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 1d4d_1_A DATA FIRST_RESID 4 DATA SEQUENCE VLADFHGEMG GCDSCHVSDK GGVTNDNLTH ENGQCVSCHG DLKELAAAAP DATA SEQUENCE XXXVSPHKSH LIGEIACTSC HKGHEKSVAY CDACHSFGFD MPFGGKWERK DATA SEQUENCE FVPVDADKAA QDKAIAAGVK ETTDVVIIGS GGAGLAAAVS ARDAGAKVIL DATA SEQUENCE LEKEPIPGGN TKLAAGGMNA AETKPQAKLG IEDKKQIMID DTMKGGRNIN DATA SEQUENCE DPELVKVLAN NSSDSIDWLT SMGADMTDVG RMGGASVNRS HRPTGGAGVG DATA SEQUENCE AHVAQVLWDN AVKRGTDIRL NSRVVRILED XXGKVTGVLV KGEYTGYYVI DATA SEQUENCE KADAVVIAAG GFAKNNERVS KYDPKLKGFK ATNHPGATGD GLDVALQAGA DATA SEQUENCE ATRDLQYIQA HPTYSPAGGV MITEAVRGNG AIVVNREGNR FMNEITTRDK DATA SEQUENCE ASAAILQQKG ESAYLVFDDS IRKSLKAIEG YVHLNIVKEG KTIEELAKQI DATA SEQUENCE DVPAAELAKT VTAYNGFVXS GKDAQFERPD LPRELVVAPF YALEIAPAVH DATA SEQUENCE HTMGGLVIDT KAEVKSEKTA KPITGLYAAG EVTGGVHGAN RLGGNAISDI DATA SEQUENCE VTYGRIAGAS AAKFAK 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 175.550 176.094 -0.907 0.000 1.182 4 V CA 0.000 62.078 62.300 -0.371 0.000 1.235 4 V CB 0.000 31.763 31.823 -0.101 0.000 1.184 5 L N 2.153 122.592 121.223 -1.307 0.000 2.095 5 L HA -0.322 4.017 4.340 -0.001 0.000 0.229 5 L C 2.721 179.415 176.870 -0.293 0.000 1.097 5 L CA 3.148 57.483 54.840 -0.841 0.000 0.813 5 L CB -0.425 41.468 42.059 -0.277 0.000 0.907 5 L HN 1.122 nan 8.230 nan 0.000 0.445 6 A N -1.255 121.408 122.820 -0.261 0.000 2.121 6 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 6 A C 1.734 179.327 177.584 0.014 0.000 1.154 6 A CA 1.698 53.653 52.037 -0.137 0.000 0.679 6 A CB -0.347 18.493 19.000 -0.266 0.000 0.795 6 A HN 0.480 nan 8.150 nan 0.000 0.458 7 D N -0.913 119.481 120.400 -0.010 0.000 2.120 7 D HA -0.077 4.562 4.640 -0.001 0.000 0.202 7 D C 1.529 177.881 176.300 0.086 0.000 0.972 7 D CA 0.852 54.880 54.000 0.045 0.000 0.837 7 D CB -0.585 40.242 40.800 0.045 0.000 0.989 7 D HN 0.421 nan 8.370 nan 0.000 0.469 8 F N 1.201 121.107 119.950 -0.074 0.000 2.236 8 F HA -0.209 4.317 4.527 -0.001 0.000 0.302 8 F C 1.678 177.450 175.800 -0.047 0.000 1.073 8 F CA 1.530 59.538 58.000 0.014 0.000 1.336 8 F CB -0.111 38.992 39.000 0.172 0.000 1.040 8 F HN 0.054 nan 8.300 nan 0.000 0.507 9 H N -1.718 117.336 119.070 -0.027 0.000 2.551 9 H HA 0.273 4.828 4.556 -0.001 0.000 0.271 9 H C 2.147 177.431 175.328 -0.073 0.000 0.984 9 H CA 0.573 56.576 56.048 -0.076 0.000 1.164 9 H CB -0.105 29.641 29.762 -0.028 0.000 1.437 9 H HN 0.269 nan 8.280 nan 0.000 0.550 10 G N 0.332 109.153 108.800 0.035 0.000 2.545 10 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.212 10 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.212 10 G C 1.513 176.401 174.900 -0.021 0.000 1.144 10 G CA 0.458 45.575 45.100 0.027 0.000 0.813 10 G HN 0.555 nan 8.290 nan 0.000 0.531 11 E N 0.261 120.422 120.200 -0.065 0.000 2.097 11 E HA -0.166 4.183 4.350 -0.001 0.000 0.196 11 E C 1.977 178.501 176.600 -0.127 0.000 1.000 11 E CA 0.905 57.242 56.400 -0.105 0.000 0.804 11 E CB -0.285 29.324 29.700 -0.151 0.000 0.740 11 E HN 0.430 nan 8.360 nan 0.000 0.454 12 M N 0.397 119.899 119.600 -0.164 0.000 3.145 12 M HA 0.083 4.563 4.480 -0.001 0.000 0.255 12 M C 2.129 178.390 176.300 -0.065 0.000 1.341 12 M CA 1.666 56.887 55.300 -0.133 0.000 1.129 12 M CB -0.394 32.112 32.600 -0.157 0.000 0.885 12 M HN 0.244 nan 8.290 nan 0.000 0.630 13 G N -0.903 107.874 108.800 -0.039 0.000 2.985 13 G HA2 0.448 4.407 3.960 -0.001 0.000 0.209 13 G HA3 0.448 4.407 3.960 -0.001 0.000 0.209 13 G C 0.421 175.324 174.900 0.005 0.000 1.165 13 G CA 0.431 45.521 45.100 -0.016 0.000 0.776 13 G HN 0.927 nan 8.290 nan 0.000 0.541 14 G N -1.532 107.278 108.800 0.017 0.000 2.255 14 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.216 14 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.216 14 G C 0.520 175.456 174.900 0.060 0.000 1.307 14 G CA 0.021 45.142 45.100 0.035 0.000 1.162 14 G HN 0.286 nan 8.290 nan 0.000 0.494 15 C N -0.231 119.117 119.300 0.080 0.000 2.609 15 C HA 0.293 4.753 4.460 -0.001 0.000 0.305 15 C C 2.266 177.337 174.990 0.135 0.000 1.319 15 C CA 1.097 60.198 59.018 0.139 0.000 1.793 15 C CB -0.560 27.272 27.740 0.152 0.000 2.260 15 C HN 0.707 nan 8.230 nan 0.000 0.535 16 D N 1.790 122.248 120.400 0.096 0.000 2.158 16 D HA -0.122 4.517 4.640 -0.001 0.000 0.197 16 D C 2.090 178.428 176.300 0.062 0.000 0.995 16 D CA 1.645 55.696 54.000 0.084 0.000 0.846 16 D CB -0.040 40.792 40.800 0.054 0.000 0.941 16 D HN 0.478 nan 8.370 nan 0.000 0.456 17 S N -0.439 115.278 115.700 0.027 0.000 2.372 17 S HA -0.209 4.260 4.470 -0.001 0.000 0.227 17 S C 2.305 176.874 174.600 -0.051 0.000 1.044 17 S CA 1.432 59.630 58.200 -0.003 0.000 1.050 17 S CB -0.493 62.715 63.200 0.013 0.000 0.901 17 S HN 0.405 nan 8.310 nan 0.000 0.447 18 C N -0.211 119.025 119.300 -0.107 0.000 2.426 18 C HA 0.331 4.791 4.460 -0.001 0.000 0.318 18 C C 1.231 176.169 174.990 -0.087 0.000 1.451 18 C CA -0.627 58.267 59.018 -0.208 0.000 2.090 18 C CB -0.965 26.524 27.740 -0.419 0.000 2.151 18 C HN 0.535 nan 8.230 nan 0.000 0.608 19 H N 0.529 119.670 119.070 0.119 0.000 2.757 19 H HA 0.080 4.635 4.556 -0.001 0.000 0.370 19 H C 1.101 176.520 175.328 0.152 0.000 1.172 19 H CA 0.425 56.557 56.048 0.140 0.000 1.426 19 H CB 0.704 30.506 29.762 0.066 0.000 1.438 19 H HN -0.011 nan 8.280 nan 0.000 0.612 20 V N 1.218 121.197 119.914 0.108 0.000 2.719 20 V HA -0.103 4.017 4.120 -0.001 0.000 0.252 20 V C 1.188 177.257 176.094 -0.042 0.000 1.065 20 V CA 1.699 63.854 62.300 -0.241 0.000 1.086 20 V CB 0.035 31.541 31.823 -0.529 0.000 0.700 20 V HN 0.777 nan 8.190 nan 0.000 0.467 21 S N -0.772 114.940 115.700 0.021 0.000 2.648 21 S HA 0.255 4.724 4.470 -0.001 0.000 0.305 21 S C 0.605 175.236 174.600 0.053 0.000 1.094 21 S CA -0.064 58.145 58.200 0.016 0.000 0.983 21 S CB 1.786 64.974 63.200 -0.019 0.000 1.101 21 S HN 0.400 nan 8.310 nan 0.000 0.514 22 D N 1.269 121.690 120.400 0.034 0.000 2.317 22 D HA 0.064 4.704 4.640 -0.001 0.000 0.211 22 D C 1.844 178.163 176.300 0.031 0.000 0.966 22 D CA 1.311 55.336 54.000 0.042 0.000 0.876 22 D CB -0.733 40.084 40.800 0.028 0.000 0.927 22 D HN 0.641 nan 8.370 nan 0.000 0.519 23 K N 0.982 121.386 120.400 0.007 0.000 2.217 23 K HA 0.368 4.688 4.320 -0.001 0.000 0.202 23 K C 1.440 178.021 176.600 -0.031 0.000 1.051 23 K CA 1.253 57.532 56.287 -0.013 0.000 0.952 23 K CB -0.739 nan 32.500 nan 0.000 0.736 23 K HN 0.611 nan 8.250 nan 0.000 0.453 24 G N -2.532 106.242 108.800 -0.044 0.000 2.337 24 G HA2 0.438 4.397 3.960 -0.001 0.000 0.197 24 G HA3 0.438 4.397 3.960 -0.001 0.000 0.197 24 G C 0.693 175.343 174.900 -0.417 0.000 1.238 24 G CA 0.203 45.199 45.100 -0.172 0.000 1.119 24 G HN 1.946 nan 8.290 nan 0.000 0.514 25 G N -2.216 106.156 108.800 -0.713 0.000 2.750 25 G HA2 0.417 4.376 3.960 -0.001 0.000 0.686 25 G HA3 0.417 4.376 3.960 -0.001 0.000 0.686 25 G C 0.519 175.185 174.900 -0.390 0.000 1.395 25 G CA 0.657 45.472 45.100 -0.475 0.000 0.918 25 G HN 2.361 nan 8.290 nan 0.000 0.594 26 V N 1.009 120.845 119.914 -0.129 0.000 2.686 26 V HA 0.798 4.918 4.120 -0.001 0.000 0.295 26 V C 1.274 177.391 176.094 0.039 0.000 1.057 26 V CA 1.144 63.476 62.300 0.052 0.000 1.012 26 V CB 1.358 33.243 31.823 0.104 0.000 1.006 26 V HN 1.239 nan 8.190 nan 0.000 0.477 27 T N 4.693 119.281 114.554 0.057 0.000 2.755 27 T HA 0.104 4.453 4.350 -0.001 0.000 0.251 27 T C 0.663 175.384 174.700 0.034 0.000 1.044 27 T CA 1.498 63.610 62.100 0.019 0.000 1.154 27 T CB -0.353 68.518 68.868 0.006 0.000 0.866 27 T HN 1.014 nan 8.240 nan 0.000 0.416 28 N N -0.037 118.705 118.700 0.070 0.000 2.577 28 N HA 0.293 5.033 4.740 -0.001 0.000 0.285 28 N C -0.492 175.111 175.510 0.155 0.000 1.309 28 N CA -0.740 52.358 53.050 0.079 0.000 0.798 28 N CB 1.645 40.163 38.487 0.052 0.000 1.463 28 N HN -0.236 nan 8.380 nan 0.000 0.518 29 D N -0.469 120.033 120.400 0.170 0.000 2.317 29 D HA -0.050 4.590 4.640 -0.001 0.000 0.211 29 D C 0.453 176.902 176.300 0.248 0.000 0.966 29 D CA 0.713 54.862 54.000 0.248 0.000 0.876 29 D CB -0.183 40.714 40.800 0.162 0.000 0.927 29 D HN 0.468 nan 8.370 nan 0.000 0.519 30 N N 0.634 119.441 118.700 0.179 0.000 2.459 30 N HA -0.058 4.681 4.740 -0.001 0.000 0.181 30 N C 0.696 176.291 175.510 0.143 0.000 1.046 30 N CA 0.069 53.214 53.050 0.159 0.000 0.904 30 N CB 0.025 38.592 38.487 0.134 0.000 0.964 30 N HN -0.016 nan 8.380 nan 0.000 0.444 31 L N 0.426 121.736 121.223 0.145 0.000 3.717 31 L HA -0.246 4.093 4.340 -0.001 0.000 0.414 31 L C 1.110 178.033 176.870 0.088 0.000 1.228 31 L CA 0.610 55.513 54.840 0.106 0.000 0.918 31 L CB -2.546 39.551 42.059 0.064 0.000 1.865 31 L HN 0.162 nan 8.230 nan 0.000 0.922 32 T N -2.958 111.656 114.554 0.101 0.000 2.759 32 T HA -0.217 4.133 4.350 -0.001 0.000 0.269 32 T C 1.576 176.325 174.700 0.082 0.000 1.042 32 T CA 1.589 63.740 62.100 0.085 0.000 1.140 32 T CB -0.217 68.704 68.868 0.088 0.000 0.864 32 T HN 0.687 nan 8.240 nan 0.000 0.455 33 H N 1.348 120.432 119.070 0.023 0.000 2.270 33 H HA -0.111 4.445 4.556 -0.001 0.000 0.299 33 H C 2.253 177.574 175.328 -0.011 0.000 1.077 33 H CA 1.994 58.050 56.048 0.012 0.000 1.294 33 H CB 0.065 29.843 29.762 0.027 0.000 1.371 33 H HN 0.312 nan 8.280 nan 0.000 0.491 34 E N 0.543 120.730 120.200 -0.021 0.000 2.070 34 E HA -0.172 4.177 4.350 -0.001 0.000 0.197 34 E C 2.106 178.622 176.600 -0.139 0.000 1.004 34 E CA 1.732 58.061 56.400 -0.120 0.000 0.805 34 E CB -0.228 29.428 29.700 -0.074 0.000 0.744 34 E HN 0.547 nan 8.360 nan 0.000 0.451 35 N N -0.519 118.136 118.700 -0.076 0.000 2.244 35 N HA -0.068 4.671 4.740 -0.001 0.000 0.183 35 N C 1.745 177.211 175.510 -0.073 0.000 1.016 35 N CA 1.096 54.112 53.050 -0.056 0.000 0.866 35 N CB -0.249 38.230 38.487 -0.014 0.000 0.980 35 N HN 0.249 nan 8.380 nan 0.000 0.430 36 G N 0.456 109.196 108.800 -0.100 0.000 2.418 36 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 36 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 36 G C 1.464 176.268 174.900 -0.161 0.000 1.158 36 G CA 0.540 45.569 45.100 -0.118 0.000 0.771 36 G HN 0.187 nan 8.290 nan 0.000 0.545 37 Q N 0.059 119.717 119.800 -0.237 0.000 2.119 37 Q HA -0.072 4.268 4.340 -0.001 0.000 0.201 37 Q C 2.856 178.788 176.000 -0.113 0.000 0.972 37 Q CA 1.003 56.686 55.803 -0.199 0.000 0.847 37 Q CB -0.867 27.724 28.738 -0.244 0.000 0.903 37 Q HN 0.549 nan 8.270 nan 0.000 0.433 38 C N -0.174 119.074 119.300 -0.087 0.000 2.393 38 C HA -0.117 4.342 4.460 -0.001 0.000 0.276 38 C C 2.843 177.853 174.990 0.034 0.000 1.215 38 C CA 0.747 59.764 59.018 -0.003 0.000 1.743 38 C CB -1.203 26.522 27.740 -0.025 0.000 2.044 38 C HN 0.248 nan 8.230 nan 0.000 0.464 39 V N 0.778 120.683 119.914 -0.015 0.000 2.427 39 V HA -0.185 3.934 4.120 -0.001 0.000 0.248 39 V C 2.672 178.746 176.094 -0.033 0.000 1.051 39 V CA 2.370 64.661 62.300 -0.016 0.000 1.048 39 V CB -0.873 30.933 31.823 -0.029 0.000 0.666 39 V HN 0.699 nan 8.190 nan 0.000 0.456 40 S N -1.287 114.379 115.700 -0.057 0.000 2.419 40 S HA -0.203 4.266 4.470 -0.001 0.000 0.233 40 S C 1.726 176.271 174.600 -0.091 0.000 1.016 40 S CA 2.038 60.197 58.200 -0.068 0.000 0.974 40 S CB -0.351 62.803 63.200 -0.078 0.000 0.786 40 S HN 0.696 nan 8.310 nan 0.000 0.492 41 C N -0.109 119.110 119.300 -0.135 0.000 3.019 41 C HA 0.441 4.900 4.460 -0.001 0.000 0.295 41 C C 1.813 176.614 174.990 -0.315 0.000 1.256 41 C CA -0.440 58.435 59.018 -0.237 0.000 1.706 41 C CB -0.862 26.673 27.740 -0.342 0.000 2.153 41 C HN 0.632 nan 8.230 nan 0.000 0.618 42 H N 0.270 119.311 119.070 -0.049 0.000 3.046 42 H HA 0.324 4.880 4.556 -0.001 0.000 0.262 42 H C 1.331 176.612 175.328 -0.078 0.000 1.044 42 H CA 1.234 57.245 56.048 -0.061 0.000 1.209 42 H CB 0.693 30.406 29.762 -0.082 0.000 1.507 42 H HN 0.499 nan 8.280 nan 0.000 0.507 43 G N 2.093 110.906 108.800 0.021 0.000 2.707 43 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.686 43 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.686 43 G C -0.718 174.164 174.900 -0.030 0.000 1.315 43 G CA -0.223 44.869 45.100 -0.014 0.000 0.832 43 G HN 0.391 nan 8.290 nan 0.000 0.573 44 D N -0.923 119.452 120.400 -0.041 0.000 2.539 44 D HA 0.572 5.211 4.640 -0.001 0.000 0.276 44 D C 1.966 178.222 176.300 -0.073 0.000 1.206 44 D CA -0.568 53.405 54.000 -0.046 0.000 1.081 44 D CB 0.283 41.067 40.800 -0.027 0.000 1.142 44 D HN 0.416 nan 8.370 nan 0.000 0.595 45 L N -0.790 120.400 121.223 -0.055 0.000 2.046 45 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 45 L C 2.839 179.687 176.870 -0.037 0.000 1.077 45 L CA 2.239 57.048 54.840 -0.051 0.000 0.747 45 L CB -0.905 41.146 42.059 -0.013 0.000 0.896 45 L HN 0.644 nan 8.230 nan 0.000 0.432 46 K N 0.316 120.700 120.400 -0.026 0.000 2.009 46 K HA -0.247 4.073 4.320 -0.001 0.000 0.210 46 K C 1.798 178.382 176.600 -0.026 0.000 1.049 46 K CA 1.952 58.228 56.287 -0.019 0.000 0.929 46 K CB -1.067 31.425 32.500 -0.013 0.000 0.714 46 K HN 0.485 nan 8.250 nan 0.000 0.440 47 E N 0.307 120.485 120.200 -0.036 0.000 2.021 47 E HA -0.175 4.175 4.350 -0.001 0.000 0.200 47 E C 2.240 178.806 176.600 -0.056 0.000 1.015 47 E CA 1.590 57.966 56.400 -0.039 0.000 0.824 47 E CB -0.422 29.255 29.700 -0.039 0.000 0.762 47 E HN 0.498 nan 8.360 nan 0.000 0.454 48 L N 0.669 121.829 121.223 -0.106 0.000 2.127 48 L HA -0.197 4.143 4.340 -0.001 0.000 0.211 48 L C 2.588 179.430 176.870 -0.045 0.000 1.089 48 L CA 1.050 55.797 54.840 -0.155 0.000 0.757 48 L CB -0.571 41.200 42.059 -0.479 0.000 0.899 48 L HN 0.135 nan 8.230 nan 0.000 0.434 49 A N 0.278 123.091 122.820 -0.012 0.000 1.877 49 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 49 A C 2.596 180.184 177.584 0.005 0.000 1.186 49 A CA 1.776 53.827 52.037 0.022 0.000 0.620 49 A CB -0.790 18.217 19.000 0.012 0.000 0.822 49 A HN 0.384 nan 8.150 nan 0.000 0.443 50 A N -0.111 122.705 122.820 -0.006 0.000 1.908 50 A HA 0.133 4.452 4.320 -0.001 0.000 0.218 50 A C 2.457 180.038 177.584 -0.006 0.000 1.181 50 A CA 2.081 54.113 52.037 -0.008 0.000 0.627 50 A CB -1.000 17.993 19.000 -0.010 0.000 0.818 50 A HN 1.149 nan 8.150 nan 0.000 0.445 51 A N -0.448 122.369 122.820 -0.005 0.000 2.070 51 A HA 0.382 4.701 4.320 -0.001 0.000 0.220 51 A C 1.475 179.063 177.584 0.007 0.000 1.159 51 A CA 1.163 53.199 52.037 -0.001 0.000 0.656 51 A CB -0.900 18.098 19.000 -0.004 0.000 0.800 51 A HN 1.066 nan 8.150 nan 0.000 0.453 52 A N 0.456 123.283 122.820 0.012 0.000 2.322 52 A HA 0.547 4.867 4.320 -0.001 0.000 0.269 52 A C -1.282 176.297 177.584 -0.008 0.000 1.094 52 A CA -1.197 50.845 52.037 0.007 0.000 0.807 52 A CB -0.544 18.462 19.000 0.009 0.000 1.047 52 A HN 0.320 nan 8.150 nan 0.000 0.487 58 S N 6.143 121.765 115.700 -0.131 0.000 2.503 58 S HA 0.732 5.201 4.470 -0.001 0.000 0.301 58 S C -1.601 172.837 174.600 -0.271 0.000 1.087 58 S CA -1.548 56.571 58.200 -0.136 0.000 1.042 58 S CB 2.402 65.548 63.200 -0.090 0.000 1.043 58 S HN 0.506 nan 8.310 nan 0.000 0.489 59 P HA 0.005 nan 4.420 nan 0.000 0.230 59 P C 0.152 177.139 177.300 -0.522 0.000 1.158 59 P CA 1.037 63.660 63.100 -0.795 0.000 0.769 59 P CB -0.258 30.639 31.700 -1.338 0.000 0.807 60 H N -0.521 118.433 119.070 -0.194 0.000 2.549 60 H HA 0.202 4.757 4.556 -0.001 0.000 0.279 60 H C 0.737 176.007 175.328 -0.097 0.000 1.018 60 H CA -0.216 55.760 56.048 -0.121 0.000 1.175 60 H CB 0.251 29.961 29.762 -0.086 0.000 1.485 60 H HN 0.138 nan 8.280 nan 0.000 0.543 61 K N 0.775 121.157 120.400 -0.030 0.000 2.615 61 K HA 0.453 4.772 4.320 -0.001 0.000 0.249 61 K C -1.326 175.233 176.600 -0.068 0.000 0.977 61 K CA -0.599 55.668 56.287 -0.033 0.000 0.833 61 K CB 2.011 34.501 32.500 -0.017 0.000 1.208 61 K HN 0.134 nan 8.250 nan 0.000 0.443 62 S N 1.178 116.834 115.700 -0.074 0.000 2.672 62 S HA 0.223 4.693 4.470 -0.001 0.000 0.271 62 S C 0.693 175.247 174.600 -0.077 0.000 1.171 62 S CA -0.378 57.756 58.200 -0.110 0.000 0.817 62 S CB 0.440 63.497 63.200 -0.239 0.000 1.150 62 S HN 0.885 nan 8.310 nan 0.000 0.478 63 H N 0.454 119.553 119.070 0.048 0.000 2.545 63 H HA 0.360 4.915 4.556 -0.001 0.000 0.282 63 H C 0.636 175.979 175.328 0.025 0.000 1.020 63 H CA 0.381 56.456 56.048 0.045 0.000 1.243 63 H CB -0.761 29.043 29.762 0.070 0.000 1.377 63 H HN 0.397 nan 8.280 nan 0.000 0.581 64 L N 1.427 122.572 121.223 -0.130 0.000 2.543 64 L HA -0.002 4.337 4.340 -0.001 0.000 0.285 64 L C 0.546 177.369 176.870 -0.077 0.000 1.236 64 L CA -0.129 