 nan 0.000 0.473 179 V N -1.843 118.332 119.914 0.436 0.000 3.431 179 V HA 0.203 4.323 4.120 0.000 0.000 0.255 179 V C -0.658 175.237 176.094 -0.331 0.000 1.403 179 V CA -0.086 62.293 62.300 0.133 0.000 1.101 179 V CB 0.247 32.109 31.823 0.065 0.000 0.891 179 V HN -0.051 nan 8.190 nan 0.000 0.446 180 Y N 1.968 122.280 120.300 0.021 0.000 2.464 180 Y HA 0.701 5.251 4.550 0.000 0.000 0.326 180 Y C -0.446 175.501 175.900 0.078 0.000 0.969 180 Y CA -1.676 56.352 58.100 -0.120 0.000 1.270 180 Y CB 0.816 39.268 38.460 -0.014 0.000 1.103 180 Y HN 0.176 nan 8.280 nan 0.000 0.491 181 F N -1.143 118.883 119.950 0.128 0.000 2.640 181 F HA 0.546 5.073 4.527 0.000 0.000 0.324 181 F C 0.659 176.505 175.800 0.078 0.000 1.077 181 F CA -1.943 56.119 58.000 0.103 0.000 0.965 181 F CB 1.252 40.296 39.000 0.074 0.000 1.351 181 F HN 0.016 nan 8.300 nan 0.000 0.487 182 K N 1.507 122.071 120.400 0.274 0.000 2.668 182 K HA 0.012 4.333 4.320 0.000 0.000 0.204 182 K C 0.532 177.225 176.600 0.155 0.000 1.016 182 K CA -0.159 56.224 56.287 0.160 0.000 1.131 182 K CB -0.174 32.404 32.500 0.130 0.000 0.891 182 K HN 0.676 nan 8.250 nan 0.000 0.499 183 R N 1.878 122.510 120.500 0.220 0.000 2.817 183 R HA -0.067 4.273 4.340 0.000 0.000 0.264 183 R C -0.625 175.724 176.300 0.082 0.000 1.009 183 R CA 0.551 56.765 56.100 0.191 0.000 1.133 183 R CB 0.088 30.537 30.300 0.250 0.000 1.013 183 R HN 0.029 nan 8.270 nan 0.000 0.453 184 D N 3.336 123.780 120.400 0.073 0.000 2.593 184 D HA 0.142 4.782 4.640 0.000 0.000 0.251 184 D C 0.021 176.345 176.300 0.041 0.000 1.140 184 D CA -0.791 53.237 54.000 0.047 0.000 0.855 184 D CB 1.353 42.182 40.800 0.049 0.000 1.267 184 D HN 0.371 nan 8.370 nan 0.000 0.532 185 M N 2.523 122.141 119.600 0.030 0.000 3.690 185 M HA 0.095 4.575 4.480 0.000 0.000 0.209 185 M C 1.406 177.733 176.300 0.045 0.000 1.403 185 M CA -0.239 55.082 55.300 0.036 0.000 1.621 185 M CB -0.694 31.926 32.600 0.034 0.000 1.056 185 M HN 0.487 nan 8.290 nan 0.000 0.593 186 T N 0.558 115.137 114.554 0.041 0.000 2.833 186 T HA -0.143 4.207 4.350 0.000 0.000 0.269 186 T C 1.591 176.317 174.700 0.043 0.000 1.054 186 T CA 1.799 63.923 62.100 0.040 0.000 1.135 186 T CB 0.229 69.117 68.868 0.033 0.000 0.869 186 T HN 0.620 nan 8.240 nan 0.000 0.466 187 Q N -0.246 119.579 119.800 0.041 0.000 2.230 187 Q HA 0.045 4.385 4.340 0.000 0.000 0.202 187 Q C 2.141 178.169 176.000 0.046 0.000 0.963 187 Q CA 0.868 56.693 55.803 0.036 0.000 0.866 187 Q CB -0.134 28.621 28.738 0.028 0.000 0.931 187 Q HN 0.378 nan 8.270 nan 0.000 0.452 188 L N 0.953 122.216 121.223 0.068 0.000 2.179 188 L HA -0.094 4.246 4.340 0.000 0.000 0.208 188 L C 1.589 178.573 176.870 0.189 0.000 1.096 188 L CA 1.647 56.555 54.840 0.115 0.000 0.779 188 L CB -0.050 42.096 42.059 0.144 0.000 0.922 188 L HN -0.062 nan 8.230 nan 0.000 0.443 189 K N -0.598 119.888 120.400 0.144 0.000 2.103 189 K HA -0.190 4.130 4.320 0.000 0.000 0.207 189 K C 2.137 178.818 176.600 0.134 0.000 1.048 189 K CA 1.162 57.535 56.287 0.143 0.000 0.930 189 K CB -0.222 32.324 32.500 0.077 0.000 0.716 189 K HN 0.117 nan 8.250 nan 0.000 0.444 190 K N 1.465 121.916 120.400 0.085 0.000 2.026 190 K HA -0.175 4.145 4.320 0.000 0.000 0.208 190 K C 1.994 178.615 176.600 0.035 0.000 1.048 190 K CA 1.448 57.767 56.287 0.052 0.000 0.929 190 K CB -0.038 32.481 32.500 0.032 0.000 0.713 190 K HN 0.177 nan 8.250 nan 0.000 0.439 191 E N -0.985 119.222 120.200 0.011 0.000 2.333 191 E HA -0.171 4.179 4.350 0.000 0.000 0.198 191 E C 0.942 177.436 176.600 -0.176 0.000 1.007 191 E CA 0.978 57.326 56.400 -0.087 0.000 0.845 191 E CB 0.068 29.689 29.700 -0.131 0.000 0.766 191 E HN 0.279 nan 8.360 nan 0.000 0.507 192 Y N -1.301 119.005 120.300 0.010 0.000 2.458 192 Y HA 0.258 4.808 4.550 0.000 0.000 0.256 192 Y C 1.351 177.262 175.900 0.019 0.000 1.159 192 Y CA 0.492 58.600 58.100 0.014 0.000 1.261 192 Y CB 1.356 39.823 38.460 0.011 0.000 1.119 192 Y HN 0.116 nan 8.280 nan 0.000 0.524 193 G N 1.356 110.231 108.800 0.125 0.000 2.137 193 G HA2 -0.303 3.657 3.960 0.000 0.000 0.237 193 G HA3 -0.303 3.657 3.960 0.000 0.000 0.237 193 G C -0.015 174.938 174.900 0.088 0.000 1.002 193 G CA 0.319 45.472 45.100 0.089 0.000 0.702 193 G HN 0.374 nan 8.290 nan 0.000 0.515 194 I N 0.330 120.959 120.570 0.097 0.000 2.562 194 I HA 0.645 4.815 4.170 0.000 0.000 0.301 194 I C 1.118 177.268 176.117 0.055 0.000 1.003 194 I CA -0.275 61.069 61.300 0.075 0.000 1.127 194 I CB 1.483 39.530 38.000 0.078 0.000 1.304 194 I HN 0.246 nan 8.210 nan 0.000 0.446 200 I N 3.287 123.886 120.570 0.048 0.000 2.389 200 I HA 0.317 4.487 4.170 0.000 0.000 0.288 200 I C -0.795 175.347 176.117 0.042 0.000 0.999 200 I CA -1.121 60.201 61.300 0.036 0.000 1.129 200 I CB 1.242 39.241 38.000 -0.001 0.000 1.288 200 I HN 0.257 nan 8.210 nan 0.000 0.444 201 L N 7.611 128.850 121.223 0.028 0.000 2.298 201 L HA 0.484 4.824 4.340 0.000 0.000 0.284 201 L C -0.377 176.444 176.870 -0.082 0.000 1.013 201 L CA -0.178 54.666 54.840 0.007 0.000 0.824 201 L CB 1.434 43.529 42.059 0.060 0.000 1.221 201 L HN 0.435 nan 8.230 nan 0.000 0.418 202 I N 3.346 123.888 120.570 -0.046 0.000 2.493 202 I HA 0.379 4.549 4.170 0.000 0.000 0.298 202 I C -1.220 174.894 176.117 -0.006 0.000 0.998 202 I CA -0.500 60.764 61.300 -0.060 0.000 1.137 202 I CB 1.653 39.616 38.000 -0.062 0.000 1.310 202 I HN 0.742 nan 8.210 nan 0.000 0.445 203 H N 6.960 125.956 119.070 -0.122 0.000 2.782 203 H HA 0.606 5.162 4.556 0.000 0.000 0.347 203 H C -1.700 173.585 175.328 -0.071 0.000 1.038 203 H CA -0.505 55.476 56.048 -0.111 0.000 1.255 203 H CB 1.392 31.057 29.762 -0.162 0.000 1.623 203 H HN 0.437 nan 8.280 nan 0.000 0.525 204 I N 5.066 125.210 120.570 -0.710 0.000 2.436 204 I HA 0.509 4.679 4.170 0.000 0.000 0.289 204 I C -0.435 175.335 176.117 -0.578 0.000 1.010 204 I CA -0.464 60.539 61.300 -0.495 0.000 1.098 204 I CB 1.552 39.423 38.000 -0.214 0.000 1.266 204 I HN 0.778 nan 8.210 nan 0.000 0.434 205 S N 3.109 118.614 115.700 -0.324 0.000 2.661 205 S HA 0.331 4.801 4.470 0.000 0.000 0.268 205 S C -0.646 174.041 174.600 0.143 0.000 1.162 205 S CA -0.888 57.245 58.200 -0.111 0.000 0.817 205 S CB 1.393 64.532 63.200 -0.100 0.000 1.141 205 S HN 0.645 nan 8.310 nan 0.000 0.477 206 N N -0.248 118.544 118.700 0.153 0.000 2.320 206 N HA 0.262 5.002 4.740 0.000 0.000 0.237 206 N C -0.414 175.310 175.510 0.358 0.000 1.129 206 N CA -0.596 52.586 53.050 0.219 0.000 0.854 206 N CB -0.972 37.578 38.487 0.106 0.000 1.083 206 N HN 0.554 nan 8.380 nan 0.000 0.504 207 F N 0.057 120.072 119.950 0.108 0.000 2.925 207 F HA -0.314 4.213 4.527 0.000 0.000 0.239 207 F C 0.534 176.394 175.800 0.101 0.000 1.009 207 F CA 0.519 58.600 58.000 0.136 0.000 0.847 207 F CB -1.533 37.591 