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 2qbp_1_A DATA FIRST_RESID 2 DATA SEQUENCE EMEKEFEQID KSGSWAAIYQ DIRHEASDFP CRVAKLPKNK NRNRYRDVSP DATA SEQUENCE FDHSRIKLHQ EDNDYINASL IKMEEAQRSY ILTQGPLPNT CGHFWEMVWE DATA SEQUENCE QKSRGVVMLN RVMEKGSLKC AQYWPQKEEK EMIFEDTNLK LTLISEDIKS DATA SEQUENCE YYTVRQLELE NLTTQETREI LHFHYTTWPD FGVPESPASF LNFLFKVRES DATA SEQUENCE GSLSPEHGPV VVHCSAGIGR SGTFCLADTC LLLMDKRKDP SSVDIKKVLL DATA SEQUENCE EMRKFRMGLI QTADQLRFSY LAVIEGAKFI MGDSSVQDQW KELSHED 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 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.674 176.600 0.124 0.000 1.382 2 E CA 0.000 56.447 56.400 0.078 0.000 0.976 2 E CB 0.000 29.736 29.700 0.061 0.000 0.812 3 M N 1.409 121.086 119.600 0.128 0.000 2.319 3 M HA 0.147 4.628 4.480 0.002 0.000 0.265 3 M C 1.165 177.660 176.300 0.324 0.000 1.068 3 M CA 1.214 56.648 55.300 0.222 0.000 1.118 3 M CB 0.034 32.673 32.600 0.065 0.000 1.395 3 M HN 0.389 nan 8.290 nan 0.000 0.435 4 E N 1.274 121.593 120.200 0.199 0.000 2.170 4 E HA -0.049 4.302 4.350 0.002 0.000 0.191 4 E C 1.814 178.540 176.600 0.210 0.000 0.981 4 E CA 0.711 57.224 56.400 0.189 0.000 0.830 4 E CB 0.263 30.020 29.700 0.094 0.000 0.775 4 E HN 0.589 nan 8.360 nan 0.000 0.470 5 K N 0.620 121.113 120.400 0.154 0.000 2.116 5 K HA -0.128 4.193 4.320 0.002 0.000 0.203 5 K C 2.058 178.727 176.600 0.115 0.000 1.052 5 K CA 1.046 57.403 56.287 0.117 0.000 0.952 5 K CB 0.048 32.594 32.500 0.076 0.000 0.729 5 K HN 0.065 nan 8.250 nan 0.000 0.446 6 E N 0.573 120.862 120.200 0.150 0.000 2.106 6 E HA -0.192 4.159 4.350 0.002 0.000 0.192 6 E C 1.763 178.395 176.600 0.053 0.000 0.984 6 E CA 0.779 57.241 56.400 0.103 0.000 0.806 6 E CB -0.078 29.730 29.700 0.181 0.000 0.750 6 E HN 0.267 nan 8.360 nan 0.000 0.458 7 F N 1.930 121.922 119.950 0.070 0.000 2.113 7 F HA -0.087 4.441 4.527 0.002 0.000 0.297 7 F C 1.917 177.737 175.800 0.033 0.000 1.103 7 F CA 1.746 59.779 58.000 0.056 0.000 1.248 7 F CB 0.018 39.157 39.000 0.232 0.000 0.999 7 F HN 0.010 nan 8.300 nan 0.000 0.475 8 E N -0.335 120.009 120.200 0.240 0.000 2.204 8 E HA -0.264 4.087 4.350 0.002 0.000 0.194 8 E C 2.100 178.668 176.600 -0.054 0.000 0.989 8 E CA 1.062 57.531 56.400 0.115 0.000 0.824 8 E CB -0.289 29.503 29.700 0.154 0.000 0.756 8 E HN 0.613 nan 8.360 nan 0.000 0.477 9 Q N 0.745 120.490 119.800 -0.091 0.000 2.020 9 Q HA -0.127 4.214 4.340 0.002 0.000 0.198 9 Q C 2.226 178.061 176.000 -0.275 0.000 0.974 9 Q CA 1.021 56.738 55.803 -0.144 0.000 0.829 9 Q CB 0.074 28.742 28.738 -0.116 0.000 0.894 9 Q HN 0.269 nan 8.270 nan 0.000 0.433 10 I N 0.770 121.056 120.570 -0.474 0.000 2.315 10 I HA -0.238 3.933 4.170 0.002 0.000 0.248 10 I C 1.737 177.435 176.117 -0.697 0.000 1.117 10 I CA 1.009 61.843 61.300 -0.777 0.000 1.404 10 I CB -0.252 36.844 38.000 -1.507 0.000 1.071 10 I HN 0.201 nan 8.210 nan 0.000 0.419 11 D N 1.058 121.145 120.400 -0.522 0.000 2.178 11 D HA -0.201 4.440 4.640 0.002 0.000 0.201 11 D C 2.179 178.400 176.300 -0.131 0.000 0.980 11 D CA 1.114 54.988 54.000 -0.210 0.000 0.842 11 D CB -0.002 40.683 40.800 -0.191 0.000 0.948 11 D HN 0.363 nan 8.370 nan 0.000 0.472 12 K N 0.466 120.779 120.400 -0.145 0.000 2.021 12 K HA -0.021 4.300 4.320 0.002 0.000 0.205 12 K C 0.867 177.417 176.600 -0.083 0.000 1.047 12 K CA 0.507 56.745 56.287 -0.082 0.000 0.943 12 K CB -0.184 32.276 32.500 -0.067 0.000 0.725 12 K HN 0.050 nan 8.250 nan 0.000 0.439 13 S N 0.183 115.812 115.700 -0.118 0.000 2.611 13 S HA 0.183 4.654 4.470 0.002 0.000 0.252 13 S C 0.866 175.389 174.600 -0.128 0.000 1.369 13 S CA -0.219 57.909 58.200 -0.121 0.000 0.975 13 S CB 0.591 63.700 63.200 -0.151 0.000 0.937 13 S HN 0.453 nan 8.310 nan 0.000 0.584 14 G N -0.081 108.660 108.800 -0.099 0.000 4.975 14 G HA2 0.421 4.382 3.960 0.002 0.000 0.312 14 G HA3 0.421 4.382 3.960 0.002 0.000 0.312 14 G C 0.226 175.083 174.900 -0.071 0.000 1.425 14 G CA -0.404 44.662 45.100 -0.058 0.000 1.076 14 G HN 0.702 nan 8.290 nan 0.000 0.586 15 S N -1.467 114.110 115.700 -0.204 0.000 2.574 15 S HA 0.087 4.558 4.470 0.002 0.000 0.242 15 S C 1.063 175.553 174.600 -0.183 0.000 0.982 15 S CA -0.801 57.290 58.200 -0.183 0.000 0.977 15 S CB -0.289 62.775 63.200 -0.228 0.000 0.814 15 S HN 0.583 nan 8.310 nan 0.000 0.464 16 W N 1.724 122.981 121.300 -0.072 0.000 2.402 16 W HA 0.084 4.745 4.660 0.002 0.000 0.286 16 W C 2.581 179.122 176.519 0.037 0.000 1.221 16 W CA 0.648 57.961 57.345 -0.053 0.000 1.257 16 W CB -0.111 29.293 29.460 -0.094 0.000 1.120 16 W HN 0.503 nan 8.180 nan 0.000 0.551 17 A N 0.355 123.326 122.820 0.251 0.000 1.873 17 A HA -0.066 4.255 4.320 0.002 0.000 0.215 17 A C 2.029 179.721 177.584 0.179 0.000 1.186 17 A CA 2.148 54.312 52.037 0.212 0.000 0.616 17 A CB -1.244 17.836 19.000 0.134 0.000 0.823 17 A HN 0.177 nan 8.150 nan 0.000 0.442 18 A N 0.046 122.919 122.820 0.088 0.000 1.873 18 A HA -0.029 4.292 4.320 0.002 0.000 0.215 18 A C 2.027 179.631 177.584 0.033 0.000 1.186 18 A CA 1.564 53.621 52.037 0.033 0.000 0.616 18 A CB -0.513 18.473 19.000 -0.023 0.000 0.823 18 A HN 0.390 nan 8.150 nan 0.000 0.442 19 I N -1.347 119.241 120.570 0.030 0.000 2.127 19 I HA -0.246 3.925 4.170 0.002 0.000 0.241 19 I C 2.442 178.645 176.117 0.144 0.000 1.075 19 I CA 1.780 63.103 61.300 0.038 0.000 1.334 19 I CB -1.618 36.360 38.000 -0.037 0.000 1.040 19 I HN 0.558 nan 8.210 nan 0.000 0.405 20 Y N 2.114 122.497 120.300 0.139 0.000 2.165 20 Y HA -0.261 4.290 4.550 0.002 0.000 0.286 20 Y C 2.721 178.686 175.900 0.109 0.000 1.155 20 Y CA 1.722 59.913 58.100 0.151 0.000 1.164 20 Y CB -0.360 38.198 38.460 0.162 0.000 0.978 20 Y HN 0.189 nan 8.280 nan 0.000 0.513 21 Q N 0.358 120.127 119.800 -0.052 0.000 2.170 21 Q HA -0.179 4.162 4.340 0.002 0.000 0.203 21 Q C 1.758 177.699 176.000 -0.099 0.000 0.976 21 Q CA 1.676 57.408 55.803 -0.118 0.000 0.858 21 Q CB -0.460 28.285 28.738 0.012 0.000 0.907 21 Q HN 0.607 nan 8.270 nan 0.000 0.433 22 D N 0.277 120.643 120.400 -0.057 0.000 2.144 22 D HA -0.116 4.525 4.640 0.002 0.000 0.199 22 D C 1.956 178.247 176.300 -0.015 0.000 0.984 22 D CA 0.672 54.651 54.000 -0.036 0.000 0.834 22 D CB -0.152 40.624 40.800 -0.040 0.000 0.955 22 D HN 0.291 nan 8.370 nan 0.000 0.465 23 I N 0.643 121.170 120.570 -0.071 0.000 2.286 23 I HA -0.221 3.950 4.170 0.002 0.000 0.248 23 I C 2.488 178.556 176.117 -0.082 0.000 1.115 23 I CA 0.903 62.168 61.300 -0.059 0.000 1.392 23 I CB -0.067 37.898 38.000 -0.057 0.000 1.065 23 I HN -0.076 nan 8.210 nan 0.000 0.418 24 R N -0.557 119.837 120.500 -0.177 0.000 2.092 24 R HA -0.188 4.153 4.340 0.002 0.000 0.231 24 R C 2.401 178.684 176.300 -0.030 0.000 1.119 24 R CA 1.080 57.108 56.100 -0.119 0.000 0.970 24 R CB -0.531 29.672 30.300 -0.163 0.000 0.864 24 R HN 0.461 nan 8.270 nan 0.000 0.440 25 H N 1.139 120.157 119.070 -0.088 0.000 2.423 25 H HA -0.054 4.503 4.556 0.002 0.000 0.297 25 H C 0.974 176.269 175.328 -0.055 0.000 1.075 25 H CA 1.447 57.459 56.048 -0.060 0.000 1.342 25 H CB 0.433 30.164 29.762 -0.051 0.000 1.395 25 H HN 0.302 nan 8.280 nan 0.000 0.530 26 E N 0.146 120.416 120.200 0.117 0.000 2.415 26 E HA 0.222 4.573 4.350 0.002 0.000 0.197 26 E C 0.848 177.439 176.600 -0.015 0.000 1.007 26 E CA 0.118 56.556 56.400 0.064 0.000 0.890 26 E CB 0.402 30.149 29.700 0.079 0.000 0.891 26 E HN 0.367 nan 8.360 nan 0.000 0.496 27 A N 1.562 124.372 122.820 -0.016 0.000 2.586 27 A HA 0.014 4.335 4.320 0.002 0.000 0.231 27 A C 0.402 177.935 177.584 -0.086 0.000 1.055 27 A CA 0.094 52.123 52.037 -0.012 0.000 0.756 27 A CB 0.210 19.222 19.000 0.021 0.000 0.988 27 A HN 0.077 nan 8.150 nan 0.000 0.509 28 S N 0.549 116.184 115.700 -0.109 0.000 2.562 28 S HA 0.283 4.754 4.470 0.002 0.000 0.281 28 S C -0.087 174.243 174.600 -0.451 0.000 1.333 28 S CA 0.123 58.084 58.200 -0.398 0.000 1.052 28 S CB 0.648 63.585 63.200 -0.439 0.000 0.884 28 S HN 0.705 nan 8.310 nan 0.000 0.506 29 D N 1.727 121.703 120.400 -0.706 0.000 2.438 29 D HA 0.429 5.070 4.640 0.002 0.000 0.257 29 D C -1.192 174.717 176.300 -0.652 0.000 1.148 29 D CA -0.362 53.363 54.000 -0.458 0.000 0.902 29 D CB 0.007 40.663 40.800 -0.239 0.000 1.062 29 D HN 0.159 nan 8.370 nan 0.000 0.518 30 F N 2.637 122.252 119.950 -0.558 0.000 2.450 30 F HA 0.543 5.071 4.527 0.002 0.000 0.328 30 F C -1.506 174.219 175.800 -0.125 0.000 1.068 30 F CA -2.236 55.468 58.000 -0.494 0.000 1.007 30 F CB 0.649 39.143 39.000 -0.844 0.000 1.251 30 F HN 0.144 nan 8.300 nan 0.000 0.492 31 P HA 0.106 nan 4.420 nan 0.000 0.275 31 P C -0.743 176.724 177.300 0.278 0.000 1.227 31 P CA -0.184 63.032 63.100 0.194 0.000 0.781 31 P CB 0.917 32.694 31.700 0.128 0.000 0.906 32 C N 3.191 122.629 119.300 0.230 0.000 2.667 32 C HA 0.283 4.744 4.460 0.002 0.000 0.261 32 C C 2.117 177.168 174.990 0.102 0.000 1.590 32 C CA -0.251 58.891 59.018 0.207 0.000 1.668 32 C CB -1.450 26.413 27.740 0.204 0.000 2.962 32 C HN 0.680 nan 8.230 nan 0.000 0.525 33 R N 0.915 121.465 120.500 0.084 0.000 2.094 33 R HA -0.125 4.216 4.340 0.002 0.000 0.239 33 R C 2.089 178.378 176.300 -0.018 0.000 1.137 33 R CA 1.826 57.946 56.100 0.033 0.000 0.943 33 R CB -0.450 29.872 30.300 0.036 0.000 0.850 33 R HN 0.471 nan 8.270 nan 0.000 0.433 34 V N 0.573 120.478 119.914 -0.014 0.000 2.287 34 V HA -0.282 3.839 4.120 0.002 0.000 0.248 34 V C 2.293 178.193 176.094 -0.323 0.000 1.053 34 V CA 2.052 64.295 62.300 -0.094 0.000 1.027 34 V CB -0.933 30.893 31.823 0.005 0.000 0.646 34 V HN 0.506 nan 8.190 nan 0.000 0.447 35 A N -0.922 121.714 122.820 -0.306 0.000 2.024 35 A HA -0.181 4.140 4.320 0.002 0.000 0.220 35 A C 2.078 179.469 177.584 -0.321 0.000 1.164 35 A CA 1.482 53.199 52.037 -0.533 0.000 0.643 35 A CB -0.305 18.689 19.000 -0.010 0.000 0.806 35 A HN 0.403 nan 8.150 nan 0.000 0.451 36 K N -0.344 119.959 120.400 -0.161 0.000 2.404 36 K HA 0.285 4.606 4.320 0.002 0.000 0.194 36 K C 0.026 176.568 176.600 -0.096 0.000 1.023 36 K CA -0.081 56.151 56.287 -0.091 0.000 1.094 36 K CB -0.217 32.266 32.500 -0.028 0.000 0.841 36 K HN 0.468 nan 8.250 nan 0.000 0.523 37 L N 1.821 122.957 121.223 -0.144 0.000 2.456 37 L HA 0.032 4.373 4.340 0.002 0.000 0.272 37 L C -1.178 175.638 176.870 -0.090 0.000 1.189 37 L CA -1.311 53.466 54.840 -0.104 0.000 0.846 37 L CB 0.279 42.269 42.059 -0.115 0.000 1.111 37 L HN -0.131 nan 8.230 nan 0.000 0.475 38 P HA -0.237 nan 4.420 nan 0.000 0.216 38 P