54.675 54.840 -0.062 0.000 0.871 64 L CB 0.088 42.069 42.059 -0.131 0.000 1.121 64 L HN 0.392 nan 8.230 nan 0.000 0.501 65 I N -0.130 120.370 120.570 -0.116 0.000 2.947 65 I HA 0.938 5.107 4.170 -0.001 0.000 0.314 65 I C 0.654 176.509 176.117 -0.437 0.000 1.028 65 I CA 0.050 61.232 61.300 -0.197 0.000 1.077 65 I CB 1.447 39.364 38.000 -0.137 0.000 1.274 65 I HN 0.735 nan 8.210 nan 0.000 0.485 66 G N 2.230 110.658 108.800 -0.619 0.000 2.645 66 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.246 66 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.246 66 G C -0.558 173.919 174.900 -0.705 0.000 1.322 66 G CA -0.178 44.152 45.100 -1.284 0.000 0.898 66 G HN 0.943 nan 8.290 nan 0.000 0.573 67 E N -0.177 119.635 120.200 -0.647 0.000 2.299 67 E HA 0.379 4.728 4.350 -0.001 0.000 0.272 67 E C 0.386 176.860 176.600 -0.209 0.000 1.043 67 E CA -0.182 56.106 56.400 -0.187 0.000 0.895 67 E CB 1.110 30.847 29.700 0.062 0.000 1.011 67 E HN 0.787 nan 8.360 nan 0.000 0.432 68 I N 1.744 122.231 120.570 -0.138 0.000 2.388 68 I HA 0.361 4.530 4.170 -0.001 0.000 0.281 68 I C -0.079 176.007 176.117 -0.052 0.000 1.046 68 I CA -0.550 60.677 61.300 -0.123 0.000 1.187 68 I CB 0.517 38.435 38.000 -0.137 0.000 1.351 68 I HN 0.436 nan 8.210 nan 0.000 0.472 69 A N 5.309 128.109 122.820 -0.033 0.000 2.555 69 A HA 0.038 4.357 4.320 -0.001 0.000 0.233 69 A C 1.370 178.970 177.584 0.027 0.000 1.060 69 A CA 0.012 52.054 52.037 0.007 0.000 0.759 69 A CB 0.007 19.023 19.000 0.027 0.000 0.995 69 A HN 0.998 nan 8.150 nan 0.000 0.506 70 C N 0.486 119.812 119.300 0.043 0.000 2.425 70 C HA -0.108 4.351 4.460 -0.001 0.000 0.277 70 C C 2.698 177.766 174.990 0.129 0.000 1.280 70 C CA 1.503 60.581 59.018 0.100 0.000 1.744 70 C CB -1.657 26.112 27.740 0.048 0.000 1.989 70 C HN 0.963 nan 8.230 nan 0.000 0.491 71 T N 0.217 114.810 114.554 0.065 0.000 3.160 71 T HA -0.060 4.289 4.350 -0.001 0.000 0.257 71 T C 1.560 176.305 174.700 0.074 0.000 1.147 71 T CA 1.186 63.316 62.100 0.051 0.000 1.064 71 T CB -0.487 68.375 68.868 -0.010 0.000 0.949 71 T HN 0.687 nan 8.240 nan 0.000 0.526 72 S N -0.208 115.537 115.700 0.075 0.000 2.481 72 S HA -0.027 4.442 4.470 -0.001 0.000 0.231 72 S C 1.813 176.503 174.600 0.149 0.000 0.996 72 S CA 0.424 58.682 58.200 0.097 0.000 0.942 72 S CB -0.807 62.396 63.200 0.006 0.000 0.768 72 S HN 0.689 nan 8.310 nan 0.000 0.520 73 C N -0.249 119.102 119.300 0.085 0.000 2.544 73 C HA 0.363 4.823 4.460 -0.001 0.000 0.475 73 C C 0.677 175.641 174.990 -0.044 0.000 1.360 73 C CA -0.547 58.482 59.018 0.017 0.000 2.555 73 C CB -0.719 26.942 27.740 -0.131 0.000 3.012 73 C HN 0.548 nan 8.230 nan 0.000 0.552 74 H N 3.011 122.112 119.070 0.051 0.000 3.109 74 H HA 0.214 4.770 4.556 -0.001 0.000 0.266 74 H C -0.260 175.058 175.328 -0.017 0.000 1.334 74 H CA 0.508 56.573 56.048 0.028 0.000 1.456 74 H CB 0.107 29.872 29.762 0.005 0.000 1.587 74 H HN 0.309 nan 8.280 nan 0.000 0.500 75 K N 1.637 122.085 120.400 0.081 0.000 2.249 75 K HA 0.112 4.431 4.320 -0.001 0.000 0.280 75 K C 1.376 177.918 176.600 -0.096 0.000 1.033 75 K CA -0.221 56.067 56.287 0.002 0.000 0.946 75 K CB 1.602 34.119 32.500 0.029 0.000 1.005 75 K HN 0.613 nan 8.250 nan 0.000 0.469 76 G N 2.321 110.994 108.800 -0.213 0.000 2.616 76 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.215 76 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.215 76 G C 0.700 175.310 174.900 -0.483 0.000 1.284 76 G CA 0.346 45.179 45.100 -0.446 0.000 0.823 76 G HN 0.654 nan 8.290 nan 0.000 0.569 77 H N 1.265 120.317 119.070 -0.030 0.000 2.555 77 H HA 0.236 4.791 4.556 -0.001 0.000 0.283 77 H C 0.579 175.906 175.328 -0.002 0.000 1.037 77 H CA 0.858 56.899 56.048 -0.011 0.000 1.169 77 H CB 0.013 29.781 29.762 0.010 0.000 1.375 77 H HN 0.621 nan 8.280 nan 0.000 0.582 78 E N 0.165 120.388 120.200 0.039 0.000 2.454 78 E HA 0.258 4.607 4.350 -0.001 0.000 0.279 78 E C -0.915 175.709 176.600 0.041 0.000 1.029 78 E CA -0.927 55.504 56.400 0.052 0.000 0.831 78 E CB 1.831 31.570 29.700 0.065 0.000 1.405 78 E HN -0.083 nan 8.360 nan 0.000 0.463 79 K N 0.598 121.034 120.400 0.061 0.000 2.344 79 K HA 0.144 4.464 4.320 -0.001 0.000 0.260 79 K C 0.048 176.702 176.600 0.091 0.000 0.988 79 K CA 0.589 56.932 56.287 0.093 0.000 0.909 79 K CB 0.374 32.927 32.500 0.089 0.000 0.968 79 K HN 0.586 nan 8.250 nan 0.000 0.505 80 S N -0.463 115.314 115.700 0.127 0.000 2.537 80 S HA 0.645 5.114 4.470 -0.001 0.000 0.301 80 S C -0.590 174.066 174.600 0.093 0.000 1.092 80 S CA -0.951 57.312 58.200 0.105 0.000 1.048 80 S CB 1.620 64.908 63.200 0.146 0.000 1.053 80 S HN 0.249 nan 8.310 nan 0.000 0.501 81 V N 1.006 120.978 119.914 0.096 0.000 2.808 81 V HA 0.745 4.864 4.120 -0.001 0.000 0.308 81 V C 0.340 176.525 176.094 0.153 0.000 1.099 81 V CA -0.957 61.434 62.300 0.152 0.000 0.920 81 V CB 1.433 33.411 31.823 0.259 0.000 1.014 81 V HN 1.292 nan 8.190 nan 0.000 0.425 82 A N 2.414 125.310 122.820 0.128 0.000 2.520 82 A HA 0.257 4.576 4.320 -0.001 0.000 0.245 82 A C 0.545 178.270 177.584 0.235 0.000 1.072 82 A CA 0.246 52.345 52.037 0.104 0.000 0.761 82 A CB -0.234 18.848 19.000 0.137 0.000 1.004 82 A HN 1.057 nan 8.150 nan 0.000 0.499 83 Y N 1.836 122.203 120.300 0.111 0.000 2.421 83 Y HA -0.191 4.358 4.550 -0.000 0.000 0.292 83 Y C 2.196 178.077 175.900 -0.031 0.000 1.136 83 Y CA 2.021 60.190 58.100 0.116 0.000 1.255 83 Y CB -0.147 38.378 38.460 0.108 0.000 0.991 83 Y HN 0.712 nan 8.280 nan 0.000 0.552 84 C N 0.393 119.812 119.300 0.199 0.000 2.410 84 C HA -0.197 4.262 4.460 -0.001 0.000 0.281 84 C C 1.936 176.962 174.990 0.059 0.000 1.318 84 C CA 1.148 60.321 59.018 0.259 0.000 1.776 84 C CB -1.013 27.082 27.740 0.591 0.000 1.942 84 C HN 0.548 nan 8.230 nan 0.000 0.508 85 D N 1.147 121.524 120.400 -0.038 0.000 2.371 85 D HA 0.032 4.671 4.640 -0.001 0.000 0.221 85 D C 2.071 177.965 176.300 -0.676 0.000 0.986 85 D CA 1.036 54.922 54.000 -0.190 0.000 0.899 85 D CB -0.348 40.467 40.800 0.026 0.000 0.902 85 D HN 0.547 nan 8.370 nan 0.000 0.530 86 A N -0.043 122.034 122.820 -1.239 0.000 1.908 86 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 86 A C 2.196 179.325 177.584 -0.760 0.000 1.181 86 A CA 1.321 52.365 52.037 -1.655 0.000 0.627 86 A CB -0.404 17.628 19.000 -1.614 0.000 0.818 86 A HN 0.405 nan 8.150 nan 0.000 0.445 87 C N -2.348 116.626 119.300 -0.543 0.000 2.964 87 C HA 0.357 4.816 4.460 -0.001 0.000 0.358 87 C C 0.989 175.657 174.990 -0.536 0.000 1.289 87 C CA -0.702 58.037 59.018 -0.465 0.000 1.856 87 C CB -0.810 26.632 27.740 -0.497 0.000 2.488 87 C HN 0.569 nan 8.230 nan 0.000 0.604 88 H N 0.795 119.639 119.070 -0.377 0.000 2.713 88 H HA 0.465 5.021 4.556 -0.001 0.000 0.340 88 H C -0.392 174.632 175.328 -0.506 0.000 1.271 88 H CA 0.036 55.728 56.048 -0.593 0.000 1.306 88 H CB 1.306 30.320 29.762 -1.247 0.000 1.839 88 H HN 0.154 nan 8.280 nan 0.000 0.627 89 S N 0.639 116.100 115.700 -0.398 0.000 2.216 89 S HA 0.250 4.719 4.470 -0.001 0.000 0.156 89 S C 0.067 174.541 174.600 -0.210 0.000 1.665 89 S CA -0.669 57.394 58.200 -0.228 0.000 1.262 89 S CB -0.602 62.522 63.200 -0.127 0.000 1.207 89 S HN 0.469 nan 8.310 nan 0.000 0.427 90 F N 2.116 121.917 119.950 -0.247 0.000 2.710 90 F HA 0.244 4.770 4.527 -0.000 0.000 0.298 90 F C 1.830 177.305 175.800 -0.542 0.000 1.137 90 F CA -0.014 57.660 58.000 -0.545 0.000 1.444 90 F CB 0.080 38.376 39.000 -1.174 0.000 1.111 90 F HN 0.775 nan 8.300 nan 0.000 0.580 91 G N 1.813 110.537 108.800 -0.127 0.000 2.386 91 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.295 91 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.295 91 G C -0.100 174.758 174.900 -0.069 0.000 0.979 91 G CA -0.252 44.812 45.100 -0.059 0.000 1.193 91 G HN 0.288 nan 8.290 nan 0.000 0.508 92 F N -0.400 119.594 119.950 0.073 0.000 2.403 92 F HA 0.376 4.902 4.527 -0.001 0.000 0.320 92 F C 1.069 176.868 175.800 -0.001 0.000 1.176 92 F CA 0.040 58.049 58.000 0.015 0.000 1.206 92 F CB 0.889 39.889 39.000 0.000 0.000 1.235 92 F HN 0.201 nan 8.300 nan 0.000 0.565 93 D N 2.634 123.146 120.400 0.188 0.000 2.485 93 D HA 0.177 4.816 4.640 -0.001 0.000 0.256 93 D C -0.683 175.642 176.300 0.043 0.000 1.141 93 D CA -0.611 53.436 54.000 0.080 0.000 0.942 93 D CB 0.293 41.113 40.800 0.033 0.000 1.003 93 D HN 0.286 nan 8.370 nan 0.000 0.507 94 M N 4.547 124.178 119.600 0.053 0.000 2.227 94 M HA 0.333 4.812 4.480 -0.001 0.000 0.349 94 M C -2.349 173.927 176.300 -0.040 0.000 1.443 94 M CA -1.829 53.475 55.300 0.007 0.000 1.110 94 M CB 0.657 33.270 32.600 0.022 0.000 1.773 94 M HN 0.088 nan 8.290 nan 0.000 0.463 95 P HA 0.025 nan 4.420 nan 0.000 0.264 95 P C -0.651 176.491 177.300 -0.262 0.000 1.193 95 P CA 0.433 63.317 63.100 -0.360 0.000 0.763 95 P CB -0.243 31.217 31.700 -0.401 0.000 0.810 96 F N -0.614 119.326 119.950 -0.016 0.000 3.074 96 F HA -0.206 4.320 4.527 -0.001 0.000 0.289 96 F C 1.445 177.260 175.800 0.026 0.000 0.863 96 F CA 0.402 58.406 58.000 0.008 0.000 1.121 96 F CB -2.278 36.737 39.000 0.024 0.000 1.169 96 F HN 0.479 nan 8.300 nan 0.000 0.570 97 G N 0.461 109.320 108.800 0.099 0.000 2.818 97 G HA2 0.397 4.356 3.960 -0.001 0.000 0.235 97 G HA3 0.397 4.356 3.960 -0.001 0.000 0.235 97 G C 0.572 175.530 174.900 0.098 0.000 1.244 97 G CA 0.362 45.515 45.100 0.088 0.000 0.853 97 G HN 1.008 nan 8.290 nan 0.000 0.596 98 G N -1.844 107.012 108.800 0.093 0.000 2.559 98 G HA2 0.761 4.721 3.960 -0.001 0.000 0.291 98 G HA3 0.761 4.721 3.960 -0.001 0.000 0.291 98 G C -0.846 174.110 174.900 0.094 0.000 1.424 98 G CA 0.111 45.260 45.100 0.082 0.000 0.786 98 G HN 1.021 nan 8.290 nan 0.000 0.485 99 K N -0.015 120.433 120.400 0.079 0.000 2.130 99 K HA 0.590 4.909 4.320 -0.001 0.000 0.268 99 K C -0.114 176.561 176.600 0.124 0.000 0.983 99 K CA -0.749 55.602 56.287 0.107 0.000 0.893 99 K CB 1.239 33.788 32.500 0.081 0.000 1.066 99 K HN 0.901 nan 8.250 nan 0.000 0.450 100 W N 3.259 124.568 121.300 0.015 0.000 2.251 100 W HA 0.324 4.983 4.660 -0.002 0.000 0.327 100 W C -0.797 175.723 176.519 0.001 0.000 1.361 100 W CA 0.448 57.794 57.345 0.000 0.000 1.234 100 W CB 0.357 29.802 29.460 -0.026 0.000 1.212 100 W HN 0.850 nan 8.180 nan 0.000 0.557 101 E N 4.910 124.743 120.200 -0.611 0.000 2.311 101 E HA 0.462 4.812 4.350 -0.001 0.000 0.281 101 E C -1.315 174.985 176.600 -0.501 0.000 0.905 101 E CA -0.796 55.391 56.400 -0.356 0.000 0.778 101 E CB 1.581 31.192 29.700 -0.149 0.000 1.240 101 E HN 0.312 nan 8.360 nan 0.000 0.410 102 R N 1.274 121.619 120.500 -0.258 0.000 2.561 102 R HA 0.759 5.098 4.340 -0.001 0.000 0.297 102 R C -1.007 175.279 176.300 -0.023 0.000 0.969 102 R CA -0.889 55.113 56.100 -0.164 0.000 0.879 102 R CB 1.840 32.117 30.300 -0.038 0.000 1.178 102 R HN 0.704 nan 8.270 nan 0.000 0.445 103 K N 3.634 124.021 120.400 -0.022 0.000 2.367 103 K HA 0.247 4.566 4.320 -0.001 0.000 0.263 103 K C -0.672 175.963 176.600 0.059 0.000 1.000 103 K CA -0.670 55.635 56.287 0.029 0.000 0.891 103 K CB 0.767 33.265 32.500 -0.004 0.000 1.117 103 K HN 0.552 nan 8.250 nan 0.000 0.443 104 F N 2.978 122.926 119.950 -0.003 0.000 2.571 104 F HA 0.354 4.880 4.527 -0.002 0.000 0.384 104 F C -0.109 175.690 175.800 -0.001 0.000 1.058 104 F CA 0.141 58.143 58.000 0.003 0.000 1.200 104 F CB 0.517 39.524 39.000 0.012 0.000 1.077 104 F HN 0.260 nan 8.300 nan 0.000 0.558 105 V N 8.793 128.234 119.914 -0.789 0.000 2.448 105 V HA 0.334 4.453 4.120 -0.001 0.000 0.295 105 V C -1.883 173.730 176.094 -0.802 0.000 1.025 105 V CA -1.859 60.097 62.300 -0.572 0.000 0.859 105 V CB 1.489 33.146 31.823 -0.278 0.000 0.988 105 V HN 0.674 nan 8.190 nan 0.000 0.431 106 P HA 0.013 nan 4.420 nan 0.000 0.264 106 P C 0.935 178.130 177.300 -0.176 0.000 1.183 106 P CA 0.242 63.202 63.100 -0.233 0.000 0.763 106 P CB 0.832 32.502 31.700 -0.050 0.000 0.807 107 V N 1.059 120.913 119.914 -0.100 0.000 2.913 107 V HA -0.160 3.959 4.120 -0.001 0.000 0.260 107 V C 2.227 178.311 176.094 -0.016 0.000 1.098 107 V CA 2.538 64.814 62.300 -0.040 0.000 1.121 107 V CB -1.685 30.152 31.823 0.024 0.000 0.714 107 V HN 0.679 nan 8.190 nan 0.000 0.487 108 D N -0.506 119.884 120.400 -0.017 0.000 2.449 108 D HA 0.581 5.221 4.640 -0.001 0.000 0.210 108 D C 1.140 177.428 176.300 -0.021 0.000 1.094 108 D CA 0.658 54.648 54.000 -0.016 0.000 0.846 108 D CB 0.265 41.059 40.800 -0.009 0.000 1.003 108 D HN 0.614 nan 8.370 nan 0.000 0.504 109 A N 0.182 122.988 122.820 -0.024 0.000 2.406 109 A HA 0.452 4.771 4.320 -0.001 0.000 0.243 109 A C 0.848 178.428 177.584 -0.007 0.000 1.082 109 A CA 0.792 52.817 52.037 -0.020 0.000 0.786 109 A CB 0.167 19.149 19.000 -0.030 0.000 1.029 109 A HN 0.302 nan 8.150 nan 0.000 0.495 110 D N -1.336 119.061 120.400 -0.004 0.000 2.775 110 D HA -0.149 4.491 4.640 -0.001 0.000 0.235 110 D C 1.118 177.395 176.300 -0.039 0.000 1.120 110 D CA 2.012 56.017 54.000 0.007 0.000 0.708 110 D CB -1.193 39.648 40.800 0.069 0.000 1.084 110 D HN 0.901 nan 8.370 nan 0.000 0.434 111 K N -0.078 120.293 120.400 -0.049 0.000 2.062 111 K HA 0.355 4.675 4.320 -0.001 0.000 0.205 111 K C 2.448 178.995 176.600 -0.089 0.000 1.051 111 K CA 1.918 58.162 56.287 -0.073 0.000 0.941 111 K CB -0.822 31.648 32.500 -0.051 0.000 0.719 111 K HN 0.485 nan 8.250 nan 0.000 0.440 112 A N 1.396 124.179 122.820 -0.062 0.000 1.849 112 A HA 0.079 4.399 4.320 -0.001 0.000 0.217 112 A C 2.813 180.344 177.584 -0.087 0.000 1.202 112 A CA 2.947 54.949 52.037 -0.059 0.000 0.629 112 A CB -1.253 17.726 19.000 -0.035 0.000 0.834 112 A HN 1.080 nan 8.150 nan 0.000 0.447 113 A N -0.899 121.871 122.820 -0.083 0.000 1.884 113 A HA -0.333 3.987 4.320 -0.001 0.000 0.219 113 A C 2.129 179.524 177.584 -0.315 0.000 1.197 113 A CA 2.186 54.154 52.037 -0.115 0.000 0.637 113 A CB -0.879 18.114 19.000 -0.012 0.000 0.827 113 A HN 0.704 nan 8.150 nan 0.000 0.450 114 Q N -0.695 118.841 119.800 -0.441 0.000 2.096 114 Q HA -0.200 4.140 4.340 -0.001 0.000 0.204 114 Q C 1.633 177.450 176.000 -0.304 0.000 0.982 114 Q CA 1.550 57.012 55.803 -0.567 0.000 0.850 114 Q CB -0.261 28.230 28.738 -0.411 0.000 0.901 114 Q HN 0.675 nan 8.270 nan 0.000 0.422 115 D N 0.640 120.929 120.400 -0.186 0.000 2.097 115 D HA -0.108 4.532 4.640 -0.001 0.000 0.197 115 D C 1.697 177.940 176.300 -0.096 0.000 0.984 115 D CA 1.052 54.982 54.000 -0.116 0.000 0.826 115 D CB -0.102 40.649 40.800 -0.081 0.000 0.973 115 D HN 0.189 nan 8.370 nan 0.000 0.460 116 K N 1.037 121.382 120.400 -0.092 0.000 2.015 116 K HA -0.142 4.177 4.320 -0.001 0.000 0.216 116 K C 2.144 178.708 176.600 -0.060 0.000 1.052 116 K CA 1.584 57.835 56.287 -0.059 0.000 0.937 116 K CB -0.248 32.226 32.500 -0.042 0.000 0.719 116 K HN 0.041 nan 8.250 nan 0.000 0.446 117 A N 1.005 123.765 122.820 -0.100 0.000 2.121 117 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 117 A C 2.009 179.562 177.584 -0.052 0.000 1.154 117 A CA 1.058 53.055 52.037 -0.067 0.000 0.679 117 A CB -0.604 18.330 19.000 -0.109 0.000 0.795 117 A HN 0.224 nan 8.150 nan 0.000 0.458 118 I N -0.773 119.752 120.570 -0.076 0.000 2.353 118 I HA -0.177 3.993 4.170 -0.001 0.000 0.248 118 I C 2.787 178.895 176.117 -0.014 0.000 1.119 118 I CA 0.998 62.273 61.300 -0.043 0.000 1.417 118 I CB -0.236 37.731 38.000 -0.055 0.000 1.078 118 I HN 0.334 nan 8.210 nan 0.000 0.421 119 A N 0.834 123.644 122.820 -0.017 0.000 2.016 119 A HA 0.174 4.493 4.320 -0.001 0.000 0.217 119 A C 2.117 179.705 177.584 0.006 0.000 1.162 119 A CA 0.822 52.855 52.037 -0.005 0.000 0.662 119 A CB -0.490 18.504 19.000 -0.010 0.000 0.812 119 A HN 0.339 nan 8.150 nan 0.000 0.450 120 A N -0.198 122.627 122.820 0.009 0.000 2.004 120 A HA 0.440 4.760 4.320 -0.001 0.000 0.212 120 A C 1.215 178.817 177.584 0.031 0.000 1.442 120 A CA 1.159 53.208 52.037 0.020 0.000 1.450 120 A CB -1.701 17.314 19.000 0.025 0.000 0.749 120 A HN 2.015 nan 8.150 nan 0.000 0.591 121 G N -2.455 106.362 108.800 0.028 0.000 2.362 121 G HA2 0.245 4.205 3.960 -0.001 0.000 0.517 121 G HA3 0.245 4.205 3.960 -0.001 0.000 0.517 121 G C -0.933 173.991 174.900 0.040 0.000 1.256 121 G CA -0.333 44.786 45.100 0.032 0.000 1.027 121 G HN 1.134 nan 8.290 nan 0.000 0.491 122 V N 1.429 121.371 119.914 0.045 0.000 2.719 122 V HA 0.361 4.480 4.120 -0.001 0.000 0.289 122 V C 0.679 176.805 176.094 0.053 0.000 1.167 122 V CA -0.166 62.168 62.300 0.055 0.000 0.929 122 V CB 1.401 33.252 31.823 0.047 0.000 1.050 122 V HN 