39.000 0.207 0.000 0.719 207 F HN 0.252 nan 8.300 nan 0.000 0.826 208 R N -0.056 120.538 120.500 0.157 0.000 2.674 208 R HA 0.361 4.701 4.340 0.000 0.000 0.266 208 R C 1.449 177.786 176.300 0.061 0.000 1.016 208 R CA -0.959 55.205 56.100 0.106 0.000 1.062 208 R CB 0.952 31.300 30.300 0.080 0.000 1.142 208 R HN 0.161 nan 8.270 nan 0.000 0.517 209 K N 0.322 120.753 120.400 0.052 0.000 2.147 209 K HA -0.106 4.214 4.320 0.000 0.000 0.205 209 K C 1.728 178.338 176.600 0.017 0.000 1.049 209 K CA 1.130 57.435 56.287 0.031 0.000 0.936 209 K CB -0.043 32.477 32.500 0.032 0.000 0.722 209 K HN 0.270 nan 8.250 nan 0.000 0.446 210 V N 1.752 121.682 119.914 0.026 0.000 2.626 210 V HA -0.179 3.941 4.120 0.000 0.000 0.252 210 V C 1.854 177.958 176.094 0.015 0.000 1.067 210 V CA 1.418 63.733 62.300 0.024 0.000 1.081 210 V CB -0.446 31.399 31.823 0.036 0.000 0.686 210 V HN 0.196 nan 8.190 nan 0.000 0.468 211 K N -0.125 120.282 120.400 0.011 0.000 2.365 211 K HA 0.033 4.353 4.320 0.000 0.000 0.199 211 K C 0.652 177.222 176.600 -0.051 0.000 1.045 211 K CA 0.063 56.350 56.287 0.001 0.000 0.962 211 K CB -0.192 32.314 32.500 0.010 0.000 0.759 211 K HN 0.337 nan 8.250 nan 0.000 0.469 212 R N 0.212 120.677 120.500 -0.058 0.000 3.264 212 R HA -0.123 4.217 4.340 0.000 0.000 0.251 212 R C 0.906 177.107 176.300 -0.164 0.000 0.971 212 R CA 0.412 56.462 56.100 -0.083 0.000 0.658 212 R CB -2.991 27.272 30.300 -0.062 0.000 1.095 212 R HN 0.037 nan 8.270 nan 0.000 0.443 213 V N 0.138 119.918 119.914 -0.223 0.000 2.720 213 V HA -0.324 3.797 4.120 0.000 0.000 0.256 213 V C 2.310 178.243 176.094 -0.267 0.000 1.082 213 V CA 2.300 64.373 62.300 -0.379 0.000 1.101 213 V CB -0.225 31.269 31.823 -0.548 0.000 0.693 213 V HN 0.415 nan 8.190 nan 0.000 0.479 214 Q N 0.478 120.188 119.800 -0.151 0.000 2.096 214 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 214 Q C 1.895 177.839 176.000 -0.093 0.000 0.982 214 Q CA 1.965 57.714 55.803 -0.090 0.000 0.850 214 Q CB -0.542 28.168 28.738 -0.047 0.000 0.901 214 Q HN 0.563 nan 8.270 nan 0.000 0.422 215 D N -0.066 120.272 120.400 -0.104 0.000 2.178 215 D HA -0.092 4.548 4.640 0.000 0.000 0.201 215 D C 1.860 178.092 176.300 -0.112 0.000 0.980 215 D CA 0.885 54.833 54.000 -0.088 0.000 0.842 215 D CB -0.058 40.695 40.800 -0.078 0.000 0.948 215 D HN 0.110 nan 8.370 nan 0.000 0.472 216 V N 0.579 120.371 119.914 -0.203 0.000 2.515 216 V HA -0.165 3.955 4.120 0.000 0.000 0.250 216 V C 2.557 178.572 176.094 -0.132 0.000 1.058 216 V CA 0.857 63.012 62.300 -0.242 0.000 1.064 216 V CB -0.269 31.236 31.823 -0.530 0.000 0.675 216 V HN 0.063 nan 8.190 nan 0.000 0.461 217 V N -0.711 119.133 119.914 -0.116 0.000 2.302 217 V HA -0.181 3.939 4.120 0.000 0.000 0.243 217 V C 2.603 178.733 176.094 0.060 0.000 1.036 217 V CA 1.485 63.776 62.300 -0.015 0.000 1.020 217 V CB -0.589 31.217 31.823 -0.029 0.000 0.657 217 V HN 0.460 nan 8.190 nan 0.000 0.453 218 Q N 0.350 120.158 119.800 0.013 0.000 2.062 218 Q HA -0.254 4.087 4.340 0.000 0.000 0.209 218 Q C 2.429 178.441 176.000 0.020 0.000 0.996 218 Q CA 2.297 58.108 55.803 0.015 0.000 0.859 218 Q CB -0.946 27.788 28.738 -0.007 0.000 0.920 218 Q HN 0.638 nan 8.270 nan 0.000 0.415 219 A N 0.068 122.898 122.820 0.016 0.000 1.940 219 A HA -0.174 4.146 4.320 0.000 0.000 0.219 219 A C 1.974 179.591 177.584 0.056 0.000 1.176 219 A CA 1.342 53.390 52.037 0.018 0.000 0.631 219 A CB -0.855 18.149 19.000 0.007 0.000 0.814 219 A HN 0.385 nan 8.150 nan 0.000 0.446 220 F N 0.542 120.456 119.950 -0.060 0.000 2.206 220 F HA 0.049 4.576 4.527 0.000 0.000 0.298 220 F C 2.487 178.268 175.800 -0.032 0.000 1.090 220 F CA 0.988 58.959 58.000 -0.049 0.000 1.323 220 F CB -0.113 38.849 39.000 -0.063 0.000 1.028 220 F HN 0.262 nan 8.300 nan 0.000 0.492 221 A N 0.613 123.435 122.820 0.004 0.000 1.908 221 A HA -0.223 4.097 4.320 0.000 0.000 0.218 221 A C 2.172 179.676 177.584 -0.133 0.000 1.181 221 A CA 2.056 54.055 52.037 -0.063 0.000 0.627 221 A CB -0.553 18.457 19.000 0.017 0.000 0.818 221 A HN 0.477 nan 8.150 nan 0.000 0.445 222 K N -0.687 119.653 120.400 -0.100 0.000 2.005 222 K HA 0.104 4.424 4.320 0.000 0.000 0.206 222 K C 1.888 178.404 176.600 -0.141 0.000 1.044 222 K CA 0.973 57.202 56.287 -0.096 0.000 0.942 222 K CB -0.378 32.087 32.500 -0.058 0.000 0.727 222 K HN 0.357 nan 8.250 nan 0.000 0.439 223 I N 1.954 122.435 120.570 -0.148 0.000 2.502 223 I HA -0.212 3.958 4.170 0.000 0.000 0.258 223 I C 1.913 177.877 176.117 -0.255 0.000 1.172 223 I CA 1.258 62.464 61.300 -0.156 0.000 1.430 223 I CB -0.201 37.751 38.000 -0.080 0.000 1.086 223 I HN -0.015 nan 8.210 nan 0.000 0.440 224 V N 0.941 120.604 119.914 -0.418 0.000 2.649 224 V HA -0.192 3.928 4.120 0.000 0.000 0.248 224 V C 2.620 178.575 176.094 -0.232 0.000 1.054 224 V CA 1.988 64.018 62.300 -0.450 0.000 1.073 224 V CB -0.371 31.036 31.823 -0.692 0.000 0.699 224 V HN 0.682 nan 8.190 nan 0.000 0.463 225 T N -2.378 112.070 114.554 -0.176 0.000 2.833 225 T HA -0.187 4.163 4.350 0.000 0.000 0.269 225 T C 1.443 176.090 174.700 -0.088 0.000 1.054 225 T CA 1.869 63.903 62.100 -0.110 0.000 1.135 225 T CB -0.312 68.505 68.868 -0.085 0.000 0.869 225 T HN 0.646 nan 8.240 nan 0.000 0.466 226 E N -0.068 120.077 120.200 -0.092 0.000 2.498 226 E HA 0.345 4.695 4.350 0.000 0.000 0.203 226 E C -0.538 176.024 176.600 -0.063 0.000 1.013 226 E CA -0.124 56.236 56.400 -0.067 0.000 0.927 226 E CB 1.189 30.854 29.700 -0.058 0.000 1.012 226 E HN 0.319 nan 8.360 nan 0.000 0.482 227 V N 2.380 122.244 119.914 -0.083 0.000 2.891 227 V HA 0.042 4.162 4.120 0.000 0.000 0.304 227 V C -1.099 174.949 176.094 -0.077 0.000 1.171 227 V CA -1.179 61.082 62.300 -0.065 0.000 0.943 227 V CB 2.342 34.135 31.823 -0.051 0.000 1.037 227 V HN 0.137 nan 8.190 nan 0.000 0.427 228 D N 3.764 124.139 120.400 -0.042 0.000 2.339 228 D HA 0.644 5.284 4.640 0.000 0.000 0.241 228 D C -0.337 175.968 176.300 0.008 0.000 1.183 228 D CA -0.010 53.974 54.000 -0.027 0.000 0.859 228 D CB 1.895 42.690 40.800 -0.009 0.000 1.067 228 D HN 0.825 nan 8.370 nan 0.000 0.484 229 A N 1.408 124.250 122.820 0.037 0.000 2.604 229 A HA 0.700 5.020 4.320 0.000 0.000 0.295 229 A C -0.637 177.152 177.584 0.341 0.000 1.067 229 A CA -0.692 51.432 52.037 0.144 0.000 0.683 229 A CB 1.395 20.494 19.000 0.163 0.000 1.281 229 A HN 0.818 nan 8.150 nan 0.000 0.407 230 K N 0.138 120.712 120.400 0.290 0.000 2.156 230 K HA 0.829 5.149 4.320 0.000 0.000 0.250 230 K C -0.994 175.579 176.600 -0.046 0.000 0.955 230 K CA -0.476 55.964 56.287 0.255 0.000 0.855 230 K CB 1.418 33.975 32.500 0.094 0.000 1.101 230 K HN 1.719 nan 8.250 nan 0.000 0.434 231 L N 1.855 122.748 121.223 -0.550 0.000 2.287 231 L HA 0.521 4.861 4.340 0.000 0.000 0.287 231 L C -0.831 