C 1.139 178.421 177.300 -0.030 0.000 1.154 38 P CA 1.504 64.585 63.100 -0.033 0.000 0.865 38 P CB 0.074 31.762 31.700 -0.019 0.000 0.789 39 K N -1.566 118.814 120.400 -0.033 0.000 2.362 39 K HA -0.037 4.284 4.320 0.002 0.000 0.200 39 K C 1.031 177.622 176.600 -0.014 0.000 1.046 39 K CA 1.242 57.520 56.287 -0.016 0.000 0.952 39 K CB -0.503 31.991 32.500 -0.009 0.000 0.753 39 K HN 0.076 nan 8.250 nan 0.000 0.466 40 N N 1.271 119.931 118.700 -0.066 0.000 2.230 40 N HA 0.013 4.754 4.740 0.002 0.000 0.202 40 N C 0.825 176.319 175.510 -0.026 0.000 1.119 40 N CA 0.181 53.189 53.050 -0.069 0.000 0.851 40 N CB 0.632 38.900 38.487 -0.365 0.000 0.990 40 N HN 0.331 nan 8.380 nan 0.000 0.497 41 K N 1.802 122.190 120.400 -0.020 0.000 2.032 41 K HA -0.132 4.189 4.320 0.002 0.000 0.209 41 K C 1.019 177.634 176.600 0.025 0.000 1.048 41 K CA 1.496 57.782 56.287 -0.001 0.000 0.927 41 K CB 0.087 32.586 32.500 -0.003 0.000 0.712 41 K HN 0.170 nan 8.250 nan 0.000 0.441 42 N N 0.285 119.006 118.700 0.034 0.000 2.501 42 N HA -0.077 4.664 4.740 0.002 0.000 0.195 42 N C 0.584 176.133 175.510 0.065 0.000 1.213 42 N CA 0.453 53.526 53.050 0.038 0.000 0.864 42 N CB 0.096 38.604 38.487 0.034 0.000 0.999 42 N HN 0.192 nan 8.380 nan 0.000 0.454 43 R N -0.852 119.715 120.500 0.111 0.000 2.397 43 R HA 0.231 4.572 4.340 0.002 0.000 0.241 43 R C -0.530 175.866 176.300 0.160 0.000 0.914 43 R CA -0.202 56.002 56.100 0.174 0.000 1.071 43 R CB 0.216 30.709 30.300 0.322 0.000 1.116 43 R HN 0.181 nan 8.270 nan 0.000 0.524 44 N N 0.878 119.646 118.700 0.113 0.000 2.372 44 N HA 0.135 4.877 4.740 0.002 0.000 0.291 44 N C 0.134 175.626 175.510 -0.030 0.000 1.024 44 N CA -0.234 52.863 53.050 0.078 0.000 0.873 44 N CB 2.234 40.786 38.487 0.109 0.000 1.206 44 N HN -0.004 nan 8.380 nan 0.000 0.486 45 R N 1.614 122.041 120.500 -0.121 0.000 2.093 45 R HA 0.045 4.386 4.340 0.002 0.000 0.224 45 R C -0.409 175.578 176.300 -0.522 0.000 1.101 45 R CA 1.156 57.033 56.100 -0.371 0.000 0.979 45 R CB 0.247 30.227 30.300 -0.532 0.000 0.877 45 R HN 0.484 nan 8.270 nan 0.000 0.441 46 Y N -0.356 119.959 120.300 0.025 0.000 2.361 46 Y HA 0.321 4.872 4.550 0.002 0.000 0.337 46 Y C 0.756 176.674 175.900 0.030 0.000 0.965 46 Y CA -1.089 57.028 58.100 0.028 0.000 1.091 46 Y CB 1.536 40.010 38.460 0.024 0.000 1.182 46 Y HN -0.167 nan 8.280 nan 0.000 0.450 47 R N 0.872 121.483 120.500 0.184 0.000 2.105 47 R HA -0.155 4.186 4.340 0.002 0.000 0.239 47 R C -0.126 176.237 176.300 0.105 0.000 1.135 47 R CA 2.022 58.190 56.100 0.113 0.000 0.967 47 R CB 0.146 30.498 30.300 0.088 0.000 0.861 47 R HN 0.740 nan 8.270 nan 0.000 0.442 48 D N -0.106 120.364 120.400 0.118 0.000 2.342 48 D HA 0.091 4.732 4.640 0.002 0.000 0.221 48 D C -0.666 175.673 176.300 0.065 0.000 1.101 48 D CA 0.217 54.264 54.000 0.078 0.000 0.837 48 D CB 0.942 41.776 40.800 0.057 0.000 0.938 48 D HN -0.034 nan 8.370 nan 0.000 0.508 49 V N 0.899 120.870 119.914 0.096 0.000 2.419 49 V HA 0.341 4.462 4.120 0.002 0.000 0.287 49 V C -0.221 175.913 176.094 0.066 0.000 1.017 49 V CA -0.495 61.842 62.300 0.062 0.000 0.844 49 V CB 1.657 33.526 31.823 0.077 0.000 1.011 49 V HN -0.111 nan 8.190 nan 0.000 0.429 50 S N 6.020 121.729 115.700 0.015 0.000 2.599 50 S HA 0.723 5.194 4.470 0.002 0.000 0.287 50 S C -2.938 171.620 174.600 -0.070 0.000 1.105 50 S CA -1.229 56.992 58.200 0.034 0.000 0.899 50 S CB 2.867 66.112 63.200 0.074 0.000 1.100 50 S HN 0.571 nan 8.310 nan 0.000 0.482 51 P HA 0.407 nan 4.420 nan 0.000 0.284 51 P C -1.051 176.248 177.300 -0.002 0.000 1.253 51 P CA -0.480 62.567 63.100 -0.088 0.000 0.800 51 P CB 0.288 31.988 31.700 0.000 0.000 0.961 52 F N 1.233 121.212 119.950 0.048 0.000 2.459 52 F HA 0.046 4.574 4.527 0.002 0.000 0.346 52 F C 1.941 177.736 175.800 -0.007 0.000 1.128 52 F CA 0.145 58.174 58.000 0.048 0.000 1.268 52 F CB -0.327 38.687 39.000 0.024 0.000 1.161 52 F HN 0.311 nan 8.300 nan 0.000 0.583 53 D N 0.262 120.818 120.400 0.258 0.000 2.144 53 D HA -0.222 4.419 4.640 0.002 0.000 0.199 53 D C 1.997 178.360 176.300 0.106 0.000 0.984 53 D CA 2.075 56.170 54.000 0.158 0.000 0.834 53 D CB -0.429 40.456 40.800 0.142 0.000 0.955 53 D HN 0.793 nan 8.370 nan 0.000 0.465 54 H N 0.251 119.359 119.070 0.065 0.000 2.491 54 H HA 0.030 4.587 4.556 0.002 0.000 0.290 54 H C 1.353 176.714 175.328 0.055 0.000 1.050 54 H CA 1.712 57.754 56.048 -0.011 0.000 1.309 54 H CB -0.091 29.554 29.762 -0.194 0.000 1.392 54 H HN 0.042 nan 8.280 nan 0.000 0.554 55 S N 0.126 115.574 115.700 -0.419 0.000 2.730 55 S HA 0.162 4.633 4.470 0.002 0.000 0.244 55 S C 0.620 175.202 174.600 -0.031 0.000 1.022 55 S CA -0.845 57.257 58.200 -0.162 0.000 1.014 55 S CB 0.003 63.109 63.200 -0.157 0.000 0.963 55 S HN 0.618 nan 8.310 nan 0.000 0.540 56 R N 1.157 121.650 120.500 -0.012 0.000 2.641 56 R HA 0.384 4.725 4.340 0.002 0.000 0.269 56 R C -0.395 175.904 176.300 -0.002 0.000 1.074 56 R CA -0.592 55.511 56.100 0.004 0.000 1.133 56 R CB 0.222 30.556 30.300 0.057 0.000 1.029 56 R HN 0.120 nan 8.270 nan 0.000 0.488 57 I N 2.645 123.189 120.570 -0.043 0.000 2.416 57 I HA 0.140 4.311 4.170 0.002 0.000 0.288 57 I C 0.369 176.459 176.117 -0.045 0.000 1.051 57 I CA -0.287 60.985 61.300 -0.046 0.000 1.375 57 I CB 1.031 38.974 38.000 -0.094 0.000 1.407 57 I HN 0.626 nan 8.210 nan 0.000 0.516 58 K N 6.809 127.217 120.400 0.015 0.000 2.183 58 K HA 0.523 4.844 4.320 0.002 0.000 0.274 58 K C -0.560 176.079 176.600 0.065 0.000 1.009 58 K CA -0.708 55.606 56.287 0.045 0.000 0.888 58 K CB 1.714 34.267 32.500 0.088 0.000 1.078 58 K HN 0.408 nan 8.250 nan 0.000 0.459 59 L N 3.133 124.360 121.223 0.005 0.000 2.417 59 L HA 0.137 4.478 4.340 0.002 0.000 0.268 59 L C 0.544 177.499 176.870 0.140 0.000 1.158 59 L CA -0.291 54.533 54.840 -0.026 0.000 0.819 59 L CB 0.236 42.239 42.059 -0.092 0.000 1.112 59 L HN 0.590 nan 8.230 nan 0.000 0.458 60 H N 2.739 121.812 119.070 0.006 0.000 2.799 60 H HA 0.151 4.708 4.556 0.001 0.000 0.225 60 H C -0.520 174.820 175.328 0.019 0.000 1.904 60 H CA -0.486 55.574 56.048 0.020 0.000 1.344 60 H CB -0.047 29.740 29.762 0.041 0.000 1.744 60 H HN 0.481 nan 8.280 nan 0.000 0.542 61 Q N -0.054 119.815 119.800 0.116 0.000 2.295 61 Q HA 0.211 4.552 4.340 0.002 0.000 0.268 61 Q C -0.299 175.728 176.000 0.044 0.000 1.010 61 Q CA -0.859 54.984 55.803 0.066 0.000 0.856 61 Q CB 1.571 30.334 28.738 0.042 0.000 1.349 61 Q HN 0.316 nan 8.270 nan 0.000 0.412 62 E N 1.557 121.779 120.200 0.037 0.000 2.204 62 E HA -0.225 4.126 4.350 0.002 0.000 0.194 62 E C 0.469 177.084 176.600 0.024 0.000 0.989 62 E CA 1.468 57.885 56.400 0.028 0.000 0.824 62 E CB 0.147 29.861 29.700 0.024 0.000 0.756 62 E HN 0.766 nan 8.360 nan 0.000 0.477 63 D N 1.065 121.479 120.400 0.024 0.000 2.119 63 D HA -0.138 4.503 4.640 0.002 0.000 0.199 63 D C 0.403 176.713 176.300 0.017 0.000 0.987 63 D CA 1.133 55.146 54.000 0.022 0.000 0.858 63 D CB 0.171 40.987 40.800 0.026 0.000 1.008 63 D HN -0.064 nan 8.370 nan 0.000 0.450 64 N N -0.662 118.041 118.700 0.004 0.000 2.454 64 N HA 0.104 4.845 4.740 0.002 0.000 0.291 64 N C -1.559 173.936 175.510 -0.024 0.000 1.079 64 N CA -0.415 52.636 53.050 0.002 0.000 0.893 64 N CB 1.599 40.085 38.487 -0.001 0.000 1.512 64 N HN 0.117 nan 8.380 nan 0.000 0.497 65 D N 1.948 122.359 120.400 0.019 0.000 2.358 65 D HA 0.012 4.653 4.640 0.002 0.000 0.224 65 D C -0.229 176.082 176.300 0.019 0.000 1.123 65 D CA -0.105 53.901 54.000 0.011 0.000 0.833 65 D CB -0.532 40.297 40.800 0.049 0.000 0.946 65 D HN 0.369 nan 8.370 nan 0.000 0.505 66 Y N 0.902 121.145 120.300 -0.096 0.000 2.308 66 Y HA 0.522 5.073 4.550 0.001 0.000 0.329 66 Y C -0.740 175.100 175.900 -0.101 0.000 1.111 66 Y CA -1.108 56.947 58.100 -0.076 0.000 1.179 66 Y CB 0.729 39.163 38.460 -0.045 0.000 1.201 66 Y HN 0.031 nan 8.280 nan 0.000 0.483 67 I N 6.044 126.004 120.570 -1.016 0.000 2.752 67 I HA 0.247 4.418 4.170 0.002 0.000 0.295 67 I C -1.321 174.218 176.117 -0.963 0.000 1.219 67 I CA -0.849 59.989 61.300 -0.769 0.000 1.030 67 I CB 1.705 39.493 38.000 -0.352 0.000 1.259 67 I HN 0.659 nan 8.210 nan 0.000 0.423 68 N N 6.390 124.723 118.700 -0.611 0.000 2.671 68 N HA 0.443 5.184 4.740 0.002 0.000 0.274 68 N C -1.158 174.239 175.510 -0.189 0.000 1.188 68 N CA 0.257 53.121 53.050 -0.310 0.000 1.065 68 N CB 0.201 38.646 38.487 -0.070 0.000 1.415 68 N HN 0.648 nan 8.380 nan 0.000 0.511 69 A N 1.328 124.032 122.820 -0.195 0.000 2.574 69 A HA 0.666 4.987 4.320 0.002 0.000 0.297 69 A C -0.872 176.660 177.584 -0.088 0.000 1.062 69 A CA -0.628 51.335 52.037 -0.123 0.000 0.686 69 A CB 1.261 20.176 19.000 -0.142 0.000 1.285 69 A HN 0.345 nan 8.150 nan 0.000 0.403 70 S N 1.174 116.845 115.700 -0.048 0.000 2.566 70 S HA 0.686 5.157 4.470 0.002 0.000 0.298 70 S C -0.938 173.672 174.600 0.017 0.000 1.083 70 S CA -0.645 57.547 58.200 -0.013 0.000 0.978 70 S CB 1.656 64.853 63.200 -0.004 0.000 1.073 70 S HN 0.788 nan 8.310 nan 0.000 0.491 71 L N 3.126 124.372 121.223 0.039 0.000 2.277 71 L HA 0.505 4.846 4.340 0.002 0.000 0.284 71 L C -1.597 175.264 176.870 -0.014 0.000 1.028 71 L CA -0.607 54.243 54.840 0.016 0.000 0.835 71 L CB 0.192 42.253 42.059 0.003 0.000 1.215 71 L HN 0.588 nan 8.230 nan 0.000 0.425 72 I N 5.505 126.056 120.570 -0.032 0.000 2.294 72 I HA 0.169 4.340 4.170 0.002 0.000 0.295 72 I C 0.456 176.338 176.117 -0.391 0.000 1.098 72 I CA 0.235 61.419 61.300 -0.194 0.000 1.277 72 I CB 0.534 38.583 38.000 0.083 0.000 1.434 72 I HN 0.436 nan 8.210 nan 0.000 0.498 73 K N 7.048 126.879 120.400 -0.949 0.000 2.299 73 K HA 0.392 4.713 4.320 0.002 0.000 0.268 73 K C -0.682 175.618 176.600 -0.499 0.000 1.075 73 K CA -0.549 55.396 56.287 -0.571 0.000 0.936 73 K CB 0.479 32.750 32.500 -0.381 0.000 1.228 73 K HN 0.313 nan 8.250 nan 0.000 0.454 74 M N 4.057 123.533 119.600 -0.206 0.000 2.497 74 M HA 0.046 4.527 4.480 0.002 0.000 0.336 74 M C 0.984 177.272 176.300 -0.020 0.000 1.378 74 M CA 0.193 55.465 55.300 -0.047 0.000 1.375 74 M CB 0.123 32.753 32.600 0.051 0.000 1.337 74 M HN 0.746 nan 8.290 nan 0.000 0.461 75 E N 2.683 122.892 120.200 0.014 0.000 2.048 75 E HA -0.270 4.081 4.350 0.002 0.000 0.202 75 E C 1.520 178.134 176.600 0.023 0.000 1.021 75 E CA 2.215 58.631 56.400 0.026 0.000 0.825 75 E CB 0.187 29.927 29.700 0.066 0.000 0.756 75 E HN 0.763 nan 8.360 nan 0.000 0.454 76 E N -0.431 119.793 120.200 0.041 0.000 2.051 76 E HA -0.199 