0.921 nan 8.190 nan 0.000 0.448 123 K N 2.978 123.423 120.400 0.075 0.000 2.054 123 K HA 0.221 4.540 4.320 -0.001 0.000 0.207 123 K C 0.491 177.122 176.600 0.051 0.000 1.031 123 K CA 0.545 56.867 56.287 0.058 0.000 0.952 123 K CB 0.499 33.047 32.500 0.081 0.000 0.775 123 K HN 0.822 nan 8.250 nan 0.000 0.447 124 E N 0.763 121.015 120.200 0.087 0.000 2.378 124 E HA 0.356 4.706 4.350 -0.001 0.000 0.265 124 E C -0.995 175.652 176.600 0.078 0.000 0.932 124 E CA -0.826 55.615 56.400 0.069 0.000 0.795 124 E CB 2.168 31.907 29.700 0.064 0.000 1.296 124 E HN -0.016 nan 8.360 nan 0.000 0.438 125 T N -0.545 114.046 114.554 0.062 0.000 2.952 125 T HA 0.458 4.807 4.350 -0.001 0.000 0.305 125 T C -1.140 173.593 174.700 0.054 0.000 1.064 125 T CA -0.257 61.879 62.100 0.059 0.000 1.008 125 T CB 2.068 70.966 68.868 0.050 0.000 1.078 125 T HN 0.572 nan 8.240 nan 0.000 0.459 126 T N 2.010 116.598 114.554 0.057 0.000 2.716 126 T HA 0.492 4.841 4.350 -0.001 0.000 0.286 126 T C -0.008 174.725 174.700 0.055 0.000 1.052 126 T CA -0.441 61.690 62.100 0.051 0.000 1.024 126 T CB 1.667 70.566 68.868 0.053 0.000 1.349 126 T HN 0.590 nan 8.240 nan 0.000 0.525 127 D N 0.199 120.630 120.400 0.052 0.000 2.165 127 D HA 0.172 4.811 4.640 -0.001 0.000 0.213 127 D C 0.261 176.604 176.300 0.070 0.000 0.983 127 D CA 1.169 55.207 54.000 0.064 0.000 0.881 127 D CB -0.026 40.806 40.800 0.053 0.000 1.028 127 D HN 0.258 nan 8.370 nan 0.000 0.457 128 V N 1.851 121.798 119.914 0.054 0.000 2.378 128 V HA 0.265 4.384 4.120 -0.001 0.000 0.288 128 V C -0.150 175.969 176.094 0.041 0.000 1.016 128 V CA -0.689 61.638 62.300 0.045 0.000 0.840 128 V CB 2.047 33.886 31.823 0.027 0.000 0.994 128 V HN -0.158 nan 8.190 nan 0.000 0.431 129 V N 6.746 126.686 119.914 0.043 0.000 2.509 129 V HA 0.471 4.591 4.120 -0.001 0.000 0.284 129 V C 0.023 176.144 176.094 0.045 0.000 1.047 129 V CA -0.263 62.063 62.300 0.043 0.000 0.952 129 V CB 1.571 33.416 31.823 0.038 0.000 0.988 129 V HN 0.637 nan 8.190 nan 0.000 0.469 130 I N 5.471 126.069 120.570 0.047 0.000 2.436 130 I HA 0.465 4.635 4.170 -0.001 0.000 0.289 130 I C -0.492 175.661 176.117 0.059 0.000 1.010 130 I CA -0.461 60.872 61.300 0.055 0.000 1.098 130 I CB 1.955 39.988 38.000 0.055 0.000 1.266 130 I HN 0.405 nan 8.210 nan 0.000 0.434 131 I N 5.634 126.242 120.570 0.063 0.000 2.297 131 I HA 0.531 4.701 4.170 -0.001 0.000 0.291 131 I C 0.623 176.789 176.117 0.081 0.000 1.033 131 I CA -0.064 61.274 61.300 0.064 0.000 1.253 131 I CB 0.882 38.916 38.000 0.055 0.000 1.396 131 I HN 0.870 nan 8.210 nan 0.000 0.476 132 G N 4.067 112.922 108.800 0.092 0.000 2.784 132 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.686 132 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.686 132 G C -0.043 174.928 174.900 0.118 0.000 1.156 132 G CA -0.249 44.917 45.100 0.109 0.000 0.757 132 G HN 0.757 nan 8.290 nan 0.000 0.642 133 S N 1.049 116.828 115.700 0.132 0.000 2.588 133 S HA 0.605 5.074 4.470 -0.001 0.000 0.245 133 S C 1.333 176.014 174.600 0.135 0.000 1.021 133 S CA 0.760 59.054 58.200 0.158 0.000 1.006 133 S CB 0.505 63.846 63.200 0.233 0.000 0.830 133 S HN 1.931 nan 8.310 nan 0.000 0.468 134 G N 1.227 110.088 108.800 0.102 0.000 2.486 134 G HA2 0.444 4.403 3.960 -0.001 0.000 0.272 134 G HA3 0.444 4.403 3.960 -0.001 0.000 0.272 134 G C 1.094 176.060 174.900 0.110 0.000 1.426 134 G CA -0.294 44.855 45.100 0.081 0.000 1.058 134 G HN 0.429 nan 8.290 nan 0.000 0.531 135 G N -0.393 108.471 108.800 0.106 0.000 2.442 135 G HA2 0.018 3.977 3.960 -0.001 0.000 0.219 135 G HA3 0.018 3.977 3.960 -0.001 0.000 0.219 135 G C 1.885 176.871 174.900 0.144 0.000 1.141 135 G CA 1.855 47.030 45.100 0.125 0.000 0.763 135 G HN 0.884 nan 8.290 nan 0.000 0.554 136 A N 0.685 123.589 122.820 0.139 0.000 1.897 136 A HA 0.270 4.589 4.320 -0.001 0.000 0.215 136 A C 2.697 180.364 177.584 0.138 0.000 1.181 136 A CA 1.833 53.959 52.037 0.148 0.000 0.620 136 A CB -0.906 18.180 19.000 0.143 0.000 0.821 136 A HN 0.479 nan 8.150 nan 0.000 0.443 137 G N -0.007 108.867 108.800 0.123 0.000 2.418 137 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.217 137 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.217 137 G C 1.519 176.483 174.900 0.106 0.000 1.158 137 G CA 1.134 46.299 45.100 0.110 0.000 0.771 137 G HN 0.431 nan 8.290 nan 0.000 0.545 138 L N 0.519 121.812 121.223 0.116 0.000 2.131 138 L HA 0.162 4.501 4.340 -0.001 0.000 0.206 138 L C 3.315 180.246 176.870 0.101 0.000 1.087 138 L CA 0.790 55.683 54.840 0.088 0.000 0.767 138 L CB -0.373 41.745 42.059 0.099 0.000 0.917 138 L HN 0.239 nan 8.230 nan 0.000 0.441 139 A N 0.464 123.384 122.820 0.167 0.000 1.933 139 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 139 A C 2.551 180.324 177.584 0.314 0.000 1.175 139 A CA 1.797 54.025 52.037 0.319 0.000 0.628 139 A CB -0.694 18.559 19.000 0.421 0.000 0.814 139 A HN 0.378 nan 8.150 nan 0.000 0.444 140 A N -0.169 122.761 122.820 0.184 0.000 1.930 140 A HA 0.186 4.505 4.320 -0.001 0.000 0.217 140 A C 2.501 180.145 177.584 0.100 0.000 1.175 140 A CA 1.998 54.109 52.037 0.123 0.000 0.627 140 A CB -1.008 18.044 19.000 0.086 0.000 0.815 140 A HN 1.025 nan 8.150 nan 0.000 0.443 141 A N -0.223 122.645 122.820 0.080 0.000 1.851 141 A HA -0.062 4.257 4.320 -0.001 0.000 0.216 141 A C 2.239 179.848 177.584 0.042 0.000 1.195 141 A CA 2.082 54.140 52.037 0.035 0.000 0.622 141 A CB -1.231 17.765 19.000 -0.006 0.000 0.831 141 A HN 0.474 nan 8.150 nan 0.000 0.444 142 V N -0.321 119.627 119.914 0.058 0.000 2.231 142 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 142 V C 2.778 178.965 176.094 0.154 0.000 1.054 142 V CA 2.579 64.912 62.300 0.056 0.000 1.015 142 V CB -1.254 30.547 31.823 -0.037 0.000 0.638 142 V HN 0.650 nan 8.190 nan 0.000 0.444 143 S N -0.487 115.377 115.700 0.274 0.000 2.370 143 S HA -0.208 4.262 4.470 -0.001 0.000 0.226 143 S C 2.073 176.723 174.600 0.082 0.000 1.033 143 S CA 1.723 60.043 58.200 0.201 0.000 1.011 143 S CB -0.412 62.871 63.200 0.139 0.000 0.852 143 S HN 0.648 nan 8.310 nan 0.000 0.457 144 A N 2.101 124.952 122.820 0.052 0.000 1.855 144 A HA -0.017 4.302 4.320 -0.001 0.000 0.215 144 A C 2.289 179.885 177.584 0.021 0.000 1.191 144 A CA 1.115 53.161 52.037 0.016 0.000 0.613 144 A CB -0.683 18.320 19.000 0.006 0.000 0.829 144 A HN 0.420 nan 8.150 nan 0.000 0.442 145 R N 0.255 120.770 120.500 0.024 0.000 2.083 145 R HA -0.126 4.214 4.340 -0.001 0.000 0.237 145 R C -0.054 176.258 176.300 0.020 0.000 1.137 145 R CA 1.298 57.407 56.100 0.014 0.000 0.951 145 R CB -1.018 29.282 30.300 0.000 0.000 0.851 145 R HN 0.403 nan 8.270 nan 0.000 0.434 146 D N 0.613 121.038 120.400 0.041 0.000 2.662 146 D HA 0.170 4.810 4.640 -0.001 0.000 0.228 146 D C -0.761 175.565 176.300 0.044 0.000 1.090 146 D CA 0.634 54.665 54.000 0.051 0.000 1.118 146 D CB -0.552 40.310 40.800 0.103 0.000 1.129 146 D HN 0.345 nan 8.370 nan 0.000 0.472 147 A N 0.539 123.375 122.820 0.026 0.000 2.050 147 A HA 0.351 4.671 4.320 -0.001 0.000 0.273 147 A C 0.800 178.395 177.584 0.017 0.000 1.260 147 A CA 0.196 52.245 52.037 0.020 0.000 0.657 147 A CB -1.231 17.782 19.000 0.022 0.000 1.412 147 A HN 0.945 nan 8.150 nan 0.000 0.281 148 G N -0.304 108.504 108.800 0.014 0.000 2.366 148 G HA2 0.726 4.686 3.960 -0.001 0.000 0.190 148 G HA3 0.726 4.686 3.960 -0.001 0.000 0.190 148 G C 0.336 175.245 174.900 0.014 0.000 1.299 148 G CA 1.019 46.126 45.100 0.013 0.000 1.056 148 G HN 2.453 nan 8.290 nan 0.000 0.468 149 A N -0.364 122.466 122.820 0.016 0.000 2.301 149 A HA 0.909 5.228 4.320 -0.001 0.000 0.287 149 A C 0.715 178.309 177.584 0.016 0.000 1.274 149 A CA 1.257 53.306 52.037 0.020 0.000 0.865 149 A CB -0.341 18.676 19.000 0.028 0.000 1.324 149 A HN 2.150 nan 8.150 nan 0.000 0.508 150 K N -0.821 119.591 120.400 0.021 0.000 2.174 150 K HA 0.622 4.941 4.320 -0.001 0.000 0.275 150 K C -0.864 175.749 176.600 0.022 0.000 1.015 150 K CA -0.311 55.988 56.287 0.019 0.000 0.933 150 K CB 0.814 33.328 32.500 0.024 0.000 1.025 150 K HN 1.098 nan 8.250 nan 0.000 0.463 151 V N 2.493 122.417 119.914 0.016 0.000 2.733 151 V HA 0.545 4.664 4.120 -0.001 0.000 0.306 151 V C -0.736 175.369 176.094 0.019 0.000 1.084 151 V CA -0.752 61.558 62.300 0.017 0.000 0.905 151 V CB 1.764 33.591 31.823 0.007 0.000 1.010 151 V HN 0.817 nan 8.190 nan 0.000 0.424 152 I N 5.201 125.790 120.570 0.033 0.000 2.439 152 I HA 0.476 4.645 4.170 -0.001 0.000 0.283 152 I C -0.891 175.254 176.117 0.047 0.000 1.023 152 I CA -0.414 60.913 61.300 0.045 0.000 1.100 152 I CB 1.975 40.016 38.000 0.068 0.000 1.238 152 I HN 0.435 nan 8.210 nan 0.000 0.445 153 L N 7.473 128.722 121.223 0.043 0.000 2.296 153 L HA 0.585 4.925 4.340 -0.001 0.000 0.286 153 L C -1.283 175.631 176.870 0.073 0.000 1.023 153 L CA -0.547 54.324 54.840 0.053 0.000 0.812 153 L CB 1.363 43.444 42.059 0.037 0.000 1.223 153 L HN 0.480 nan 8.230 nan 0.000 0.421 154 L N 4.505 125.773 121.223 0.074 0.000 2.317 154 L HA 0.576 4.915 4.340 -0.001 0.000 0.281 154 L C -0.576 176.349 176.870 0.091 0.000 1.024 154 L CA -0.252 54.636 54.840 0.079 0.000 0.810 154 L CB 1.802 43.889 42.059 0.047 0.000 1.240 154 L HN 0.527 nan 8.230 nan 0.000 0.427 155 E N 1.459 121.721 120.200 0.103 0.000 2.256 155 E HA 0.328 4.677 4.350 -0.001 0.000 0.268 155 E C -0.075 176.586 176.600 0.101 0.000 0.877 155 E CA -0.731 55.738 56.400 0.115 0.000 0.757 155 E CB 1.482 31.267 29.700 0.141 0.000 1.183 155 E HN 0.515 nan 8.360 nan 0.000 0.418 156 K N 2.765 123.227 120.400 0.103 0.000 2.186 156 K HA 0.160 4.479 4.320 -0.001 0.000 0.202 156 K C 0.212 176.875 176.600 0.105 0.000 1.052 156 K CA 0.161 56.495 56.287 0.079 0.000 0.965 156 K CB 0.042 32.582 32.500 0.066 0.000 0.746 156 K HN 0.356 nan 8.250 nan 0.000 0.457 157 E N 1.900 122.194 120.200 0.157 0.000 2.442 157 E HA -0.023 4.326 4.350 -0.001 0.000 0.260 157 E C -1.741 174.935 176.600 0.126 0.000 1.148 157 E CA -1.476 55.041 56.400 0.194 0.000 0.976 157 E CB 0.188 30.039 29.700 0.252 0.000 0.967 157 E HN 0.107 nan 8.360 nan 0.000 0.454 158 P HA 0.079 nan 4.420 nan 0.000 0.240 158 P C 0.400 177.669 177.300 -0.051 0.000 1.190 158 P CA 0.767 63.905 63.100 0.064 0.000 0.781 158 P CB 0.105 31.868 31.700 0.105 0.000 0.931 159 I N -3.976 116.504 120.570 -0.150 0.000 2.934 159 I HA 0.703 4.873 4.170 -0.001 0.000 0.306 159 I C -3.034 172.993 176.117 -0.150 0.000 1.110 159 I CA -3.266 57.899 61.300 -0.225 0.000 1.019 159 I CB 2.498 40.251 38.000 -0.411 0.000 1.227 159 I HN -0.382 nan 8.210 nan 0.000 0.434 160 P HA 0.334 nan 4.420 nan 0.000 0.284 160 P C 0.547 177.770 177.300 -0.129 0.000 1.292 160 P CA 0.295 63.312 63.100 -0.138 0.000 0.800 160 P CB 1.096 32.612 31.700 -0.306 0.000 1.188 161 G N -1.942 106.834 108.800 -0.041 0.000 2.179 161 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.260 161 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.260 161 G C 0.764 175.602 174.900 -0.103 0.000 0.977 161 G CA 0.544 45.622 45.100 -0.036 0.000 0.641 161 G HN 0.914 nan 8.290 nan 0.000 0.533 162 G N 0.521 109.184 108.800 -0.229 0.000 2.632 162 G HA2 -0.437 3.523 3.960 -0.001 0.000 0.322 162 G HA3 -0.437 3.523 3.960 -0.001 0.000 0.322 162 G C 1.030 175.576 174.900 -0.590 0.000 1.326 162 G CA 1.063 45.816 45.100 -0.578 0.000 0.986 162 G HN 0.896 nan 8.290 nan 0.000 0.541 163 N N 0.051 118.596 118.700 -0.259 0.000 2.376 163 N HA -0.030 4.710 4.740 -0.001 0.000 0.177 163 N C 2.489 178.000 175.510 0.002 0.000 1.024 163 N CA 1.550 54.588 53.050 -0.020 0.000 0.893 163 N CB -0.636 37.913 38.487 0.103 0.000 0.980 163 N HN 0.614 nan 8.380 nan 0.000 0.439 164 T N 2.254 116.812 114.554 0.008 0.000 2.594 164 T HA -0.265 4.085 4.350 -0.001 0.000 0.266 164 T C 1.771 176.496 174.700 0.042 0.000 1.070 164 T CA 2.123 64.249 62.100 0.043 0.000 1.166 164 T CB -0.335 68.566 68.868 0.055 0.000 0.862 164 T HN 0.550 nan 8.240 nan 0.000 0.436 165 K N 1.766 122.179 120.400 0.022 0.000 2.442 165 K HA -0.008 4.311 4.320 -0.001 0.000 0.198 165 K C 1.790 178.422 176.600 0.052 0.000 1.044 165 K CA 1.161 57.471 56.287 0.038 0.000 0.948 165 K CB -0.453 32.060 32.500 0.022 0.000 0.762 165 K HN 0.390 nan 8.250 nan 0.000 0.472 166 L N 0.453 121.701 121.223 0.043 0.000 2.554 166 L HA 0.291 4.630 4.340 -0.001 0.000 0.225 166 L C 0.980 177.868 176.870 0.031 0.000 1.104 166 L CA -0.445 54.414 54.840 0.031 0.000 0.866 166 L CB -0.329 41.762 42.059 0.052 0.000 1.047 166 L HN 0.114 nan 8.230 nan 0.000 0.468 167 A N 0.677 123.527 122.820 0.051 0.000 2.587 167 A HA 0.329 4.648 4.320 -0.001 0.000 0.235 167 A C 1.099 178.712 177.584 0.049 0.000 1.044 167 A CA 0.952 53.028 52.037 0.065 0.000 0.754 167 A CB 0.384 19.428 19.000 0.074 0.000 0.968 167 A HN 0.394 nan 8.150 nan 0.000 0.509 168 A N 2.426 125.280 122.820 0.055 0.000 2.016 168 A HA 0.463 4.782 4.320 -0.001 0.000 0.202 168 A C 1.974 179.578 177.584 0.033 0.000 1.632 168 A CA 1.016 53.074 52.037 0.033 0.000 0.891 168 A CB -0.728 18.297 19.000 0.043 0.000 1.103 168 A HN 1.417 nan 8.150 nan 0.000 0.547 169 G N -0.618 108.212 108.800 0.050 0.000 2.679 169 G HA2 0.437 4.396 3.960 -0.001 0.000 0.212 169 G HA3 0.437 4.396 3.960 -0.001 0.000 0.212 169 G C 0.804 175.730 174.900 0.042 0.000 1.137 169 G CA 0.938 46.063 45.100 0.042 0.000 0.787 169 G HN 1.755 nan 8.290 nan 0.000 0.534 170 G N -1.083 107.752 108.800 0.058 0.000 2.375 170 G HA2 0.188 4.148 3.960 -0.001 0.000 0.663 170 G HA3 0.188 4.148 3.960 -0.001 0.000 0.663 170 G C -0.784 174.174 174.900 0.097 0.000 1.391 170 G CA -0.293 44.854 45.100 0.079 0.000 0.949 170 G HN 0.600 nan 8.290 nan 0.000 0.646 171 M N 1.668 121.345 119.600 0.128 0.000 2.072 171 M HA 0.414 4.893 4.480 -0.001 0.000 0.331 171 M C 0.101 176.472 176.300 0.118 0.000 1.004 171 M CA -0.685 54.678 55.300 0.106 0.000 0.952 171 M CB 0.276 32.926 32.600 0.083 0.000 1.511 171 M HN 0.597 nan 8.290 nan 0.000 0.422 172 N N 3.261 122.022 118.700 0.102 0.000 2.458 172 N HA 0.446 5.186 4.740 -0.001 0.000 0.258 172 N C -0.978 174.552 175.510 0.032 0.000 1.219 172 N CA 0.020 53.137 53.050 0.112 0.000 0.902 172 N CB 0.773 39.311 38.487 0.085 0.000 1.076 172 N HN 0.715 nan 8.380 nan 0.000 0.455 173 A N 0.845 123.704 122.820 0.066 0.000 2.574 173 A HA 0.768 5.087 4.320 -0.001 0.000 0.297 173 A C -1.539 176.103 177.584 0.097 0.000 1.062 173 A CA -0.671 51.343 52.037 -0.040 0.000 0.686 173 A CB 1.542 20.316 19.000 -0.377 0.000 1.285 173 A HN 0.653 nan 8.150 nan 0.000 0.403 174 A N 1.027 123.869 122.820 0.036 0.000 2.343 174 A HA 0.859 5.178 4.320 -0.001 0.000 0.308 174 A C 0.066 177.673 177.584 0.037 0.000 1.092 174 A CA 0.607 52.675 52.037 0.051 0.000 0.751 174 A CB 0.919 19.940 19.000 0.036 0.000 1.203 174 A HN 1.841 nan 8.150 nan 0.000 0.452 175 E N 0.064 120.297 120.200 0.055 0.000 2.661 175 E HA -0.244 4.105 4.350 -0.001 0.000 0.295 175 E C 0.975 177.612 176.600 0.061 0.000 1.327 175 E CA 1.818 58.244 56.400 0.045 0.000 1.305 175 E CB -1.457 28.258 29.700 0.026 0.000 1.890 175 E HN 1.085 nan 8.360 nan 0.000 0.581 176 T N -0.180 114.400 114.554 0.045 0.000 3.093 176 T HA 0.047 4.396 4.350 -0.001 0.000 0.270 176 T C 0.982 175.716 174.700 0.056 0.000 1.170 176 T CA 1.602 63.727 62.100 0.041 0.000 1.072 176 T CB -1.117 67.766 68.868 0.024 0.000 0.863 176 T HN 0.602 nan 8.240 nan 0.000 0.562 177 K N 2.190 122.640 120.400 0.083 0.000 2.285 177 K HA 0.197 4.516 4.320 -0.001 0.000 0.255 177 K C -0.830 175.850 176.600 0.134 0.000 1.000 177 K CA -1.068 55.298 56.287 0.131 0.000 0.887 177 K CB -1.345 31.349 32.500 0.324 0.000 0.997 177 K HN 0.122 nan 8.250 nan 0.000 0.510 178 P HA -0.316 nan 4.420 nan 0.000 0.221 178 P C 0.942 178.278 177.300 0.060 0.000 1.140 178 P CA 1.464 64.619 63.100 0.091 0.000 0.797 178 P CB 0.015 31.776 31.700 0.103 0.000 0.756 179 Q N -0.498 119.344 119.800 0.071 0.000 2.105 179 Q HA -0.344 3.995 4.340 -0.001 0.000 0.217 179 Q C 2.181 178.196 176.000 0.024 0.000 1.029 179 Q CA 2.519 58.344 55.803 0.038 0.000 0.899 179 Q CB -0.881 27.901 28.738 0.074 0.000 1.000 179 Q HN 0.265 nan 8.270 nan 0.000 0.414 180 A N 1.079 123.919 122.820 0.034 0.000 1.873 180 A HA -0.359 3.960 4.320 -0.001 0.000 0.219 180 A C 2.269 179.862 177.584 0.015 0.000 1.269 180 A CA 3.502 55.553 52.037 0.023 0.000 0.671 180 A CB -1.535 17.481 19.000 0.026 0.000 0.842 180 A HN 0.522 nan 8.150 nan 0.000 0.460 181 K N -0.883 119.527 120.400 0.016 0.000 