175.768 176.870 -0.453 0.000 1.022 231 L CA -0.846 53.493 54.840 -0.836 0.000 0.814 231 L CB 1.006 42.069 42.059 -1.660 0.000 1.217 231 L HN 0.661 nan 8.230 nan 0.000 0.420 232 L N 6.632 127.672 121.223 -0.304 0.000 2.261 232 L HA 0.340 4.680 4.340 0.000 0.000 0.289 232 L C -0.473 176.287 176.870 -0.183 0.000 1.059 232 L CA -0.170 54.534 54.840 -0.226 0.000 0.816 232 L CB 0.667 42.609 42.059 -0.194 0.000 1.191 232 L HN 0.531 nan 8.230 nan 0.000 0.431 233 L N 5.398 126.505 121.223 -0.194 0.000 2.314 233 L HA 0.329 4.669 4.340 0.000 0.000 0.275 233 L C -0.240 176.698 176.870 0.113 0.000 1.068 233 L CA -0.519 54.297 54.840 -0.040 0.000 0.894 233 L CB 1.157 43.106 42.059 -0.182 0.000 1.275 233 L HN 0.307 nan 8.230 nan 0.000 0.432 234 V N 2.664 122.629 119.914 0.086 0.000 2.583 234 V HA 0.792 4.912 4.120 0.000 0.000 0.287 234 V C 0.758 176.971 176.094 0.198 0.000 1.051 234 V CA 0.091 62.438 62.300 0.080 0.000 1.010 234 V CB 1.032 32.848 31.823 -0.013 0.000 0.988 234 V HN 0.968 nan 8.190 nan 0.000 0.478 235 G N 3.792 112.675 108.800 0.137 0.000 2.497 235 G HA2 0.242 4.202 3.960 0.000 0.000 0.686 235 G HA3 0.242 4.202 3.960 0.000 0.000 0.686 235 G C -1.499 173.339 174.900 -0.104 0.000 1.288 235 G CA -0.232 44.956 45.100 0.146 0.000 0.899 235 G HN 0.958 nan 8.290 nan 0.000 0.608 236 D N -0.947 119.387 120.400 -0.110 0.000 2.837 236 D HA 0.797 5.437 4.640 0.000 0.000 0.220 236 D C 0.293 176.561 176.300 -0.053 0.000 1.236 236 D CA 1.244 55.064 54.000 -0.300 0.000 0.838 236 D CB 1.507 42.101 40.800 -0.344 0.000 1.647 236 D HN 1.593 nan 8.370 nan 0.000 0.486 237 G N 1.707 110.523 108.800 0.027 0.000 2.489 237 G HA2 0.377 4.337 3.960 0.000 0.000 0.305 237 G HA3 0.377 4.337 3.960 0.000 0.000 0.305 237 G C -2.261 172.745 174.900 0.177 0.000 1.311 237 G CA -0.721 44.466 45.100 0.146 0.000 0.813 237 G HN 0.352 nan 8.290 nan 0.000 0.480 238 P HA -0.056 nan 4.420 nan 0.000 0.214 238 P C 1.173 178.588 177.300 0.192 0.000 1.163 238 P CA 1.096 64.276 63.100 0.134 0.000 0.889 238 P CB 0.266 32.025 31.700 0.097 0.000 0.790 239 E N -1.747 118.597 120.200 0.240 0.000 2.461 239 E HA -0.071 4.279 4.350 0.000 0.000 0.196 239 E C 1.358 178.172 176.600 0.356 0.000 1.129 239 E CA 0.085 56.631 56.400 0.243 0.000 0.902 239 E CB -0.868 28.947 29.700 0.192 0.000 0.963 239 E HN 0.338 nan 8.360 nan 0.000 0.503 240 F N 0.575 120.660 119.950 0.225 0.000 2.075 240 F HA -0.277 4.250 4.527 0.000 0.000 0.297 240 F C 2.201 178.072 175.800 0.118 0.000 1.113 240 F CA 1.449 59.552 58.000 0.172 0.000 1.218 240 F CB -0.236 38.718 39.000 -0.076 0.000 0.984 240 F HN 0.074 nan 8.300 nan 0.000 0.472 241 C N -0.007 119.437 119.300 0.240 0.000 2.413 241 C HA -0.194 4.266 4.460 0.000 0.000 0.276 241 C C 2.680 177.678 174.990 0.012 0.000 1.248 241 C CA 1.700 60.776 59.018 0.097 0.000 1.742 241 C CB -1.578 26.229 27.740 0.111 0.000 2.017 241 C HN 0.572 nan 8.230 nan 0.000 0.481 242 T N 1.633 116.220 114.554 0.055 0.000 2.684 242 T HA -0.117 4.233 4.350 0.000 0.000 0.267 242 T C 1.678 176.395 174.700 0.029 0.000 1.036 242 T CA 1.313 63.438 62.100 0.040 0.000 1.148 242 T CB -0.227 68.676 68.868 0.058 0.000 0.863 242 T HN 0.308 nan 8.240 nan 0.000 0.436 243 I N 0.851 121.452 120.570 0.052 0.000 2.315 243 I HA -0.031 4.139 4.170 0.000 0.000 0.248 243 I C 2.277 178.444 176.117 0.083 0.000 1.117 243 I CA 0.823 62.175 61.300 0.087 0.000 1.404 243 I CB -1.276 36.851 38.000 0.212 0.000 1.071 243 I HN 0.209 nan 8.210 nan 0.000 0.419 244 L N 0.815 121.962 121.223 -0.125 0.000 2.056 244 L HA -0.202 4.139 4.340 0.000 0.000 0.207 244 L C 2.497 179.296 176.870 -0.119 0.000 1.078 244 L CA 1.781 56.436 54.840 -0.308 0.000 0.749 244 L CB -0.829 40.892 42.059 -0.564 0.000 0.901 244 L HN 0.168 nan 8.230 nan 0.000 0.433 245 Q N -0.851 118.907 119.800 -0.069 0.000 2.119 245 Q HA -0.184 4.156 4.340 0.000 0.000 0.201 245 Q C 2.058 178.050 176.000 -0.012 0.000 0.972 245 Q CA 1.861 57.641 55.803 -0.037 0.000 0.847 245 Q CB -0.470 28.258 28.738 -0.018 0.000 0.903 245 Q HN 0.502 nan 8.270 nan 0.000 0.433 246 L N -0.374 120.857 121.223 0.013 0.000 1.988 246 L HA -0.106 4.234 4.340 0.000 0.000 0.207 246 L C 2.279 179.178 176.870 0.047 0.000 1.071 246 L CA 1.946 56.804 54.840 0.030 0.000 0.744 246 L CB -0.891 41.190 42.059 0.037 0.000 0.893 246 L HN 0.298 nan 8.230 nan 0.000 0.433 247 V N -2.593 117.377 119.914 0.094 0.000 2.660 247 V HA -0.296 3.824 4.120 0.000 0.000 0.257 247 V C 2.495 178.624 176.094 0.057 0.000 1.088 247 V CA 2.117 64.491 62.300 0.124 0.000 1.106 247 V CB -1.160 30.816 31.823 0.255 0.000 0.686 247 V HN 0.521 nan 8.190 nan 0.000 0.481 248 K N 2.298 122.700 120.400 0.003 0.000 1.984 248 K HA -0.124 4.196 4.320 0.000 0.000 0.209 248 K C 1.537 178.038 176.600 -0.166 0.000 1.046 248 K CA 1.790 58.034 56.287 -0.072 0.000 0.934 248 K CB -0.217 32.240 32.500 -0.071 0.000 0.717 248 K HN 0.796 nan 8.250 nan 0.000 0.438 249 N N 0.309 118.943 118.700 -0.110 0.000 2.346 249 N HA 0.014 4.754 4.740 0.000 0.000 0.225 249 N C 0.253 175.753 175.510 -0.017 0.000 1.144 249 N CA 0.166 53.140 53.050 -0.126 0.000 0.837 249 N CB 0.665 39.134 38.487 -0.029 0.000 1.069 249 N HN 0.073 nan 8.380 nan 0.000 0.487 250 L N -1.042 120.174 121.223 -0.013 0.000 2.966 250 L HA 0.282 4.622 4.340 0.000 0.000 0.262 250 L C -0.353 176.653 176.870 0.226 0.000 1.165 250 L CA -0.207 54.718 54.840 0.142 0.000 0.978 250 L CB -0.555 41.561 42.059 0.095 0.000 1.337 250 L HN 0.230 nan 8.230 nan 0.000 0.563 251 H N -1.526 117.568 119.070 0.040 0.000 2.776 251 H HA -0.196 4.360 4.556 0.000 0.000 0.300 251 H C 0.886 176.246 175.328 0.053 0.000 1.161 251 H CA 1.293 57.364 56.048 0.039 0.000 1.147 251 H CB -1.974 27.802 29.762 0.023 0.000 1.366 251 H HN 0.358 nan 8.280 nan 0.000 0.397 252 I N -1.467 119.182 120.570 0.131 0.000 4.154 252 I HA 0.033 4.203 4.170 0.000 0.000 0.334 252 I C 2.168 178.379 176.117 0.157 0.000 1.371 252 I CA -0.136 61.258 61.300 0.156 0.000 1.110 252 I CB 0.195 38.316 38.000 0.202 0.000 1.085 252 I HN 0.162 nan 8.210 nan 0.000 0.398 253 E N 2.766 123.031 120.200 0.109 0.000 2.136 253 E HA -0.276 4.074 4.350 0.000 0.000 0.202 253 E C 0.722 177.398 176.600 0.127 0.000 1.019 253 E CA 2.220 58.684 56.400 0.107 0.000 0.819 253 E CB -0.012 29.709 29.700 0.035 0.000 0.739 253 E HN 0.682 nan 8.360 nan 0.000 0.458 254 D N -1.363 119.104 120.400 0.111 0.000 2.370 254 D HA 0.017 4.657 4.640 0.000 0.000 0.230 254 D C 0.895 177.270 176.300 0.125 0.000 1.143 254 D CA 0.025 54.089 54.000 0.107 0.000 0.834 254 D CB -0.146 40.706 40.800 0.087 0.000 0.944 254 D HN 0.016 nan 8.370 nan 0.000 0.504 255 R N -0.392 120.201 120.500 0.156 0.000 2.566 255 R HA 0.300 4.640 4.340 0.000 0.000 0.388 255 R C -0.920 175.462 176.300 0.137 0.000 