4.152 4.350 0.002 0.000 0.192 76 E C 1.886 178.498 176.600 0.021 0.000 0.991 76 E CA 1.103 57.523 56.400 0.034 0.000 0.799 76 E CB -0.191 29.537 29.700 0.046 0.000 0.748 76 E HN 0.359 nan 8.360 nan 0.000 0.449 77 A N 0.106 122.941 122.820 0.024 0.000 2.066 77 A HA -0.096 4.225 4.320 0.002 0.000 0.218 77 A C 0.858 178.435 177.584 -0.012 0.000 1.157 77 A CA 0.986 53.032 52.037 0.015 0.000 0.670 77 A CB -0.117 18.905 19.000 0.037 0.000 0.804 77 A HN 0.440 nan 8.150 nan 0.000 0.453 78 Q N -1.878 117.908 119.800 -0.024 0.000 2.481 78 Q HA -0.193 4.148 4.340 0.002 0.000 0.283 78 Q C -0.068 175.877 176.000 -0.091 0.000 1.292 78 Q CA 1.032 56.804 55.803 -0.051 0.000 0.819 78 Q CB -1.381 27.333 28.738 -0.040 0.000 1.202 78 Q HN 0.773 nan 8.270 nan 0.000 0.446 79 R N -0.114 120.311 120.500 -0.125 0.000 2.604 79 R HA 0.625 4.966 4.340 0.002 0.000 0.281 79 R C -1.287 174.794 176.300 -0.366 0.000 1.020 79 R CA -0.338 55.612 56.100 -0.249 0.000 0.899 79 R CB 1.911 32.058 30.300 -0.255 0.000 1.205 79 R HN 0.043 nan 8.270 nan 0.000 0.450 80 S N 2.081 117.499 115.700 -0.470 0.000 2.568 80 S HA 0.640 5.111 4.470 0.002 0.000 0.302 80 S C -1.601 172.599 174.600 -0.666 0.000 1.082 80 S CA -0.457 57.492 58.200 -0.419 0.000 1.009 80 S CB 0.944 64.010 63.200 -0.224 0.000 1.069 80 S HN 0.429 nan 8.310 nan 0.000 0.500 81 Y N 0.051 120.320 120.300 -0.051 0.000 2.576 81 Y HA 0.598 5.149 4.550 0.001 0.000 0.346 81 Y C -0.280 175.600 175.900 -0.034 0.000 1.018 81 Y CA -1.170 56.922 58.100 -0.014 0.000 1.050 81 Y CB 0.792 39.274 38.460 0.037 0.000 1.280 81 Y HN 0.410 nan 8.280 nan 0.000 0.474 82 I N 3.507 124.152 120.570 0.125 0.000 2.337 82 I HA 0.216 4.387 4.170 0.002 0.000 0.285 82 I C -1.220 174.930 176.117 0.055 0.000 1.041 82 I CA -0.512 60.815 61.300 0.045 0.000 1.199 82 I CB 0.587 38.565 38.000 -0.038 0.000 1.370 82 I HN 0.274 nan 8.210 nan 0.000 0.470 83 L N 6.286 127.539 121.223 0.050 0.000 2.260 83 L HA 0.438 4.779 4.340 0.002 0.000 0.289 83 L C 0.362 177.233 176.870 0.002 0.000 1.057 83 L CA 0.500 55.357 54.840 0.029 0.000 0.811 83 L CB 1.214 43.284 42.059 0.018 0.000 1.184 83 L HN 0.495 nan 8.230 nan 0.000 0.429 84 T N 2.257 116.821 114.554 0.017 0.000 2.901 84 T HA 0.490 4.841 4.350 0.002 0.000 0.293 84 T C -0.650 174.052 174.700 0.003 0.000 1.084 84 T CA -0.693 61.402 62.100 -0.008 0.000 1.008 84 T CB 1.274 70.128 68.868 -0.022 0.000 1.170 84 T HN 0.653 nan 8.240 nan 0.000 0.509 85 Q N 1.187 120.965 119.800 -0.036 0.000 2.396 85 Q HA 0.558 4.899 4.340 0.002 0.000 0.221 85 Q C 0.540 176.441 176.000 -0.165 0.000 1.025 85 Q CA -0.848 54.934 55.803 -0.035 0.000 0.946 85 Q CB 0.132 28.859 28.738 -0.020 0.000 1.224 85 Q HN 0.728 nan 8.270 nan 0.000 0.539 86 G N 1.679 110.391 108.800 -0.147 0.000 2.343 86 G HA2 0.297 4.258 3.960 0.002 0.000 0.254 86 G HA3 0.297 4.258 3.960 0.002 0.000 0.254 86 G C -2.388 172.305 174.900 -0.344 0.000 1.277 86 G CA -1.029 43.875 45.100 -0.327 0.000 0.909 86 G HN 0.455 nan 8.290 nan 0.000 0.502 87 P HA 0.040 nan 4.420 nan 0.000 0.264 87 P C 0.172 177.348 177.300 -0.207 0.000 1.183 87 P CA 0.141 62.992 63.100 -0.414 0.000 0.763 87 P CB 0.649 31.926 31.700 -0.704 0.000 0.807 88 L N 6.200 127.334 121.223 -0.147 0.000 2.454 88 L HA 0.275 4.616 4.340 0.002 0.000 0.256 88 L C -1.133 175.697 176.870 -0.066 0.000 1.136 88 L CA -1.914 52.870 54.840 -0.094 0.000 0.804 88 L CB 0.405 42.419 42.059 -0.076 0.000 1.181 88 L HN 0.289 nan 8.230 nan 0.000 0.469 89 P HA -0.154 nan 4.420 nan 0.000 0.217 89 P C 0.556 177.843 177.300 -0.022 0.000 1.148 89 P CA 1.213 64.304 63.100 -0.016 0.000 0.828 89 P CB 0.012 31.704 31.700 -0.013 0.000 0.783 90 N N -1.998 116.674 118.700 -0.047 0.000 2.280 90 N HA -0.000 4.741 4.740 0.002 0.000 0.192 90 N C 0.633 176.011 175.510 -0.220 0.000 1.109 90 N CA 0.875 53.879 53.050 -0.077 0.000 0.855 90 N CB -0.796 37.675 38.487 -0.027 0.000 0.974 90 N HN 0.155 nan 8.380 nan 0.000 0.482 91 T N -4.010 110.420 114.554 -0.206 0.000 3.132 91 T HA 0.243 4.594 4.350 0.002 0.000 0.274 91 T C 1.452 175.994 174.700 -0.263 0.000 1.011 91 T CA -0.318 61.590 62.100 -0.319 0.000 0.899 91 T CB -0.899 67.934 68.868 -0.057 0.000 1.089 91 T HN 0.099 nan 8.240 nan 0.000 0.543 92 C N 1.565 120.746 119.300 -0.198 0.000 2.440 92 C HA 0.176 4.637 4.460 0.002 0.000 0.278 92 C C 3.064 177.845 174.990 -0.348 0.000 1.295 92 C CA 0.823 59.728 59.018 -0.188 0.000 1.738 92 C CB -1.323 26.454 27.740 0.062 0.000 1.987 92 C HN 0.763 nan 8.230 nan 0.000 0.492 93 G N -0.224 108.383 108.800 -0.321 0.000 2.446 93 G HA2 -0.222 3.740 3.960 0.002 0.000 0.217 93 G HA3 -0.222 3.740 3.960 0.002 0.000 0.217 93 G C 1.127 175.987 174.900 -0.066 0.000 1.168 93 G CA 1.003 45.962 45.100 -0.235 0.000 0.771 93 G HN 0.743 nan 8.290 nan 0.000 0.551 94 H N -1.161 117.868 119.070 -0.068 0.000 2.352 94 H HA -0.072 4.484 4.556 0.001 0.000 0.299 94 H C 2.265 177.507 175.328 -0.143 0.000 1.097 94 H CA 1.068 57.067 56.048 -0.082 0.000 1.311 94 H CB -0.187 29.528 29.762 -0.078 0.000 1.377 94 H HN 0.361 nan 8.280 nan 0.000 0.504 95 F N 0.598 120.401 119.950 -0.245 0.000 2.091 95 F HA -0.273 4.255 4.527 0.001 0.000 0.299 95 F C 1.614 177.124 175.800 -0.484 0.000 1.103 95 F CA 1.551 59.265 58.000 -0.478 0.000 1.228 95 F CB -0.459 38.073 39.000 -0.781 0.000 0.984 95 F HN 0.121 nan 8.300 nan 0.000 0.477 96 W N 0.658 121.867 121.300 -0.151 0.000 2.519 96 W HA -0.026 4.634 4.660 0.001 0.000 0.266 96 W C 2.511 178.974 176.519 -0.092 0.000 1.253 96 W CA 0.920 58.176 57.345 -0.149 0.000 1.274 96 W CB -0.409 28.978 29.460 -0.121 0.000 1.114 96 W HN 0.126 nan 8.180 nan 0.000 0.596 97 E N 0.799 121.045 120.200 0.076 0.000 2.047 97 E HA -0.275 4.076 4.350 0.002 0.000 0.191 97 E C 2.149 178.746 176.600 -0.005 0.000 0.987 97 E CA 1.499 57.940 56.400 0.067 0.000 0.799 97 E CB -0.319 29.402 29.700 0.034 0.000 0.752 97 E HN 0.280 nan 8.360 nan 0.000 0.449 98 M N 0.391 119.902 119.600 -0.149 0.000 2.086 98 M HA -0.166 4.315 4.480 0.002 0.000 0.261 98 M C 2.125 178.296 176.300 -0.214 0.000 1.067 98 M CA 1.365 56.528 55.300 -0.229 0.000 1.116 98 M CB -0.012 32.396 32.600 -0.319 0.000 1.348 98 M HN 0.060 nan 8.290 nan 0.000 0.407 99 V N 0.146 119.893 119.914 -0.278 0.000 2.324 99 V HA -0.328 3.793 4.120 0.002 0.000 0.250 99 V C 2.138 178.242 176.094 0.017 0.000 1.060 99 V CA 2.313 64.511 62.300 -0.169 0.000 1.042 99 V CB -1.069 30.693 31.823 -0.102 0.000 0.650 99 V HN 0.776 nan 8.190 nan 0.000 0.450 100 W N 1.111 122.393 121.300 -0.030 0.000 2.407 100 W HA -0.115 4.547 4.660 0.003 0.000 0.305 100 W C 2.323 178.815 176.519 -0.046 0.000 1.196 100 W CA 1.852 59.197 57.345 0.001 0.000 1.311 100 W CB -0.169 29.312 29.460 0.034 0.000 1.135 100 W HN 0.376 nan 8.180 nan 0.000 0.514 101 E N -0.096 120.161 120.200 0.094 0.000 2.106 101 E HA -0.237 4.114 4.350 0.002 0.000 0.192 101 E C 1.936 178.462 176.600 -0.122 0.000 0.984 101 E CA 1.009 57.366 56.400 -0.072 0.000 0.806 101 E CB -0.296 29.146 29.700 -0.429 0.000 0.750 101 E HN 0.167 nan 8.360 nan 0.000 0.458 102 Q N 0.372 120.092 119.800 -0.133 0.000 2.444 102 Q HA 0.025 4.366 4.340 0.002 0.000 0.206 102 Q C 0.037 175.973 176.000 -0.107 0.000 0.948 102 Q CA 0.326 56.068 55.803 -0.101 0.000 0.946 102 Q CB 0.224 28.896 28.738 -0.109 0.000 1.027 102 Q HN 0.226 nan 8.270 nan 0.000 0.513 103 K N 0.151 120.451 120.400 -0.167 0.000 3.129 103 K HA -0.106 4.215 4.320 0.002 0.000 0.273 103 K C -0.562 175.973 176.600 -0.108 0.000 1.123 103 K CA 0.334 56.508 56.287 -0.190 0.000 0.800 103 K CB -1.893 30.521 32.500 -0.144 0.000 1.238 103 K HN 0.063 nan 8.250 nan 0.000 0.492 104 S N 0.445 116.089 115.700 -0.093 0.000 2.562 104 S HA 0.129 4.600 4.470 0.002 0.000 0.281 104 S C 1.262 175.830 174.600 -0.053 0.000 1.333 104 S CA -0.638 57.529 58.200 -0.055 0.000 1.052 104 S CB 1.608 64.772 63.200 -0.060 0.000 0.884 104 S HN 0.273 nan 8.310 nan 0.000 0.506 105 R N 1.428 121.877 120.500 -0.085 0.000 2.221 105 R HA 0.178 4.519 4.340 0.002 0.000 0.195 105 R C 0.653 176.939 176.300 -0.023 0.000 0.956 105 R CA 0.396 56.390 56.100 -0.176 0.000 1.064 105 R CB 0.066 29.989 30.300 -0.628 0.000 1.049 105 R HN 0.721 nan 8.270 nan 0.000 0.534 106 G N 0.191 109.024 108.800 0.054 0.000 2.519 106 G HA2 0.533 4.494 3.960 0.002 0.000 0.307 106 G HA3 0.533 4.494 3.960 0.002 0.000 0.307 106 G C -1.612 173.408 174.900 0.199 0.000 1.266 106 G CA -0.323 44.900 45.100 0.205 0.000 0.970 106 G HN -0.035 nan 8.290 nan 0.000 0.481 107 V N 1.134 121.206 119.914 0.263 0.000 2.525 107 V HA 0.452 4.573 4.120 0.002 0.000 0.299 107 V C -0.433 175.724 176.094 0.105 0.000 1.034 107 V CA -0.652 61.774 62.300 0.211 0.000 0.863 107 V CB 1.741 33.786 31.823 0.370 0.000 0.999 107 V HN 0.591 nan 8.190 nan 0.000 0.423 108 V N 5.936 125.858 119.914 0.012 0.000 2.398 108 V HA 0.522 4.643 4.120 0.002 0.000 0.286 108 V C -0.097 175.785 176.094 -0.353 0.000 1.026 108 V CA -0.394 61.839 62.300 -0.112 0.000 0.868 108 V CB 1.611 33.282 31.823 -0.255 0.000 0.982 108 V HN 0.902 nan 8.190 nan 0.000 0.443 109 M N 5.785 125.136 119.600 -0.415 0.000 2.078 109 M HA 0.494 4.975 4.480 0.002 0.000 0.320 109 M C -0.528 175.584 176.300 -0.313 0.000 0.969 109 M CA -0.441 54.464 55.300 -0.659 0.000 0.929 109 M CB 1.107 33.311 32.600 -0.659 0.000 1.504 109 M HN 0.591 nan 8.290 nan 0.000 0.419 110 L N 4.077 125.064 121.223 -0.394 0.000 2.700 110 L HA 0.290 4.631 4.340 0.002 0.000 0.234 110 L C -0.148 176.595 176.870 -0.212 0.000 1.156 110 L CA -0.205 54.452 54.840 -0.305 0.000 0.946 110 L CB -0.675 41.036 42.059 -0.580 0.000 1.216 110 L HN 0.735 nan 8.230 nan 0.000 0.493 111 N N -0.979 117.681 118.700 -0.068 0.000 2.697 111 N HA 0.559 5.300 4.740 0.002 0.000 0.272 111 N C -0.679 175.003 175.510 0.287 0.000 1.381 111 N CA -1.019 52.062 53.050 0.052 0.000 0.797 111 N CB 1.337 39.828 38.487 0.007 0.000 1.523 111 N HN -0.123 nan 8.380 nan 0.000 0.518 112 R N -0.138 120.520 120.500 0.263 0.000 2.732 112 R HA 0.415 4.756 4.340 0.002 0.000 0.278 112 R C 0.584 177.039 176.300 0.259 0.000 0.976 112 R CA -1.006 55.296 56.100 0.337 0.000 0.963 112 R CB 1.791 32.230 30.300 0.232 0.000 1.150 112 R HN 0.373 nan 8.270 nan 0.000 0.478 113 V N 1.353 121.433 119.914 0.277 0.000 2.324 113 V HA -0.205 3.916 4.120 0.002 0.000 0.250 113 V C 1.061 177.231 176.094 0.126 0.000 1.060 113 V CA 1.720 64.131 62.300 0.184 0.000 1.042 113 V CB -0.262 31.637 31.823 0.126 0.000 