2.444 181 K HA 0.062 4.381 4.320 -0.001 0.000 0.200 181 K C 1.600 178.200 176.600 -0.000 0.000 1.045 181 K CA 1.889 58.182 56.287 0.009 0.000 0.934 181 K CB -0.879 31.629 32.500 0.013 0.000 0.756 181 K HN 0.557 nan 8.250 nan 0.000 0.477 182 L N -1.712 119.506 121.223 -0.007 0.000 2.858 182 L HA 0.288 4.628 4.340 -0.001 0.000 0.251 182 L C 1.308 178.171 176.870 -0.012 0.000 1.149 182 L CA 0.440 55.270 54.840 -0.016 0.000 0.955 182 L CB 0.694 42.734 42.059 -0.032 0.000 1.289 182 L HN 0.540 nan 8.230 nan 0.000 0.542 183 G N 1.549 110.346 108.800 -0.006 0.000 2.198 183 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.257 183 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.257 183 G C 0.040 174.937 174.900 -0.005 0.000 1.042 183 G CA 0.006 45.104 45.100 -0.003 0.000 0.791 183 G HN 0.317 nan 8.290 nan 0.000 0.502 184 I N 0.436 121.002 120.570 -0.007 0.000 2.297 184 I HA 0.623 4.792 4.170 -0.001 0.000 0.291 184 I C 0.669 176.788 176.117 0.004 0.000 1.033 184 I CA -0.134 61.162 61.300 -0.007 0.000 1.253 184 I CB 1.097 39.085 38.000 -0.019 0.000 1.396 184 I HN 0.288 nan 8.210 nan 0.000 0.476 185 E N 4.770 124.973 120.200 0.005 0.000 2.194 185 E HA 0.461 4.810 4.350 -0.001 0.000 0.284 185 E C -0.956 175.652 176.600 0.013 0.000 1.035 185 E CA -0.490 55.916 56.400 0.010 0.000 0.836 185 E CB 1.515 31.219 29.700 0.007 0.000 1.070 185 E HN 0.669 nan 8.360 nan 0.000 0.401 186 D N 0.057 120.468 120.400 0.018 0.000 2.623 186 D HA 0.676 5.315 4.640 -0.001 0.000 0.241 186 D C -0.986 175.327 176.300 0.023 0.000 1.241 186 D CA 0.295 54.308 54.000 0.022 0.000 0.788 186 D CB 1.679 42.498 40.800 0.032 0.000 1.413 186 D HN 0.673 nan 8.370 nan 0.000 0.429 187 K N 1.168 121.581 120.400 0.021 0.000 2.477 187 K HA 0.493 4.812 4.320 -0.001 0.000 0.255 187 K C 0.720 177.331 176.600 0.018 0.000 0.952 187 K CA -0.498 55.800 56.287 0.018 0.000 0.826 187 K CB 1.241 33.749 32.500 0.013 0.000 1.331 187 K HN 0.408 nan 8.250 nan 0.000 0.437 188 K N 0.465 120.874 120.400 0.015 0.000 2.001 188 K HA -0.178 4.141 4.320 -0.001 0.000 0.214 188 K C 2.128 178.736 176.600 0.012 0.000 1.050 188 K CA 2.180 58.475 56.287 0.012 0.000 0.934 188 K CB 0.145 32.648 32.500 0.006 0.000 0.718 188 K HN 0.653 nan 8.250 nan 0.000 0.443 189 Q N 0.229 120.035 119.800 0.010 0.000 2.248 189 Q HA -0.146 4.193 4.340 -0.001 0.000 0.208 189 Q C 1.890 177.896 176.000 0.011 0.000 0.984 189 Q CA 1.288 57.096 55.803 0.009 0.000 0.875 189 Q CB -0.144 28.598 28.738 0.007 0.000 0.910 189 Q HN 0.462 nan 8.270 nan 0.000 0.433 190 I N -0.034 120.544 120.570 0.013 0.000 3.176 190 I HA -0.178 3.991 4.170 -0.001 0.000 0.275 190 I C 2.176 178.305 176.117 0.019 0.000 1.298 190 I CA 0.235 61.544 61.300 0.015 0.000 1.445 190 I CB -0.206 37.803 38.000 0.015 0.000 1.075 190 I HN 0.208 nan 8.210 nan 0.000 0.482 191 M N 1.138 120.750 119.600 0.021 0.000 2.224 191 M HA -0.025 4.454 4.480 -0.001 0.000 0.253 191 M C 2.259 178.573 176.300 0.024 0.000 1.115 191 M CA 1.744 57.060 55.300 0.027 0.000 1.168 191 M CB -0.105 32.512 32.600 0.028 0.000 1.288 191 M HN -0.027 nan 8.290 nan 0.000 0.446 192 I N 1.622 122.203 120.570 0.019 0.000 2.074 192 I HA -0.419 3.750 4.170 -0.001 0.000 0.238 192 I C 1.910 178.036 176.117 0.014 0.000 1.037 192 I CA 2.017 63.327 61.300 0.016 0.000 1.301 192 I CB -1.092 36.915 38.000 0.012 0.000 1.016 192 I HN 0.446 nan 8.210 nan 0.000 0.400 193 D N 0.762 121.169 120.400 0.011 0.000 2.182 193 D HA -0.182 4.457 4.640 -0.001 0.000 0.201 193 D C 1.612 177.917 176.300 0.008 0.000 0.986 193 D CA 1.523 55.528 54.000 0.008 0.000 0.847 193 D CB -0.586 40.218 40.800 0.007 0.000 0.942 193 D HN 0.502 nan 8.370 nan 0.000 0.467 194 D N -0.750 119.658 120.400 0.012 0.000 2.323 194 D HA -0.020 4.620 4.640 -0.001 0.000 0.209 194 D C 1.693 178.000 176.300 0.012 0.000 0.973 194 D CA 0.617 54.623 54.000 0.010 0.000 0.874 194 D CB -0.288 40.519 40.800 0.011 0.000 0.930 194 D HN 0.078 nan 8.370 nan 0.000 0.521 195 T N 0.398 114.963 114.554 0.019 0.000 2.942 195 T HA 0.004 4.353 4.350 -0.001 0.000 0.265 195 T C 1.808 176.517 174.700 0.014 0.000 1.062 195 T CA 0.605 62.722 62.100 0.028 0.000 1.139 195 T CB 0.058 68.951 68.868 0.042 0.000 0.883 195 T HN 0.068 nan 8.240 nan 0.000 0.468 196 M N 1.401 121.004 119.600 0.006 0.000 2.156 196 M HA 0.023 4.502 4.480 -0.001 0.000 0.264 196 M C 2.915 179.209 176.300 -0.011 0.000 1.067 196 M CA 1.437 56.734 55.300 -0.004 0.000 1.131 196 M CB -1.243 31.356 32.600 -0.003 0.000 1.368 196 M HN 0.303 nan 8.290 nan 0.000 0.416 197 K N 0.794 121.190 120.400 -0.006 0.000 2.009 197 K HA -0.047 4.273 4.320 -0.001 0.000 0.210 197 K C 2.243 178.833 176.600 -0.017 0.000 1.049 197 K CA 1.915 58.196 56.287 -0.010 0.000 0.929 197 K CB -2.072 30.425 32.500 -0.006 0.000 0.714 197 K HN 0.544 nan 8.250 nan 0.000 0.440 198 G N 0.620 109.413 108.800 -0.012 0.000 2.491 198 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.218 198 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.218 198 G C 1.791 176.671 174.900 -0.034 0.000 1.180 198 G CA 1.151 46.240 45.100 -0.019 0.000 0.774 198 G HN 0.873 nan 8.290 nan 0.000 0.562 199 G N -0.574 108.207 108.800 -0.031 0.000 3.210 199 G HA2 0.290 4.250 3.960 -0.001 0.000 0.220 199 G HA3 0.290 4.250 3.960 -0.001 0.000 0.220 199 G C 0.700 175.537 174.900 -0.105 0.000 1.200 199 G CA 0.083 45.145 45.100 -0.063 0.000 0.834 199 G HN 0.507 nan 8.290 nan 0.000 0.524 200 R N -0.368 120.085 120.500 -0.078 0.000 3.531 200 R HA -0.186 4.153 4.340 -0.001 0.000 0.280 200 R C 0.633 176.898 176.300 -0.058 0.000 1.130 200 R CA 0.495 56.550 56.100 -0.074 0.000 0.757 200 R CB -2.253 27.981 30.300 -0.110 0.000 1.218 200 R HN 0.421 nan 8.270 nan 0.000 0.454 201 N N -0.839 117.836 118.700 -0.041 0.000 2.732 201 N HA -0.234 4.506 4.740 -0.001 0.000 0.250 201 N C 0.668 176.162 175.510 -0.026 0.000 1.097 201 N CA 1.868 54.902 53.050 -0.026 0.000 0.812 201 N CB -0.745 37.733 38.487 -0.016 0.000 1.148 201 N HN 0.753 nan 8.380 nan 0.000 0.572 202 I N -3.041 117.504 120.570 -0.042 0.000 3.883 202 I HA 0.120 4.290 4.170 -0.001 0.000 0.326 202 I C 0.111 176.217 176.117 -0.020 0.000 1.283 202 I CA -0.400 60.886 61.300 -0.023 0.000 1.161 202 I CB -0.029 37.962 38.000 -0.014 0.000 1.012 202 I HN -0.168 nan 8.210 nan 0.000 0.421 203 N N 3.208 121.891 118.700 -0.029 0.000 2.407 203 N HA -0.063 4.676 4.740 -0.001 0.000 0.250 203 N C -0.036 175.461 175.510 -0.021 0.000 1.236 203 N CA 0.214 53.246 53.050 -0.030 0.000 0.879 203 N CB 0.089 38.555 38.487 -0.034 0.000 1.088 203 N HN 0.220 nan 8.380 nan 0.000 0.450 204 D N 1.642 122.026 120.400 -0.027 0.000 2.434 204 D HA 0.026 4.665 4.640 -0.001 0.000 0.252 204 D C -1.679 174.613 176.300 -0.012 0.000 1.185 204 D CA -1.516 52.473 54.000 -0.018 0.000 0.886 204 D CB 0.820 41.605 40.800 -0.026 0.000 1.148 204 D HN 0.265 nan 8.370 nan 0.000 0.483 205 P HA -0.108 nan 4.420 nan 0.000 0.217 205 P C 1.059 178.367 177.300 0.012 0.000 1.150 205 P CA 0.840 63.942 63.100 0.004 0.000 0.832 205 P CB 0.374 32.077 31.700 0.005 0.000 0.787 206 E N -0.367 119.842 120.200 0.017 0.000 2.072 206 E HA -0.095 4.254 4.350 -0.001 0.000 0.191 206 E C 2.159 178.792 176.600 0.054 0.000 0.985 206 E CA 0.920 57.338 56.400 0.030 0.000 0.801 206 E CB -0.879 28.839 29.700 0.030 0.000 0.750 206 E HN 0.302 nan 8.360 nan 0.000 0.452 207 L N 0.352 121.604 121.223 0.048 0.000 2.017 207 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 207 L C 2.575 179.504 176.870 0.098 0.000 1.073 207 L CA 0.798 55.693 54.840 0.092 0.000 0.745 207 L CB -0.567 41.475 42.059 -0.029 0.000 0.894 207 L HN -0.026 nan 8.230 nan 0.000 0.432 208 V N 0.425 120.358 119.914 0.033 0.000 2.568 208 V HA -0.329 3.790 4.120 -0.001 0.000 0.253 208 V C 3.038 179.155 176.094 0.039 0.000 1.072 208 V CA 2.241 64.558 62.300 0.028 0.000 1.084 208 V CB -0.980 30.846 31.823 0.006 0.000 0.676 208 V HN 0.572 nan 8.190 nan 0.000 0.469 209 K N -0.405 120.016 120.400 0.035 0.000 1.984 209 K HA -0.157 4.163 4.320 -0.001 0.000 0.209 209 K C 2.174 178.779 176.600 0.010 0.000 1.046 209 K CA 1.928 58.227 56.287 0.021 0.000 0.934 209 K CB -1.198 31.313 32.500 0.018 0.000 0.717 209 K HN 0.322 nan 8.250 nan 0.000 0.438 210 V N 1.393 121.319 119.914 0.018 0.000 2.407 210 V HA -0.163 3.957 4.120 -0.001 0.000 0.248 210 V C 2.391 178.441 176.094 -0.074 0.000 1.055 210 V CA 1.414 63.686 62.300 -0.047 0.000 1.049 210 V CB -0.324 31.464 31.823 -0.058 0.000 0.662 210 V HN 0.585 nan 8.190 nan 0.000 0.455 211 L N -0.114 121.124 121.223 0.025 0.000 2.549 211 L HA -0.112 4.227 4.340 -0.001 0.000 0.230 211 L C 1.984 178.863 176.870 0.014 0.000 1.162 211 L CA 1.972 56.839 54.840 0.045 0.000 0.834 211 L CB -0.718 41.421 42.059 0.134 0.000 0.947 211 L HN 0.388 nan 8.230 nan 0.000 0.452 212 A N -0.468 122.352 122.820 0.001 0.000 1.944 212 A HA 0.002 4.322 4.320 -0.001 0.000 0.209 212 A C 1.713 179.285 177.584 -0.020 0.000 1.328 212 A CA 0.339 52.376 52.037 0.000 0.000 0.693 212 A CB -0.297 nan 19.000 nan 0.000 0.994 212 A HN 0.412 nan 8.150 nan 0.000 0.485 213 N N 1.388 120.071 118.700 -0.029 0.000 2.443 213 N HA -0.092 4.648 4.740 -0.001 0.000 0.184 213 N C 0.386 175.856 175.510 -0.065 0.000 1.037 213 N CA 1.106 54.132 53.050 -0.040 0.000 0.896 213 N CB -0.303 38.161 38.487 -0.037 0.000 0.959 213 N HN 0.470 nan 8.380 nan 0.000 0.442 214 N N -0.066 118.577 118.700 -0.095 0.000 2.236 214 N HA 0.130 4.870 4.740 -0.001 0.000 0.196 214 N C 1.754 177.203 175.510 -0.102 0.000 1.114 214 N CA 0.494 53.469 53.050 -0.125 0.000 0.859 214 N CB -0.210 38.159 38.487 -0.198 0.000 0.982 214 N HN 0.184 nan 8.380 nan 0.000 0.493 215 S N 1.477 117.133 115.700 -0.072 0.000 2.460 215 S HA -0.309 4.161 4.470 -0.001 0.000 0.241 215 S C 2.313 176.871 174.600 -0.070 0.000 1.051 215 S CA 2.986 61.148 58.200 -0.062 0.000 1.223 215 S CB -1.342 61.835 63.200 -0.039 0.000 1.160 215 S HN 0.408 nan 8.310 nan 0.000 0.424 216 S N 1.618 117.286 115.700 -0.054 0.000 2.390 216 S HA -0.303 4.167 4.470 -0.001 0.000 0.234 216 S C 1.720 176.304 174.600 -0.027 0.000 1.063 216 S CA 2.547 60.724 58.200 -0.038 0.000 1.108 216 S CB -1.169 62.023 63.200 -0.014 0.000 0.975 216 S HN 0.665 nan 8.310 nan 0.000 0.442 217 D N 0.869 121.246 120.400 -0.038 0.000 2.144 217 D HA -0.060 4.579 4.640 -0.001 0.000 0.200 217 D C 2.575 178.868 176.300 -0.010 0.000 0.978 217 D CA 1.661 55.642 54.000 -0.031 0.000 0.833 217 D CB -0.552 40.199 40.800 -0.082 0.000 0.961 217 D HN 0.655 nan 8.370 nan 0.000 0.470 218 S N 0.602 116.273 115.700 -0.049 0.000 2.368 218 S HA -0.139 4.330 4.470 -0.001 0.000 0.225 218 S C 2.119 176.794 174.600 0.124 0.000 1.030 218 S CA 0.505 58.722 58.200 0.029 0.000 0.999 218 S CB -0.684 62.505 63.200 -0.020 0.000 0.844 218 S HN 0.227 nan 8.310 nan 0.000 0.459 219 I N 1.706 122.291 120.570 0.025 0.000 2.916 219 I HA -0.099 4.070 4.170 -0.001 0.000 0.267 219 I C 1.388 177.545 176.117 0.065 0.000 1.263 219 I CA 0.909 62.213 61.300 0.006 0.000 1.471 219 I CB -0.122 37.778 38.000 -0.166 0.000 1.089 219 I HN 0.226 nan 8.210 nan 0.000 0.468 220 D N -0.754 119.703 120.400 0.094 0.000 2.259 220 D HA -0.141 4.499 4.640 -0.001 0.000 0.216 220 D C 1.560 177.971 176.300 0.185 0.000 0.961 220 D CA 0.546 54.611 54.000 0.109 0.000 0.878 220 D CB -0.207 40.646 40.800 0.088 0.000 1.009 220 D HN 0.259 nan 8.370 nan 0.000 0.490 221 W N 2.342 123.635 121.300 -0.012 0.000 2.317 221 W HA -0.170 4.490 4.660 -0.001 0.000 0.318 221 W C 2.056 178.574 176.519 -0.002 0.000 1.227 221 W CA 1.269 58.608 57.345 -0.010 0.000 1.269 221 W CB -0.768 28.682 29.460 -0.016 0.000 1.155 221 W HN -0.068 nan 8.180 nan 0.000 0.484 222 L N -0.856 120.479 121.223 0.186 0.000 2.013 222 L HA -0.316 4.024 4.340 -0.001 0.000 0.212 222 L C 2.293 179.154 176.870 -0.015 0.000 1.073 222 L CA 2.102 56.949 54.840 0.012 0.000 0.753 222 L CB -1.802 40.310 42.059 0.089 0.000 0.890 222 L HN -0.067 nan 8.230 nan 0.000 0.432 223 T N -0.229 114.354 114.554 0.048 0.000 2.720 223 T HA -0.180 4.169 4.350 -0.001 0.000 0.268 223 T C 2.224 176.929 174.700 0.009 0.000 1.037 223 T CA 1.632 63.757 62.100 0.042 0.000 1.144 223 T CB -0.345 68.563 68.868 0.067 0.000 0.864 223 T HN 0.617 nan 8.240 nan 0.000 0.444 224 S N 0.227 115.930 115.700 0.006 0.000 2.465 224 S HA 0.052 4.521 4.470 -0.001 0.000 0.241 224 S C 1.875 176.422 174.600 -0.088 0.000 1.000 224 S CA 1.174 59.362 58.200 -0.021 0.000 0.964 224 S CB -0.524 62.682 63.200 0.010 0.000 0.763 224 S HN 0.423 nan 8.310 nan 0.000 0.512 225 M N -1.210 118.305 119.600 -0.142 0.000 2.461 225 M HA 0.260 4.739 4.480 -0.001 0.000 0.255 225 M C 1.401 177.629 176.300 -0.120 0.000 1.137 225 M CA 0.753 55.946 55.300 -0.179 0.000 1.086 225 M CB 1.011 33.422 32.600 -0.315 0.000 1.356 225 M HN 0.488 nan 8.290 nan 0.000 0.487 226 G N 0.127 108.882 108.800 -0.075 0.000 2.370 226 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.174 226 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.174 226 G C 0.080 174.963 174.900 -0.028 0.000 1.002 226 G CA -0.196 44.875 45.100 -0.049 0.000 0.730 226 G HN 0.545 nan 8.290 nan 0.000 0.497 227 A N -0.092 122.719 122.820 -0.015 0.000 2.313 227 A HA 0.653 4.972 4.320 -0.001 0.000 0.261 227 A C -0.103 177.658 177.584 0.296 0.000 1.090 227 A CA 0.605 52.704 52.037 0.102 0.000 0.807 227 A CB 0.745 19.788 19.000 0.072 0.000 1.055 227 A HN 0.410 nan 8.150 nan 0.000 0.492 228 D N 0.645 121.445 120.400 0.667 0.000 2.363 228 D HA 0.401 5.040 4.640 -0.001 0.000 0.258 228 D C -0.856 175.452 176.300 0.013 0.000 1.259 228 D CA -0.188 53.925 54.000 0.188 0.000 0.921 228 D CB 0.380 41.182 40.800 0.003 0.000 1.201 228 D HN 0.205 nan 8.370 nan 0.000 0.524 229 M N 3.111 122.774 119.600 0.104 0.000 2.986 229 M HA 0.232 4.712 4.480 -0.001 0.000 0.241 229 M C 0.565 176.939 176.300 0.124 0.000 1.191 229 M CA -0.196 55.184 55.300 0.133 0.000 1.143 229 M CB -0.021 32.694 32.600 0.191 0.000 1.242 229 M HN 0.369 nan 8.290 nan 0.000 0.543 230 T N -4.043 110.531 114.554 0.032 0.000 2.980 230 T HA 0.120 4.470 4.350 -0.001 0.000 0.252 230 T C 0.377 175.046 174.700 -0.051 0.000 0.962 230 T CA -0.159 61.944 62.100 0.006 0.000 0.932 230 T CB 0.410 69.282 68.868 0.008 0.000 1.188 230 T HN 0.320 nan 8.240 nan 0.000 0.500 231 D N 2.177 122.540 120.400 -0.061 0.000 2.339 231 D HA 0.397 5.037 4.640 -0.001 0.000 0.256 231 D C -0.579 175.657 176.300 -0.107 0.000 1.214 231 D CA -0.146 53.808 54.000 -0.076 0.000 0.877 231 D CB 0.892 41.652 40.800 -0.068 0.000 1.111 231 D HN 0.126 nan 8.370 nan 0.000 0.478 232 V N 3.471 123.305 119.914 -0.134 0.000 2.513 232 V HA 0.861 4.980 4.120 -0.001 0.000 0.299 232 V C 1.017 177.051 176.094 -0.100 0.000 1.035 232 V CA -0.507 61.691 62.300 -0.170 0.000 0.889 232 V CB 1.427 33.100 31.823 -0.251 0.000 0.988 232 V HN 0.680 nan 8.190 nan 0.000 0.440 233 G N 2.825 111.579 108.800 -0.077 0.000 3.015 233 G HA2 0.670 4.630 3.960 -0.001 0.000 0.281 233 G HA3 0.670 4.630 3.960 -0.001 0.000 0.281 233 G C -1.352 173.531 174.900 -0.028 0.000 1.386 233 G CA -1.010 44.062 45.100 -0.046 0.000 0.959 233 G HN 0.573 nan 8.290 nan 0.000 0.522 234 R N 0.179 120.668 120.500 -0.018 0.000 2.229 234 R HA 0.607 4.946 4.340 -0.001 0.000 0.332 234 R C -0.338 175.958 176.300 -0.007 0.000 0.989 234 R CA -0.470 55.624 56.100 -0.009 0.000 0.842 234 R CB 0.554 30.851 30.300 -0.006 0.000 1.119 234 R HN 0.273 nan 8.270 nan 0.000 0.456 235 M N 2.638 122.236 119.600 -0.003 0.000 2.472 235 M HA 0.412 4.891 4.480 -0.001 0.000 0.331 235 M C 0.525 176.816 176.300 -0.016 0.000 1.170 235 M CA -1.016 54.279 55.300 -0.008 0.000 1.009 235 M CB 1.555 34.156 32.600 -0.000 0.000 1.672 235 M HN 0.802 nan 8.290 nan 0.000 0.453 236 G N 0.543 109.324 108.800 -0.032 0.000 2.368 236 G HA2 0.330 4.289 3.960 -0.001 0.000 0.233 236 G HA3 0.330 4.289 3.960 -0.001 0.000 0.233 236 G C 0.894 175.776 174.900 -0.031 0.000 1.267 236 G CA 0.496 45.572 45.100 -0.038 0.000 0.873 236 G HN 1.179 nan 8.290 nan 0.000 0.539 237 G N 0.033 108.819 108.800 -0.022 0.000 2.179 237 G HA2 0.160 4.119 3.960 -0.001 0.000 0.260 237 G HA3 0.160 4.119 3.960 -0.001 0.000 0.260 237 G C 0.594 175.490 174.900 -0.005 0.000 0.977 237 G CA 1.010 46.100 45.100 -0.016 0.000 0.641 237 G HN 1.958 nan 8.290 nan 0.000 0.533 238 A N -0.723 122.097 122.820 -0.000 0.000 2.373 238 A HA 0.974 5.294 4.320 -0.001 0.000 0.291 238 A C 1.088 178.677 177.584 