0.989 255 R CA -0.157 56.058 56.100 0.191 0.000 1.164 255 R CB 1.683 32.156 30.300 0.289 0.000 1.459 255 R HN 0.021 nan 8.270 nan 0.000 0.553 256 V N 1.637 121.595 119.914 0.073 0.000 2.638 256 V HA 0.314 4.434 4.120 0.000 0.000 0.306 256 V C -1.014 175.077 176.094 -0.006 0.000 1.052 256 V CA -0.720 61.522 62.300 -0.096 0.000 0.885 256 V CB 2.447 34.215 31.823 -0.091 0.000 0.999 256 V HN 0.041 nan 8.190 nan 0.000 0.424 257 L N 5.704 126.867 121.223 -0.099 0.000 2.603 257 L HA 0.488 4.828 4.340 0.000 0.000 0.242 257 L C -0.194 176.725 176.870 0.082 0.000 1.169 257 L CA 0.046 54.915 54.840 0.049 0.000 1.029 257 L CB -0.183 41.882 42.059 0.011 0.000 1.361 257 L HN 0.425 nan 8.230 nan 0.000 0.439 258 F N 1.760 121.745 119.950 0.058 0.000 2.593 258 F HA -0.099 4.428 4.527 0.000 0.000 0.393 258 F C 1.201 177.062 175.800 0.101 0.000 1.037 258 F CA 0.139 58.202 58.000 0.105 0.000 1.195 258 F CB 0.362 39.455 39.000 0.155 0.000 1.034 258 F HN 0.239 nan 8.300 nan 0.000 0.552 259 L N 3.321 124.662 121.223 0.197 0.000 2.693 259 L HA 0.339 4.679 4.340 0.000 0.000 0.235 259 L C 1.115 178.051 176.870 0.110 0.000 1.127 259 L CA 0.517 55.442 54.840 0.143 0.000 0.914 259 L CB -0.566 41.535 42.059 0.069 0.000 1.193 259 L HN 0.894 nan 8.230 nan 0.000 0.502 260 G N 0.921 109.797 108.800 0.127 0.000 2.804 260 G HA2 -0.319 3.641 3.960 0.000 0.000 0.230 260 G HA3 -0.319 3.641 3.960 0.000 0.000 0.230 260 G C -0.069 174.822 174.900 -0.013 0.000 1.386 260 G CA -0.060 45.043 45.100 0.004 0.000 0.875 260 G HN 0.482 nan 8.290 nan 0.000 0.557 261 K N 0.328 120.691 120.400 -0.061 0.000 2.349 261 K HA 0.550 4.870 4.320 0.000 0.000 0.289 261 K C 0.192 176.780 176.600 -0.020 0.000 1.064 261 K CA -0.362 55.907 56.287 -0.031 0.000 0.947 261 K CB 1.100 33.572 32.500 -0.047 0.000 1.007 261 K HN 0.496 nan 8.250 nan 0.000 0.478 262 Q N 2.588 122.384 119.800 -0.006 0.000 2.195 262 Q HA 0.149 4.489 4.340 0.000 0.000 0.250 262 Q C -0.425 175.567 176.000 -0.013 0.000 0.988 262 Q CA -0.473 55.327 55.803 -0.006 0.000 0.911 262 Q CB 1.815 30.555 28.738 0.002 0.000 1.258 262 Q HN 0.831 nan 8.270 nan 0.000 0.475 263 D N -0.538 119.852 120.400 -0.016 0.000 2.766 263 D HA 0.030 4.670 4.640 0.000 0.000 0.284 263 D C -0.430 175.859 176.300 -0.020 0.000 1.050 263 D CA 0.231 54.220 54.000 -0.018 0.000 0.945 263 D CB 0.464 41.250 40.800 -0.023 0.000 1.272 263 D HN 0.348 nan 8.370 nan 0.000 0.482 264 N N 0.571 119.252 118.700 -0.031 0.000 3.245 264 N HA 0.059 4.799 4.740 0.000 0.000 0.296 264 N C 0.460 175.927 175.510 -0.071 0.000 1.254 264 N CA 0.008 53.023 53.050 -0.059 0.000 1.190 264 N CB 1.212 39.664 38.487 -0.058 0.000 1.460 264 N HN -0.048 nan 8.380 nan 0.000 0.538 265 V N 0.527 120.407 119.914 -0.056 0.000 3.510 265 V HA 0.002 4.122 4.120 0.000 0.000 0.270 265 V C 1.852 177.887 176.094 -0.099 0.000 1.201 265 V CA 0.985 63.255 62.300 -0.051 0.000 1.166 265 V CB -0.654 31.163 31.823 -0.011 0.000 0.825 265 V HN 0.581 nan 8.190 nan 0.000 0.484 266 A N 0.162 122.842 122.820 -0.233 0.000 1.908 266 A HA -0.231 4.089 4.320 0.000 0.000 0.218 266 A C 2.063 179.473 177.584 -0.290 0.000 1.181 266 A CA 2.059 53.830 52.037 -0.444 0.000 0.627 266 A CB -0.367 18.153 19.000 -0.800 0.000 0.818 266 A HN 0.690 nan 8.150 nan 0.000 0.445 267 E N -0.140 119.935 120.200 -0.208 0.000 2.107 267 E HA -0.104 4.246 4.350 0.000 0.000 0.191 267 E C 2.007 178.553 176.600 -0.091 0.000 0.982 267 E CA 0.988 57.306 56.400 -0.136 0.000 0.809 267 E CB -0.327 29.328 29.700 -0.075 0.000 0.756 267 E HN 0.661 nan 8.360 nan 0.000 0.459 268 L N 0.768 121.938 121.223 -0.089 0.000 2.027 268 L HA -0.170 4.170 4.340 0.000 0.000 0.206 268 L C 2.598 179.418 176.870 -0.083 0.000 1.074 268 L CA 0.904 55.683 54.840 -0.102 0.000 0.745 268 L CB -0.455 41.535 42.059 -0.115 0.000 0.898 268 L HN 0.116 nan 8.230 nan 0.000 0.433 269 L N -0.282 120.904 121.223 -0.062 0.000 2.046 269 L HA -0.210 4.130 4.340 0.000 0.000 0.208 269 L C 2.935 179.790 176.870 -0.025 0.000 1.077 269 L CA 1.083 55.906 54.840 -0.028 0.000 0.747 269 L CB -0.790 41.281 42.059 0.019 0.000 0.896 269 L HN 0.256 nan 8.230 nan 0.000 0.432 270 A N 1.126 123.914 122.820 -0.053 0.000 1.892 270 A HA -0.257 4.063 4.320 0.000 0.000 0.218 270 A C 2.063 179.640 177.584 -0.010 0.000 1.188 270 A CA 2.277 54.289 52.037 -0.043 0.000 0.631 270 A CB -0.656 18.290 19.000 -0.090 0.000 0.822 270 A HN 0.604 nan 8.150 nan 0.000 0.447 271 M N -1.224 118.363 119.600 -0.021 0.000 2.652 271 M HA 0.367 4.847 4.480 0.000 0.000 0.226 271 M C -0.190 176.104 176.300 -0.011 0.000 1.244 271 M CA 0.076 55.371 55.300 -0.008 0.000 0.986 271 M CB 0.010 32.604 32.600 -0.010 0.000 1.666 271 M HN 0.069 nan 8.290 nan 0.000 0.460 272 S N 0.076 115.777 115.700 0.001 0.000 2.704 272 S HA 0.441 4.911 4.470 0.000 0.000 0.305 272 S C 0.080 174.718 174.600 0.063 0.000 1.107 272 S CA -0.835 57.373 58.200 0.012 0.000 0.993 272 S CB 1.819 65.017 63.200 -0.003 0.000 1.110 272 S HN 0.419 nan 8.310 nan 0.000 0.534 273 D N -0.314 120.140 120.400 0.090 0.000 2.531 273 D HA 0.233 4.873 4.640 0.000 0.000 0.263 273 D C -0.524 175.917 176.300 0.234 0.000 1.057 273 D CA 0.286 54.406 54.000 0.200 0.000 0.909 273 D CB 0.566 41.453 40.800 0.145 0.000 1.236 273 D HN 0.175 nan 8.370 nan 0.000 0.494 274 L N 0.995 122.298 121.223 0.134 0.000 2.455 274 L HA 0.435 4.775 4.340 0.000 0.000 0.264 274 L C -1.524 175.377 176.870 0.052 0.000 0.968 274 L CA -0.347 54.553 54.840 0.100 0.000 0.827 274 L CB 2.533 44.667 42.059 0.126 0.000 1.317 274 L HN -0.232 nan 8.230 nan 0.000 0.407 275 M N 5.142 124.760 119.600 0.030 0.000 2.336 275 M HA 0.519 4.999 4.480 0.000 0.000 0.342 275 M C -1.562 174.754 176.300 0.027 0.000 1.128 275 M CA -0.604 54.706 55.300 0.017 0.000 1.016 275 M CB 1.524 34.120 32.600 -0.008 0.000 1.665 275 M HN 0.561 nan 8.290 nan 0.000 0.445 276 L N 4.691 125.942 121.223 0.047 0.000 2.346 276 L HA 0.619 4.959 4.340 0.000 0.000 0.276 276 L C -1.264 175.670 176.870 0.106 0.000 1.006 276 L CA -0.932 53.933 54.840 0.042 0.000 0.817 276 L CB 2.162 44.216 42.059 -0.008 0.000 1.272 276 L HN 0.535 nan 8.230 nan 0.000 0.421 277 L N 5.163 126.415 121.223 0.048 0.000 2.617 277 L HA 0.386 4.726 4.340 0.000 0.000 0.259 277 L C -0.950 175.925 176.870 0.009 0.000 0.995 277 L CA 0.170 55.048 54.840 0.063 0.000 0.899 277 L CB 1.263 43.340 42.059 0.030 0.000 1.181 277 L HN 0.471 nan 8.230 nan 0.000 0.437 278 L N 3.147 124.355 121.223 -0.025 0.000 3.096 278 L HA 0.428 4.768 4.340 0.000 0.000 0.272 278 L C 0.453 177.307 176.870 -0.027 0.000 1.311 278 L CA -0.351 54.468 54.840 -0.034 0.000 0.943 278 L CB 0.367 42.387 42.059 -0.064 0.000 1.348 278 L HN 0.536 nan 8.230 nan 0.000 0.562 279 S N -1.730 113.969 115.700 -0.001 0.000 2.617 279 S HA 