0.650 113 V HN 0.653 nan 8.190 nan 0.000 0.450 114 M N 0.197 119.868 119.600 0.118 0.000 2.243 114 M HA 0.437 4.918 4.480 0.002 0.000 0.324 114 M C -1.162 175.196 176.300 0.098 0.000 1.031 114 M CA -0.109 55.246 55.300 0.092 0.000 0.949 114 M CB 1.519 34.160 32.600 0.068 0.000 1.615 114 M HN 0.198 nan 8.290 nan 0.000 0.430 115 E N 4.152 124.409 120.200 0.095 0.000 2.256 115 E HA 0.321 4.672 4.350 0.002 0.000 0.268 115 E C -0.997 175.656 176.600 0.089 0.000 0.877 115 E CA -0.882 55.576 56.400 0.096 0.000 0.757 115 E CB 1.787 31.550 29.700 0.105 0.000 1.183 115 E HN 0.676 nan 8.360 nan 0.000 0.418 116 K N 1.188 121.634 120.400 0.077 0.000 3.071 116 K HA -0.304 4.017 4.320 0.002 0.000 0.262 116 K C 0.709 177.343 176.600 0.056 0.000 0.977 116 K CA 0.682 57.007 56.287 0.064 0.000 0.721 116 K CB -1.531 31.011 32.500 0.070 0.000 1.293 116 K HN 1.104 nan 8.250 nan 0.000 0.475 117 G N -1.185 107.647 108.800 0.053 0.000 2.179 117 G HA2 -0.339 3.622 3.960 0.002 0.000 0.260 117 G HA3 -0.339 3.622 3.960 0.002 0.000 0.260 117 G C 0.090 175.019 174.900 0.048 0.000 0.977 117 G CA 0.450 45.576 45.100 0.045 0.000 0.641 117 G HN 0.412 nan 8.290 nan 0.000 0.533 118 S N -0.428 115.309 115.700 0.062 0.000 2.549 118 S HA 0.691 5.162 4.470 0.002 0.000 0.297 118 S C 0.339 174.978 174.600 0.064 0.000 1.115 118 S CA -0.626 57.613 58.200 0.065 0.000 1.059 118 S CB 1.195 64.448 63.200 0.089 0.000 1.046 118 S HN 0.383 nan 8.310 nan 0.000 0.506 119 L N 4.311 125.562 121.223 0.048 0.000 2.356 119 L HA 0.290 4.631 4.340 0.002 0.000 0.282 119 L C 1.192 178.088 176.870 0.044 0.000 1.132 119 L CA -0.275 54.590 54.840 0.041 0.000 0.923 119 L CB 0.221 42.292 42.059 0.019 0.000 1.278 119 L HN 0.514 nan 8.230 nan 0.000 0.436 120 K N 1.014 121.458 120.400 0.073 0.000 2.459 120 K HA 0.116 4.437 4.320 0.002 0.000 0.193 120 K C 0.063 176.701 176.600 0.062 0.000 1.030 120 K CA 0.237 56.576 56.287 0.086 0.000 1.026 120 K CB 0.180 32.750 32.500 0.118 0.000 0.809 120 K HN 0.562 nan 8.250 nan 0.000 0.504 121 C N -0.317 119.020 119.300 0.062 0.000 3.247 121 C HA 0.592 5.053 4.460 0.002 0.000 0.375 121 C C -0.750 174.278 174.990 0.064 0.000 1.102 121 C CA -1.038 58.018 59.018 0.063 0.000 1.227 121 C CB 0.796 28.634 27.740 0.163 0.000 1.586 121 C HN 0.433 nan 8.230 nan 0.000 0.544 122 A N 3.063 125.910 122.820 0.044 0.000 2.346 122 A HA 0.543 4.864 4.320 0.002 0.000 0.252 122 A C 0.095 177.707 177.584 0.048 0.000 1.089 122 A CA 0.074 52.132 52.037 0.035 0.000 0.797 122 A CB 0.222 19.239 19.000 0.027 0.000 1.047 122 A HN 1.035 nan 8.150 nan 0.000 0.494 123 Q N 0.790 120.541 119.800 -0.082 0.000 2.678 123 Q HA 0.271 4.612 4.340 0.002 0.000 0.222 123 Q C -0.235 175.646 176.000 -0.197 0.000 1.281 123 Q CA 0.163 55.759 55.803 -0.345 0.000 0.994 123 Q CB -0.558 27.948 28.738 -0.387 0.000 1.452 123 Q HN 0.702 nan 8.270 nan 0.000 0.570 124 Y N 0.933 121.240 120.300 0.013 0.000 2.529 124 Y HA 0.289 4.840 4.550 0.001 0.000 0.290 124 Y C -0.580 175.685 175.900 0.609 0.000 1.177 124 Y CA -1.085 57.187 58.100 0.286 0.000 1.305 124 Y CB -0.391 38.120 38.460 0.086 0.000 1.047 124 Y HN 0.398 nan 8.280 nan 0.000 0.522 125 W N 0.724 121.954 121.300 -0.115 0.000 2.936 125 W HA 0.745 5.406 4.660 0.002 0.000 0.338 125 W C -3.160 173.300 176.519 -0.098 0.000 1.121 125 W CA -3.313 54.001 57.345 -0.052 0.000 1.209 125 W CB 0.924 30.220 29.460 -0.274 0.000 1.420 125 W HN -0.312 nan 8.180 nan 0.000 0.516 126 P HA 0.035 nan 4.420 nan 0.000 0.271 126 P C -0.319 176.918 177.300 -0.105 0.000 1.216 126 P CA 0.464 63.486 63.100 -0.131 0.000 0.771 126 P CB 1.721 33.386 31.700 -0.060 0.000 0.864 127 Q N 1.321 121.014 119.800 -0.177 0.000 2.384 127 Q HA 0.096 4.437 4.340 0.002 0.000 0.207 127 Q C 0.078 176.066 176.000 -0.020 0.000 0.904 127 Q CA 0.702 56.454 55.803 -0.085 0.000 0.933 127 Q CB 0.328 28.972 28.738 -0.156 0.000 1.077 127 Q HN 0.488 nan 8.270 nan 0.000 0.522 128 K N -0.290 120.087 120.400 -0.038 0.000 2.513 128 K HA 0.177 4.498 4.320 0.002 0.000 0.251 128 K C -0.450 176.134 176.600 -0.027 0.000 0.939 128 K CA -0.367 55.905 56.287 -0.025 0.000 0.793 128 K CB 1.839 34.317 32.500 -0.036 0.000 1.241 128 K HN -0.164 nan 8.250 nan 0.000 0.431 129 E N 1.395 121.586 120.200 -0.015 0.000 2.114 129 E HA -0.266 4.085 4.350 0.002 0.000 0.199 129 E C 0.796 177.378 176.600 -0.030 0.000 1.008 129 E CA 1.886 58.275 56.400 -0.018 0.000 0.810 129 E CB 0.043 29.736 29.700 -0.012 0.000 0.739 129 E HN 0.523 nan 8.360 nan 0.000 0.456 130 E N 0.490 120.671 120.200 -0.031 0.000 2.265 130 E HA -0.083 4.268 4.350 0.002 0.000 0.196 130 E C 0.165 176.735 176.600 -0.049 0.000 0.996 130 E CA 0.930 57.308 56.400 -0.036 0.000 0.832 130 E CB 0.013 29.693 29.700 -0.033 0.000 0.756 130 E HN 0.069 nan 8.360 nan 0.000 0.491 131 K N 2.311 122.676 120.400 -0.058 0.000 2.484 131 K HA 0.082 4.403 4.320 0.002 0.000 0.226 131 K C -0.340 176.204 176.600 -0.092 0.000 1.031 131 K CA -0.401 55.840 56.287 -0.076 0.000 1.026 131 K CB 0.732 33.184 32.500 -0.081 0.000 1.412 131 K HN 0.119 nan 8.250 nan 0.000 0.492 132 E N 3.459 123.601 120.200 -0.096 0.000 2.369 132 E HA 0.167 4.518 4.350 0.002 0.000 0.255 132 E C -0.385 176.112 176.600 -0.171 0.000 1.172 132 E CA -0.149 56.181 56.400 -0.117 0.000 0.932 132 E CB 0.916 30.553 29.700 -0.105 0.000 1.040 132 E HN 0.278 nan 8.360 nan 0.000 0.454 133 M N 1.149 120.610 119.600 -0.232 0.000 2.436 133 M HA 0.482 4.963 4.480 0.002 0.000 0.331 133 M C -0.423 175.554 176.300 -0.539 0.000 1.135 133 M CA -0.650 54.411 55.300 -0.399 0.000 0.987 133 M CB 1.723 34.053 32.600 -0.450 0.000 1.687 133 M HN 0.386 nan 8.290 nan 0.000 0.445 134 I N 2.508 122.716 120.570 -0.603 0.000 2.466 134 I HA 0.360 4.531 4.170 0.002 0.000 0.289 134 I C -1.398 174.371 176.117 -0.581 0.000 1.026 134 I CA -0.484 60.527 61.300 -0.481 0.000 1.078 134 I CB 1.632 39.491 38.000 -0.235 0.000 1.249 134 I HN 0.541 nan 8.210 nan 0.000 0.429 135 F N 5.114 125.055 119.950 -0.015 0.000 2.303 135 F HA 0.323 4.851 4.527 0.001 0.000 0.368 135 F C 1.448 177.249 175.800 0.002 0.000 1.105 135 F CA -0.498 57.512 58.000 0.016 0.000 1.153 135 F CB 0.562 39.604 39.000 0.070 0.000 1.362 135 F HN 0.507 nan 8.300 nan 0.000 0.511 136 E N 1.343 121.599 120.200 0.095 0.000 2.077 136 E HA -0.230 4.121 4.350 0.002 0.000 0.193 136 E C 1.762 178.413 176.600 0.085 0.000 0.989 136 E CA 1.612 58.047 56.400 0.059 0.000 0.800 136 E CB 0.025 29.741 29.700 0.027 0.000 0.746 136 E HN 0.695 nan 8.360 nan 0.000 0.452 137 D N 0.068 120.538 120.400 0.115 0.000 2.149 137 D HA -0.159 4.482 4.640 0.002 0.000 0.198 137 D C 1.793 178.166 176.300 0.121 0.000 0.990 137 D CA 1.967 56.034 54.000 0.113 0.000 0.839 137 D CB -0.544 40.327 40.800 0.117 0.000 0.948 137 D HN 0.250 nan 8.370 nan 0.000 0.460 138 T N -4.335 110.304 114.554 0.143 0.000 3.054 138 T HA 0.137 4.488 4.350 0.002 0.000 0.255 138 T C 0.492 175.228 174.700 0.059 0.000 1.035 138 T CA 0.033 62.198 62.100 0.109 0.000 0.941 138 T CB -0.399 68.541 68.868 0.120 0.000 1.026 138 T HN 0.093 nan 8.240 nan 0.000 0.533 139 N N 0.549 119.291 118.700 0.070 0.000 2.746 139 N HA -0.106 4.635 4.740 0.002 0.000 0.250 139 N C -1.411 174.081 175.510 -0.029 0.000 1.055 139 N CA 0.219 53.276 53.050 0.012 0.000 0.699 139 N CB -1.554 36.918 38.487 -0.025 0.000 0.919 139 N HN 0.359 nan 8.380 nan 0.000 0.548 140 L N 0.010 121.271 121.223 0.062 0.000 2.354 140 L HA 0.592 4.933 4.340 0.002 0.000 0.264 140 L C 0.333 177.247 176.870 0.072 0.000 1.008 140 L CA -0.575 54.285 54.840 0.034 0.000 0.819 140 L CB 1.782 43.906 42.059 0.108 0.000 1.339 140 L HN 0.170 nan 8.230 nan 0.000 0.420 141 K N 1.476 121.860 120.400 -0.026 0.000 2.316 141 K HA 0.768 5.089 4.320 0.002 0.000 0.251 141 K C -1.773 174.772 176.600 -0.091 0.000 0.934 141 K CA -0.673 55.565 56.287 -0.081 0.000 0.802 141 K CB 2.090 34.534 32.500 -0.093 0.000 1.171 141 K HN 0.414 nan 8.250 nan 0.000 0.426 142 L N 2.433 123.570 121.223 -0.143 0.000 2.409 142 L HA 0.505 4.846 4.340 0.002 0.000 0.272 142 L C -1.472 175.318 176.870 -0.133 0.000 0.980 142 L CA 0.116 54.848 54.840 -0.179 0.000 0.826 142 L CB 2.205 44.101 42.059 -0.271 0.000 1.268 142 L HN 0.636 nan 8.230 nan 0.000 0.407 143 T N 5.042 119.539 114.554 -0.096 0.000 2.841 143 T HA 0.477 4.828 4.350 0.002 0.000 0.283 143 T C -0.943 173.738 174.700 -0.033 0.000 1.000 143 T CA -0.432 61.631 62.100 -0.062 0.000 0.977 143 T CB 1.586 70.425 68.868 -0.048 0.000 0.979 143 T HN 0.516 nan 8.240 nan 0.000 0.446 144 L N 4.528 125.743 121.223 -0.014 0.000 2.361 144 L HA 0.326 4.667 4.340 0.002 0.000 0.278 144 L C 0.488 177.360 176.870 0.003 0.000 1.113 144 L CA 0.042 54.891 54.840 0.014 0.000 0.849 144 L CB -0.157 41.923 42.059 0.036 0.000 1.155 144 L HN 0.602 nan 8.230 nan 0.000 0.452 145 I N 2.482 123.054 120.570 0.003 0.000 3.081 145 I HA 0.201 4.372 4.170 0.002 0.000 0.274 145 I C 0.683 176.801 176.117 0.003 0.000 1.178 145 I CA 0.938 62.239 61.300 0.001 0.000 1.460 145 I CB -0.929 37.072 38.000 0.000 0.000 1.137 145 I HN 0.792 nan 8.210 nan 0.000 0.443 146 S N 0.850 116.553 115.700 0.005 0.000 2.645 146 S HA 0.506 4.977 4.470 0.002 0.000 0.268 146 S C -1.159 173.444 174.600 0.005 0.000 1.110 146 S CA -0.953 57.249 58.200 0.005 0.000 0.823 146 S CB 2.039 65.240 63.200 0.001 0.000 1.091 146 S HN 0.304 nan 8.310 nan 0.000 0.466 147 E N 0.032 120.235 120.200 0.005 0.000 2.375 147 E HA 0.588 4.939 4.350 0.002 0.000 0.280 147 E C -2.230 174.367 176.600 -0.005 0.000 0.972 147 E CA -0.763 55.640 56.400 0.004 0.000 0.782 147 E CB 1.842 31.559 29.700 0.028 0.000 1.229 147 E HN 0.448 nan 8.360 nan 0.000 0.439 148 D N 3.134 123.526 120.400 -0.014 0.000 2.461 148 D HA 0.331 4.972 4.640 0.002 0.000 0.240 148 D C -0.886 175.371 176.300 -0.072 0.000 1.094 148 D CA -0.443 53.539 54.000 -0.030 0.000 0.868 148 D CB 0.693 41.486 40.800 -0.012 0.000 1.062 148 D HN 0.489 nan 8.370 nan 0.000 0.530 149 I N 3.718 124.238 120.570 -0.083 0.000 2.371 149 I HA 0.256 4.427 4.170 0.002 0.000 0.290 149 I C 0.848 176.838 176.117 -0.212 0.000 1.028 149 I CA -0.554 60.667 61.300 -0.130 0.000 1.345 149 I CB 0.807 38.764 38.000 -0.072 0.000 1.407 149 I HN 0.040 nan 8.210 nan 0.000 0.501 150 K N 3.041 123.213 120.400 -0.380 0.000 2.316 150 K HA 0.369 4.690 4.320 0.002 0.000 0.234 150 K C 1.044 177.461 176.600 -0.304 0.000 1.054 150 K CA -0.483 55.534 56.287 -0.450 0.000 0.879 150 K CB 1.487 33.393 