0.007 0.000 1.171 238 A CA 0.919 52.961 52.037 0.008 0.000 0.922 238 A CB 0.942 19.951 19.000 0.015 0.000 1.400 238 A HN 1.299 nan 8.150 nan 0.000 0.474 239 S N -0.966 114.741 115.700 0.010 0.000 2.967 239 S HA 0.556 5.026 4.470 -0.001 0.000 0.167 239 S C 1.147 175.753 174.600 0.009 0.000 0.696 239 S CA 0.439 58.644 58.200 0.009 0.000 0.874 239 S CB -1.463 61.742 63.200 0.009 0.000 0.718 239 S HN 2.008 nan 8.310 nan 0.000 0.634 240 V N 3.279 123.200 119.914 0.011 0.000 2.790 240 V HA 0.153 4.272 4.120 -0.001 0.000 0.304 240 V C 0.260 176.360 176.094 0.009 0.000 1.142 240 V CA 0.162 62.468 62.300 0.010 0.000 1.282 240 V CB -0.922 30.910 31.823 0.015 0.000 0.877 240 V HN 0.513 nan 8.190 nan 0.000 0.504 241 N N 3.266 121.966 118.700 -0.001 0.000 2.412 241 N HA 0.384 5.123 4.740 -0.001 0.000 0.258 241 N C 0.850 176.352 175.510 -0.012 0.000 1.236 241 N CA 0.788 53.831 53.050 -0.011 0.000 0.882 241 N CB 0.483 38.954 38.487 -0.027 0.000 1.066 241 N HN 0.847 nan 8.380 nan 0.000 0.465 242 R N -1.108 119.392 120.500 -0.000 0.000 2.471 242 R HA 0.114 4.454 4.340 -0.001 0.000 0.367 242 R C -0.626 175.742 176.300 0.112 0.000 0.799 242 R CA -0.483 55.643 56.100 0.043 0.000 1.055 242 R CB -0.498 29.867 30.300 0.109 0.000 1.704 242 R HN 0.280 nan 8.270 nan 0.000 0.531 243 S N 1.147 116.876 115.700 0.049 0.000 2.473 243 S HA 0.254 4.723 4.470 -0.001 0.000 0.312 243 S C -0.564 174.081 174.600 0.076 0.000 1.087 243 S CA -0.578 57.686 58.200 0.107 0.000 1.077 243 S CB -0.045 63.189 63.200 0.056 0.000 1.065 243 S HN 0.391 nan 8.310 nan 0.000 0.510 244 H N 3.731 122.814 119.070 0.021 0.000 2.790 244 H HA 0.559 5.115 4.556 -0.001 0.000 0.358 244 H C 0.957 176.292 175.328 0.012 0.000 1.103 244 H CA 0.220 56.279 56.048 0.018 0.000 1.426 244 H CB 0.499 30.281 29.762 0.034 0.000 1.424 244 H HN 0.801 nan 8.280 nan 0.000 0.599 245 R N 1.756 122.305 120.500 0.081 0.000 2.756 245 R HA 0.421 4.761 4.340 -0.001 0.000 0.273 245 R C -3.450 172.814 176.300 -0.059 0.000 1.030 245 R CA -2.006 54.102 56.100 0.014 0.000 0.887 245 R CB 0.685 30.981 30.300 -0.007 0.000 1.274 245 R HN 0.371 nan 8.270 nan 0.000 0.461 246 P HA 0.114 nan 4.420 nan 0.000 0.276 246 P C -0.488 176.728 177.300 -0.140 0.000 1.244 246 P CA -0.057 62.896 63.100 -0.245 0.000 0.801 246 P CB 0.401 31.844 31.700 -0.429 0.000 1.006 247 T N 1.087 115.570 114.554 -0.118 0.000 2.800 247 T HA 0.234 4.584 4.350 -0.001 0.000 0.283 247 T C 1.428 176.085 174.700 -0.071 0.000 0.999 247 T CA 1.422 63.476 62.100 -0.077 0.000 1.176 247 T CB -1.144 67.691 68.868 -0.056 0.000 0.973 247 T HN 0.866 nan 8.240 nan 0.000 0.519 248 G N 2.393 111.155 108.800 -0.064 0.000 2.148 248 G HA2 0.034 3.993 3.960 -0.001 0.000 0.254 248 G HA3 0.034 3.993 3.960 -0.001 0.000 0.254 248 G C 0.862 175.718 174.900 -0.073 0.000 0.981 248 G CA 0.190 45.253 45.100 -0.062 0.000 0.670 248 G HN 2.056 nan 8.290 nan 0.000 0.528 249 G N -1.895 106.858 108.800 -0.078 0.000 2.143 249 G HA2 0.324 4.283 3.960 -0.001 0.000 0.175 249 G HA3 0.324 4.283 3.960 -0.001 0.000 0.175 249 G C 0.780 175.622 174.900 -0.097 0.000 1.004 249 G CA 0.975 46.025 45.100 -0.085 0.000 0.671 249 G HN 2.144 nan 8.290 nan 0.000 0.512 250 A N -0.335 122.429 122.820 -0.094 0.000 2.260 250 A HA 0.872 5.192 4.320 -0.001 0.000 0.278 250 A C 1.029 178.566 177.584 -0.077 0.000 1.269 250 A CA 0.430 52.411 52.037 -0.094 0.000 0.824 250 A CB 0.334 19.282 19.000 -0.087 0.000 1.238 250 A HN 1.788 nan 8.150 nan 0.000 0.507 251 G N -2.017 106.749 108.800 -0.057 0.000 2.416 251 G HA2 0.472 4.431 3.960 -0.001 0.000 0.324 251 G HA3 0.472 4.431 3.960 -0.001 0.000 0.324 251 G C 0.421 175.332 174.900 0.018 0.000 1.194 251 G CA 0.037 45.124 45.100 -0.022 0.000 0.922 251 G HN 0.777 nan 8.290 nan 0.000 0.467 252 V N 2.828 122.768 119.914 0.043 0.000 2.626 252 V HA -0.050 4.070 4.120 -0.001 0.000 0.252 252 V C 2.778 178.957 176.094 0.142 0.000 1.067 252 V CA 2.055 64.419 62.300 0.105 0.000 1.081 252 V CB -1.060 30.821 31.823 0.098 0.000 0.686 252 V HN 0.731 nan 8.190 nan 0.000 0.468 253 G N 0.377 109.235 108.800 0.098 0.000 2.524 253 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.215 253 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.215 253 G C 1.794 176.749 174.900 0.092 0.000 1.239 253 G CA 1.257 46.410 45.100 0.088 0.000 0.798 253 G HN 0.604 nan 8.290 nan 0.000 0.557 254 A N 0.535 123.408 122.820 0.088 0.000 1.869 254 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 254 A C 2.134 179.781 177.584 0.106 0.000 1.203 254 A CA 2.477 54.569 52.037 0.091 0.000 0.638 254 A CB -1.183 17.878 19.000 0.101 0.000 0.831 254 A HN 0.625 nan 8.150 nan 0.000 0.450 255 H N -0.648 118.442 119.070 0.034 0.000 2.289 255 H HA -0.130 4.425 4.556 -0.001 0.000 0.296 255 H C 1.888 177.240 175.328 0.039 0.000 1.091 255 H CA 2.441 58.509 56.048 0.033 0.000 1.274 255 H CB -0.265 29.514 29.762 0.029 0.000 1.364 255 H HN 0.135 nan 8.280 nan 0.000 0.490 256 V N 0.646 120.618 119.914 0.097 0.000 2.307 256 V HA -0.239 3.881 4.120 -0.001 0.000 0.245 256 V C 2.754 178.859 176.094 0.018 0.000 1.045 256 V CA 1.574 63.894 62.300 0.034 0.000 1.024 256 V CB -1.283 30.600 31.823 0.100 0.000 0.651 256 V HN 0.718 nan 8.190 nan 0.000 0.449 257 A N -0.353 122.498 122.820 0.051 0.000 1.873 257 A HA -0.367 3.952 4.320 -0.001 0.000 0.218 257 A C 2.182 179.817 177.584 0.084 0.000 1.193 257 A CA 2.582 54.660 52.037 0.068 0.000 0.629 257 A CB -0.717 18.314 19.000 0.051 0.000 0.826 257 A HN 0.540 nan 8.150 nan 0.000 0.447 258 Q N -0.082 119.740 119.800 0.036 0.000 2.045 258 Q HA -0.157 4.182 4.340 -0.001 0.000 0.206 258 Q C 2.128 178.157 176.000 0.048 0.000 0.991 258 Q CA 2.792 58.621 55.803 0.044 0.000 0.851 258 Q CB -0.894 27.837 28.738 -0.011 0.000 0.911 258 Q HN 0.753 nan 8.270 nan 0.000 0.418 259 V N -0.993 118.874 119.914 -0.079 0.000 2.407 259 V HA -0.194 3.925 4.120 -0.001 0.000 0.248 259 V C 2.031 178.083 176.094 -0.071 0.000 1.055 259 V CA 1.993 64.225 62.300 -0.114 0.000 1.049 259 V CB -0.481 31.213 31.823 -0.214 0.000 0.662 259 V HN 0.420 nan 8.190 nan 0.000 0.455 260 L N -0.969 120.235 121.223 -0.031 0.000 2.179 260 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 260 L C 2.531 179.415 176.870 0.023 0.000 1.096 260 L CA 1.919 56.735 54.840 -0.041 0.000 0.779 260 L CB -0.606 41.454 42.059 0.000 0.000 0.922 260 L HN 0.650 nan 8.230 nan 0.000 0.443 261 W N 1.830 123.093 121.300 -0.062 0.000 2.333 261 W HA -0.254 4.405 4.660 -0.001 0.000 0.316 261 W C 1.889 178.378 176.519 -0.049 0.000 1.215 261 W CA 1.994 59.314 57.345 -0.042 0.000 1.278 261 W CB -0.199 29.242 29.460 -0.031 0.000 1.154 261 W HN 0.266 nan 8.180 nan 0.000 0.486 262 D N 0.007 120.455 120.400 0.079 0.000 2.117 262 D HA -0.222 4.418 4.640 -0.001 0.000 0.197 262 D C 1.776 177.991 176.300 -0.143 0.000 0.987 262 D CA 1.492 55.470 54.000 -0.037 0.000 0.829 262 D CB -0.948 39.874 40.800 0.037 0.000 0.961 262 D HN 0.347 nan 8.370 nan 0.000 0.460 263 N N 0.682 119.299 118.700 -0.139 0.000 2.244 263 N HA -0.083 4.657 4.740 -0.001 0.000 0.183 263 N C 1.784 177.184 175.510 -0.182 0.000 1.016 263 N CA 0.878 53.829 53.050 -0.165 0.000 0.866 263 N CB 0.127 38.487 38.487 -0.211 0.000 0.980 263 N HN 0.101 nan 8.380 nan 0.000 0.430 264 A N 1.176 123.866 122.820 -0.217 0.000 1.855 264 A HA -0.048 4.272 4.320 -0.001 0.000 0.215 264 A C 2.529 179.937 177.584 -0.293 0.000 1.191 264 A CA 1.012 52.910 52.037 -0.231 0.000 0.613 264 A CB -0.829 18.039 19.000 -0.220 0.000 0.829 264 A HN 0.059 nan 8.150 nan 0.000 0.442 265 V N 0.604 120.246 119.914 -0.453 0.000 2.332 265 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 265 V C 3.194 179.159 176.094 -0.215 0.000 1.055 265 V CA 2.757 64.817 62.300 -0.400 0.000 1.038 265 V CB -1.297 30.212 31.823 -0.524 0.000 0.651 265 V HN 0.758 nan 8.190 nan 0.000 0.450 266 K N 0.070 120.366 120.400 -0.174 0.000 2.103 266 K HA -0.157 4.162 4.320 -0.001 0.000 0.207 266 K C 1.651 178.196 176.600 -0.092 0.000 1.048 266 K CA 1.431 57.652 56.287 -0.110 0.000 0.930 266 K CB -0.435 32.008 32.500 -0.095 0.000 0.716 266 K HN 0.583 nan 8.250 nan 0.000 0.444 267 R N -1.740 118.700 120.500 -0.099 0.000 2.811 267 R HA 0.400 4.740 4.340 -0.001 0.000 0.237 267 R C 1.598 177.857 176.300 -0.070 0.000 1.231 267 R CA 0.273 56.331 56.100 -0.070 0.000 1.070 267 R CB 0.034 30.296 30.300 -0.063 0.000 1.126 267 R HN 0.338 nan 8.270 nan 0.000 0.540 268 G N 0.175 108.944 108.800 -0.052 0.000 3.678 268 G HA2 0.052 4.012 3.960 -0.001 0.000 0.287 268 G HA3 0.052 4.012 3.960 -0.001 0.000 0.287 268 G C -0.405 174.459 174.900 -0.061 0.000 1.280 268 G CA -0.320 44.749 45.100 -0.052 0.000 1.118 268 G HN 0.353 nan 8.290 nan 0.000 0.563 269 T N 0.624 115.126 114.554 -0.088 0.000 2.946 269 T HA 0.019 4.368 4.350 -0.001 0.000 0.311 269 T C -0.015 174.637 174.700 -0.079 0.000 1.063 269 T CA 0.295 62.345 62.100 -0.083 0.000 1.139 269 T CB 1.492 70.288 68.868 -0.119 0.000 0.994 269 T HN 0.213 nan 8.240 nan 0.000 0.547 270 D N 3.062 123.439 120.400 -0.039 0.000 2.500 270 D HA 0.202 4.842 4.640 -0.001 0.000 0.219 270 D C -0.149 176.150 176.300 -0.001 0.000 1.137 270 D CA -0.400 53.592 54.000 -0.014 0.000 0.946 270 D CB -0.094 40.715 40.800 0.016 0.000 1.022 270 D HN 0.424 nan 8.370 nan 0.000 0.518 271 I N 3.052 123.606 120.570 -0.027 0.000 2.395 271 I HA 0.317 4.487 4.170 -0.001 0.000 0.289 271 I C 0.632 176.800 176.117 0.085 0.000 1.023 271 I CA -0.473 60.832 61.300 0.008 0.000 1.350 271 I CB 0.976 38.928 38.000 -0.079 0.000 1.409 271 I HN 0.000 nan 8.210 nan 0.000 0.507 272 R N 6.607 127.179 120.500 0.119 0.000 2.502 272 R HA 0.587 4.927 4.340 -0.001 0.000 0.298 272 R C -1.076 175.312 176.300 0.146 0.000 1.018 272 R CA -0.693 55.489 56.100 0.138 0.000 0.899 272 R CB 2.050 32.435 30.300 0.142 0.000 1.181 272 R HN 0.521 nan 8.270 nan 0.000 0.444 273 L N 1.864 123.179 121.223 0.154 0.000 2.448 273 L HA 0.393 4.732 4.340 -0.001 0.000 0.258 273 L C 0.510 177.448 176.870 0.113 0.000 1.104 273 L CA -0.985 53.936 54.840 0.135 0.000 0.800 273 L CB 0.548 42.688 42.059 0.135 0.000 1.241 273 L HN 0.707 nan 8.230 nan 0.000 0.472 274 N N -0.163 118.587 118.700 0.085 0.000 2.735 274 N HA -0.168 4.572 4.740 -0.001 0.000 0.248 274 N C -0.710 174.775 175.510 -0.042 0.000 1.083 274 N CA 0.771 53.827 53.050 0.010 0.000 0.703 274 N CB -1.170 37.328 38.487 0.017 0.000 1.005 274 N HN 0.547 nan 8.380 nan 0.000 0.550 275 S N 0.266 115.971 115.700 0.009 0.000 2.620 275 S HA 0.253 4.723 4.470 -0.001 0.000 0.244 275 S C 0.022 174.619 174.600 -0.006 0.000 1.192 275 S CA -0.720 57.482 58.200 0.003 0.000 1.148 275 S CB 2.068 65.306 63.200 0.064 0.000 1.106 275 S HN 0.282 nan 8.310 nan 0.000 0.474 276 R N 2.905 123.381 120.500 -0.041 0.000 2.221 276 R HA 0.450 4.790 4.340 -0.001 0.000 0.327 276 R C -0.757 175.524 176.300 -0.031 0.000 1.033 276 R CA -0.323 55.763 56.100 -0.023 0.000 0.887 276 R CB 0.548 30.824 30.300 -0.040 0.000 1.057 276 R HN 0.388 nan 8.270 nan 0.000 0.455 277 V N 6.642 126.549 119.914 -0.011 0.000 2.470 277 V HA 0.001 4.120 4.120 -0.001 0.000 0.276 277 V C 1.110 177.204 176.094 0.000 0.000 1.040 277 V CA 0.092 62.380 62.300 -0.020 0.000 1.008 277 V CB 1.263 33.081 31.823 -0.009 0.000 0.990 277 V HN 0.782 nan 8.190 nan 0.000 0.477 278 V N 2.782 122.700 119.914 0.008 0.000 3.528 278 V HA 0.543 4.662 4.120 -0.001 0.000 0.294 278 V C 0.400 176.497 176.094 0.006 0.000 1.404 278 V CA 0.012 62.326 62.300 0.023 0.000 1.065 278 V CB -0.143 31.722 31.823 0.069 0.000 0.904 278 V HN 0.788 nan 8.190 nan 0.000 0.435 279 R N -0.236 120.259 120.500 -0.008 0.000 2.633 279 R HA 0.580 4.919 4.340 -0.001 0.000 0.255 279 R C -1.855 174.432 176.300 -0.022 0.000 1.106 279 R CA -0.503 55.586 56.100 -0.019 0.000 0.959 279 R CB 1.476 31.755 30.300 -0.035 0.000 1.259 279 R HN 0.290 nan 8.270 nan 0.000 0.453 280 I N 4.689 125.247 120.570 -0.019 0.000 2.440 280 I HA 0.310 4.480 4.170 -0.001 0.000 0.294 280 I C -0.157 175.947 176.117 -0.021 0.000 0.995 280 I CA -0.656 60.633 61.300 -0.019 0.000 1.306 280 I CB 1.225 39.213 38.000 -0.020 0.000 1.407 280 I HN 0.440 nan 8.210 nan 0.000 0.501 281 L N 6.270 127.484 121.223 -0.016 0.000 2.265 281 L HA 0.278 4.617 4.340 -0.001 0.000 0.288 281 L C -0.187 176.677 176.870 -0.009 0.000 1.058 281 L CA -0.718 54.115 54.840 -0.013 0.000 0.809 281 L CB 0.620 42.675 42.059 -0.007 0.000 1.179 281 L HN 0.567 nan 8.230 nan 0.000 0.429 282 E N 2.655 122.849 120.200 -0.011 0.000 2.220 282 E HA 0.045 4.394 4.350 -0.001 0.000 0.272 282 E C -0.324 176.275 176.600 -0.001 0.000 1.099 282 E CA -0.302 56.093 56.400 -0.009 0.000 0.907 282 E CB 0.443 30.136 29.700 -0.013 0.000 1.022 282 E HN 0.420 nan 8.360 nan 0.000 0.428 287 K N 0.531 120.939 120.400 0.012 0.000 2.118 287 K HA 0.844 5.163 4.320 -0.001 0.000 0.267 287 K C 0.397 177.000 176.600 0.005 0.000 0.991 287 K CA -0.558 55.741 56.287 0.021 0.000 0.916 287 K CB 1.623 34.162 32.500 0.065 0.000 1.041 287 K HN 0.916 nan 8.250 nan 0.000 0.455 288 V N 2.961 122.862 119.914 -0.022 0.000 2.521 288 V HA 0.087 4.207 4.120 -0.001 0.000 0.286 288 V C 1.612 177.711 176.094 0.007 0.000 1.034 288 V CA 0.756 63.039 62.300 -0.028 0.000 1.045 288 V CB 0.462 32.242 31.823 -0.072 0.000 0.974 288 V HN 1.099 nan 8.190 nan 0.000 0.480 289 T N 1.233 115.795 114.554 0.014 0.000 3.038 289 T HA 0.463 4.812 4.350 -0.001 0.000 0.244 289 T C 0.819 175.537 174.700 0.031 0.000 1.016 289 T CA 0.503 62.623 62.100 0.032 0.000 1.098 289 T CB 0.689 69.574 68.868 0.028 0.000 0.954 289 T HN 0.904 nan 8.240 nan 0.000 0.469 290 G N 0.115 108.925 108.800 0.018 0.000 2.726 290 G HA2 0.570 4.530 3.960 -0.001 0.000 0.198 290 G HA3 0.570 4.530 3.960 -0.001 0.000 0.198 290 G C -1.941 172.962 174.900 0.004 0.000 1.195 290 G CA -0.041 45.071 45.100 0.020 0.000 0.951 290 G HN 0.381 nan 8.290 nan 0.000 0.532 291 V N 0.207 120.119 119.914 -0.004 0.000 3.077 291 V HA 0.519 4.638 4.120 -0.001 0.000 0.299 291 V C -1.444 174.620 176.094 -0.050 0.000 1.276 291 V CA -0.690 61.595 62.300 -0.025 0.000 0.993 291 V CB 2.141 33.950 31.823 -0.023 0.000 1.076 291 V HN 0.718 nan 8.190 nan 0.000 0.434 292 L N 5.648 126.838 121.223 -0.055 0.000 2.277 292 L HA 0.599 4.938 4.340 -0.001 0.000 0.284 292 L C -0.912 175.906 176.870 -0.087 0.000 1.028 292 L CA -0.324 54.478 54.840 -0.064 0.000 0.835 292 L CB 1.473 43.505 42.059 -0.045 0.000 1.215 292 L HN 0.502 nan 8.230 nan 0.000 0.425 293 V N 5.518 125.286 119.914 -0.243 0.000 2.406 293 V HA 0.245 4.364 4.120 -0.001 0.000 0.272 293 V C 0.516 176.471 176.094 -0.231 0.000 1.043 293 V CA -0.673 61.417 62.300 -0.349 0.000 0.915 293 V CB 1.371 32.657 31.823 -0.896 0.000 0.988 293 V HN 0.524 nan 8.190 nan 0.000 0.466 294 K N 4.566 124.891 120.400 -0.125 0.000 2.184 294 K HA 0.278 4.598 4.320 -0.001 0.000 0.259 294 K C 0.452 176.923 176.600 -0.214 0.000 1.119 294 K CA -0.188 55.933 56.287 -0.277 0.000 0.991 294 K CB 0.573 32.863 32.500 -0.351 0.000 1.522 294 K HN 0.852 nan 8.250 nan 0.000 0.405 295 G N 2.533 111.288 108.800 -0.076 0.000 2.313 295 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.250 295 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.250 295 G C 0.839 175.627 174.900 -0.188 0.000 1.281 295 G CA -0.211 44.885 45.100 -0.007 0.000 0.917 295 G HN 0.771 nan 8.290 nan 0.000 0.501 296 E N 1.704 121.704 120.200 -0.333 0.000 2.114 296 E HA -0.253 4.096 4.350 -0.001 0.000 0.199 296 E C 1.035 177.233 176.600 -0.670 0.000 1.008 296 E CA 1.858 57.905 56.400 -0.589 0.000 0.810 296 E CB -0.088 29.075 29.700 -0.895 0.000 0.739 296 E HN 0.825 nan 8.360 nan 0.000 0.456 297 Y N -1.596 118.715 120.300 0.018 0.000 2.524 297 Y HA 0.110 4.659 4.550 -0.001 0.000 0.270 297 Y C 2.317 178.222 175.900 0.009 0.000 1.094 297 Y CA 0.629 58.741 58.100 0.019 0.000 1.276 297 Y CB 0.360 38.848 38.460 0.047 0.000 1.130 297 Y HN 0.109 nan 8.280 nan 0.000 0.536 298 T N -2.051 112.560 114.554 0.096 0.000 3.107 298 T HA 0.535 4.884 4.350 -0.001 0.000 0.249 298 T C 1.114 175.844 174.700 0.051 0.000 1.096 298 T CA 0.318 62.460 62.100 0.070 0.000 1.012 298 T CB -0.402 68.494 68.868 0.046 0.000 0.977 298 T HN 0.508 nan 8.240 nan 0.000 0.527 299 G N 0.733 109.528 108.800 -0.008 0.000 2.681 299 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.220 299 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.220 299 G C -0.729 174.171 174.900 0.000 0.000 