0.255 4.725 4.470 0.000 0.000 0.269 279 S C 0.897 175.506 174.600 0.014 0.000 1.292 279 S CA -0.758 57.446 58.200 0.007 0.000 1.010 279 S CB 1.598 64.813 63.200 0.026 0.000 0.944 279 S HN 0.366 nan 8.310 nan 0.000 0.536 280 E N 0.842 121.052 120.200 0.016 0.000 2.268 280 E HA -0.016 4.334 4.350 0.000 0.000 0.195 280 E C -0.029 176.591 176.600 0.033 0.000 0.995 280 E CA 0.768 57.181 56.400 0.022 0.000 0.836 280 E CB 0.004 29.716 29.700 0.021 0.000 0.763 280 E HN 0.509 nan 8.360 nan 0.000 0.491 281 K N 0.224 120.648 120.400 0.040 0.000 2.568 281 K HA 0.451 4.771 4.320 0.000 0.000 0.273 281 K C -1.161 175.477 176.600 0.064 0.000 0.951 281 K CA -0.670 55.649 56.287 0.052 0.000 0.854 281 K CB 2.566 35.098 32.500 0.053 0.000 1.424 281 K HN -0.120 nan 8.250 nan 0.000 0.427 282 E N -0.332 119.916 120.200 0.079 0.000 2.401 282 E HA 0.216 4.566 4.350 0.000 0.000 0.283 282 E C -1.127 175.551 176.600 0.129 0.000 1.053 282 E CA -0.269 56.190 56.400 0.098 0.000 0.842 282 E CB 1.325 31.073 29.700 0.081 0.000 1.222 282 E HN 0.408 nan 8.360 nan 0.000 0.429 283 S N 2.840 118.639 115.700 0.165 0.000 2.502 283 S HA 0.307 4.777 4.470 0.000 0.000 0.215 283 S C 0.691 175.488 174.600 0.328 0.000 1.009 283 S CA 0.022 58.332 58.200 0.183 0.000 0.908 283 S CB 0.183 63.465 63.200 0.137 0.000 0.801 283 S HN 0.506 nan 8.310 nan 0.000 0.505 284 F N 0.673 120.660 119.950 0.062 0.000 2.083 284 F HA 0.444 4.971 4.527 0.000 0.000 0.259 284 F C 0.729 176.521 175.800 -0.014 0.000 0.953 284 F CA -0.208 57.819 58.000 0.044 0.000 1.156 284 F CB 0.397 39.429 39.000 0.053 0.000 1.297 284 F HN 0.253 nan 8.300 nan 0.000 0.733 285 G N 0.234 108.860 108.800 -0.290 0.000 2.533 285 G HA2 0.450 4.410 3.960 0.000 0.000 0.304 285 G HA3 0.450 4.410 3.960 0.000 0.000 0.304 285 G C -0.317 174.356 174.900 -0.378 0.000 1.263 285 G CA -0.562 44.492 45.100 -0.076 0.000 0.964 285 G HN 0.107 nan 8.290 nan 0.000 0.479 286 L N 1.608 122.679 121.223 -0.254 0.000 2.131 286 L HA -0.045 4.295 4.340 0.000 0.000 0.210 286 L C 3.083 179.774 176.870 -0.299 0.000 1.092 286 L CA 1.440 56.073 54.840 -0.346 0.000 0.759 286 L CB -1.047 40.878 42.059 -0.225 0.000 0.903 286 L HN 0.532 nan 8.230 nan 0.000 0.435 287 V N -1.298 118.496 119.914 -0.200 0.000 2.660 287 V HA -0.272 3.848 4.120 0.000 0.000 0.257 287 V C 2.224 178.197 176.094 -0.201 0.000 1.088 287 V CA 1.638 63.835 62.300 -0.171 0.000 1.106 287 V CB -0.502 31.245 31.823 -0.128 0.000 0.686 287 V HN 0.474 nan 8.190 nan 0.000 0.481 288 L N -1.165 119.906 121.223 -0.254 0.000 2.046 288 L HA -0.139 4.201 4.340 0.000 0.000 0.208 288 L C 2.608 179.320 176.870 -0.263 0.000 1.077 288 L CA 1.712 56.408 54.840 -0.240 0.000 0.747 288 L CB -0.522 41.366 42.059 -0.285 0.000 0.896 288 L HN 0.355 nan 8.230 nan 0.000 0.432 289 L N -0.167 120.829 121.223 -0.378 0.000 1.994 289 L HA -0.226 4.114 4.340 0.000 0.000 0.208 289 L C 2.511 179.209 176.870 -0.285 0.000 1.071 289 L CA 1.731 56.363 54.840 -0.346 0.000 0.745 289 L CB -0.668 41.136 42.059 -0.424 0.000 0.892 289 L HN 0.218 nan 8.230 nan 0.000 0.431 290 E N -0.593 119.387 120.200 -0.367 0.000 2.048 290 E HA -0.346 4.004 4.350 0.000 0.000 0.202 290 E C 2.191 178.716 176.600 -0.125 0.000 1.021 290 E CA 1.439 57.563 56.400 -0.459 0.000 0.825 290 E CB -0.478 28.995 29.700 -0.378 0.000 0.756 290 E HN 0.552 nan 8.360 nan 0.000 0.454 291 A N 1.506 124.275 122.820 -0.085 0.000 1.869 291 A HA -0.279 4.042 4.320 0.000 0.000 0.218 291 A C 2.281 179.855 177.584 -0.018 0.000 1.203 291 A CA 2.183 54.203 52.037 -0.028 0.000 0.638 291 A CB -0.713 18.256 19.000 -0.052 0.000 0.831 291 A HN 0.163 nan 8.150 nan 0.000 0.450 292 M N -0.832 118.737 119.600 -0.051 0.000 2.065 292 M HA -0.199 4.281 4.480 0.000 0.000 0.259 292 M C 2.540 178.850 176.300 0.017 0.000 1.071 292 M CA 1.614 56.900 55.300 -0.024 0.000 1.109 292 M CB -0.626 31.954 32.600 -0.034 0.000 1.313 292 M HN 0.500 nan 8.290 nan 0.000 0.408 293 A N -0.699 122.128 122.820 0.011 0.000 2.067 293 A HA -0.244 4.076 4.320 0.000 0.000 0.224 293 A C 1.928 179.584 177.584 0.119 0.000 1.172 293 A CA 1.838 53.920 52.037 0.074 0.000 0.662 293 A CB -1.253 17.772 19.000 0.042 0.000 0.814 293 A HN 0.683 nan 8.150 nan 0.000 0.468 294 C N -1.112 118.248 119.300 0.099 0.000 2.614 294 C HA 0.500 4.960 4.460 0.000 0.000 0.299 294 C C 1.821 176.857 174.990 0.076 0.000 1.293 294 C CA 0.025 59.103 59.018 0.102 0.000 1.713 294 C CB -1.365 26.424 27.740 0.081 0.000 1.890 294 C HN 1.170 nan 8.230 nan 0.000 0.602 295 G N 0.872 109.710 108.800 0.064 0.000 2.143 295 G HA2 -0.213 3.747 3.960 0.000 0.000 0.248 295 G HA3 -0.213 3.747 3.960 0.000 0.000 0.248 295 G C -0.014 174.898 174.900 0.019 0.000 0.991 295 G CA 0.419 45.546 45.100 0.045 0.000 0.689 295 G HN 0.452 nan 8.290 nan 0.000 0.522 296 V N 2.761 122.682 119.914 0.011 0.000 2.333 296 V HA 0.433 4.553 4.120 0.000 0.000 0.274 296 V C -1.170 174.896 176.094 -0.047 0.000 1.028 296 V CA -1.593 60.704 62.300 -0.006 0.000 0.851 296 V CB 1.493 33.325 31.823 0.015 0.000 1.000 296 V HN 0.253 nan 8.190 nan 0.000 0.456 297 P HA 0.180 nan 4.420 nan 0.000 0.269 297 P C -0.642 176.627 177.300 -0.052 0.000 1.209 297 P CA -0.099 62.934 63.100 -0.112 0.000 0.776 297 P CB 0.926 32.508 31.700 -0.197 0.000 0.876 298 C N 2.962 122.231 119.300 -0.051 0.000 2.614 298 C HA 0.595 5.055 4.460 0.000 0.000 0.320 298 C C 0.568 175.560 174.990 0.004 0.000 1.200 298 C CA -0.537 58.468 59.018 -0.022 0.000 1.700 298 C CB 0.977 28.689 27.740 -0.046 0.000 2.275 298 C HN 0.466 nan 8.230 nan 0.000 0.492 299 I N 2.363 122.949 120.570 0.025 0.000 2.537 299 I HA 0.446 4.616 4.170 0.000 0.000 0.276 299 I C 0.508 176.630 176.117 0.008 0.000 1.063 299 I CA 0.334 61.659 61.300 0.041 0.000 1.144 299 I CB 0.728 38.762 38.000 0.056 0.000 1.252 299 I HN 0.857 nan 8.210 nan 0.000 0.480 300 G N 2.938 111.734 108.800 -0.007 0.000 2.432 300 G HA2 0.557 4.517 3.960 0.000 0.000 0.331 300 G HA3 0.557 4.517 3.960 0.000 0.000 0.331 300 G C 0.006 174.906 174.900 0.001 0.000 1.170 300 G CA -0.427 44.669 45.100 -0.006 0.000 0.943 300 G HN 0.447 nan 8.290 nan 0.000 0.483 301 T N -1.232 113.325 114.554 0.006 0.000 2.932 301 T HA 0.132 4.482 4.350 0.000 0.000 0.312 301 T C 0.740 175.456 174.700 0.027 0.000 1.071 301 T CA -0.411 61.697 62.100 0.014 0.000 1.128 301 T CB 1.045 69.920 68.868 0.012 0.000 0.984 301 T HN 0.572 nan 8.240 nan 0.000 0.549 302 R N 1.788 122.310 120.500 0.036 0.000 3.268 302 R HA 0.396 4.736 4.340 0.000 0.000 0.217 302 R C -1.248 175.082 176.300 0.050 0.000 1.568 302 R CA -0.256 55.873 56.100 0.050 0.000 1.322 302 R CB -0.696 29.639 30.300 0.060 0.000 1.280 302 R HN 0.552 nan 8.270 nan 0.000 0.667 303 V N 2.274 122.220 119.914 0.053 0.000 2.588 303 V HA 0.339 4.459 4.120 0.000 