32.500 -0.990 0.000 1.252 150 K HN 0.622 nan 8.250 nan 0.000 0.471 151 S N -0.092 115.510 115.700 -0.163 0.000 2.370 151 S HA -0.211 4.260 4.470 0.002 0.000 0.226 151 S C 1.637 176.272 174.600 0.058 0.000 1.033 151 S CA 1.769 59.972 58.200 0.005 0.000 1.011 151 S CB -0.523 62.758 63.200 0.135 0.000 0.852 151 S HN 0.683 nan 8.310 nan 0.000 0.457 152 Y N 0.275 120.507 120.300 -0.112 0.000 2.500 152 Y HA 0.598 5.149 4.550 0.002 0.000 0.246 152 Y C 0.015 175.859 175.900 -0.092 0.000 1.146 152 Y CA -1.959 56.094 58.100 -0.080 0.000 1.230 152 Y CB -0.447 37.978 38.460 -0.059 0.000 1.214 152 Y HN 0.449 nan 8.280 nan 0.000 0.526 153 Y N -2.192 117.811 120.300 -0.495 0.000 2.624 153 Y HA 0.809 5.360 4.550 0.002 0.000 0.334 153 Y C -1.362 174.440 175.900 -0.164 0.000 1.155 153 Y CA -1.665 56.227 58.100 -0.347 0.000 1.046 153 Y CB 1.221 39.442 38.460 -0.398 0.000 1.316 153 Y HN -0.122 nan 8.280 nan 0.000 0.457 154 T N 2.385 117.002 114.554 0.104 0.000 2.893 154 T HA 0.611 4.963 4.350 0.002 0.000 0.293 154 T C -1.410 173.403 174.700 0.187 0.000 1.027 154 T CA -0.758 61.371 62.100 0.049 0.000 0.988 154 T CB 1.811 70.701 68.868 0.036 0.000 1.043 154 T HN 0.610 nan 8.240 nan 0.000 0.461 155 V N 3.883 123.852 119.914 0.092 0.000 2.357 155 V HA 0.514 4.635 4.120 0.002 0.000 0.284 155 V C 0.060 176.109 176.094 -0.074 0.000 1.018 155 V CA -0.854 61.427 62.300 -0.032 0.000 0.841 155 V CB 1.238 33.053 31.823 -0.013 0.000 0.991 155 V HN 0.693 nan 8.190 nan 0.000 0.437 156 R N 3.213 123.649 120.500 -0.107 0.000 2.589 156 R HA 0.535 4.876 4.340 0.002 0.000 0.293 156 R C -0.597 175.651 176.300 -0.086 0.000 0.963 156 R CA -0.666 55.397 56.100 -0.061 0.000 0.905 156 R CB 2.282 32.551 30.300 -0.050 0.000 1.144 156 R HN 0.699 nan 8.270 nan 0.000 0.459 157 Q N 2.995 122.768 119.800 -0.047 0.000 2.314 157 Q HA 0.333 4.674 4.340 0.002 0.000 0.259 157 Q C -1.355 174.639 176.000 -0.009 0.000 0.951 157 Q CA -0.640 55.143 55.803 -0.035 0.000 0.909 157 Q CB 0.947 29.671 28.738 -0.022 0.000 1.236 157 Q HN 0.274 nan 8.270 nan 0.000 0.444 158 L N 2.501 123.726 121.223 0.004 0.000 2.301 158 L HA 0.522 4.863 4.340 0.002 0.000 0.264 158 L C -0.698 176.175 176.870 0.006 0.000 1.016 158 L CA -0.455 54.387 54.840 0.002 0.000 0.821 158 L CB 2.079 44.141 42.059 0.004 0.000 1.346 158 L HN 0.650 nan 8.230 nan 0.000 0.429 159 E N 1.501 121.694 120.200 -0.012 0.000 2.224 159 E HA 0.453 4.804 4.350 0.002 0.000 0.265 159 E C -1.776 174.821 176.600 -0.004 0.000 0.878 159 E CA -0.519 55.889 56.400 0.013 0.000 0.759 159 E CB 1.764 31.471 29.700 0.012 0.000 1.164 159 E HN 0.514 nan 8.360 nan 0.000 0.414 160 L N 4.279 125.544 121.223 0.071 0.000 2.305 160 L HA 0.466 4.807 4.340 0.002 0.000 0.284 160 L C -0.785 176.188 176.870 0.172 0.000 1.013 160 L CA -0.438 54.459 54.840 0.095 0.000 0.819 160 L CB 1.428 43.628 42.059 0.236 0.000 1.227 160 L HN 0.655 nan 8.230 nan 0.000 0.417 161 E N 4.248 124.454 120.200 0.009 0.000 2.176 161 E HA 0.137 4.488 4.350 0.002 0.000 0.267 161 E C -0.810 175.598 176.600 -0.319 0.000 0.893 161 E CA -0.736 55.620 56.400 -0.073 0.000 0.761 161 E CB 1.297 30.967 29.700 -0.049 0.000 1.133 161 E HN 0.478 nan 8.360 nan 0.000 0.409 162 N N 5.830 124.157 118.700 -0.621 0.000 2.508 162 N HA -0.007 4.734 4.740 0.002 0.000 0.253 162 N C 0.780 176.084 175.510 -0.344 0.000 1.145 162 N CA -0.101 52.470 53.050 -0.800 0.000 0.973 162 N CB 0.388 38.160 38.487 -1.191 0.000 1.305 162 N HN 0.597 nan 8.380 nan 0.000 0.506 163 L N 2.837 123.921 121.223 -0.231 0.000 2.151 163 L HA -0.223 4.118 4.340 0.002 0.000 0.215 163 L C 2.103 178.913 176.870 -0.100 0.000 1.084 163 L CA 1.648 56.412 54.840 -0.128 0.000 0.764 163 L CB -1.160 40.844 42.059 -0.092 0.000 0.891 163 L HN 0.494 nan 8.230 nan 0.000 0.435 164 T N -1.869 112.615 114.554 -0.117 0.000 2.674 164 T HA -0.151 4.200 4.350 0.002 0.000 0.265 164 T C 1.573 176.246 174.700 -0.046 0.000 1.039 164 T CA 1.873 63.931 62.100 -0.069 0.000 1.150 164 T CB -0.365 68.465 68.868 -0.063 0.000 0.864 164 T HN 0.577 nan 8.240 nan 0.000 0.427 165 T N -0.896 113.625 114.554 -0.055 0.000 3.069 165 T HA 0.163 4.514 4.350 0.002 0.000 0.252 165 T C 0.759 175.464 174.700 0.008 0.000 1.053 165 T CA -0.078 62.022 62.100 0.000 0.000 0.964 165 T CB -0.183 68.718 68.868 0.056 0.000 1.005 165 T HN 0.312 nan 8.240 nan 0.000 0.532 166 Q N 0.245 120.028 119.800 -0.028 0.000 2.450 166 Q HA -0.194 4.147 4.340 0.002 0.000 0.255 166 Q C -0.160 175.863 176.000 0.039 0.000 1.003 166 Q CA 0.904 56.701 55.803 -0.009 0.000 1.097 166 Q CB -1.415 27.326 28.738 0.004 0.000 1.544 166 Q HN 0.824 nan 8.270 nan 0.000 0.531 167 E N 0.016 120.262 120.200 0.077 0.000 2.343 167 E HA 0.320 4.671 4.350 0.002 0.000 0.269 167 E C -0.603 176.179 176.600 0.303 0.000 1.047 167 E CA 0.097 56.637 56.400 0.234 0.000 0.874 167 E CB 0.945 30.908 29.700 0.438 0.000 1.033 167 E HN -0.010 nan 8.360 nan 0.000 0.409 168 T N 3.616 118.348 114.554 0.297 0.000 2.886 168 T HA 0.521 4.872 4.350 0.002 0.000 0.292 168 T C -0.837 174.000 174.700 0.228 0.000 1.012 168 T CA -0.684 61.573 62.100 0.261 0.000 0.982 168 T CB 1.070 70.016 68.868 0.131 0.000 1.018 168 T HN 0.398 nan 8.240 nan 0.000 0.451 169 R N 1.267 121.909 120.500 0.237 0.000 2.725 169 R HA 0.432 4.773 4.340 0.002 0.000 0.277 169 R C -0.913 175.444 176.300 0.094 0.000 0.987 169 R CA -0.930 55.236 56.100 0.111 0.000 0.901 169 R CB 2.432 32.740 30.300 0.014 0.000 1.207 169 R HN 0.591 nan 8.270 nan 0.000 0.463 170 E N 3.415 123.643 120.200 0.047 0.000 2.227 170 E HA 0.245 4.596 4.350 0.002 0.000 0.282 170 E C -0.698 175.923 176.600 0.036 0.000 1.015 170 E CA -0.511 55.911 56.400 0.037 0.000 0.823 170 E CB 0.825 30.537 29.700 0.020 0.000 1.081 170 E HN 0.289 nan 8.360 nan 0.000 0.396 171 I N 5.128 125.736 120.570 0.064 0.000 2.406 171 I HA 0.228 4.399 4.170 0.002 0.000 0.290 171 I C -0.577 175.582 176.117 0.070 0.000 0.999 171 I CA -0.955 60.410 61.300 0.109 0.000 1.124 171 I CB 1.097 39.247 38.000 0.250 0.000 1.289 171 I HN 0.529 nan 8.210 nan 0.000 0.441 172 L N 6.235 127.475 121.223 0.028 0.000 2.292 172 L HA 0.326 4.667 4.340 0.002 0.000 0.284 172 L C 0.259 176.985 176.870 -0.240 0.000 1.065 172 L CA -0.031 54.710 54.840 -0.166 0.000 0.806 172 L CB 0.160 42.120 42.059 -0.165 0.000 1.175 172 L HN 0.424 nan 8.230 nan 0.000 0.431 173 H N 4.386 123.172 119.070 -0.472 0.000 2.511 173 H HA 0.336 4.894 4.556 0.002 0.000 0.328 173 H C -1.442 173.563 175.328 -0.537 0.000 1.044 173 H CA -0.516 55.332 56.048 -0.333 0.000 1.212 173 H CB 0.777 30.402 29.762 -0.228 0.000 1.428 173 H HN 0.356 nan 8.280 nan 0.000 0.483 174 F N 4.737 124.537 119.950 -0.250 0.000 2.347 174 F HA 0.134 4.662 4.527 0.002 0.000 0.366 174 F C 0.363 176.193 175.800 0.050 0.000 1.107 174 F CA -0.734 57.239 58.000 -0.045 0.000 1.058 174 F CB 0.558 39.463 39.000 -0.158 0.000 1.236 174 F HN 0.553 nan 8.300 nan 0.000 0.456 175 H N 3.983 123.147 119.070 0.156 0.000 2.746 175 H HA 0.172 4.729 4.556 0.002 0.000 0.269 175 H C -1.197 174.262 175.328 0.218 0.000 1.248 175 H CA -1.298 54.808 56.048 0.097 0.000 1.258 175 H CB -0.200 29.594 29.762 0.053 0.000 1.441 175 H HN 0.471 nan 8.280 nan 0.000 0.508 176 Y N 3.847 124.211 120.300 0.108 0.000 2.605 176 Y HA 0.045 4.596 4.550 0.002 0.000 0.336 176 Y C 1.462 177.391 175.900 0.049 0.000 1.111 176 Y CA 0.624 58.630 58.100 -0.156 0.000 1.422 176 Y CB 0.596 38.669 38.460 -0.645 0.000 1.193 176 Y HN 0.644 nan 8.280 nan 0.000 0.526 177 T N -1.335 113.400 114.554 0.300 0.000 3.023 177 T HA 0.008 4.359 4.350 0.002 0.000 0.253 177 T C 0.998 175.881 174.700 0.304 0.000 1.038 177 T CA 0.657 62.849 62.100 0.153 0.000 0.962 177 T CB -0.238 68.557 68.868 -0.122 0.000 1.018 177 T HN 0.612 nan 8.240 nan 0.000 0.521 178 T N -2.885 112.003 114.554 0.555 0.000 3.132 178 T HA 0.234 4.585 4.350 0.002 0.000 0.274 178 T C -0.156 174.777 174.700 0.389 0.000 1.011 178 T CA -0.754 61.607 62.100 0.435 0.000 0.899 178 T CB -0.305 68.794 68.868 0.385 0.000 1.089 178 T HN 0.372 nan 8.240 nan 0.000 0.543 179 W N 4.513 125.827 121.300 0.023 0.000 2.387 179 W HA 0.466 5.127 4.660 0.002 0.000 0.310 179 W C -3.032 173.396 176.519 -0.152 0.000 1.181 179 W CA -3.314 53.847 57.345 -0.307 0.000 1.333 179 W CB 0.669 29.705 29.460 -0.706 0.000 1.286 179 W HN 0.080 nan 8.180 nan 0.000 0.455 180 P HA -0.018 nan 4.420 nan 0.000 0.271 180 P C -0.129 177.229 177.300 0.096 0.000 1.216 180 P CA 0.306 63.498 63.100 0.155 0.000 0.776 180 P CB 0.678 32.448 31.700 0.117 0.000 0.881 181 D N 3.079 123.508 120.400 0.048 0.000 2.455 181 D HA -0.059 4.582 4.640 0.002 0.000 0.241 181 D C 0.115 176.487 176.300 0.121 0.000 1.138 181 D CA -0.151 53.830 54.000 -0.031 0.000 0.877 181 D CB -0.010 40.830 40.800 0.065 0.000 1.187 181 D HN 0.380 nan 8.370 nan 0.000 0.451 182 F N -0.178 119.718 119.950 -0.090 0.000 2.914 182 F HA -0.190 4.338 4.527 0.001 0.000 0.304 182 F C 1.147 176.920 175.800 -0.046 0.000 0.712 182 F CA 1.191 59.147 58.000 -0.074 0.000 1.211 182 F CB -1.444 37.520 39.000 -0.060 0.000 1.515 182 F HN 0.696 nan 8.300 nan 0.000 0.350 183 G N -0.726 108.138 108.800 0.106 0.000 3.175 183 G HA2 0.766 4.727 3.960 0.002 0.000 0.255 183 G HA3 0.766 4.727 3.960 0.002 0.000 0.255 183 G C -0.699 174.282 174.900 0.136 0.000 1.352 183 G CA -0.083 45.074 45.100 0.094 0.000 1.037 183 G HN 0.679 nan 8.290 nan 0.000 0.556 184 V N -3.120 116.738 119.914 -0.093 0.000 3.074 184 V HA 0.785 4.906 4.120 0.002 0.000 0.314 184 V C -2.773 172.780 176.094 -0.902 0.000 1.117 184 V CA -2.468 59.512 62.300 -0.533 0.000 1.014 184 V CB 1.614 33.086 31.823 -0.585 0.000 1.057 184 V HN 0.535 nan 8.190 nan 0.000 0.438 185 P HA 0.213 nan 4.420 nan 0.000 0.271 185 P C 0.629 177.619 177.300 -0.518 0.000 1.244 185 P CA 0.032 62.465 63.100 -1.112 0.000 0.793 185 P CB 0.519 31.522 31.700 -1.162 0.000 0.984 186 E N -0.363 119.684 120.200 -0.255 0.000 2.058 186 E HA -0.099 4.252 4.350 0.002 0.000 0.194 186 E C 0.450 177.012 176.600 -0.064 0.000 0.997 186 E CA 1.329 57.649 56.400 -0.134 0.000 0.801 186 E CB -0.037 29.594 29.700 -0.115 0.000 0.746 186 E HN 0.560 nan 8.360 nan 0.000 0.450 187 S N -1.964 113.724 115.700 -0.021 0.000 2.596 187 S HA 0.267 4.738 4.470 0.002 0.000 0.270 187 S C -2.612 172.084 174.600 0.159 0.000 1.155 187 S CA -1.379 56.860 58.200 0.065 0.000 0.827 187 S CB 1.933 65.116 63.200 -0.029 0.000 1.130 187 S HN -0.306 nan 