1.353 299 G CA -0.677 44.394 45.100 -0.049 0.000 0.872 299 G HN 0.460 nan 8.290 nan 0.000 0.557 300 Y N 0.018 120.378 120.300 0.101 0.000 2.300 300 Y HA 0.603 5.152 4.550 -0.001 0.000 0.328 300 Y C 0.786 176.814 175.900 0.213 0.000 1.270 300 Y CA 1.066 59.219 58.100 0.087 0.000 1.352 300 Y CB 1.437 39.914 38.460 0.027 0.000 1.286 300 Y HN 1.012 nan 8.280 nan 0.000 0.536 301 Y N -2.224 118.194 120.300 0.196 0.000 2.598 301 Y HA 0.538 5.087 4.550 -0.001 0.000 0.333 301 Y C -2.416 173.531 175.900 0.079 0.000 1.196 301 Y CA -1.595 56.567 58.100 0.103 0.000 1.145 301 Y CB -0.063 38.439 38.460 0.070 0.000 1.349 301 Y HN 0.285 nan 8.280 nan 0.000 0.469 302 V N 4.817 124.864 119.914 0.223 0.000 2.472 302 V HA 0.515 4.634 4.120 -0.001 0.000 0.290 302 V C -0.074 176.124 176.094 0.173 0.000 1.037 302 V CA -0.642 61.723 62.300 0.109 0.000 0.908 302 V CB 1.526 33.398 31.823 0.080 0.000 0.985 302 V HN 0.687 nan 8.190 nan 0.000 0.454 303 I N 4.183 124.809 120.570 0.093 0.000 2.410 303 I HA 0.474 4.643 4.170 -0.001 0.000 0.286 303 I C 0.368 176.528 176.117 0.071 0.000 1.009 303 I CA -0.581 60.788 61.300 0.114 0.000 1.111 303 I CB 1.496 39.559 38.000 0.105 0.000 1.262 303 I HN 0.699 nan 8.210 nan 0.000 0.443 304 K N 4.684 125.127 120.400 0.072 0.000 2.174 304 K HA 0.898 5.218 4.320 -0.001 0.000 0.275 304 K C -0.401 176.235 176.600 0.059 0.000 1.015 304 K CA -0.084 56.237 56.287 0.057 0.000 0.933 304 K CB 1.547 34.079 32.500 0.054 0.000 1.025 304 K HN 0.869 nan 8.250 nan 0.000 0.463 305 A N -0.246 122.608 122.820 0.058 0.000 2.586 305 A HA 0.687 5.006 4.320 -0.001 0.000 0.290 305 A C 0.535 178.168 177.584 0.081 0.000 1.086 305 A CA 0.387 52.464 52.037 0.066 0.000 0.665 305 A CB 0.483 19.518 19.000 0.058 0.000 1.279 305 A HN 1.004 nan 8.150 nan 0.000 0.423 306 D N -0.609 119.858 120.400 0.112 0.000 2.355 306 D HA 0.585 5.224 4.640 -0.001 0.000 0.206 306 D C 0.556 176.928 176.300 0.120 0.000 1.010 306 D CA 1.345 55.456 54.000 0.186 0.000 0.875 306 D CB 0.313 41.280 40.800 0.279 0.000 0.966 306 D HN 1.774 nan 8.370 nan 0.000 0.512 307 A N -0.307 122.553 122.820 0.066 0.000 2.422 307 A HA 0.659 4.978 4.320 -0.001 0.000 0.302 307 A C -1.185 176.425 177.584 0.044 0.000 1.041 307 A CA -0.352 51.688 52.037 0.005 0.000 0.708 307 A CB 2.292 21.322 19.000 0.051 0.000 1.257 307 A HN 0.416 nan 8.150 nan 0.000 0.414 308 V N 3.154 123.100 119.914 0.054 0.000 2.326 308 V HA 0.291 4.411 4.120 -0.001 0.000 0.281 308 V C -0.240 175.922 176.094 0.113 0.000 1.015 308 V CA -0.469 61.864 62.300 0.055 0.000 0.823 308 V CB 1.382 33.213 31.823 0.013 0.000 1.009 308 V HN 0.669 nan 8.190 nan 0.000 0.436 309 V N 7.143 127.120 119.914 0.104 0.000 2.432 309 V HA 0.354 4.473 4.120 -0.001 0.000 0.271 309 V C 0.200 176.348 176.094 0.091 0.000 1.046 309 V CA -0.110 62.265 62.300 0.124 0.000 0.945 309 V CB 1.273 33.148 31.823 0.088 0.000 0.992 309 V HN 0.636 nan 8.190 nan 0.000 0.471 310 I N 4.690 125.313 120.570 0.088 0.000 2.304 310 I HA 0.509 4.679 4.170 -0.001 0.000 0.291 310 I C 0.657 176.821 176.117 0.077 0.000 1.018 310 I CA 0.064 61.404 61.300 0.067 0.000 1.260 310 I CB 1.344 39.372 38.000 0.046 0.000 1.390 310 I HN 0.683 nan 8.210 nan 0.000 0.475 311 A N 5.060 127.928 122.820 0.081 0.000 2.663 311 A HA 0.579 4.898 4.320 -0.001 0.000 0.273 311 A C 1.170 178.810 177.584 0.094 0.000 0.932 311 A CA -0.048 52.044 52.037 0.091 0.000 1.055 311 A CB 0.239 19.298 19.000 0.099 0.000 1.206 311 A HN 0.748 nan 8.150 nan 0.000 0.485 312 A N -0.354 122.520 122.820 0.090 0.000 2.239 312 A HA 0.470 4.790 4.320 -0.001 0.000 0.209 312 A C 1.570 179.220 177.584 0.110 0.000 1.171 312 A CA 1.233 53.331 52.037 0.102 0.000 0.768 312 A CB -0.872 18.184 19.000 0.093 0.000 0.790 312 A HN 2.271 nan 8.150 nan 0.000 0.478 313 G N -1.906 106.950 108.800 0.093 0.000 2.750 313 G HA2 0.207 4.166 3.960 -0.001 0.000 0.228 313 G HA3 0.207 4.166 3.960 -0.001 0.000 0.228 313 G C 0.502 175.432 174.900 0.050 0.000 1.367 313 G CA -0.291 44.854 45.100 0.075 0.000 0.871 313 G HN 1.360 nan 8.290 nan 0.000 0.560 314 G N -1.662 107.127 108.800 -0.019 0.000 2.525 314 G HA2 0.697 4.656 3.960 -0.001 0.000 0.287 314 G HA3 0.697 4.656 3.960 -0.001 0.000 0.287 314 G C 0.566 175.489 174.900 0.037 0.000 1.350 314 G CA 0.336 45.395 45.100 -0.068 0.000 1.039 314 G HN 1.664 nan 8.290 nan 0.000 0.513 315 F N -1.576 118.315 119.950 -0.098 0.000 2.688 315 F HA 0.700 5.226 4.527 -0.002 0.000 0.310 315 F C 1.037 176.782 175.800 -0.092 0.000 1.098 315 F CA -0.754 57.193 58.000 -0.087 0.000 1.228 315 F CB -0.275 38.675 39.000 -0.082 0.000 1.042 315 F HN 0.422 nan 8.300 nan 0.000 0.557 316 A N 1.706 124.310 122.820 -0.361 0.000 2.531 316 A HA 0.408 4.727 4.320 -0.001 0.000 0.236 316 A C 1.287 178.807 177.584 -0.107 0.000 1.062 316 A CA 0.949 52.835 52.037 -0.251 0.000 0.760 316 A CB 0.225 19.095 19.000 -0.216 0.000 0.995 316 A HN 0.679 nan 8.150 nan 0.000 0.501 317 K N 0.088 120.450 120.400 -0.063 0.000 3.114 317 K HA -0.136 4.183 4.320 -0.001 0.000 0.348 317 K C -0.035 176.543 176.600 -0.037 0.000 0.663 317 K CA 1.244 57.502 56.287 -0.048 0.000 1.509 317 K CB -1.357 31.105 32.500 -0.064 0.000 1.062 317 K HN 0.788 nan 8.250 nan 0.000 0.524 318 N N 1.616 120.300 118.700 -0.027 0.000 2.602 318 N HA 0.171 4.910 4.740 -0.001 0.000 0.238 318 N C 0.293 175.788 175.510 -0.025 0.000 1.084 318 N CA 0.484 53.484 53.050 -0.083 0.000 0.952 318 N CB 0.594 38.971 38.487 -0.184 0.000 1.244 318 N HN 0.394 nan 8.380 nan 0.000 0.512 319 N N 2.352 121.036 118.700 -0.026 0.000 2.244 319 N HA -0.096 4.644 4.740 -0.001 0.000 0.183 319 N C 1.211 176.715 175.510 -0.011 0.000 1.016 319 N CA 0.993 54.041 53.050 -0.004 0.000 0.866 319 N CB 0.243 38.734 38.487 0.006 0.000 0.980 319 N HN 0.539 nan 8.380 nan 0.000 0.430 320 E N 0.077 120.253 120.200 -0.041 0.000 2.058 320 E HA -0.260 4.090 4.350 -0.001 0.000 0.194 320 E C 2.000 178.574 176.600 -0.042 0.000 0.997 320 E CA 1.021 57.391 56.400 -0.050 0.000 0.801 320 E CB -0.046 29.608 29.700 -0.076 0.000 0.746 320 E HN 0.368 nan 8.360 nan 0.000 0.450 321 R N 0.344 120.821 120.500 -0.038 0.000 2.073 321 R HA -0.077 4.263 4.340 -0.001 0.000 0.229 321 R C 2.341 178.768 176.300 0.211 0.000 1.120 321 R CA 0.915 57.026 56.100 0.019 0.000 0.967 321 R CB -0.168 30.095 30.300 -0.063 0.000 0.862 321 R HN -0.027 nan 8.270 nan 0.000 0.436 322 V N 1.291 121.365 119.914 0.266 0.000 2.343 322 V HA -0.213 3.907 4.120 -0.001 0.000 0.247 322 V C 2.709 178.898 176.094 0.158 0.000 1.051 322 V CA 2.279 64.747 62.300 0.279 0.000 1.036 322 V CB -0.772 31.119 31.823 0.113 0.000 0.654 322 V HN 0.702 nan 8.190 nan 0.000 0.451 323 S N -0.008 115.726 115.700 0.057 0.000 2.442 323 S HA -0.197 4.272 4.470 -0.001 0.000 0.236 323 S C 2.119 176.712 174.600 -0.012 0.000 1.007 323 S CA 1.950 60.147 58.200 -0.005 0.000 0.965 323 S CB -0.546 62.636 63.200 -0.030 0.000 0.773 323 S HN 0.602 nan 8.310 nan 0.000 0.504 324 K N -0.116 120.273 120.400 -0.019 0.000 2.283 324 K HA 0.086 4.405 4.320 -0.001 0.000 0.202 324 K C 1.616 178.079 176.600 -0.227 0.000 1.048 324 K CA 1.380 57.574 56.287 -0.155 0.000 0.948 324 K CB -0.882 31.461 32.500 -0.262 0.000 0.742 324 K HN 0.742 nan 8.250 nan 0.000 0.458 325 Y N -0.793 119.490 120.300 -0.028 0.000 2.498 325 Y HA 0.248 4.798 4.550 0.000 0.000 0.259 325 Y C 0.526 176.394 175.900 -0.052 0.000 1.086 325 Y CA -0.363 57.714 58.100 -0.038 0.000 1.287 325 Y CB 1.144 39.597 38.460 -0.013 0.000 1.146 325 Y HN 0.294 nan 8.280 nan 0.000 0.523 326 D N -0.078 120.392 120.400 0.116 0.000 2.381 326 D HA 0.198 4.837 4.640 -0.001 0.000 0.245 326 D C -2.685 173.589 176.300 -0.044 0.000 1.297 326 D CA -1.991 52.020 54.000 0.018 0.000 0.931 326 D CB 1.481 42.288 40.800 0.011 0.000 1.334 326 D HN -0.092 nan 8.370 nan 0.000 0.535 327 P HA 0.045 nan 4.420 nan 0.000 0.247 327 P C 1.097 178.319 177.300 -0.129 0.000 1.225 327 P CA 0.437 63.488 63.100 -0.081 0.000 0.768 327 P CB 0.054 31.719 31.700 -0.059 0.000 1.020 328 K N 0.795 121.093 120.400 -0.169 0.000 2.057 328 K HA -0.067 4.252 4.320 -0.001 0.000 0.206 328 K C 1.932 178.215 176.600 -0.528 0.000 1.050 328 K CA 1.336 57.477 56.287 -0.243 0.000 0.935 328 K CB -1.777 30.600 32.500 -0.206 0.000 0.715 328 K HN 0.228 nan 8.250 nan 0.000 0.439 329 L N 0.951 121.792 121.223 -0.636 0.000 2.551 329 L HA 0.074 4.413 4.340 -0.001 0.000 0.228 329 L C 1.811 178.436 176.870 -0.408 0.000 1.153 329 L CA 0.391 54.686 54.840 -0.909 0.000 0.851 329 L CB -1.388 40.382 42.059 -0.482 0.000 0.959 329 L HN 0.412 nan 8.230 nan 0.000 0.451 330 K N 1.139 121.411 120.400 -0.213 0.000 2.489 330 K HA 0.351 4.671 4.320 -0.001 0.000 0.278 330 K C 1.367 177.987 176.600 0.032 0.000 1.000 330 K CA 0.506 56.755 56.287 -0.063 0.000 1.012 330 K CB -0.520 31.956 32.500 -0.041 0.000 0.903 330 K HN 0.443 nan 8.250 nan 0.000 0.485 331 G N 1.022 109.866 108.800 0.072 0.000 2.267 331 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.257 331 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.257 331 G C 0.581 175.604 174.900 0.205 0.000 0.998 331 G CA 0.356 45.527 45.100 0.118 0.000 0.620 331 G HN 0.751 nan 8.290 nan 0.000 0.529 332 F N 1.587 121.509 119.950 -0.046 0.000 2.586 332 F HA 0.438 4.964 4.527 -0.002 0.000 0.335 332 F C 1.303 177.035 175.800 -0.113 0.000 1.210 332 F CA 0.383 58.337 58.000 -0.076 0.000 1.359 332 F CB 0.443 39.397 39.000 -0.077 0.000 1.142 332 F HN 0.435 nan 8.300 nan 0.000 0.606 333 K N 0.996 121.348 120.400 -0.081 0.000 2.106 333 K HA 0.830 5.150 4.320 -0.001 0.000 0.246 333 K C -0.807 175.632 176.600 -0.268 0.000 0.987 333 K CA -0.249 55.903 56.287 -0.226 0.000 0.904 333 K CB 1.152 33.400 32.500 -0.419 0.000 1.071 333 K HN 0.834 nan 8.250 nan 0.000 0.453 334 A N 0.058 122.727 122.820 -0.253 0.000 2.356 334 A HA 0.625 4.945 4.320 -0.001 0.000 0.323 334 A C 0.924 178.399 177.584 -0.181 0.000 1.119 334 A CA 0.279 52.214 52.037 -0.170 0.000 0.790 334 A CB 1.072 20.026 19.000 -0.077 0.000 1.273 334 A HN 1.215 nan 8.150 nan 0.000 0.452 335 T N -1.141 113.389 114.554 -0.041 0.000 3.107 335 T HA 0.124 4.473 4.350 -0.001 0.000 0.249 335 T C 0.400 175.152 174.700 0.086 0.000 1.096 335 T CA 0.102 62.259 62.100 0.095 0.000 1.012 335 T CB -0.593 68.430 68.868 0.259 0.000 0.977 335 T HN 0.449 nan 8.240 nan 0.000 0.527 336 N N 1.957 120.679 118.700 0.037 0.000 2.434 336 N HA 0.369 5.108 4.740 -0.001 0.000 0.266 336 N C 0.062 175.625 175.510 0.089 0.000 1.223 336 N CA -0.676 52.412 53.050 0.063 0.000 0.972 336 N CB 0.593 39.082 38.487 0.003 0.000 1.207 336 N HN 0.713 nan 8.380 nan 0.000 0.525 337 H N -1.600 117.490 119.070 0.033 0.000 2.548 337 H HA 0.289 4.845 4.556 -0.000 0.000 0.366 337 H C -1.799 173.571 175.328 0.070 0.000 1.433 337 H CA -1.161 54.918 56.048 0.052 0.000 1.443 337 H CB 0.129 29.958 29.762 0.113 0.000 1.594 337 H HN 0.377 nan 8.280 nan 0.000 0.608 338 P HA 0.011 nan 4.420 nan 0.000 0.233 338 P C 1.162 178.347 177.300 -0.191 0.000 1.167 338 P CA 1.428 64.484 63.100 -0.072 0.000 0.770 338 P CB -0.074 31.756 31.700 0.216 0.000 0.837 339 G N 0.167 108.602 108.800 -0.607 0.000 2.777 339 G HA2 0.121 4.081 3.960 -0.001 0.000 0.211 339 G HA3 0.121 4.081 3.960 -0.001 0.000 0.211 339 G C 0.923 175.751 174.900 -0.121 0.000 1.149 339 G CA 0.239 45.225 45.100 -0.189 0.000 0.785 339 G HN 0.362 nan 8.290 nan 0.000 0.536 340 A N 1.415 124.075 122.820 -0.268 0.000 3.048 340 A HA 0.467 4.787 4.320 -0.001 0.000 0.264 340 A C 1.576 179.167 177.584 0.012 0.000 1.796 340 A CA 0.670 52.686 52.037 -0.035 0.000 1.445 340 A CB -0.680 18.296 19.000 -0.040 0.000 1.074 340 A HN 0.299 nan 8.150 nan 0.000 0.621 341 T N -3.622 110.978 114.554 0.076 0.000 3.044 341 T HA 0.450 4.799 4.350 -0.001 0.000 0.260 341 T C 1.219 175.954 174.700 0.058 0.000 1.019 341 T CA 0.845 62.970 62.100 0.042 0.000 0.921 341 T CB 0.367 69.287 68.868 0.086 0.000 1.053 341 T HN 1.713 nan 8.240 nan 0.000 0.533 342 G N 1.281 110.170 108.800 0.147 0.000 2.184 342 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.206 342 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.206 342 G C 0.475 175.448 174.900 0.121 0.000 0.995 342 G CA 0.215 45.383 45.100 0.114 0.000 0.651 342 G HN 0.404 nan 8.290 nan 0.000 0.511 343 D N 0.907 121.419 120.400 0.187 0.000 2.160 343 D HA -0.136 4.503 4.640 -0.001 0.000 0.189 343 D C 2.555 178.912 176.300 0.095 0.000 1.003 343 D CA 2.352 56.447 54.000 0.158 0.000 0.846 343 D CB -0.931 39.955 40.800 0.142 0.000 0.949 343 D HN 0.609 nan 8.370 nan 0.000 0.446 344 G N 1.188 110.043 108.800 0.092 0.000 2.672 344 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.218 344 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.218 344 G C 1.797 176.726 174.900 0.049 0.000 1.238 344 G CA 1.021 46.162 45.100 0.069 0.000 0.791 344 G HN 0.288 nan 8.290 nan 0.000 0.606 345 L N 0.380 121.630 121.223 0.046 0.000 1.976 345 L HA -0.222 4.117 4.340 -0.001 0.000 0.223 345 L C 2.815 179.687 176.870 0.003 0.000 1.081 345 L CA 2.105 56.953 54.840 0.013 0.000 0.784 345 L CB -0.681 41.363 42.059 -0.024 0.000 0.896 345 L HN 0.252 nan 8.230 nan 0.000 0.438 346 D N -0.499 119.907 120.400 0.010 0.000 2.154 346 D HA -0.209 4.431 4.640 -0.001 0.000 0.190 346 D C 2.161 178.469 176.300 0.013 0.000 1.003 346 D CA 1.529 55.538 54.000 0.015 0.000 0.849 346 D CB -0.561 40.268 40.800 0.048 0.000 0.942 346 D HN 0.182 nan 8.370 nan 0.000 0.446 347 V N 1.341 121.267 119.914 0.020 0.000 2.287 347 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 347 V C 2.545 178.638 176.094 -0.001 0.000 1.053 347 V CA 1.949 64.255 62.300 0.010 0.000 1.027 347 V CB -0.822 31.011 31.823 0.016 0.000 0.646 347 V HN 0.237 nan 8.190 nan 0.000 0.447 348 A N -0.408 122.412 122.820 0.000 0.000 1.877 348 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 348 A C 2.219 179.793 177.584 -0.016 0.000 1.186 348 A CA 1.767 53.798 52.037 -0.010 0.000 0.620 348 A CB -0.560 18.436 19.000 -0.006 0.000 0.822 348 A HN 0.486 nan 8.150 nan 0.000 0.443 349 L N -0.938 120.276 121.223 -0.014 0.000 2.013 349 L HA -0.311 4.028 4.340 -0.001 0.000 0.212 349 L C 3.419 180.278 176.870 -0.018 0.000 1.073 349 L CA 1.975 56.804 54.840 -0.017 0.000 0.753 349 L CB -1.046 41.001 42.059 -0.019 0.000 0.890 349 L HN 0.635 nan 8.230 nan 0.000 0.432 350 Q N -0.019 119.772 119.800 -0.015 0.000 2.152 350 Q HA -0.184 4.155 4.340 -0.001 0.000 0.206 350 Q C 2.149 178.137 176.000 -0.020 0.000 0.985 350 Q CA 1.941 57.734 55.803 -0.017 0.000 0.863 350 Q CB -1.106 27.623 28.738 -0.015 0.000 0.904 350 Q HN 0.642 nan 8.270 nan 0.000 0.422 351 A N -0.851 121.956 122.820 -0.022 0.000 2.238 351 A HA 0.474 4.794 4.320 -0.001 0.000 0.208 351 A C 1.874 179.441 177.584 -0.029 0.000 1.177 351 A CA 1.060 53.081 52.037 -0.027 0.000 0.804 351 A CB -0.644 18.338 19.000 -0.031 0.000 0.823 351 A HN 1.866 nan 8.150 nan 0.000 0.482 352 G N -1.582 107.203 108.800 -0.025 0.000 2.212 352 G HA2 0.129 4.088 3.960 -0.001 0.000 0.255 352 G HA3 0.129 4.088 3.960 -0.001 0.000 0.255 352 G C 0.280 175.163 174.900 -0.028 0.000 1.062 352 G CA 0.310 45.395 45.100 -0.025 0.000 0.815 352 G HN 1.526 nan 8.290 nan 0.000 0.497 353 A N -0.444 122.358 122.820 -0.029 0.000 2.322 353 A HA 0.946 5.265 4.320 -0.001 0.000 0.269 353 A C 0.880 178.450 177.584 -0.024 0.000 1.094 353 A CA 0.712 52.730 52.037 -0.031 0.000 0.807 353 A CB 0.876 19.857 19.000 -0.033 0.000 1.047 353 A HN 2.118 nan 8.150 nan 0.000 0.487 354 A N 1.012 123.817 122.820 -0.024 0.000 2.286 354 A HA 0.736 5.055 4.320 -0.001 0.000 0.286 354 A C 0.610 178.186 177.584 -0.013 0.000 1.097 354 A CA 0.342 52.370 52.037 -0.016 0.000 0.821 354 A CB 0.164 19.154 19.000 -0.016 0.000 1.076 354 A HN 1.638 nan 8.150 nan 0.000 0.490 355 T N -1.232 113.319 114.554 -0.005 0.000 2.838 355 T HA 0.853 5.203 4.350 -0.001 0.000 0.292 355 T C -0.516 174.190 174.700 0.009 0.000 1.113 355 T CA -0.927 61.174 62.100 0.001 0.000 1.008 355 T CB 1.581 70.451 68.868 0.003 0.000 1.259 355 T HN 1.214 nan 8.240 nan 0.000 0.520 356 R N -0.969 119.542 120.500 0.018 0.000 2.716 356 R HA 0.547 4.886 4.340 -0.001 0.000 0.271 356 R C -1.512 174.816 176.300 0.047 0.000 1.028 356 R CA -0.824 55.295 56.100 0.031 0.000 0.883 356 R CB 0.243 30.562 30.300 0.032 0.000 1.250 356 R HN 0.549 nan 8.270 nan 0.000 0.465 357 D N 0.897 121.339 120.400 0.070 0.000 2.782 357 D HA -0.203 4.436 4.640 -0.001 0.000 