0.000 0.304 303 V C 0.705 176.845 176.094 0.076 0.000 1.042 303 V CA -1.059 61.276 62.300 0.058 0.000 0.877 303 V CB 1.853 33.706 31.823 0.051 0.000 0.996 303 V HN 0.777 nan 8.190 nan 0.000 0.425 304 G N 2.740 111.587 108.800 0.079 0.000 2.641 304 G HA2 0.293 4.253 3.960 0.000 0.000 0.293 304 G HA3 0.293 4.253 3.960 0.000 0.000 0.293 304 G C 1.185 176.162 174.900 0.129 0.000 0.541 304 G CA 1.122 46.281 45.100 0.098 0.000 1.196 304 G HN 1.995 nan 8.290 nan 0.000 0.237 305 G N 1.689 110.587 108.800 0.164 0.000 2.284 305 G HA2 -0.255 3.705 3.960 0.000 0.000 0.201 305 G HA3 -0.255 3.705 3.960 0.000 0.000 0.201 305 G C 1.121 176.156 174.900 0.226 0.000 0.998 305 G CA 0.300 45.539 45.100 0.232 0.000 0.651 305 G HN 0.513 nan 8.290 nan 0.000 0.489 306 I N 1.448 122.098 120.570 0.134 0.000 2.429 306 I HA 0.058 4.228 4.170 0.000 0.000 0.247 306 I C -0.244 175.923 176.117 0.082 0.000 1.099 306 I CA 1.001 62.344 61.300 0.072 0.000 1.422 306 I CB -1.659 36.366 38.000 0.041 0.000 1.112 306 I HN 0.008 nan 8.210 nan 0.000 0.430 307 P HA -0.157 nan 4.420 nan 0.000 0.222 307 P C 1.024 178.397 177.300 0.121 0.000 1.142 307 P CA 1.322 64.480 63.100 0.096 0.000 0.788 307 P CB -0.072 31.686 31.700 0.095 0.000 0.767 308 E N -1.202 119.105 120.200 0.178 0.000 2.478 308 E HA -0.017 4.333 4.350 0.000 0.000 0.194 308 E C 1.487 178.213 176.600 0.209 0.000 1.045 308 E CA 0.603 57.135 56.400 0.221 0.000 0.868 308 E CB -0.003 29.924 29.700 0.377 0.000 0.885 308 E HN 0.281 nan 8.360 nan 0.000 0.505 309 V N -2.396 117.616 119.914 0.163 0.000 3.359 309 V HA 0.266 4.386 4.120 0.000 0.000 0.245 309 V C 0.857 176.998 176.094 0.079 0.000 1.247 309 V CA -0.111 62.283 62.300 0.157 0.000 1.145 309 V CB 0.276 32.044 31.823 -0.091 0.000 0.906 309 V HN -0.023 nan 8.190 nan 0.000 0.464 310 I N 3.514 124.103 120.570 0.030 0.000 2.312 310 I HA 0.367 4.537 4.170 0.000 0.000 0.290 310 I C -0.388 175.735 176.117 0.010 0.000 1.008 310 I CA -0.263 61.033 61.300 -0.007 0.000 1.226 310 I CB 1.546 39.524 38.000 -0.038 0.000 1.371 310 I HN 0.481 nan 8.210 nan 0.000 0.468 311 Q N 6.172 125.971 119.800 -0.002 0.000 2.400 311 Q HA 0.297 4.638 4.340 0.000 0.000 0.255 311 Q C -0.252 175.762 176.000 0.022 0.000 1.008 311 Q CA -0.729 55.088 55.803 0.023 0.000 0.841 311 Q CB 1.067 29.813 28.738 0.013 0.000 1.220 311 Q HN 0.627 nan 8.270 nan 0.000 0.474 312 H N 2.394 121.428 119.070 -0.060 0.000 3.192 312 H HA 0.015 4.571 4.556 0.000 0.000 0.295 312 H C 1.283 176.521 175.328 -0.149 0.000 0.943 312 H CA 1.596 57.592 56.048 -0.087 0.000 1.416 312 H CB 0.174 29.945 29.762 0.016 0.000 1.434 312 H HN 1.071 nan 8.280 nan 0.000 0.565 313 G N 3.885 112.664 108.800 -0.034 0.000 2.253 313 G HA2 -0.359 3.601 3.960 0.000 0.000 0.251 313 G HA3 -0.359 3.601 3.960 0.000 0.000 0.251 313 G C 0.993 175.823 174.900 -0.117 0.000 0.998 313 G CA 0.640 45.716 45.100 -0.039 0.000 0.621 313 G HN 0.656 nan 8.290 nan 0.000 0.524 314 D N -0.105 120.233 120.400 -0.103 0.000 2.490 314 D HA 0.128 4.768 4.640 0.000 0.000 0.244 314 D C 2.419 178.649 176.300 -0.117 0.000 0.979 314 D CA 2.278 56.230 54.000 -0.080 0.000 0.924 314 D CB 0.032 40.808 40.800 -0.039 0.000 1.075 314 D HN 0.623 nan 8.370 nan 0.000 0.488 315 T N -2.996 111.473 114.554 -0.142 0.000 3.111 315 T HA 0.609 4.959 4.350 0.000 0.000 0.284 315 T C 0.690 175.273 174.700 -0.196 0.000 0.983 315 T CA 0.154 62.175 62.100 -0.131 0.000 0.900 315 T CB 1.284 70.115 68.868 -0.060 0.000 1.132 315 T HN 0.215 nan 8.240 nan 0.000 0.531 316 G N 0.052 108.644 108.800 -0.347 0.000 2.333 316 G HA2 0.460 4.420 3.960 0.000 0.000 0.288 316 G HA3 0.460 4.420 3.960 0.000 0.000 0.288 316 G C -2.400 172.078 174.900 -0.704 0.000 1.286 316 G CA -1.000 43.851 45.100 -0.415 0.000 0.865 316 G HN 0.195 nan 8.290 nan 0.000 0.506 317 Y N -0.969 119.187 120.300 -0.239 0.000 2.553 317 Y HA 0.784 5.334 4.550 0.000 0.000 0.347 317 Y C 0.402 176.074 175.900 -0.380 0.000 1.019 317 Y CA -0.929 56.840 58.100 -0.551 0.000 1.032 317 Y CB 2.288 40.473 38.460 -0.459 0.000 1.284 317 Y HN 0.498 nan 8.280 nan 0.000 0.466 318 L N 1.816 122.877 121.223 -0.270 0.000 2.260 318 L HA 0.894 5.234 4.340 0.000 0.000 0.265 318 L C -0.826 176.049 176.870 0.008 0.000 1.015 318 L CA -1.009 53.802 54.840 -0.048 0.000 0.826 318 L CB 2.219 44.299 42.059 0.035 0.000 1.373 318 L HN 0.922 nan 8.230 nan 0.000 0.450 319 C N -2.018 117.303 119.300 0.035 0.000 3.068 319 C HA 0.355 4.815 4.460 0.000 0.000 0.344 319 C C -0.751 174.258 174.990 0.032 0.000 1.223 319 C CA -1.183 57.860 59.018 0.042 0.000 1.153 319 C CB 0.819 28.571 27.740 0.020 0.000 1.396 319 C HN 0.766 nan 8.230 nan 0.000 0.485 320 E N 1.076 121.295 120.200 0.032 0.000 2.418 320 E HA 0.389 4.739 4.350 0.000 0.000 0.261 320 E C 0.653 177.261 176.600 0.013 0.000 1.070 320 E CA -0.036 56.378 56.400 0.024 0.000 0.931 320 E CB 0.611 30.325 29.700 0.023 0.000 0.954 320 E HN 1.419 nan 8.360 nan 0.000 0.439 321 V N 0.143 120.065 119.914 0.012 0.000 2.715 321 V HA 0.513 4.633 4.120 0.000 0.000 0.299 321 V C 1.279 177.373 176.094 -0.000 0.000 1.054 321 V CA 0.297 62.599 62.300 0.004 0.000 1.077 321 V CB 0.514 32.341 31.823 0.007 0.000 0.972 321 V HN 0.844 nan 8.190 nan 0.000 0.484 322 G N 2.496 111.291 108.800 -0.009 0.000 2.199 322 G HA2 -0.258 3.702 3.960 0.000 0.000 0.254 322 G HA3 -0.258 3.702 3.960 0.000 0.000 0.254 322 G C 0.384 175.279 174.900 -0.010 0.000 0.982 322 G CA 0.312 45.406 45.100 -0.010 0.000 0.632 322 G HN 0.992 nan 8.290 nan 0.000 0.529 323 D N 2.097 122.492 120.400 -0.008 0.000 2.885 323 D HA 0.225 4.865 4.640 0.000 0.000 0.234 323 D C 2.253 178.544 176.300 -0.014 0.000 1.129 323 D CA 0.927 54.922 54.000 -0.008 0.000 0.991 323 D CB -0.333 40.466 40.800 -0.002 0.000 1.137 323 D HN 0.512 nan 8.370 nan 0.000 0.459 324 T N -2.191 112.353 114.554 -0.017 0.000 2.653 324 T HA -0.296 4.054 4.350 0.000 0.000 0.268 324 T C 1.957 176.645 174.700 -0.020 0.000 1.035 324 T CA 2.261 64.349 62.100 -0.020 0.000 1.154 324 T CB -0.735 68.123 68.868 -0.017 0.000 0.862 324 T HN 0.301 nan 8.240 nan 0.000 0.441 325 T N 0.200 114.743 114.554 -0.019 0.000 2.652 325 T HA 0.026 4.376 4.350 0.000 0.000 0.267 325 T C 2.363 177.047 174.700 -0.026 0.000 1.039 325 T CA 1.395 63.482 62.100 -0.022 0.000 1.153 325 T CB -1.555 67.303 68.868 -0.018 0.000 0.863 325 T HN 0.536 nan 8.240 nan 0.000 0.428 326 G N 1.067 109.853 108.800 -0.022 0.000 2.442 326 G HA2 -0.148 3.812 3.960 0.000 0.000 0.219 326 G HA3 -0.148 3.812 3.960 0.000 0.000 0.219 326 G C 1.674 176.550 174.900 -0.041 0.000 1.141 326 G CA 1.046 46.130 45.100 -0.026 0.000 0.763 326 G HN 0.503 nan 8.290 nan 0.000 0.554 327 V N 1.515 121.409 119.914 -0.034 0.000 2.307 327 V HA -0.117 4.003 4.120 0.000 0.000 0.245 327 V C 3.323 