8.310 nan 0.000 0.467 188 P HA 0.026 nan 4.420 nan 0.000 0.218 188 P C 1.595 178.773 177.300 -0.203 0.000 1.149 188 P CA 1.989 64.980 63.100 -0.183 0.000 0.817 188 P CB -0.163 31.305 31.700 -0.387 0.000 0.785 189 A N 0.245 122.932 122.820 -0.222 0.000 1.865 189 A HA -0.221 4.100 4.320 0.002 0.000 0.217 189 A C 2.399 179.879 177.584 -0.173 0.000 1.191 189 A CA 2.616 54.475 52.037 -0.298 0.000 0.623 189 A CB -1.689 17.273 19.000 -0.063 0.000 0.826 189 A HN 0.336 nan 8.150 nan 0.000 0.444 190 S N -1.124 114.526 115.700 -0.085 0.000 2.382 190 S HA -0.171 4.300 4.470 0.002 0.000 0.228 190 S C 1.823 176.521 174.600 0.164 0.000 1.027 190 S CA 1.451 59.615 58.200 -0.059 0.000 0.991 190 S CB -0.732 62.252 63.200 -0.360 0.000 0.823 190 S HN 0.569 nan 8.310 nan 0.000 0.469 191 F N 2.649 122.631 119.950 0.054 0.000 2.084 191 F HA 0.127 4.655 4.527 0.002 0.000 0.296 191 F C 1.918 177.790 175.800 0.121 0.000 1.111 191 F CA 1.165 59.256 58.000 0.152 0.000 1.224 191 F CB -0.559 38.512 39.000 0.118 0.000 0.991 191 F HN 0.126 nan 8.300 nan 0.000 0.471 192 L N 0.398 121.438 121.223 -0.305 0.000 2.131 192 L HA -0.234 4.107 4.340 0.002 0.000 0.210 192 L C 2.206 178.859 176.870 -0.362 0.000 1.092 192 L CA 1.603 56.094 54.840 -0.582 0.000 0.759 192 L CB -0.957 40.314 42.059 -1.314 0.000 0.903 192 L HN 0.281 nan 8.230 nan 0.000 0.435 193 N N 0.244 118.841 118.700 -0.171 0.000 2.120 193 N HA -0.255 4.486 4.740 0.002 0.000 0.188 193 N C 1.766 177.272 175.510 -0.005 0.000 1.024 193 N CA 1.298 54.374 53.050 0.044 0.000 0.852 193 N CB -0.204 38.398 38.487 0.192 0.000 1.003 193 N HN 0.235 nan 8.380 nan 0.000 0.424 194 F N 0.483 120.323 119.950 -0.183 0.000 2.102 194 F HA -0.070 4.458 4.527 0.001 0.000 0.298 194 F C 2.009 177.670 175.800 -0.232 0.000 1.105 194 F CA 0.960 58.755 58.000 -0.341 0.000 1.239 194 F CB -0.654 38.250 39.000 -0.160 0.000 0.991 194 F HN 0.156 nan 8.300 nan 0.000 0.474 195 L N -0.219 120.908 121.223 -0.160 0.000 2.012 195 L HA -0.222 4.119 4.340 0.002 0.000 0.210 195 L C 2.105 178.851 176.870 -0.207 0.000 1.073 195 L CA 1.971 56.681 54.840 -0.217 0.000 0.748 195 L CB -1.339 40.482 42.059 -0.396 0.000 0.891 195 L HN 0.125 nan 8.230 nan 0.000 0.431 196 F N -0.043 119.720 119.950 -0.312 0.000 2.269 196 F HA -0.147 4.381 4.527 0.002 0.000 0.301 196 F C 2.422 178.063 175.800 -0.266 0.000 1.082 196 F CA 1.026 58.879 58.000 -0.244 0.000 1.360 196 F CB -0.621 38.284 39.000 -0.157 0.000 1.041 196 F HN 0.075 nan 8.300 nan 0.000 0.512 197 K N 0.138 120.423 120.400 -0.193 0.000 2.097 197 K HA -0.073 4.248 4.320 0.002 0.000 0.205 197 K C 2.219 178.549 176.600 -0.450 0.000 1.050 197 K CA 0.939 57.069 56.287 -0.261 0.000 0.938 197 K CB -0.645 31.630 32.500 -0.376 0.000 0.718 197 K HN 0.143 nan 8.250 nan 0.000 0.442 198 V N 1.178 120.637 119.914 -0.758 0.000 2.307 198 V HA -0.215 3.906 4.120 0.002 0.000 0.245 198 V C 2.446 178.221 176.094 -0.532 0.000 1.045 198 V CA 1.555 63.236 62.300 -1.033 0.000 1.024 198 V CB -0.401 30.951 31.823 -0.785 0.000 0.651 198 V HN 0.296 nan 8.190 nan 0.000 0.449 199 R N 0.098 120.367 120.500 -0.387 0.000 2.083 199 R HA -0.174 4.167 4.340 0.002 0.000 0.237 199 R C 2.239 178.417 176.300 -0.204 0.000 1.137 199 R CA 1.789 57.708 56.100 -0.302 0.000 0.951 199 R CB -0.365 29.669 30.300 -0.444 0.000 0.851 199 R HN 0.624 nan 8.270 nan 0.000 0.434 200 E N 0.448 120.545 120.200 -0.171 0.000 2.338 200 E HA -0.120 4.231 4.350 0.002 0.000 0.197 200 E C 1.870 178.456 176.600 -0.022 0.000 1.007 200 E CA 1.273 57.631 56.400 -0.070 0.000 0.849 200 E CB 0.012 29.698 29.700 -0.023 0.000 0.774 200 E HN 0.351 nan 8.360 nan 0.000 0.506 201 S N -0.473 115.209 115.700 -0.030 0.000 2.481 201 S HA 0.046 4.517 4.470 0.002 0.000 0.231 201 S C 1.756 176.392 174.600 0.060 0.000 0.996 201 S CA 0.668 58.912 58.200 0.073 0.000 0.942 201 S CB 0.164 63.514 63.200 0.251 0.000 0.768 201 S HN 0.376 nan 8.310 nan 0.000 0.520 202 G N 0.444 109.255 108.800 0.019 0.000 2.175 202 G HA2 -0.306 3.655 3.960 0.002 0.000 0.244 202 G HA3 -0.306 3.655 3.960 0.002 0.000 0.244 202 G C 0.994 175.957 174.900 0.105 0.000 0.982 202 G CA 0.463 45.604 45.100 0.069 0.000 0.641 202 G HN 0.615 nan 8.290 nan 0.000 0.527 203 S N -0.025 115.689 115.700 0.023 0.000 2.419 203 S HA 0.027 4.498 4.470 0.002 0.000 0.235 203 S C 2.012 176.628 174.600 0.026 0.000 1.019 203 S CA 1.315 59.515 58.200 -0.001 0.000 0.982 203 S CB -0.150 63.069 63.200 0.031 0.000 0.789 203 S HN 0.543 nan 8.310 nan 0.000 0.490 204 L N 1.021 122.240 121.223 -0.006 0.000 2.592 204 L HA 0.204 4.545 4.340 0.002 0.000 0.227 204 L C 1.102 177.954 176.870 -0.031 0.000 1.127 204 L CA -0.254 54.563 54.840 -0.039 0.000 0.884 204 L CB -0.263 41.751 42.059 -0.075 0.000 1.065 204 L HN 0.138 nan 8.230 nan 0.000 0.457 205 S N 1.487 117.213 115.700 0.043 0.000 2.563 205 S HA 0.076 4.547 4.470 0.002 0.000 0.284 205 S C -1.085 173.483 174.600 -0.054 0.000 1.331 205 S CA -1.001 57.196 58.200 -0.005 0.000 1.047 205 S CB 0.707 63.907 63.200 0.000 0.000 0.859 205 S HN 0.071 nan 8.310 nan 0.000 0.514 206 P HA -0.030 nan 4.420 nan 0.000 0.237 206 P C 0.635 177.857 177.300 -0.129 0.000 1.178 206 P CA 0.608 63.647 63.100 -0.102 0.000 0.766 206 P CB -0.133 31.513 31.700 -0.091 0.000 0.876 207 E N -1.481 118.593 120.200 -0.210 0.000 2.442 207 E HA -0.046 4.305 4.350 0.002 0.000 0.195 207 E C 0.441 176.815 176.600 -0.377 0.000 1.030 207 E CA 0.126 56.348 56.400 -0.296 0.000 0.869 207 E CB -0.355 29.128 29.700 -0.363 0.000 0.857 207 E HN 0.355 nan 8.360 nan 0.000 0.505 208 H N 0.669 119.702 119.070 -0.062 0.000 2.570 208 H HA 0.441 4.998 4.556 0.002 0.000 0.342 208 H C 0.631 175.911 175.328 -0.079 0.000 1.245 208 H CA -0.189 55.819 56.048 -0.067 0.000 1.318 208 H CB 0.886 30.616 29.762 -0.053 0.000 1.694 208 H HN 0.120 nan 8.280 nan 0.000 0.592 209 G N 0.527 109.364 108.800 0.061 0.000 2.653 209 G HA2 0.181 4.142 3.960 0.002 0.000 0.265 209 G HA3 0.181 4.142 3.960 0.002 0.000 0.265 209 G C -2.257 172.628 174.900 -0.025 0.000 1.237 209 G CA -0.949 44.141 45.100 -0.016 0.000 0.946 209 G HN 0.377 nan 8.290 nan 0.000 0.522 210 P HA 0.114 nan 4.420 nan 0.000 0.271 210 P C 0.212 177.489 177.300 -0.040 0.000 1.216 210 P CA -0.192 62.859 63.100 -0.083 0.000 0.776 210 P CB 1.393 33.036 31.700 -0.096 0.000 0.881 211 V N 4.487 124.389 119.914 -0.019 0.000 2.763 211 V HA -0.015 4.106 4.120 0.002 0.000 0.306 211 V C 0.010 176.151 176.094 0.078 0.000 1.059 211 V CA 0.150 62.479 62.300 0.049 0.000 1.138 211 V CB 0.814 32.700 31.823 0.106 0.000 0.940 211 V HN 0.234 nan 8.190 nan 0.000 0.489 212 V N 7.247 127.193 119.914 0.053 0.000 2.407 212 V HA 0.407 4.528 4.120 0.002 0.000 0.278 212 V C -0.063 176.079 176.094 0.079 0.000 1.037 212 V CA -0.302 62.020 62.300 0.036 0.000 0.900 212 V CB 1.465 33.249 31.823 -0.066 0.000 0.983 212 V HN 0.665 nan 8.190 nan 0.000 0.459 213 V N 5.457 125.415 119.914 0.073 0.000 2.540 213 V HA 0.639 4.760 4.120 0.002 0.000 0.302 213 V C -0.674 175.431 176.094 0.019 0.000 1.035 213 V CA -0.587 61.703 62.300 -0.016 0.000 0.873 213 V CB 1.767 33.577 31.823 -0.022 0.000 0.992 213 V HN 1.174 nan 8.190 nan 0.000 0.428 214 H N 2.373 121.378 119.070 -0.109 0.000 3.029 214 H HA 0.672 5.229 4.556 0.002 0.000 0.358 214 H C -0.153 175.078 175.328 -0.161 0.000 1.129 214 H CA -0.358 55.622 56.048 -0.113 0.000 1.230 214 H CB 1.029 30.742 29.762 -0.082 0.000 1.827 214 H HN 0.662 nan 8.280 nan 0.000 0.530 215 C N 1.293 120.528 119.300 -0.110 0.000 2.529 215 C HA 0.556 5.017 4.460 0.002 0.000 0.076 215 C C 2.023 177.092 174.990 0.132 0.000 2.319 215 C CA 0.466 59.421 59.018 -0.105 0.000 1.550 215 C CB 0.406 27.970 27.740 -0.294 0.000 2.479 215 C HN 0.775 nan 8.230 nan 0.000 0.351 216 S N 0.164 115.878 115.700 0.024 0.000 2.438 216 S HA 0.331 4.802 4.470 0.002 0.000 0.220 216 S C 1.911 176.627 174.600 0.193 0.000 1.045 216 S CA 0.895 59.164 58.200 0.115 0.000 0.940 216 S CB -0.589 62.686 63.200 0.125 0.000 0.863 216 S HN 0.873 nan 8.310 nan 0.000 0.539 217 A N -0.245 122.657 122.820 0.136 0.000 2.195 217 A HA 0.516 4.837 4.320 0.002 0.000 0.210 217 A C 1.480 179.085 177.584 0.036 0.000 1.165 217 A CA 0.902 53.038 52.037 0.164 0.000 0.806 217 A CB -0.683 18.258 19.000 -0.098 0.000 0.847 217 A HN 1.321 nan 8.150 nan 0.000 0.482 218 G N -0.185 108.601 108.800 -0.023 0.000 2.160 218 G HA2 -0.276 3.685 3.960 0.002 0.000 0.244 218 G HA3 -0.276 3.685 3.960 0.002 0.000 0.244 218 G C 0.614 175.474 174.900 -0.068 0.000 1.022 218 G CA 0.891 45.969 45.100 -0.037 0.000 0.741 218 G HN 1.369 nan 8.290 nan 0.000 0.508 219 I N -5.238 115.266 120.570 -0.111 0.000 4.881 219 I HA 0.430 4.602 4.170 0.002 0.000 0.319 219 I C 1.885 177.926 176.117 -0.127 0.000 1.205 219 I CA 0.789 62.032 61.300 -0.096 0.000 1.368 219 I CB -0.418 37.537 38.000 -0.076 0.000 1.484 219 I HN 0.072 nan 8.210 nan 0.000 0.486 220 G N 1.838 110.507 108.800 -0.217 0.000 2.605 220 G HA2 -0.033 3.928 3.960 0.002 0.000 0.215 220 G HA3 -0.033 3.928 3.960 0.002 0.000 0.215 220 G C 1.616 176.333 174.900 -0.305 0.000 1.279 220 G CA 0.693 45.636 45.100 -0.261 0.000 0.831 220 G HN 0.193 nan 8.290 nan 0.000 0.560 221 R N 0.197 120.383 120.500 -0.523 0.000 2.075 221 R HA 0.001 4.342 4.340 0.002 0.000 0.232 221 R C 3.075 179.028 176.300 -0.579 0.000 1.126 221 R CA 1.343 56.909 56.100 -0.890 0.000 0.963 221 R CB -0.356 29.061 30.300 -1.472 0.000 0.858 221 R HN 0.302 nan 8.270 nan 0.000 0.435 222 S N -0.057 115.417 115.700 -0.376 0.000 2.370 222 S HA -0.135 4.336 4.470 0.002 0.000 0.226 222 S C 1.999 176.580 174.600 -0.032 0.000 1.033 222 S CA 1.420 59.512 58.200 -0.180 0.000 1.011 222 S CB -0.468 62.647 63.200 -0.141 0.000 0.852 222 S HN 0.631 nan 8.310 nan 0.000 0.457 223 G N 1.154 109.921 108.800 -0.055 0.000 2.418 223 G HA2 -0.189 3.772 3.960 0.002 0.000 0.217 223 G HA3 -0.189 3.772 3.960 0.002 0.000 0.217 223 G C 1.461 176.396 174.900 0.058 0.000 1.158 223 G CA 1.490 46.593 45.100 0.004 0.000 0.771 223 G HN 0.496 nan 8.290 nan 0.000 0.545 224 T N 0.771 115.373 114.554 0.080 0.000 2.708 224 T HA -0.140 4.211 4.350 0.002 0.000 0.266 224 T C 1.929 176.783 174.700 0.255 0.000 1.037 224 T CA 1.204 63.403 62.100 0.166 0.000 1.146 224 T CB -0.327 68.702 68.868 0.269 0.000 0.865 224 T HN 0.269 nan 8.240 nan 0.000 0.435 225 F N 1.376 121.478 119.950 0.254 0.000 2.069 225 F HA -0.190 4.338 4.527 0.002 0.000 0.298 225 F C 2.450 