179.390 176.094 -0.045 0.000 1.045 327 V CA 1.979 64.255 62.300 -0.039 0.000 1.024 327 V CB -1.032 30.775 31.823 -0.026 0.000 0.651 327 V HN 0.476 nan 8.190 nan 0.000 0.449 328 A N 0.270 123.068 122.820 -0.036 0.000 1.883 328 A HA -0.285 4.035 4.320 0.000 0.000 0.217 328 A C 2.008 179.559 177.584 -0.053 0.000 1.186 328 A CA 2.182 54.196 52.037 -0.038 0.000 0.624 328 A CB -0.745 18.232 19.000 -0.040 0.000 0.822 328 A HN 0.571 nan 8.150 nan 0.000 0.444 329 D N -0.916 119.450 120.400 -0.058 0.000 2.104 329 D HA -0.192 4.448 4.640 0.000 0.000 0.194 329 D C 2.058 178.297 176.300 -0.101 0.000 0.994 329 D CA 1.900 55.860 54.000 -0.067 0.000 0.830 329 D CB -0.489 40.276 40.800 -0.057 0.000 0.959 329 D HN 0.563 nan 8.370 nan 0.000 0.452 330 Q N 0.821 120.537 119.800 -0.139 0.000 2.170 330 Q HA -0.071 4.269 4.340 0.000 0.000 0.203 330 Q C 1.819 177.679 176.000 -0.234 0.000 0.976 330 Q CA 1.778 57.420 55.803 -0.268 0.000 0.858 330 Q CB -0.311 28.231 28.738 -0.327 0.000 0.907 330 Q HN 0.228 nan 8.270 nan 0.000 0.433 331 A N 0.325 123.076 122.820 -0.114 0.000 1.840 331 A HA -0.103 4.217 4.320 0.000 0.000 0.214 331 A C 2.000 179.573 177.584 -0.019 0.000 1.198 331 A CA 1.504 53.518 52.037 -0.037 0.000 0.608 331 A CB -0.997 18.003 19.000 0.001 0.000 0.839 331 A HN 0.569 nan 8.150 nan 0.000 0.443 332 I N -1.411 119.139 120.570 -0.034 0.000 2.185 332 I HA -0.331 3.839 4.170 0.000 0.000 0.246 332 I C 2.243 178.348 176.117 -0.021 0.000 1.088 332 I CA 2.473 63.755 61.300 -0.029 0.000 1.347 332 I CB -0.935 37.038 38.000 -0.044 0.000 1.041 332 I HN 0.419 nan 8.210 nan 0.000 0.415 333 Q N 1.272 121.049 119.800 -0.040 0.000 2.020 333 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 333 Q C 2.286 178.292 176.000 0.010 0.000 0.982 333 Q CA 2.339 58.125 55.803 -0.030 0.000 0.838 333 Q CB -0.527 28.171 28.738 -0.067 0.000 0.899 333 Q HN 0.620 nan 8.270 nan 0.000 0.423 334 L N 0.663 121.898 121.223 0.020 0.000 2.201 334 L HA -0.044 4.296 4.340 0.000 0.000 0.212 334 L C 2.214 179.187 176.870 0.172 0.000 1.105 334 L CA 1.171 56.085 54.840 0.124 0.000 0.775 334 L CB -0.423 41.746 42.059 0.182 0.000 0.913 334 L HN 0.225 nan 8.230 nan 0.000 0.440 335 L N -0.552 120.734 121.223 0.105 0.000 2.156 335 L HA -0.167 4.173 4.340 0.000 0.000 0.208 335 L C 2.515 179.388 176.870 0.006 0.000 1.095 335 L CA 1.459 56.339 54.840 0.067 0.000 0.770 335 L CB -0.527 41.555 42.059 0.039 0.000 0.914 335 L HN 0.390 nan 8.230 nan 0.000 0.439 336 K N -1.174 119.235 120.400 0.015 0.000 2.078 336 K HA -0.023 4.297 4.320 0.000 0.000 0.203 336 K C 0.712 177.323 176.600 0.017 0.000 1.043 336 K CA 0.101 56.389 56.287 0.002 0.000 0.960 336 K CB -0.467 32.033 32.500 0.000 0.000 0.761 336 K HN -0.010 nan 8.250 nan 0.000 0.448 337 D N 2.666 123.090 120.400 0.041 0.000 2.451 337 D HA -0.091 4.549 4.640 0.000 0.000 0.254 337 D C 0.275 176.621 176.300 0.075 0.000 1.204 337 D CA 0.496 54.529 54.000 0.056 0.000 0.896 337 D CB 0.987 41.829 40.800 0.070 0.000 1.136 337 D HN 0.366 nan 8.370 nan 0.000 0.499 338 E N 3.047 123.279 120.200 0.053 0.000 2.452 338 E HA -0.063 4.287 4.350 0.000 0.000 0.197 338 E C 0.892 177.546 176.600 0.089 0.000 1.022 338 E CA -0.056 56.376 56.400 0.053 0.000 0.890 338 E CB 0.434 30.140 29.700 0.009 0.000 0.918 338 E HN 0.404 nan 8.360 nan 0.000 0.496 339 E N 0.840 121.086 120.200 0.077 0.000 2.016 339 E HA -0.155 4.195 4.350 0.000 0.000 0.190 339 E C 2.138 178.792 176.600 0.091 0.000 0.985 339 E CA 0.582 57.025 56.400 0.071 0.000 0.802 339 E CB -0.373 29.359 29.700 0.053 0.000 0.762 339 E HN 0.248 nan 8.360 nan 0.000 0.448 340 L N 1.540 122.824 121.223 0.102 0.000 2.043 340 L HA -0.206 4.134 4.340 0.000 0.000 0.212 340 L C 2.435 179.379 176.870 0.124 0.000 1.075 340 L CA 1.932 56.838 54.840 0.110 0.000 0.752 340 L CB -0.729 41.410 42.059 0.134 0.000 0.891 340 L HN 0.260 nan 8.230 nan 0.000 0.432 341 H N -0.534 118.574 119.070 0.064 0.000 2.423 341 H HA -0.051 4.505 4.556 0.000 0.000 0.297 341 H C 2.087 177.441 175.328 0.043 0.000 1.075 341 H CA 1.201 57.285 56.048 0.060 0.000 1.342 341 H CB 0.315 30.111 29.762 0.056 0.000 1.395 341 H HN 0.268 nan 8.280 nan 0.000 0.530 342 R N 0.474 121.096 120.500 0.204 0.000 2.119 342 R HA -0.040 4.300 4.340 0.000 0.000 0.222 342 R C 1.830 178.166 176.300 0.061 0.000 1.088 342 R CA 0.478 56.662 56.100 0.139 0.000 0.984 342 R CB -0.203 30.159 30.300 0.104 0.000 0.884 342 R HN 0.430 nan 8.270 nan 0.000 0.447 343 N N 0.830 119.557 118.700 0.046 0.000 2.109 343 N HA -0.107 4.633 4.740 0.000 0.000 0.188 343 N C 1.779 177.281 175.510 -0.012 0.000 1.034 343 N CA 1.081 54.143 53.050 0.019 0.000 0.846 343 N CB -0.316 38.185 38.487 0.025 0.000 1.010 343 N HN 0.112 nan 8.380 nan 0.000 0.425 344 M N 0.712 120.289 119.600 -0.038 0.000 2.065 344 M HA -0.097 4.383 4.480 0.000 0.000 0.259 344 M C 1.927 178.169 176.300 -0.097 0.000 1.069 344 M CA 2.109 57.355 55.300 -0.090 0.000 1.110 344 M CB -0.620 31.901 32.600 -0.131 0.000 1.328 344 M HN 0.201 nan 8.290 nan 0.000 0.405 345 G N -0.872 107.851 108.800 -0.127 0.000 2.485 345 G HA2 -0.277 3.683 3.960 0.000 0.000 0.221 345 G HA3 -0.277 3.683 3.960 0.000 0.000 0.221 345 G C 1.291 176.177 174.900 -0.023 0.000 1.115 345 G CA 1.422 46.466 45.100 -0.093 0.000 0.751 345 G HN 0.492 nan 8.290 nan 0.000 0.567 346 E N 0.265 120.460 120.200 -0.009 0.000 2.060 346 E HA 0.062 4.412 4.350 0.000 0.000 0.189 346 E C 2.684 179.288 176.600 0.006 0.000 0.974 346 E CA 0.250 56.656 56.400 0.010 0.000 0.808 346 E CB -0.189 29.520 29.700 0.015 0.000 0.768 346 E HN 0.062 nan 8.360 nan 0.000 0.453 347 R N 0.596 121.091 120.500 -0.008 0.000 2.094 347 R HA -0.132 4.208 4.340 0.000 0.000 0.239 347 R C 2.171 178.470 176.300 -0.002 0.000 1.137 347 R CA 1.464 57.558 56.100 -0.010 0.000 0.943 347 R CB -1.239 29.044 30.300 -0.028 0.000 0.850 347 R HN 0.290 nan 8.270 nan 0.000 0.433 348 A N 2.096 124.906 122.820 -0.016 0.000 1.849 348 A HA -0.238 4.083 4.320 0.000 0.000 0.217 348 A C 2.058 179.665 177.584 0.038 0.000 1.202 348 A CA 2.190 54.224 52.037 -0.004 0.000 0.629 348 A CB -0.667 18.313 19.000 -0.033 0.000 0.834 348 A HN 0.524 nan 8.150 nan 0.000 0.447 349 R N -0.205 120.322 120.500 0.044 0.000 2.377 349 R HA -0.043 4.298 4.340 0.000 0.000 0.207 349 R C 1.324 177.692 176.300 0.114 0.000 1.075 349 R CA 1.470 57.621 56.100 0.084 0.000 1.035 349 R CB -0.324 30.026 30.300 0.084 0.000 0.857 349 R HN 0.681 nan 8.270 nan 0.000 0.475 350 E N 1.221 121.472 120.200 0.086 0.000 2.079 350 E HA -0.073 4.277 4.350 0.000 0.000 0.191 350 E C 1.962 178.636 176.600 0.124 0.000 0.961 350 E CA 1.038 57.498 56.400 0.101 0.000 0.823 350 E CB 0.135 29.864 29.700 0.049 0.000 0.789 350 E HN 0.453 nan 8.360 nan 0.000 0.459 351 S N 0.744 116.486 115.700 0.070 0.000 2.465 351 S HA -0.103 4.367 4.470 0.000 0.000 0.241 351 S C 2.086 176.713 174.600 0.045 0.000 1.000 351 S CA 0.744 58.961 58.200 0.029 0.000 0.964 351 S CB -0.316 62.886 63.200 0.004 0.000 0.763 351 S HN -0.015 nan 8.310 nan 0.000 0.512 352 V N 0.647 120.652 119.914 0.151 0.000 2.283 352 V HA -0.074 4.046 4.120 0.000 0.000 0.243 352 V C 2.170 178.386 176.094 0.204 0.000 1.039 352 V CA 1.826 64.288 62.300 0.269 0.000 1.016 352 V CB -0.965 30.989 31.823 0.218 0.000 0.650 352 V HN 0.657 nan 8.190 nan 0.000 0.449 353 Y N 0.876 121.233 120.300 0.095 0.000 2.256 353 Y HA -0.216 4.334 4.550 0.000 0.000 0.288 353 Y C 2.549 178.469 175.900 0.033 0.000 1.155 353 Y CA 1.827 59.975 58.100 0.079 0.000 1.203 353 Y CB -0.013 38.485 38.460 0.062 0.000 0.980 353 Y HN 0.245 nan 8.280 nan 0.000 0.530 354 E N 0.347 120.578 120.200 0.052 0.000 2.017 354 E HA -0.249 4.101 4.350 0.000 0.000 0.193 354 E C 1.924 178.406 176.600 -0.195 0.000 0.997 354 E CA 2.183 58.557 56.400 -0.044 0.000 0.804 354 E CB -0.318 29.364 29.700 -0.030 0.000 0.757 354 E HN 0.852 nan 8.360 nan 0.000 0.448 355 Q N -1.885 117.705 119.800 -0.351 0.000 2.246 355 Q HA 0.113 4.453 4.340 0.000 0.000 0.222 355 Q C 0.607 176.238 176.000 -0.615 0.000 0.851 355 Q CA 0.047 55.528 55.803 -0.537 0.000 0.945 355 Q CB 0.350 28.628 28.738 -0.766 0.000 1.122 355 Q HN 0.093 nan 8.270 nan 0.000 0.508 356 F N 0.941 120.875 119.950 -0.026 0.000 2.724 356 F HA 0.367 4.894 4.527 0.000 0.000 0.310 356 F C 0.332 176.155 175.800 0.037 0.000 1.107 356 F CA -1.182 56.847 58.000 0.049 0.000 1.218 356 F CB 0.587 39.622 39.000 0.059 0.000 1.042 356 F HN -0.068 nan 8.300 nan 0.000 0.540 357 R N 1.589 122.095 120.500 0.010 0.000 2.485 357 R HA -0.057 4.283 4.340 0.000 0.000 0.304 357 R C 1.627 177.929 176.300 0.003 0.000 0.934 357 R CA 0.794 56.820 56.100 -0.123 0.000 1.102 357 R CB 0.419 30.465 30.300 -0.423 0.000 0.906 357 R HN 0.308 nan 8.270 nan 0.000 0.407 358 S N 3.528 119.276 115.700 0.081 0.000 2.359 358 S HA -0.286 4.184 4.470 0.000 0.000 0.223 358 S C 1.402 175.893 174.600 -0.183 0.000 1.039 358 S CA 1.445 59.658 58.200 0.021 0.000 1.042 358 S CB -0.412 62.926 63.200 0.230 0.000 0.915 358 S HN 0.812 nan 8.310 nan 0.000 0.439 359 E N 1.579 121.732 120.200 -0.079 0.000 2.209 359 E HA -0.145 4.205 4.350 0.000 0.000 0.196 359 E C 2.026 178.570 176.600 -0.094 0.000 0.993 359 E CA 1.454 57.810 56.400 -0.073 0.000 0.819 359 E CB -0.370 29.322 29.700 -0.013 0.000 0.745 359 E HN 0.736 nan 8.360 nan 0.000 0.477 360 K N 0.324 120.660 120.400 -0.108 0.000 1.991 360 K HA -0.104 4.216 4.320 0.000 0.000 0.207 360 K C 1.943 178.485 176.600 -0.096 0.000 1.045 360 K CA 1.276 57.506 56.287 -0.094 0.000 0.937 360 K CB -0.133 32.304 32.500 -0.104 0.000 0.720 360 K HN 0.109 nan 8.250 nan 0.000 0.438 361 I N 1.287 121.798 120.570 -0.099 0.000 2.163 361 I HA -0.261 3.909 4.170 0.000 0.000 0.243 361 I C 2.237 178.271 176.117 -0.139 0.000 1.085 361 I CA 0.964 62.208 61.300 -0.093 0.000 1.347 361 I CB -0.444 37.578 38.000 0.038 0.000 1.044 361 I HN -0.005 nan 8.210 nan 0.000 0.408 362 V N -0.181 119.576 119.914 -0.261 0.000 2.380 362 V HA -0.314 3.806 4.120 0.000 0.000 0.251 362 V C 2.467 178.537 176.094 -0.040 0.000 1.063 362 V CA 2.164 64.377 62.300 -0.145 0.000 1.055 362 V CB -0.837 30.860 31.823 -0.208 0.000 0.657 362 V HN 0.416 nan 8.190 nan 0.000 0.455 363 S N -0.853 114.811 115.700 -0.060 0.000 2.423 363 S HA -0.209 4.261 4.470 0.000 0.000 0.231 363 S C 1.940 176.497 174.600 -0.071 0.000 1.014 363 S CA 1.200 59.382 58.200 -0.030 0.000 0.965 363 S CB -0.232 62.953 63.200 -0.024 0.000 0.785 363 S HN 0.696 nan 8.310 nan 0.000 0.495 364 Q N -0.255 119.466 119.800 -0.132 0.000 2.046 364 Q HA -0.096 4.244 4.340 0.000 0.000 0.200 364 Q C 1.678 177.505 176.000 -0.288 0.000 0.975 364 Q CA 1.386 57.062 55.803 -0.211 0.000 0.836 364 Q CB -0.354 28.210 28.738 -0.290 0.000 0.896 364 Q HN 0.622 nan 8.270 nan 0.000 0.428 365 Y N 1.174 121.313 120.300 -0.268 0.000 2.224 365 Y HA -0.227 4.324 4.550 0.000 0.000 0.289 365 Y C 2.460 177.831 175.900 -0.881 0.000 1.146 365 Y CA 1.180 58.969 58.100 -0.518 0.000 1.182 365 Y CB 0.101 38.355 38.460 -0.344 0.000 0.983 365 Y HN 0.209 nan 8.280 nan 0.000 0.524 366 E N -0.202 119.799 120.200 -0.332 0.000 2.077 366 E HA -0.228 4.122 4.350 0.000 0.000 0.193 366 E C 2.170 178.717 176.600 -0.088 0.000 0.989 366 E CA 2.023 58.290 56.400 -0.221 0.000 0.800 366 E CB -0.049 29.700 29.700 0.081 0.000 0.746 366 E HN 0.528 nan 8.360 nan 0.000 0.452 367 T N -1.064 113.470 114.554 -0.032 0.000 2.904 367 T HA -0.058 4.292 4.350 0.000 0.000 0.267 367 T C 1.956 176.645 174.700 -0.018 0.000 1.059 367 T CA 0.787 62.926 62.100 0.066 0.000 1.137 367 T CB -0.338 68.539 68.868 0.016 0.000 0.879 367 T HN 0.136 nan 8.240 nan 0.000 0.467 368 I N -0.119 120.346 120.570 -0.176 0.000 2.286 368 I HA -0.134 4.036 4.170 0.000 0.000 0.248 368 I C 2.351 178.429 176.117 -0.065 0.000 1.115 368 I CA 1.400 62.605 61.300 -0.159 0.000 1.392 368 I CB -0.459 37.399 38.000 -0.237 0.000 1.065 368 I HN 0.181 nan 8.210 nan 0.000 0.418 369 Y N 0.133 120.361 120.300 -0.121 0.000 2.133 369 Y HA -0.231 4.319 4.550 0.000 0.000 0.287 369 Y C 2.552 178.347 175.900 -0.176 0.000 1.134 369 Y CA 0.876 58.843 58.100 -0.221 0.000 1.133 369 Y CB -1.542 36.683 38.460 -0.393 0.000 0.987 369 Y HN 0.078 nan 8.280 nan 0.000 0.502 370 Y N 0.391 120.760 120.300 0.115 0.000 2.165 370 Y HA -0.230 4.320 4.550 0.000 0.000 0.286 370 Y C 2.246 178.162 175.900 0.027 0.000 1.155 370 Y CA 1.463 59.600 58.100 0.061 0.000 1.164 370 Y CB -0.813 37.675 38.460 0.047 0.000 0.978 370 Y HN 0.112 nan 8.280 nan 0.000 0.513 371 D N -0.874 119.622 120.400 0.159 0.000 2.117 371 D HA -0.153 4.487 4.640 0.000 0.000 0.197 371 D C 2.160 178.488 176.300 0.047 0.000 0.987 371 D CA 0.956 55.001 54.000 0.076 0.000 0.829 371 D CB -0.463 40.354 40.800 0.029 0.000 0.961 371 D HN 0.159 nan 8.370 nan 0.000 0.460 372 V N 0.233 120.170 119.914 0.038 0.000 3.383 372 V HA -0.077 4.043 4.120 0.000 0.000 0.272 372 V C 1.190 177.292 176.094 0.014 0.000 1.181 372 V CA 0.839 63.147 62.300 0.014 0.000 1.171 372 V CB -0.384 31.441 31.823 0.004 0.000 0.800 372 V HN 0.107 nan 8.190 nan 0.000 0.515 373 L N -0.493 120.754 121.223 0.039 0.000 3.468 373 L HA 0.693 5.033 4.340 0.000 0.000 0.181 373 L C 0.764 177.660 176.870 0.043 0.000 1.344 373 L CA 0.296 55.158 54.840 0.037 0.000 1.236 373 L CB -0.291 41.800 42.059 0.053 0.000 1.635 373 L HN 0.121 nan 8.230 nan 0.000 0.759 374 R N 0.000 120.539 120.500 0.065 0.000 2.786 374 R HA 0.000 4.340 4.340 0.000 0.000 0.208 374 R CA 0.000 nan 56.100 nan 0.000 0.921 374 R CB 0.000 nan 30.300 nan 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535