178.373 175.800 0.205 0.000 1.113 225 F CA 1.029 59.296 58.000 0.445 0.000 1.214 225 F CB -0.691 38.546 39.000 0.396 0.000 0.978 225 F HN 0.155 nan 8.300 nan 0.000 0.474 226 C N 0.184 119.558 119.300 0.123 0.000 2.440 226 C HA -0.103 4.358 4.460 0.002 0.000 0.278 226 C C 2.647 177.513 174.990 -0.206 0.000 1.295 226 C CA 0.792 59.639 59.018 -0.286 0.000 1.738 226 C CB -1.434 26.005 27.740 -0.501 0.000 1.987 226 C HN 0.675 nan 8.230 nan 0.000 0.492 227 L N 2.205 123.392 121.223 -0.060 0.000 2.017 227 L HA -0.049 4.292 4.340 0.002 0.000 0.208 227 L C 2.535 179.396 176.870 -0.016 0.000 1.073 227 L CA 2.483 57.315 54.840 -0.013 0.000 0.745 227 L CB -0.992 41.087 42.059 0.035 0.000 0.894 227 L HN 0.250 nan 8.230 nan 0.000 0.432 228 A N -0.931 121.886 122.820 -0.004 0.000 1.933 228 A HA -0.258 4.063 4.320 0.002 0.000 0.218 228 A C 2.064 179.650 177.584 0.003 0.000 1.175 228 A CA 1.828 53.877 52.037 0.019 0.000 0.628 228 A CB -0.949 18.118 19.000 0.112 0.000 0.814 228 A HN 0.614 nan 8.150 nan 0.000 0.444 229 D N -1.187 119.164 120.400 -0.083 0.000 2.103 229 D HA -0.092 4.549 4.640 0.002 0.000 0.199 229 D C 1.958 178.264 176.300 0.009 0.000 0.978 229 D CA 1.891 55.832 54.000 -0.098 0.000 0.829 229 D CB -0.152 40.529 40.800 -0.198 0.000 0.981 229 D HN 0.318 nan 8.370 nan 0.000 0.464 230 T N -0.808 113.771 114.554 0.041 0.000 2.708 230 T HA -0.169 4.182 4.350 0.002 0.000 0.266 230 T C 2.211 176.939 174.700 0.046 0.000 1.037 230 T CA 1.290 63.443 62.100 0.088 0.000 1.146 230 T CB -0.684 68.244 68.868 0.101 0.000 0.865 230 T HN 0.292 nan 8.240 nan 0.000 0.435 231 C N 1.005 120.318 119.300 0.021 0.000 2.429 231 C HA 0.036 4.497 4.460 0.002 0.000 0.277 231 C C 2.711 177.713 174.990 0.021 0.000 1.262 231 C CA 0.416 59.439 59.018 0.008 0.000 1.733 231 C CB -1.410 26.314 27.740 -0.027 0.000 2.010 231 C HN 0.518 nan 8.230 nan 0.000 0.483 232 L N 0.054 121.297 121.223 0.032 0.000 2.141 232 L HA -0.139 4.202 4.340 0.002 0.000 0.209 232 L C 2.583 179.485 176.870 0.055 0.000 1.094 232 L CA 1.016 55.894 54.840 0.064 0.000 0.763 232 L CB -0.588 41.528 42.059 0.095 0.000 0.908 232 L HN 0.430 nan 8.230 nan 0.000 0.437 233 L N -0.711 120.532 121.223 0.034 0.000 2.044 233 L HA -0.199 4.142 4.340 0.002 0.000 0.205 233 L C 2.559 179.444 176.870 0.025 0.000 1.075 233 L CA 1.018 55.873 54.840 0.024 0.000 0.747 233 L CB -0.067 42.003 42.059 0.019 0.000 0.903 233 L HN 0.223 nan 8.230 nan 0.000 0.435 234 L N -0.378 120.862 121.223 0.029 0.000 1.971 234 L HA -0.342 3.999 4.340 0.002 0.000 0.215 234 L C 2.615 179.499 176.870 0.023 0.000 1.072 234 L CA 2.199 57.054 54.840 0.025 0.000 0.758 234 L CB -1.235 40.840 42.059 0.028 0.000 0.889 234 L HN 0.440 nan 8.230 nan 0.000 0.433 235 M N -0.572 119.045 119.600 0.027 0.000 2.082 235 M HA -0.293 4.188 4.480 0.002 0.000 0.258 235 M C 1.930 178.247 176.300 0.028 0.000 1.069 235 M CA 2.286 57.603 55.300 0.029 0.000 1.102 235 M CB -0.270 32.353 32.600 0.038 0.000 1.336 235 M HN 0.194 nan 8.290 nan 0.000 0.404 236 D N 0.199 120.620 120.400 0.036 0.000 2.097 236 D HA -0.203 4.438 4.640 0.002 0.000 0.195 236 D C 1.895 178.202 176.300 0.011 0.000 0.989 236 D CA 1.449 55.466 54.000 0.029 0.000 0.827 236 D CB -0.178 40.647 40.800 0.041 0.000 0.966 236 D HN 0.374 nan 8.370 nan 0.000 0.456 237 K N -0.271 120.135 120.400 0.010 0.000 2.147 237 K HA -0.081 4.240 4.320 0.002 0.000 0.205 237 K C 1.769 178.370 176.600 0.003 0.000 1.049 237 K CA 0.999 57.288 56.287 0.003 0.000 0.936 237 K CB 0.151 32.654 32.500 0.004 0.000 0.722 237 K HN 0.059 nan 8.250 nan 0.000 0.446 238 R N -0.420 120.083 120.500 0.006 0.000 2.365 238 R HA 0.125 4.466 4.340 0.002 0.000 0.223 238 R C -0.236 176.066 176.300 0.003 0.000 0.899 238 R CA -0.204 55.899 56.100 0.005 0.000 1.059 238 R CB 0.656 30.961 30.300 0.009 0.000 1.086 238 R HN -0.071 nan 8.270 nan 0.000 0.522 239 K N 2.007 122.408 120.400 0.002 0.000 3.156 239 K HA -0.191 4.130 4.320 0.002 0.000 0.266 239 K C -0.873 175.728 176.600 0.002 0.000 0.966 239 K CA 1.066 57.352 56.287 -0.002 0.000 0.719 239 K CB -1.391 31.102 32.500 -0.012 0.000 1.333 239 K HN 0.342 nan 8.250 nan 0.000 0.468 240 D N -1.197 119.208 120.400 0.009 0.000 2.411 240 D HA 0.279 4.920 4.640 0.002 0.000 0.239 240 D C -2.134 174.175 176.300 0.016 0.000 1.307 240 D CA -1.733 52.273 54.000 0.011 0.000 0.930 240 D CB 1.227 42.033 40.800 0.010 0.000 1.395 240 D HN -0.189 nan 8.370 nan 0.000 0.536 241 P HA -0.076 nan 4.420 nan 0.000 0.222 241 P C 1.071 178.382 177.300 0.019 0.000 1.142 241 P CA 0.783 63.895 63.100 0.020 0.000 0.788 241 P CB 0.410 32.124 31.700 0.024 0.000 0.767 242 S N -0.881 114.831 115.700 0.020 0.000 2.461 242 S HA -0.076 4.395 4.470 0.002 0.000 0.228 242 S C 1.814 176.427 174.600 0.022 0.000 1.005 242 S CA 1.284 59.498 58.200 0.023 0.000 0.942 242 S CB -0.693 62.520 63.200 0.022 0.000 0.776 242 S HN 0.318 nan 8.310 nan 0.000 0.514 243 S N 0.612 116.323 115.700 0.019 0.000 2.603 243 S HA 0.138 4.609 4.470 0.002 0.000 0.220 243 S C 0.451 175.062 174.600 0.019 0.000 0.967 243 S CA -0.276 57.935 58.200 0.019 0.000 0.920 243 S CB -0.212 62.998 63.200 0.017 0.000 0.773 243 S HN 0.231 nan 8.310 nan 0.000 0.529 244 V N 2.418 122.340 119.914 0.014 0.000 2.350 244 V HA 0.418 4.539 4.120 0.002 0.000 0.276 244 V C -1.133 174.961 176.094 -0.001 0.000 1.028 244 V CA -0.751 61.553 62.300 0.007 0.000 0.860 244 V CB 1.125 32.947 31.823 -0.003 0.000 0.990 244 V HN 0.289 nan 8.190 nan 0.000 0.453 245 D N 6.040 126.446 120.400 0.010 0.000 2.467 245 D HA 0.297 4.938 4.640 0.002 0.000 0.220 245 D C 1.203 177.504 176.300 0.003 0.000 1.103 245 D CA -0.223 53.787 54.000 0.017 0.000 0.886 245 D CB 1.059 41.883 40.800 0.039 0.000 1.025 245 D HN 0.567 nan 8.370 nan 0.000 0.514 246 I N 2.848 123.380 120.570 -0.064 0.000 2.118 246 I HA -0.351 3.820 4.170 0.002 0.000 0.241 246 I C 2.233 178.365 176.117 0.026 0.000 1.070 246 I CA 1.172 62.412 61.300 -0.099 0.000 1.327 246 I CB -0.082 37.680 38.000 -0.397 0.000 1.034 246 I HN 0.330 nan 8.210 nan 0.000 0.405 247 K N 0.631 121.090 120.400 0.098 0.000 2.057 247 K HA -0.220 4.101 4.320 0.002 0.000 0.207 247 K C 2.222 178.886 176.600 0.107 0.000 1.049 247 K CA 1.279 57.655 56.287 0.147 0.000 0.931 247 K CB -0.209 32.397 32.500 0.176 0.000 0.714 247 K HN 0.242 nan 8.250 nan 0.000 0.440 248 K N 1.165 121.616 120.400 0.085 0.000 2.026 248 K HA -0.147 4.174 4.320 0.002 0.000 0.208 248 K C 2.173 178.825 176.600 0.087 0.000 1.048 248 K CA 1.461 57.795 56.287 0.077 0.000 0.929 248 K CB -0.192 32.346 32.500 0.063 0.000 0.713 248 K HN 0.089 nan 8.250 nan 0.000 0.439 249 V N 1.287 121.249 119.914 0.079 0.000 2.427 249 V HA -0.190 3.931 4.120 0.002 0.000 0.248 249 V C 2.097 178.258 176.094 0.113 0.000 1.051 249 V CA 1.481 63.836 62.300 0.091 0.000 1.048 249 V CB -0.309 31.554 31.823 0.066 0.000 0.666 249 V HN 0.346 nan 8.190 nan 0.000 0.456 250 L N -0.102 121.185 121.223 0.106 0.000 2.012 250 L HA -0.102 4.239 4.340 0.002 0.000 0.210 250 L C 2.326 179.281 176.870 0.140 0.000 1.073 250 L CA 2.161 57.076 54.840 0.125 0.000 0.748 250 L CB -1.042 41.101 42.059 0.140 0.000 0.891 250 L HN 0.297 nan 8.230 nan 0.000 0.431 251 L N -0.191 121.108 121.223 0.126 0.000 2.043 251 L HA -0.232 4.109 4.340 0.002 0.000 0.212 251 L C 2.683 179.642 176.870 0.149 0.000 1.075 251 L CA 1.984 56.895 54.840 0.119 0.000 0.752 251 L CB -1.485 40.629 42.059 0.092 0.000 0.891 251 L HN 0.479 nan 8.230 nan 0.000 0.432 252 E N -0.650 119.649 120.200 0.165 0.000 2.110 252 E HA -0.210 4.141 4.350 0.002 0.000 0.193 252 E C 2.258 179.069 176.600 0.351 0.000 0.988 252 E CA 1.328 57.863 56.400 0.224 0.000 0.804 252 E CB -0.136 29.693 29.700 0.214 0.000 0.745 252 E HN 0.421 nan 8.360 nan 0.000 0.458 253 M N -0.377 119.407 119.600 0.307 0.000 2.175 253 M HA -0.062 4.420 4.480 0.002 0.000 0.264 253 M C 2.090 178.622 176.300 0.388 0.000 1.063 253 M CA 1.254 56.772 55.300 0.363 0.000 1.119 253 M CB -0.126 32.598 32.600 0.207 0.000 1.377 253 M HN 0.004 nan 8.290 nan 0.000 0.415 254 R N 0.318 120.987 120.500 0.283 0.000 2.316 254 R HA -0.053 4.288 4.340 0.002 0.000 0.202 254 R C 1.714 178.247 176.300 0.388 0.000 1.029 254 R CA 0.653 56.922 56.100 0.282 0.000 1.018 254 R CB -0.107 30.311 30.300 0.198 0.000 0.888 254 R HN 0.424 nan 8.270 nan 0.000 0.471 255 K N -0.440 120.132 120.400 0.288 0.000 2.288 255 K HA -0.042 4.279 4.320 0.002 0.000 0.201 255 K C 1.004 177.724 176.600 0.201 0.000 1.048 255 K CA 1.025 57.437 56.287 0.208 0.000 0.956 255 K CB 0.158 32.554 32.500 -0.173 0.000 0.746 255 K HN 0.120 nan 8.250 nan 0.000 0.461 256 F N 0.092 120.331 119.950 0.482 0.000 2.714 256 F HA 0.219 4.747 4.527 0.001 0.000 0.294 256 F C 0.673 176.605 175.800 0.220 0.000 1.120 256 F CA -0.193 58.012 58.000 0.341 0.000 1.398 256 F CB 0.553 39.671 39.000 0.196 0.000 1.120 256 F HN -0.210 nan 8.300 nan 0.000 0.589 257 R N 0.881 121.562 120.500 0.302 0.000 2.579 257 R HA 0.346 4.687 4.340 0.002 0.000 0.260 257 R C -0.907 175.330 176.300 -0.104 0.000 1.103 257 R CA -0.674 55.349 56.100 -0.128 0.000 0.942 257 R CB 1.258 31.538 30.300 -0.033 0.000 1.251 257 R HN 0.108 nan 8.270 nan 0.000 0.450 258 M N 1.867 121.234 119.600 -0.389 0.000 2.245 258 M HA 0.413 4.894 4.480 0.002 0.000 0.330 258 M C 0.953 177.241 176.300 -0.020 0.000 1.098 258 M CA 1.207 56.452 55.300 -0.092 0.000 1.172 258 M CB 0.679 33.207 32.600 -0.121 0.000 1.467 258 M HN 0.808 nan 8.290 nan 0.000 0.454 259 G N 1.772 110.598 108.800 0.044 0.000 2.148 259 G HA2 -0.213 3.748 3.960 0.002 0.000 0.254 259 G HA3 -0.213 3.748 3.960 0.002 0.000 0.254 259 G C -0.083 174.850 174.900 0.055 0.000 0.981 259 G CA -0.006 45.121 45.100 0.045 0.000 0.670 259 G HN 0.771 nan 8.290 nan 0.000 0.528 260 L N 1.039 122.302 121.223 0.066 0.000 2.654 260 L HA 0.321 4.663 4.340 0.002 0.000 0.271 260 L C 1.121 178.058 176.870 0.110 0.000 1.169 260 L CA 0.298 55.177 54.840 0.066 0.000 0.947 260 L CB -0.220 41.890 42.059 0.084 0.000 1.232 260 L HN 0.354 nan 8.230 nan 0.000 0.486 261 I N 2.734 123.348 120.570 0.074 0.000 7.121 261 I HA -0.207 3.964 4.170 0.002 0.000 0.127 261 I C 0.506 176.721 176.117 0.162 0.000 1.835 261 I CA -0.016 61.348 61.300 0.107 0.000 2.037 261 I CB -0.262 37.858 38.000 0.201 0.000 3.599 261 I HN 0.745 nan 8.210 nan 0.000 0.169 262 Q N 3.150 122.951 119.800 0.001 0.000 2.297 262 Q HA 0.111 4.452 4.340 0.002 0.000 0.203 262 Q C 0.944 176.879 176.000 -0.107 0.000 0.931 262 Q CA 2.014 57.829 55.803 0.019 0.000 0.885 262 Q CB 0.561 29.230 28.738 -0.115 0.000 0.991 262 Q HN 0.861 nan 8.270 nan 0.000 0.498 263 T N -4.639 109.676 114.554 -0.399 0.000 2.916 263 T HA 0.697 5.048 4.350 0.002 0.000 0.292 263 T C 0.801 174.933 174.700 -0.947 0.000 1.055 263 T CA -0.184 61.567 62.100 -0.582 0.000 1.009 263 T CB 1.648 70.395 68.868 -0.201 0.000 1.118 263 T HN -0.036 nan 8.240 nan 0.000 0.497 264 A N 0.632 123.004 122.820 -0.746 0.000 1.933 264 A HA -0.011 4.310 4.320 0.002 0.000 0.218 264 A C 1.892 179.311 177.584 -0.275 0.000 1.175 264 A CA 2.005 53.821 52.037 -0.368 0.000 0.628 264 A CB -1.178 17.819 19.000 -0.004 0.000 0.814 264 A HN 0.959 nan 8.150 nan 0.000 0.444 265 D N -0.843 119.404 120.400 -0.255 0.000 2.183 265 D HA -0.115 4.526 4.640 0.002 0.000 0.203 265 D C 2.157 178.349 176.300 -0.180 0.000 0.969 265 D CA 1.185 55.036 54.000 -0.248 0.000 0.842 265 D CB -0.125 40.579 40.800 -0.160 0.000 0.957 265 D HN 0.570 nan 8.370 nan 0.000 0.484 266 Q N -0.561 119.151 119.800 -0.147 0.000 2.124 266 Q HA -0.133 4.208 4.340 0.002 0.000 0.202 266 Q C 2.093 178.099 176.000 0.011 0.000 0.977 266 Q CA 0.770 56.544 55.803 -0.048 0.000 0.850 266 Q CB -0.092 28.619 28.738 -0.045 0.000 0.901 266 Q HN 0.309 nan 8.270 nan 0.000 0.429 267 L N 0.909 122.111 121.223 -0.034 0.000 2.056 267 L HA -0.158 4.183 4.340 0.002 0.000 0.207 267 L C 2.380 179.265 176.870 0.025 0.000 1.078 267 L CA 1.712 56.618 54.840 0.109 0.000 0.749 267 L CB -0.392 41.816 42.059 0.249 0.000 0.901 267 L HN 0.028 nan 8.230 nan 0.000 0.433 268 R N -1.358 118.897 120.500 -0.409 0.000 2.081 268 R HA -0.252 4.089 4.340 0.002 0.000 0.235 268 R C 2.343 178.554 176.300 -0.148 0.000 1.131 268 R CA 2.016 57.632 56.100 -0.808 0.000 0.960 268 R CB -0.632 28.904 30.300 -1.273 0.000 0.856 268 R HN 0.438 nan 8.270 nan 0.000 0.436 269 F N 1.225 121.041 119.950 -0.222 0.000 2.216 269 F HA -0.129 4.399 4.527 0.002 0.000 0.300 269 F C 2.102 177.796 175.800 -0.176 0.000 1.085 269 F CA 1.589 59.468 58.000 -0.200 0.000 1.326 269 F CB -0.090 38.748 39.000 -0.271 0.000 1.027 269 F HN -0.002 nan 8.300 nan 0.000 0.497 270 S N -0.234 115.487 115.700 0.035 0.000 2.353 270 S HA -0.239 4.232 4.470 0.002 0.000 0.222 270 S C 1.734 176.286 174.600 -0.080 0.000 1.035 270 S CA 1.628 59.812 58.200 -0.027 0.000 1.025 270 S CB -0.862 62.392 63.200 0.090 0.000 0.902 270 S HN 0.449 nan 8.310 nan 0.000 0.440 271 Y N 1.351 121.607 120.300 -0.074 0.000 2.053 271 Y HA -0.164 4.387 4.550 0.002 0.000 0.277 271 Y C 2.337 178.067 175.900 -0.284 0.000 1.159 271 Y CA 0.922 58.998 58.100 -0.040 0.000 1.125 271 Y CB -0.903 37.713 38.460 0.260 0.000 0.969 271 Y HN 0.113 nan 8.280 nan 0.000 0.492 272 L N -0.261 120.798 121.223 -0.273 0.000 1.997 272 L HA -0.311 4.030 4.340 0.002 0.000 0.216 272 L C 2.516 179.070 176.870 -0.526 0.000 1.074 272 L CA 2.208 56.730 54.840 -0.531 0.000 0.763 272 L CB -1.516 40.163 42.059 -0.633 0.000 0.890 272 L HN 0.256 nan 8.230 nan 0.000 0.434 273 A N -1.601 120.811 122.820 -0.681 0.000 1.877 273 A HA -0.156 4.165 4.320 0.002 0.000 0.216 273 A C 2.326 179.772 177.584 -0.230 0.000 1.186 273 A CA 1.983 53.720 52.037 -0.499 0.000 0.620 273 A CB -0.962 17.734 19.000 -0.508 0.000 0.822 273 A HN 0.265 nan 8.150 nan 0.000 0.443 274 V N 0.162 119.969 119.914 -0.179 0.000 2.295 274 V HA -0.263 3.858 4.120 0.002 0.000 0.246 274 V C 2.423 178.478 176.094 -0.064 0.000 1.049 274 V CA 1.977 64.226 62.300 -0.085 0.000 1.024 274 V CB -0.716 31.044 31.823 -0.105 0.000 0.648 274 V HN 0.566 nan 8.190 nan 0.000 0.447 275 I N 0.160 120.662 120.570 -0.113 0.000 2.163 275 I HA -0.272 3.899 4.170 0.002 0.000 0.243 275 I C 2.649 178.742 176.117 -0.040 0.000 1.085 275 I CA 1.972 63.221 61.300 -0.084 0.000 1.347 275 I CB -0.285 37.621 38.000 -0.156 0.000 1.044 275 I HN 0.364 nan 8.210 nan 0.000 0.408 276 E N 1.267 121.420 120.200 -0.078 0.000 2.072 276 E HA -0.133 4.218 4.350 0.002 0.000 0.191 276 E C 2.136 178.837 176.600 0.167 0.000 0.985 276 E CA 1.547 57.953 56.400 0.010 0.000 0.801 276 E CB -0.538 29.100 29.700 -0.103 0.000 0.750 276 E HN 0.377 nan 8.360 nan 0.000 0.452 277 G N 0.156 109.007 108.800 0.085 0.000 2.448 277 G HA2 -0.201 3.760 3.960 0.002 0.000 0.219 277 G HA3 -0.201 3.760 3.960 0.002 0.000 0.219 277 G C 1.661 176.781 174.900 0.366 0.000 1.127 277 G CA 0.854 46.111 45.100 0.263 0.000 0.766 277 G HN 0.433 nan 8.290 nan 0.000 0.552 278 A N 1.021 123.966 122.820 0.208 0.000 1.978 278 A HA -0.046 4.275 4.320 0.002 0.000 0.220 278 A C 2.272 179.961 177.584 0.176 0.000 1.170 278 A CA 1.938 54.075 52.037 0.167 0.000 0.636 278 A CB -0.348 18.704 19.000 0.086 0.000 0.810 278 A HN 0.402 nan 8.150 nan 0.000 0.448 279 K N -1.460 119.057 120.400 0.194 0.000 2.034 279 K HA -0.217 4.104 4.320 0.002 0.000 0.214 279 K C 1.800 178.484 176.600 0.139 0.000 1.051 279 K CA 1.882 58.254 56.287 0.142 0.000 0.931 279 K CB -0.446 32.142 32.500 0.147 0.000 0.715 279 K HN 0.547 nan 8.250 nan 0.000 0.446 280 F N 2.027 122.035 119.950 0.098 0.000 2.075 280 F HA -0.205 4.323 4.527 0.002 0.000 0.297 280 F C 1.963 177.834 175.800 0.118 0.000 1.113 280 F CA 1.208 59.250 58.000 0.069 0.000 1.218 280 F CB -0.149 38.951 39.000 0.168 0.000 0.984 280 F HN -0.119 nan 8.300 nan 0.000 0.472 281 I N 0.518 121.209 120.570 0.202 0.000 2.185 281 I HA -0.305 3.866 4.170 0.002 0.000 0.246 281 I C 1.868 177.929 176.117 -0.093 0.000 1.088 281 I CA 1.439 62.765 61.300 0.043 0.000 1.347 281 I CB -1.309 36.786 38.000 0.158 0.000 1.041 281 I HN 0.278 nan 8.210 nan 0.000 0.415 282 M N -0.162 119.410 119.600 -0.047 0.000 2.581 282 M HA 0.222 4.703 4.480 0.002 0.000 0.224 282 M C 1.476 177.719 176.300 -0.096 0.000 1.171 282 M CA 0.455 55.720 55.300 -0.058 0.000 0.993 282 M CB -0.845 31.747 32.600 -0.014 0.000 1.685 282 M HN 0.460 nan 8.290 nan 0.000 0.479 283 G N -0.334 108.360 108.800 -0.178 0.000 2.316 283 G HA2 -0.176 3.785 3.960 0.002 0.000 0.203 283 G HA3 -0.176 3.785 3.960 0.002 0.000 0.203 283 G C 0.099 174.906 174.900 -0.155 0.000 0.999 283 G CA -0.254 44.745 45.100 -0.169 0.000 0.649 283 G HN 0.425 nan 8.290 nan 0.000 0.489 284 D N 1.906 122.233 120.400 -0.122 0.000 2.363 284 D HA 0.406 5.047 4.640 0.002 0.000 0.263 284 D C 1.795 178.040 176.300 -0.091 0.000 1.258 284 D CA 0.740 54.687 54.000 -0.088 0.000 0.907 284 D CB 0.872 41.637 40.800 -0.058 0.000 1.107 284 D HN 0.384 nan 8.370 nan 0.000 0.495 285 S N 1.241 116.894 115.700 -0.078 0.000 2.558 285 S HA -0.082 4.389 4.470 0.002 0.000 0.217 285 S C 1.659 176.225 174.600 -0.057 0.000 0.975 285 S CA 0.372 58.550 58.200 -0.036 0.000 0.912 285 S CB 0.065 63.244 63.200 -0.036 0.000 0.776 285 S HN 0.378 nan 8.310 nan 0.000 0.526 286 S N 1.792 117.428 115.700 -0.106 0.000 2.492 286 S HA 0.035 4.506 4.470 0.002 0.000 0.218 286 S C 1.912 176.347 174.600 -0.274 0.000 1.016 286 S CA 0.430 58.544 58.200 -0.143 0.000 0.916 286 S CB -0.835 62.303 63.200 -0.103 0.000 0.791 286 S HN 0.564 nan 8.310 nan 0.000 0.513 287 V N 0.347 120.027 119.914 -0.390 0.000 2.324 287 V HA -0.260 3.861 4.120 0.002 0.000 0.250 287 V C 2.680 177.963 176.094 -1.352 0.000 1.060 287 V CA 2.153 63.986 62.300 -0.780 0.000 1.042 287 V CB -1.628 29.704 31.823 -0.818 0.000 0.650 287 V HN 0.491 nan 8.190 nan 0.000 0.450 288 Q N 0.105 119.230 119.800 -1.125 0.000 2.062 288 Q HA -0.291 4.050 4.340 0.002 0.000 0.209 288 Q C 2.217 177.958 176.000 -0.431 0.000 0.996 288 Q CA 2.513 57.770 55.803 -0.910 0.000 0.859 288 Q CB -0.254 28.204 28.738 -0.467 0.000 0.920 288 Q HN 0.741 nan 8.270 nan 0.000 0.415 289 D N -0.399 119.829 120.400 -0.287 0.000 2.144 289 D HA -0.138 4.503 4.640 0.002 0.000 0.200 289 D C 1.920 178.158 176.300 -0.104 0.000 0.978 289 D CA 0.933 54.856 54.000 -0.129 0.000 0.833 289 D CB -0.027 40.721 40.800 -0.087 0.000 0.961 289 D HN 0.375 nan 8.370 nan 0.000 0.470 290 Q N -0.251 119.433 119.800 -0.193 0.000 2.050 290 Q HA -0.160 4.181 4.340 0.002 0.000 0.202 290 Q C 2.236 178.258 176.000 0.037 0.000 0.980 290 Q CA 1.077 56.821 55.803 -0.098 0.000 0.840 290 Q CB -0.077 28.573 28.738 -0.146 0.000 0.898 290 Q HN 0.392 nan 8.270 nan 0.000 0.424 291 W N 1.259 122.502 121.300 -0.096 0.000 2.338 291 W HA -0.143 4.518 4.660 0.002 0.000 0.304 291 W C 2.085 178.564 176.519 -0.067 0.000 1.212 291 W CA 0.794 58.073 57.345 -0.109 0.000 1.264 291 W CB -0.910 28.443 29.460 -0.179 0.000 1.142 291 W HN 0.204 nan 8.180 nan 0.000 0.512 292 K N 0.463 120.971 120.400 0.180 0.000 2.063 292 K HA -0.198 4.123 4.320 0.002 0.000 0.208 292 K C 1.858 178.524 176.600 0.110 0.000 1.048 292 K CA 1.688 58.062 56.287 0.144 0.000 0.928 292 K CB -0.053 32.506 32.500 0.098 0.000 0.713 292 K HN -0.081 nan 8.250 nan 0.000 0.442 293 E N 0.629 120.874 120.200 0.074 0.000 2.028 293 E HA -0.174 4.177 4.350 0.002 0.000 0.191 293 E C 2.075 178.676 176.600 0.000 0.000 0.988 293 E CA 0.874 57.318 56.400 0.072 0.000 0.799 293 E CB -0.228 29.507 29.700 0.059 0.000 0.755 293 E HN 0.205 nan 8.360 nan 0.000 0.447 294 L N 1.517 122.703 121.223 -0.062 0.000 2.131 294 L HA -0.151 4.190 4.340 0.002 0.000 0.210 294 L C 2.551 179.067 176.870 -0.590 0.000 1.092 294 L CA 1.786 56.473 54.840 -0.255 0.000 0.759 294 L CB -1.222 40.794 42.059 -0.071 0.000 0.903 294 L HN 0.124 nan 8.230 nan 0.000 0.435 295 S N -1.627 113.914 115.700 -0.265 0.000 2.453 295 S HA -0.171 4.300 4.470 0.002 0.000 0.231 295 S C 0.683 175.209 174.600 -0.124 0.000 1.005 295 S CA 0.549 58.623 58.200 -0.210 0.000 0.949 295 S CB -0.798 62.482 63.200 0.132 0.000 0.774 295 S HN 0.664 nan 8.310 nan 0.000 0.510 296 H N 1.454 120.598 119.070 0.123 0.000 2.756 296 H HA -0.135 4.422 4.556 0.002 0.000 0.315 296 H C 0.896 176.332 175.328 0.180 0.000 1.210 296 H CA 0.603 56.718 56.048 0.112 0.000 1.150 296 H CB -2.084 27.714 29.762 0.059 0.000 1.463 296 H HN 0.864 nan 8.280 nan 0.000 0.427 297 E N -0.169 120.224 120.200 0.322 0.000 2.409 297 E HA -0.082 4.269 4.350 0.002 0.000 0.198 297 E C 0.378 177.024 176.600 0.076 0.000 1.024 297 E CA 0.879 57.420 56.400 0.235 0.000 0.861 297 E CB 0.381 30.199 29.700 0.197 0.000 0.788 297 E HN 0.481 nan 8.360 nan 0.000 0.521 298 D N 0.000 120.460 120.400 0.100 0.000 6.856 298 D HA 0.000 4.641 4.640 0.002 0.000 0.175 298 D CA 0.000 54.028 54.000 0.046 0.000 0.868 298 D CB 0.000 40.829 40.800 0.049 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683