0.231 357 D C 0.929 177.237 176.300 0.013 0.000 1.163 357 D CA 1.027 55.097 54.000 0.116 0.000 0.680 357 D CB -0.713 40.261 40.800 0.290 0.000 1.062 357 D HN 0.590 nan 8.370 nan 0.000 0.425 358 L N 0.282 121.459 121.223 -0.077 0.000 2.131 358 L HA -0.239 4.101 4.340 -0.001 0.000 0.210 358 L C 2.871 179.398 176.870 -0.572 0.000 1.092 358 L CA 1.667 56.372 54.840 -0.226 0.000 0.759 358 L CB -0.246 41.682 42.059 -0.218 0.000 0.903 358 L HN 0.268 nan 8.230 nan 0.000 0.435 359 Q N 0.058 119.570 119.800 -0.480 0.000 2.230 359 Q HA -0.190 4.149 4.340 -0.001 0.000 0.202 359 Q C 0.126 175.943 176.000 -0.305 0.000 0.963 359 Q CA 0.953 56.513 55.803 -0.405 0.000 0.866 359 Q CB -0.622 27.998 28.738 -0.196 0.000 0.931 359 Q HN 0.432 nan 8.270 nan 0.000 0.452 360 Y N 1.424 121.682 120.300 -0.071 0.000 2.624 360 Y HA 0.323 4.873 4.550 -0.000 0.000 0.354 360 Y C 0.101 175.961 175.900 -0.068 0.000 1.051 360 Y CA -0.438 57.639 58.100 -0.039 0.000 1.377 360 Y CB 0.299 38.754 38.460 -0.008 0.000 1.168 360 Y HN -0.015 nan 8.280 nan 0.000 0.525 361 I N 3.877 124.482 120.570 0.057 0.000 2.354 361 I HA 0.168 4.338 4.170 -0.001 0.000 0.286 361 I C -0.305 175.825 176.117 0.022 0.000 1.007 361 I CA -0.699 60.581 61.300 -0.033 0.000 1.167 361 I CB 1.438 39.388 38.000 -0.082 0.000 1.320 361 I HN 0.513 nan 8.210 nan 0.000 0.458 362 Q N 5.332 125.161 119.800 0.048 0.000 2.295 362 Q HA 0.574 4.913 4.340 -0.001 0.000 0.259 362 Q C -0.606 175.469 176.000 0.124 0.000 0.976 362 Q CA -0.494 55.363 55.803 0.091 0.000 0.923 362 Q CB 1.310 30.128 28.738 0.133 0.000 1.185 362 Q HN 0.784 nan 8.270 nan 0.000 0.410 363 A N 4.571 127.450 122.820 0.098 0.000 2.292 363 A HA 0.256 4.575 4.320 -0.001 0.000 0.319 363 A C -1.096 176.530 177.584 0.070 0.000 1.206 363 A CA -0.588 51.528 52.037 0.130 0.000 0.835 363 A CB 0.697 19.795 19.000 0.162 0.000 1.164 363 A HN 0.865 nan 8.150 nan 0.000 0.505 364 H N 4.900 123.949 119.070 -0.036 0.000 2.742 364 H HA 0.185 4.740 4.556 -0.001 0.000 0.302 364 H C -1.654 173.630 175.328 -0.073 0.000 1.069 364 H CA -1.478 54.462 56.048 -0.181 0.000 1.446 364 H CB 1.632 31.171 29.762 -0.372 0.000 1.462 364 H HN 0.426 nan 8.280 nan 0.000 0.499 365 P HA -0.081 nan 4.420 nan 0.000 0.221 365 P C 0.366 177.729 177.300 0.105 0.000 1.150 365 P CA 0.885 64.001 63.100 0.027 0.000 0.800 365 P CB 0.229 31.899 31.700 -0.050 0.000 0.787 366 T N -3.396 111.310 114.554 0.254 0.000 3.331 366 T HA 0.358 4.707 4.350 -0.001 0.000 0.381 366 T C -0.835 173.885 174.700 0.034 0.000 1.656 366 T CA -0.859 61.309 62.100 0.114 0.000 1.453 366 T CB -0.726 68.179 68.868 0.061 0.000 1.066 366 T HN -0.036 nan 8.240 nan 0.000 0.655 367 Y N 1.947 122.183 120.300 -0.107 0.000 2.457 367 Y HA 0.682 5.232 4.550 -0.001 0.000 0.333 367 Y C -0.147 175.653 175.900 -0.168 0.000 1.119 367 Y CA -1.023 56.973 58.100 -0.173 0.000 1.143 367 Y CB 2.026 40.403 38.460 -0.138 0.000 1.230 367 Y HN 0.489 nan 8.280 nan 0.000 0.469 368 S N 6.616 121.753 115.700 -0.939 0.000 2.422 368 S HA 0.380 4.849 4.470 -0.001 0.000 0.308 368 S C -2.056 172.109 174.600 -0.724 0.000 1.097 368 S CA -1.785 56.035 58.200 -0.634 0.000 1.099 368 S CB 1.012 63.918 63.200 -0.489 0.000 0.976 368 S HN 0.669 nan 8.310 nan 0.000 0.471 369 P HA -0.072 nan 4.420 nan 0.000 0.214 369 P C 1.413 178.629 177.300 -0.140 0.000 1.163 369 P CA 1.586 64.624 63.100 -0.104 0.000 0.883 369 P CB 0.033 31.705 31.700 -0.046 0.000 0.788 370 A N -0.415 122.319 122.820 -0.144 0.000 1.902 370 A HA -0.075 4.244 4.320 -0.001 0.000 0.217 370 A C 2.412 179.917 177.584 -0.131 0.000 1.181 370 A CA 2.147 54.121 52.037 -0.106 0.000 0.623 370 A CB -1.750 17.206 19.000 -0.073 0.000 0.818 370 A HN 0.328 nan 8.150 nan 0.000 0.443 371 G N -2.295 106.386 108.800 -0.198 0.000 2.744 371 G HA2 0.365 4.324 3.960 -0.001 0.000 0.211 371 G HA3 0.365 4.324 3.960 -0.001 0.000 0.211 371 G C 1.134 175.890 174.900 -0.240 0.000 1.146 371 G CA 0.532 45.526 45.100 -0.176 0.000 0.787 371 G HN 1.661 nan 8.290 nan 0.000 0.534 372 G N -0.839 107.759 108.800 -0.337 0.000 2.198 372 G HA2 0.033 3.992 3.960 -0.001 0.000 0.257 372 G HA3 0.033 3.992 3.960 -0.001 0.000 0.257 372 G C 0.072 174.817 174.900 -0.258 0.000 1.042 372 G CA 0.593 45.557 45.100 -0.227 0.000 0.791 372 G HN 1.586 nan 8.290 nan 0.000 0.502 373 V N -3.764 115.840 119.914 -0.518 0.000 3.087 373 V HA 0.824 4.944 4.120 -0.001 0.000 0.306 373 V C 0.439 176.302 176.094 -0.384 0.000 1.187 373 V CA -1.094 61.034 62.300 -0.287 0.000 0.999 373 V CB 1.922 33.643 31.823 -0.169 0.000 1.049 373 V HN 0.563 nan 8.190 nan 0.000 0.431 374 M N 3.580 123.107 119.600 -0.122 0.000 2.245 374 M HA 0.561 5.040 4.480 -0.001 0.000 0.330 374 M C -0.533 175.577 176.300 -0.317 0.000 1.098 374 M CA -0.145 55.029 55.300 -0.209 0.000 1.172 374 M CB 0.973 33.428 32.600 -0.242 0.000 1.467 374 M HN 0.958 nan 8.290 nan 0.000 0.454 375 I N 2.681 123.015 120.570 -0.393 0.000 2.418 375 I HA 0.318 4.488 4.170 -0.001 0.000 0.287 375 I C -0.095 175.900 176.117 -0.203 0.000 1.008 375 I CA -0.357 60.668 61.300 -0.459 0.000 1.104 375 I CB 1.868 39.401 38.000 -0.780 0.000 1.264 375 I HN 0.741 nan 8.210 nan 0.000 0.438 376 T N 3.535 118.081 114.554 -0.014 0.000 2.934 376 T HA -0.080 4.269 4.350 -0.001 0.000 0.321 376 T C 1.071 175.805 174.700 0.056 0.000 1.080 376 T CA 0.981 63.112 62.100 0.051 0.000 1.132 376 T CB 0.454 69.379 68.868 0.094 0.000 1.039 376 T HN 0.948 nan 8.240 nan 0.000 0.543 377 E N 2.739 122.998 120.200 0.100 0.000 2.268 377 E HA -0.067 4.282 4.350 -0.001 0.000 0.195 377 E C 2.131 178.729 176.600 -0.003 0.000 0.995 377 E CA 1.023 57.449 56.400 0.044 0.000 0.836 377 E CB -0.401 29.308 29.700 0.016 0.000 0.763 377 E HN 0.788 nan 8.360 nan 0.000 0.491 378 A N 0.256 123.075 122.820 -0.001 0.000 2.019 378 A HA -0.136 4.183 4.320 -0.001 0.000 0.219 378 A C 2.313 179.861 177.584 -0.060 0.000 1.164 378 A CA 1.287 53.308 52.037 -0.026 0.000 0.644 378 A CB -0.510 18.475 19.000 -0.024 0.000 0.805 378 A HN 0.233 nan 8.150 nan 0.000 0.449 379 V N -0.257 119.608 119.914 -0.080 0.000 2.343 379 V HA -0.274 3.845 4.120 -0.001 0.000 0.247 379 V C 2.638 178.660 176.094 -0.121 0.000 1.051 379 V CA 2.331 64.526 62.300 -0.173 0.000 1.036 379 V CB -0.739 30.943 31.823 -0.236 0.000 0.654 379 V HN 0.546 nan 8.190 nan 0.000 0.451 380 R N -0.153 120.306 120.500 -0.068 0.000 2.073 380 R HA -0.056 4.283 4.340 -0.001 0.000 0.229 380 R C 2.499 178.785 176.300 -0.023 0.000 1.120 380 R CA 1.261 57.335 56.100 -0.044 0.000 0.967 380 R CB -0.815 29.457 30.300 -0.047 0.000 0.862 380 R HN 0.592 nan 8.270 nan 0.000 0.436 381 G N 1.255 110.040 108.800 -0.026 0.000 2.476 381 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.218 381 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.218 381 G C 1.017 175.914 174.900 -0.005 0.000 1.164 381 G CA 0.971 46.064 45.100 -0.013 0.000 0.768 381 G HN 0.282 nan 8.290 nan 0.000 0.560 382 N N 0.718 119.404 118.700 -0.023 0.000 2.501 382 N HA 0.267 5.007 4.740 -0.001 0.000 0.195 382 N C 1.440 176.961 175.510 0.019 0.000 1.213 382 N CA 1.017 54.059 53.050 -0.014 0.000 0.864 382 N CB 0.375 38.834 38.487 -0.047 0.000 0.999 382 N HN 0.522 nan 8.380 nan 0.000 0.454 383 G N -1.643 107.182 108.800 0.041 0.000 2.421 383 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.188 383 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.188 383 G C 0.248 175.192 174.900 0.073 0.000 1.001 383 G CA -0.182 44.976 45.100 0.096 0.000 0.693 383 G HN 0.516 nan 8.290 nan 0.000 0.479 384 A N 0.831 123.675 122.820 0.040 0.000 2.531 384 A HA 0.595 4.914 4.320 -0.001 0.000 0.236 384 A C 0.695 178.233 177.584 -0.077 0.000 1.062 384 A CA 0.825 52.895 52.037 0.054 0.000 0.760 384 A CB -0.190 18.847 19.000 0.061 0.000 0.995 384 A HN 1.635 nan 8.150 nan 0.000 0.501 385 I N -0.484 119.996 120.570 -0.150 0.000 2.863 385 I HA 0.825 4.995 4.170 -0.001 0.000 0.311 385 I C -0.597 175.431 176.117 -0.148 0.000 1.026 385 I CA -1.094 60.032 61.300 -0.290 0.000 1.077 385 I CB 1.905 39.576 38.000 -0.549 0.000 1.262 385 I HN 0.290 nan 8.210 nan 0.000 0.461 386 V N 3.660 123.456 119.914 -0.196 0.000 2.715 386 V HA 0.600 4.720 4.120 -0.001 0.000 0.310 386 V C -0.363 175.695 176.094 -0.060 0.000 1.054 386 V CA -0.689 61.540 62.300 -0.118 0.000 0.928 386 V CB 2.103 33.811 31.823 -0.192 0.000 1.007 386 V HN 0.601 nan 8.190 nan 0.000 0.437 387 V N 3.701 123.720 119.914 0.176 0.000 2.709 387 V HA 0.476 4.595 4.120 -0.001 0.000 0.308 387 V C -0.421 175.945 176.094 0.454 0.000 1.062 387 V CA -0.842 61.626 62.300 0.281 0.000 0.901 387 V CB 2.439 34.356 31.823 0.156 0.000 1.003 387 V HN 1.112 nan 8.190 nan 0.000 0.425 388 N N 4.163 123.121 118.700 0.431 0.000 2.366 388 N HA 0.222 4.961 4.740 -0.001 0.000 0.277 388 N C 0.838 176.483 175.510 0.226 0.000 1.275 388 N CA -0.428 52.750 53.050 0.214 0.000 0.964 388 N CB 0.347 38.808 38.487 -0.042 0.000 1.167 388 N HN 0.473 nan 8.380 nan 0.000 0.568 389 R N -1.481 119.121 120.500 0.169 0.000 2.249 389 R HA -0.148 4.192 4.340 -0.001 0.000 0.230 389 R C 1.713 178.051 176.300 0.063 0.000 1.121 389 R CA 1.850 58.041 56.100 0.152 0.000 0.997 389 R CB -0.409 29.947 30.300 0.093 0.000 0.867 389 R HN 0.862 nan 8.270 nan 0.000 0.465 390 E N -0.798 119.434 120.200 0.053 0.000 2.318 390 E HA 0.089 4.438 4.350 -0.001 0.000 0.193 390 E C 1.219 177.839 176.600 0.033 0.000 0.998 390 E CA 0.762 57.183 56.400 0.035 0.000 0.859 390 E CB 0.005 29.730 29.700 0.041 0.000 0.812 390 E HN 0.459 nan 8.360 nan 0.000 0.492 391 G N -0.314 108.518 108.800 0.053 0.000 2.175 391 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.182 391 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.182 391 G C 0.071 175.015 174.900 0.074 0.000 1.003 391 G CA 0.144 45.264 45.100 0.034 0.000 0.666 391 G HN 0.575 nan 8.290 nan 0.000 0.506 392 N N -0.808 117.972 118.700 0.134 0.000 2.381 392 N HA 0.648 5.387 4.740 -0.001 0.000 0.294 392 N C 0.433 176.099 175.510 0.260 0.000 1.216 392 N CA -1.042 52.116 53.050 0.180 0.000 0.803 392 N CB 1.235 39.839 38.487 0.194 0.000 1.372 392 N HN 0.157 nan 8.380 nan 0.000 0.500 393 R N 0.360 121.010 120.500 0.251 0.000 2.707 393 R HA 0.217 4.556 4.340 -0.001 0.000 0.270 393 R C -0.306 176.147 176.300 0.255 0.000 1.083 393 R CA 0.384 56.586 56.100 0.170 0.000 1.182 393 R CB 0.332 30.789 30.300 0.261 0.000 1.084 393 R HN 0.638 nan 8.270 nan 0.000 0.528 394 F N -2.099 117.645 119.950 -0.344 0.000 3.033 394 F HA 0.306 4.833 4.527 -0.000 0.000 0.332 394 F C -0.787 174.280 175.800 -1.221 0.000 1.266 394 F CA -0.828 56.790 58.000 -0.637 0.000 0.998 394 F CB 0.084 38.966 39.000 -0.197 0.000 1.438 394 F HN 0.376 nan 8.300 nan 0.000 0.501 395 M N -0.029 118.488 119.600 -1.805 0.000 2.853 395 M HA 0.442 4.921 4.480 -0.001 0.000 0.273 395 M C -1.938 174.007 176.300 -0.592 0.000 1.128 395 M CA -0.993 53.673 55.300 -1.057 0.000 0.814 395 M CB 1.335 33.566 32.600 -0.615 0.000 1.667 395 M HN -0.028 nan 8.290 nan 0.000 0.519 396 N N 1.117 119.687 118.700 -0.216 0.000 2.439 396 N HA 0.246 4.985 4.740 -0.001 0.000 0.243 396 N C -0.115 175.331 175.510 -0.107 0.000 1.088 396 N CA 0.125 53.152 53.050 -0.039 0.000 0.940 396 N CB 0.916 39.434 38.487 0.051 0.000 1.180 396 N HN 0.788 nan 8.380 nan 0.000 0.505 397 E N 2.361 122.484 120.200 -0.128 0.000 2.219 397 E HA -0.159 4.190 4.350 -0.001 0.000 0.198 397 E C 0.821 177.371 176.600 -0.083 0.000 0.998 397 E CA 1.420 57.736 56.400 -0.141 0.000 0.818 397 E CB -0.269 29.348 29.700 -0.140 0.000 0.741 397 E HN 0.872 nan 8.360 nan 0.000 0.477 398 I N -1.664 118.881 120.570 -0.041 0.000 3.864 398 I HA 0.193 4.362 4.170 -0.001 0.000 0.326 398 I C 0.791 176.886 176.117 -0.037 0.000 1.444 398 I CA -0.369 60.911 61.300 -0.034 0.000 1.195 398 I CB 0.047 38.041 38.000 -0.010 0.000 1.124 398 I HN -0.194 nan 8.210 nan 0.000 0.407 399 T N 1.445 115.970 114.554 -0.049 0.000 2.689 399 T HA 0.183 4.533 4.350 -0.001 0.000 0.308 399 T C 0.846 175.513 174.700 -0.055 0.000 1.021 399 T CA 0.266 62.342 62.100 -0.041 0.000 0.973 399 T CB 0.642 69.489 68.868 -0.034 0.000 1.113 399 T HN 0.596 nan 8.240 nan 0.000 0.522 400 T N 1.098 115.624 114.554 -0.046 0.000 2.932 400 T HA 0.169 4.518 4.350 -0.001 0.000 0.312 400 T C 1.528 176.184 174.700 -0.073 0.000 1.071 400 T CA -0.569 61.498 62.100 -0.056 0.000 1.128 400 T CB 0.477 69.321 68.868 -0.039 0.000 0.984 400 T HN 0.630 nan 8.240 nan 0.000 0.549 401 R N 2.431 122.870 120.500 -0.101 0.000 2.091 401 R HA -0.105 4.234 4.340 -0.001 0.000 0.238 401 R C 1.838 178.097 176.300 -0.068 0.000 1.136 401 R CA 1.834 57.856 56.100 -0.130 0.000 0.959 401 R CB -1.009 29.184 30.300 -0.178 0.000 0.856 401 R HN 0.893 nan 8.270 nan 0.000 0.437 402 D N 1.501 121.879 120.400 -0.038 0.000 2.097 402 D HA -0.161 4.479 4.640 -0.001 0.000 0.195 402 D C 1.550 177.852 176.300 0.004 0.000 0.989 402 D CA 1.259 55.257 54.000 -0.004 0.000 0.827 402 D CB -0.422 40.381 40.800 0.006 0.000 0.966 402 D HN 0.222 nan 8.370 nan 0.000 0.456 403 K N 0.575 120.972 120.400 -0.006 0.000 2.097 403 K HA 0.098 4.418 4.320 -0.001 0.000 0.205 403 K C 2.326 178.930 176.600 0.006 0.000 1.050 403 K CA 1.244 57.534 56.287 0.005 0.000 0.938 403 K CB -0.201 32.299 32.500 0.001 0.000 0.718 403 K HN 0.195 nan 8.250 nan 0.000 0.442 404 A N 1.105 123.914 122.820 -0.019 0.000 1.873 404 A HA -0.150 4.169 4.320 -0.001 0.000 0.215 404 A C 2.221 179.820 177.584 0.024 0.000 1.186 404 A CA 1.814 53.841 52.037 -0.018 0.000 0.616 404 A CB -0.621 18.340 19.000 -0.065 0.000 0.823 404 A HN 0.174 nan 8.150 nan 0.000 0.442 405 S N 0.046 115.756 115.700 0.015 0.000 2.353 405 S HA -0.111 4.358 4.470 -0.001 0.000 0.222 405 S C 2.360 177.002 174.600 0.071 0.000 1.035 405 S CA 1.371 59.601 58.200 0.050 0.000 1.025 405 S CB -0.625 62.613 63.200 0.063 0.000 0.902 405 S HN 0.826 nan 8.310 nan 0.000 0.440 406 A N 1.768 124.625 122.820 0.061 0.000 1.873 406 A HA -0.068 4.251 4.320 -0.001 0.000 0.218 406 A C 2.392 180.011 177.584 0.058 0.000 1.193 406 A CA 2.087 54.159 52.037 0.059 0.000 0.629 406 A CB -1.298 17.731 19.000 0.047 0.000 0.826 406 A HN 0.563 nan 8.150 nan 0.000 0.447 407 A N -0.566 122.303 122.820 0.081 0.000 1.972 407 A HA -0.050 4.269 4.320 -0.001 0.000 0.219 407 A C 2.088 179.715 177.584 0.072 0.000 1.169 407 A CA 1.568 53.676 52.037 0.118 0.000 0.635 407 A CB -0.598 18.538 19.000 0.227 0.000 0.810 407 A HN 0.522 nan 8.150 nan 0.000 0.446 408 I N -0.543 120.099 120.570 0.120 0.000 2.353 408 I HA -0.181 3.988 4.170 -0.001 0.000 0.248 408 I C 2.301 178.367 176.117 -0.084 0.000 1.119 408 I CA 0.661 61.963 61.300 0.004 0.000 1.417 408 I CB -0.194 37.857 38.000 0.085 0.000 1.078 408 I HN 0.272 nan 8.210 nan 0.000 0.421 409 L N 0.660 121.876 121.223 -0.012 0.000 2.083 409 L HA -0.241 4.099 4.340 -0.001 0.000 0.209 409 L C 2.744 179.594 176.870 -0.034 0.000 1.083 409 L CA 1.692 56.532 54.840 0.001 0.000 0.752 409 L CB -0.805 41.301 42.059 0.078 0.000 0.899 409 L HN 0.389 nan 8.230 nan 0.000 0.433 410 Q N 0.099 119.871 119.800 -0.046 0.000 2.344 410 Q HA 0.016 4.356 4.340 -0.001 0.000 0.212 410 Q C 0.435 176.353 176.000 -0.136 0.000 0.943 410 Q CA 0.479 56.245 55.803 -0.062 0.000 0.955 410 Q CB -0.539 28.181 28.738 -0.029 0.000 1.000 410 Q HN 0.426 nan 8.270 nan 0.000 0.488 411 Q N -0.304 119.374 119.800 -0.203 0.000 2.351 411 Q HA 0.420 4.760 4.340 -0.001 0.000 0.273 411 Q C -0.803 175.094 176.000 -0.172 0.000 1.077 411 Q CA -1.149 54.487 55.803 -0.277 0.000 0.843 411 Q CB 1.375 29.794 28.738 -0.532 0.000 1.367 411 Q HN 0.313 nan 8.270 nan 0.000 0.449 412 K N 0.745 121.055 120.400 -0.150 0.000 2.320 412 K HA 0.159 4.478 4.320 -0.001 0.000 0.269 412 K C 0.941 177.499 176.600 -0.071 0.000 1.182 412 K CA 1.176 57.414 56.287 -0.082 0.000 1.190 412 K CB -0.959 31.509 32.500 -0.054 0.000 0.850 412 K HN 0.926 nan 8.250 nan 0.000 0.467 413 G N 2.112 110.877 108.800 -0.058 0.000 2.159 413 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.256 413 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.256 413 G C 0.339 175.195 174.900 -0.074 0.000 0.977 413 G CA 0.210 45.279 45.100 -0.052 0.000 0.652 413 G HN 0.641 nan 8.290 nan 0.000 0.531 414 E N -1.669 118.476 120.200 -0.091 0.000 3.801 414 E HA -0.203 4.146 4.350 -0.001 0.000 0.319 414 E C 0.767 177.289 176.600 -0.130 0.000 0.784 414 E CA 1.700 58.040 56.400 -0.100 0.000 1.183 414 E CB -1.611 28.040 29.700 -0.082 0.000 1.601 414 E HN 1.716 nan 8.360 nan 0.000 0.441 415 S N -1.989 113.619 115.700 -0.153 0.000 2.732 415 S HA 0.968 5.438 4.470 -0.001 0.000 0.293 415 S C -0.287 174.184 174.600 -0.215 0.000 1.159 415 S CA -0.609 57.478 58.200 -0.187 0.000 0.847 415 S CB 2.542 65.610 63.200 -0.220 0.000 1.169 415 S HN 0.575 nan 8.310 nan 0.000 0.501 416 A N -0.290 122.376 122.820 -0.257 0.000 2.568 416 A HA 0.802 5.121 4.320 -0.001 0.000 0.291 416 A C -2.357 175.029 177.584 -0.330 0.000 1.159 416 A CA -0.831 51.119 52.037 -0.144 0.000 0.679 416 A CB 0.669 19.787 19.000 0.196 0.000 1.285 416 A HN 0.803 nan 8.150 nan 0.000 0.428 417 Y N -0.065 120.294 120.300 0.099 0.000 2.326 417 Y HA 0.510 5.059 4.550 -0.001 0.000 0.329 417 Y C -0.121 175.815 175.900 0.059 0.000 0.973 417 Y CA -0.332 57.802 58.100 0.058 0.000 1.162 417 Y CB 1.778 40.261 38.460 0.038 0.000 1.147 417 Y HN 0.554 nan 8.280 nan 0.000 0.456 418 L N 4.589 125.924 121.223 0.186 0.000 2.410 418 L HA 0.372 4.711 4.340 -0.001 0.000 0.273 418 L C -0.631 176.384 176.870 0.243 0.000 1.152 418 L CA -0.319 54.636 54.840 0.191 0.000 0.855 418 L CB 0.406 42.588 42.059 0.206 0.000 1.129 418 L HN 0.370 nan 8.230 nan 0.000 0.463 419 V N 5.010 125.048 119.914 0.207 0.000 2.525 419 V HA 0.523 4.642 4.120 -0.001 0.000 0.299 419 V C -0.438 175.783 176.094 0.212 0.000 1.034 419 V CA -0.515 61.852 62.300 0.112 0.000 0.863 419 V CB 1.386 33.233 31.823 0.040 0.000 0.999 419 V HN 0.605 nan 8.190 nan 0.000 0.423 420 F N 1.485 121.536 119.950 0.167 0.000 2.824 420 F HA 0.873 5.399 4.527 -0.001 0.000 0.330 420 F C -0.616 175.358 175.800 0.289 0.000 1.175 420 F CA -1.188 56.914 58.000 0.171 0.000 0.974 420 F CB 1.072 40.136 39.000 0.107 0.000 1.430 420 F HN 0.342 nan 8.300 nan 0.000 0.507 421 D N -0.432 120.226 120.400 0.430 0.000 2.569 421 D HA 0.221 4.861 4.640 -0.001 0.000 0.266 421 D C 0.001 176.488 176.300 0.311 0.000 1.164 421 D CA -0.179 53.964 54.000 0.238 0.000 1.071 421 D CB 1.634 42.541 40.800 0.179 0.000 1.183 421 D HN 0.705 nan 8.370 nan 0.000 0.613 422 D N -1.386 119.074 120.400 0.099 0.000 2.289 422 D HA -0.036 4.604 4.640 -0.001 0.000 0.207 422 D C 1.632 177.989 176.300 0.095 0.000 0.966 422 D CA 0.690 54.807 54.000 0.195 0.000 0.868 422 D CB 0.309 41.142 40.800 0.055 0.000 0.943 422 D HN 0.108 nan 8.370 nan 0.000 0.514 423 S N -0.694 115.041 115.700 0.059 0.000 2.387 423 S HA -0.044 4.425 4.470 -0.001 0.000 0.226 423 S C 1.800 176.439 174.600 0.064 0.000 1.026 423 S CA 0.531 58.759 58.200 0.047 0.000 0.972 423 S CB -0.083 63.140 63.200 0.039 0.000 0.814 423 S HN 0.219 nan 8.310 nan 0.000 0.477 424 I N 1.576 122.220 120.570 0.123 0.000 2.286 424 I HA -0.028 4.142 4.170 -0.001 0.000 0.245 424 I C 2.547 178.660 176.117 -0.007 0.000 1.104 424 I CA 1.014 62.362 61.300 0.080 0.000 1.397 424 I CB -1.520 36.568 38.000 0.146 0.000 1.072 424 I HN 0.320 nan 8.210 nan 0.000 0.417 425 R N 2.109 122.644 120.500 0.059 0.000 2.103 425 R HA -0.170 4.169 4.340 -0.001 0.000 0.234 425 R C 1.217 177.466 176.300 -0.084 0.000 1.132 425 R CA 1.948 58.006 56.100 -0.070 0.000 0.925 425 R CB -0.489 29.731 30.300 -0.134 0.000 0.842 425 R HN 0.352 nan 8.270 nan 0.000 0.430 426 K N 0.890 121.269 120.400 -0.036 0.000 2.451 426 K HA 0.035 4.355 4.320 -0.001 0.000 0.280 426 K C 0.707 177.282 176.600 -0.043 0.000 1.020 426 K CA 0.746 57.010 56.287 -0.038 0.000 1.008 426 K CB -0.065 32.427 32.500 -0.013 0.000 0.917 426 K HN 0.652 nan 8.250 nan 0.000 0.478 427 S N -0.239 115.430 115.700 -0.053 0.000 1.432 427 S HA -0.154 4.316 4.470 -0.001 0.000 0.249 427 S C -0.028 174.527 174.600 -0.075 0.000 0.776 427 S CA 0.614 58.783 58.200 -0.052 0.000 1.145 427 S CB -1.785 61.393 63.200 -0.037 0.000 1.297 427 S HN 1.911 nan 8.310 nan 0.000 0.502 428 L N 2.089 123.249 121.223 -0.105 0.000 2.492 428 L HA 0.876 5.215 4.340 -0.001 0.000 0.258 428 L C 0.950 177.724 176.870 -0.161 0.000 1.028 428 L CA 0.759 55.522 54.840 -0.127 0.000 0.900 428 L CB 0.752 42.728 42.059 -0.139 0.000 1.191 428 L HN 0.425 nan 8.230 nan 0.000 0.459 429 K N 2.925 123.239 120.400 -0.144 0.000 2.286 429 K HA -0.057 4.263 4.320 -0.001 0.000 0.203 429 K C 1.702 178.159 176.600 -0.239 0.000 1.045 429 K CA 1.618 57.804 56.287 -0.168 0.000 0.935 429 K CB -0.993 31.430 32.500 -0.128 0.000 0.737 429 K HN 0.884 nan 8.250 nan 0.000 0.460 430 A N 1.171 123.835 122.820 -0.260 0.000 1.978 430 A HA -0.076 4.243 4.320 -0.001 0.000 0.220 430 A C 2.360 179.524 177.584 -0.700 0.000 1.170 430 A CA 1.573 53.362 52.037 -0.413 0.000 0.636 430 A CB -0.476 18.334 19.000 -0.316 0.000 0.810 430 A HN 0.582 nan 8.150 nan 0.000 0.448 431 I N 0.029 120.311 120.570 -0.481 0.000 2.315 431 I HA -0.283 3.886 4.170 -0.001 0.000 0.251 431 I C 2.230 178.122 176.117 -0.376 0.000 1.125 431 I CA 1.321 62.394 61.300 -0.379 0.000 1.392 431 I CB -0.436 37.411 38.000 -0.256 0.000 1.065 431 I HN 0.294 nan 8.210 nan 0.000 0.424 432 E N 1.057 121.024 120.200 -0.388 0.000 2.118 432 E HA -0.174 4.175 4.350 -0.001 0.000 0.195 432 E C 2.331 178.562 176.600 -0.615 0.000 0.992 432 E CA 1.432 57.542 56.400 -0.483 0.000 0.804 432 E CB -0.824 28.622 29.700 -0.423 0.000 0.741 432 E HN 0.583 nan 8.360 nan 0.000 0.458 433 G N 0.783 109.293 108.800 -0.483 0.000 2.446 433 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.217 433 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.217 433 G C 1.294 176.124 174.900 -0.116 0.000 1.168 433 G CA 1.045 45.975 45.100 -0.283 0.000 0.771 433 G HN 0.227 nan 8.290 nan 0.000 0.551 434 Y N 0.747 121.019 120.300 -0.047 0.000 2.181 434 Y HA -0.060 4.490 4.550 -0.001 0.000 0.288 434 Y C 3.015 178.927 175.900 0.020 0.000 1.146 434 Y CA 0.205 58.303 58.100 -0.005 0.000 1.164 434 Y CB -1.220 37.229 38.460 -0.019 0.000 0.982 434 Y HN 0.047 nan 8.280 nan 0.000 0.515 435 V N -0.213 119.746 119.914 0.075 0.000 2.295 435 V HA -0.307 3.812 4.120 -0.001 0.000 0.246 435 V C 2.307 178.488 176.094 0.145 0.000 1.049 435 V CA 2.242 64.582 62.300 0.066 0.000 1.024 435 V CB -0.734 31.059 31.823 -0.050 0.000 0.648 435 V HN 0.407 nan 8.190 nan 0.000 0.447 436 H N -0.056 119.043 119.070 0.048 0.000 2.422 436 H HA -0.046 4.509 4.556 -0.001 0.000 0.298 436 H C 1.979 177.354 175.328 0.079 0.000 1.098 436 H CA 1.237 57.311 56.048 0.043 0.000 1.315 436 H CB -0.425 29.348 29.762 0.018 0.000 1.382 436 H HN 0.358 nan 8.280 nan 0.000 0.523 437 L N -0.198 121.169 121.223 0.240 0.000 2.599 437 L HA 0.014 4.354 4.340 -0.001 0.000 0.230 437 L C 0.683 177.647 176.870 0.157 0.000 1.141 437 L CA 0.118 55.088 54.840 0.217 0.000 0.877 437 L CB -0.116 42.083 42.059 0.234 0.000 1.009 437 L HN 0.184 nan 8.230 nan 0.000 0.447 438 N N 0.539 119.324 118.700 0.141 0.000 2.776 438 N HA -0.206 4.534 4.740 -0.001 0.000 0.250 438 N C 0.566 176.128 175.510 0.086 0.000 1.112 438 N CA 1.134 54.247 53.050 0.104 0.000 0.733 438 N CB -1.081 37.456 38.487 0.083 0.000 1.097 438 N HN 0.595 nan 8.380 nan 0.000 0.558 439 I N -4.036 116.591 120.570 0.096 0.000 4.018 439 I HA 0.277 4.446 4.170 -0.001 0.000 0.337 439 I C 0.205 176.372 176.117 0.082 0.000 1.327 439 I CA -0.243 61.094 61.300 0.062 0.000 1.100 439 I CB 0.589 38.602 38.000 0.022 0.000 1.025 439 I HN -0.166 nan 8.210 nan 0.000 0.396 440 V N 3.436 123.424 119.914 0.123 0.000 2.370 440 V HA 0.378 4.497 4.120 -0.001 0.000 0.279 440 V C 0.050 176.227 176.094 0.139 0.000 1.029 440 V CA -0.621 61.774 62.300 0.158 0.000 0.870 440 V CB 1.136 33.088 31.823 0.216 0.000 0.984 440 V HN 0.129 nan 8.190 nan 0.000 0.451 441 K N 3.662 124.128 120.400 0.109 0.000 2.144 441 K HA 0.522 4.841 4.320 -0.001 0.000 0.270 441 K C -0.245 176.379 176.600 0.040 0.000 1.005 441 K CA -0.326 55.996 56.287 0.059 0.000 0.932 441 K CB 1.489 34.004 32.500 0.024 0.000 1.021 441 K HN 0.756 nan 8.250 nan 0.000 0.462 442 E N 0.007 120.199 120.200 -0.015 0.000 2.234 442 E HA 0.562 4.912 4.350 -0.001 0.000 0.266 442 E C -0.955 175.556 176.600 -0.148 0.000 0.877 442 E CA -0.665 55.658 56.400 -0.129 0.000 0.758 442 E CB 1.623 31.291 29.700 -0.053 0.000 1.170 442 E HN 0.689 nan 8.360 nan 0.000 0.415 443 G N 1.526 110.203 108.800 -0.205 0.000 2.617 443 G HA2 0.465 4.424 3.960 -0.001 0.000 0.306 443 G HA3 0.465 4.424 3.960 -0.001 0.000 0.306 443 G C 0.280 175.141 174.900 -0.064 0.000 1.360 443 G CA -0.104 44.931 45.100 -0.109 0.000 0.983 443 G HN 0.545 nan 8.290 nan 0.000 0.496 444 K N -0.102 120.280 120.400 -0.030 0.000 2.217 444 K HA 0.304 4.623 4.320 -0.001 0.000 0.202 444 K C 1.355 178.036 176.600 0.135 0.000 1.051 444 K CA 1.796 58.088 56.287 0.009 0.000 0.952 444 K CB -0.530 31.966 32.500 -0.008 0.000 0.736 444 K HN 1.223 nan 8.250 nan 0.000 0.453 445 T N -4.715 109.901 114.554 0.104 0.000 2.865 445 T HA 0.567 4.916 4.350 -0.001 0.000 0.294 445 T C 0.909 175.496 174.700 -0.190 0.000 1.119 445 T CA -0.431 61.686 62.100 0.028 0.000 1.007 445 T CB 1.368 70.207 68.868 -0.048 0.000 1.225 445 T HN -0.059 nan 8.240 nan 0.000 0.515 446 I N 1.372 121.632 120.570 -0.516 0.000 2.286 446 I HA -0.000 4.169 4.170 -0.001 0.000 0.248 446 I C 3.224 179.186 176.117 -0.257 0.000 1.115 446 I CA 2.288 63.294 61.300 -0.490 0.000 1.392 446 I CB -0.565 37.075 38.000 -0.600 0.000 1.065 446 I HN 1.010 nan 8.210 nan 0.000 0.418 447 E N 0.785 120.868 120.200 -0.195 0.000 2.085 447 E HA -0.294 4.055 4.350 -0.001 0.000 0.194 447 E C 2.132 178.666 176.600 -0.111 0.000 0.994 447 E CA 1.879 58.201 56.400 -0.131 0.000 0.801 447 E CB -1.342 28.299 29.700 -0.098 0.000 0.743 447 E HN 0.681 nan 8.360 nan 0.000 0.453 448 E N 0.790 120.928 120.200 -0.102 0.000 2.047 448 E HA 0.017 4.367 4.350 -0.001 0.000 0.191 448 E C 2.174 178.716 176.600 -0.097 0.000 0.987 448 E CA 1.084 57.435 56.400 -0.081 0.000 0.799 448 E CB -0.656 29.008 29.700 -0.060 0.000 0.752 448 E HN 0.432 nan 8.360 nan 0.000 0.449 449 L N 0.246 121.398 121.223 -0.119 0.000 2.042 449 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 449 L C 2.869 179.651 176.870 -0.146 0.000 1.076 449 L CA 2.356 57.117 54.840 -0.131 0.000 0.749 449 L CB -1.214 40.758 42.059 -0.146 0.000 0.893 449 L HN 0.456 nan 8.230 nan 0.000 0.432 450 A N 0.239 122.968 122.820 -0.153 0.000 1.892 450 A HA -0.321 3.998 4.320 -0.001 0.000 0.218 450 A C 2.593 180.094 177.584 -0.138 0.000 1.188 450 A CA 3.133 55.076 52.037 -0.157 0.000 0.631 450 A CB -0.955 17.964 19.000 -0.134 0.000 0.822 450 A HN 0.490 nan 8.150 nan 0.000 0.447 451 K N -1.035 119.302 120.400 -0.105 0.000 2.103 451 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 451 K C 1.978 178.531 176.600 -0.079 0.000 1.048 451 K CA 1.904 58.141 56.287 -0.082 0.000 0.930 451 K CB -0.731 31.730 32.500 -0.064 0.000 0.716 451 K HN 0.652 nan 8.250 nan 0.000 0.444 452 Q N -0.467 119.283 119.800 -0.083 0.000 2.079 452 Q HA 0.084 4.423 4.340 -0.001 0.000 0.200 452 Q C 2.184 178.139 176.000 -0.075 0.000 0.974 452 Q CA 1.230 56.994 55.803 -0.065 0.000 0.840 452 Q CB -0.097 28.607 28.738 -0.057 0.000 0.898 452 Q HN 0.662 nan 8.270 nan 0.000 0.430 453 I N 0.919 121.402 120.570 -0.145 0.000 2.617 453 I HA -0.183 3.986 4.170 -0.001 0.000 0.256 453 I C -0.528 175.426 176.117 -0.272 0.000 1.167 453 I CA 0.638 61.774 61.300 -0.274 0.000 1.469 453 I CB 0.115 37.845 38.000 -0.451 0.000 1.098 453 I HN 0.222 nan 8.210 nan 0.000 0.436 454 D N 0.974 121.268 120.400 -0.177 0.000 2.809 454 D HA -0.117 4.523 4.640 -0.001 0.000 0.234 454 D C -0.256 175.960 176.300 -0.139 0.000 1.111 454 D CA 0.817 54.747 54.000 -0.116 0.000 0.726 454 D CB -2.054 38.716 40.800 -0.049 0.000 1.089 454 D HN 0.291 nan 8.370 nan 0.000 0.436 455 V N -3.721 116.079 119.914 -0.189 0.000 2.815 455 V HA 0.880 4.999 4.120 -0.001 0.000 0.314 455 V C -2.571 173.458 176.094 -0.109 0.000 1.064 455 V CA -2.127 60.081 62.300 -0.152 0.000 0.952 455 V CB 2.440 34.149 31.823 -0.189 0.000 1.020 455 V HN -0.182 nan 8.190 nan 0.000 0.439 456 P HA 0.339 nan 4.420 nan 0.000 0.276 456 P C 0.634 177.893 177.300 -0.067 0.000 1.243 456 P CA 0.221 63.286 63.100 -0.059 0.000 0.768 456 P CB 1.382 33.060 31.700 -0.036 0.000 0.856 457 A N 4.688 127.465 122.820 -0.072 0.000 1.865 457 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 457 A C 2.154 179.693 177.584 -0.074 0.000 1.191 457 A CA 2.324 54.312 52.037 -0.083 0.000 0.623 457 A CB -1.551 17.402 19.000 -0.078 0.000 0.826 457 A HN 0.528 nan 8.150 nan 0.000 0.444 458 A N -0.788 121.999 122.820 -0.055 0.000 1.858 458 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 458 A C 1.971 179.530 177.584 -0.041 0.000 1.190 458 A CA 1.890 53.899 52.037 -0.047 0.000 0.617 458 A CB -0.562 18.418 19.000 -0.034 0.000 0.827 458 A HN 0.422 nan 8.150 nan 0.000 0.443 459 E N -0.128 120.054 120.200 -0.030 0.000 2.058 459 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 459 E C 2.019 178.607 176.600 -0.020 0.000 0.997 459 E CA 1.012 57.404 56.400 -0.014 0.000 0.801 459 E CB -0.581 29.118 29.700 -0.001 0.000 0.746 459 E HN 0.610 nan 8.360 nan 0.000 0.450 460 L N 0.023 121.219 121.223 -0.044 0.000 2.056 460 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 460 L C 2.159 178.984 176.870 -0.076 0.000 1.078 460 L CA 1.535 56.341 54.840 -0.057 0.000 0.749 460 L CB -0.387 41.617 42.059 -0.092 0.000 0.901 460 L HN 0.078 nan 8.230 nan 0.000 0.433 461 A N 0.484 123.246 122.820 -0.096 0.000 1.877 461 A HA -0.231 4.088 4.320 -0.001 0.000 0.216 461 A C 2.211 179.748 177.584 -0.078 0.000 1.186 461 A CA 1.830 53.798 52.037 -0.114 0.000 0.620 461 A CB -0.408 18.521 19.000 -0.118 0.000 0.822 461 A HN 0.459 nan 8.150 nan 0.000 0.443 462 K N -0.740 119.628 120.400 -0.054 0.000 2.032 462 K HA -0.136 4.183 4.320 -0.001 0.000 0.209 462 K C 2.114 178.695 176.600 -0.031 0.000 1.048 462 K CA 1.784 58.047 56.287 -0.040 0.000 0.927 462 K CB -0.947 31.540 32.500 -0.022 0.000 0.712 462 K HN 0.460 nan 8.250 nan 0.000 0.441 463 T N 1.963 116.514 114.554 -0.006 0.000 2.570 463 T HA -0.153 4.197 4.350 -0.001 0.000 0.266 463 T C 2.204 176.913 174.700 0.016 0.000 1.071 463 T CA 1.964 64.081 62.100 0.029 0.000 1.172 463 T CB -0.433 68.467 68.868 0.053 0.000 0.864 463 T HN -0.017 nan 8.240 nan 0.000 0.421 464 V N 2.013 121.921 119.914 -0.010 0.000 2.332 464 V HA -0.215 3.905 4.120 -0.001 0.000 0.248 464 V C 2.837 178.932 176.094 0.000 0.000 1.055 464 V CA 2.295 64.601 62.300 0.009 0.000 1.038 464 V CB -1.558 30.233 31.823 -0.053 0.000 0.651 464 V HN 0.686 nan 8.190 nan 0.000 0.450 465 T N 0.102 114.624 114.554 -0.054 0.000 2.821 465 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 465 T C 2.046 176.658 174.700 -0.147 0.000 1.046 465 T CA 1.380 63.436 62.100 -0.074 0.000 1.139 465 T CB -0.539 68.287 68.868 -0.070 0.000 0.871 465 T HN 0.529 nan 8.240 nan 0.000 0.454 466 A N 0.980 123.684 122.820 -0.194 0.000 1.877 466 A HA -0.074 4.246 4.320 -0.001 0.000 0.216 466 A C 2.142 179.279 177.584 -0.745 0.000 1.186 466 A CA 1.603 53.368 52.037 -0.453 0.000 0.620 466 A CB -1.304 17.472 19.000 -0.372 0.000 0.822 466 A HN 0.572 nan 8.150 nan 0.000 0.443 467 Y N 1.285 121.314 120.300 -0.451 0.000 2.193 467 Y HA -0.324 4.225 4.550 -0.001 0.000 0.285 467 Y C 2.159 177.944 175.900 -0.191 0.000 1.166 467 Y CA 2.272 60.214 58.100 -0.264 0.000 1.181 467 Y CB -0.471 37.987 38.460 -0.003 0.000 0.976 467 Y HN 0.424 nan 8.280 nan 0.000 0.520 468 N N -0.041 118.575 118.700 -0.139 0.000 2.094 468 N HA -0.180 4.560 4.740 -0.001 0.000 0.191 468 N C 2.043 177.435 175.510 -0.198 0.000 1.023 468 N CA 1.767 54.740 53.050 -0.128 0.000 0.857 468 N CB -0.904 37.561 38.487 -0.036 0.000 1.013 468 N HN 0.538 nan 8.380 nan 0.000 0.426 469 G N 0.206 108.841 108.800 -0.274 0.000 2.480 469 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 469 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 469 G C 1.002 175.838 174.900 -0.106 0.000 1.200 469 G CA 0.859 45.838 45.100 -0.202 0.000 0.782 469 G HN 0.195 nan 8.290 nan 0.000 0.554 470 F N 1.399 121.245 119.950 -0.173 0.000 2.115 470 F HA -0.069 4.458 4.527 -0.001 0.000 0.300 470 F C 2.135 177.776 175.800 -0.265 0.000 1.092 470 F CA -0.524 57.342 58.000 -0.223 0.000 1.245 470 F CB -1.655 37.195 39.000 -0.250 0.000 0.995 470 F HN -0.106 nan 8.300 nan 0.000 0.481 474 G N 2.337 111.136 108.800 -0.001 0.000 2.465 474 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.324 474 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.324 474 G C -0.018 174.876 174.900 -0.010 0.000 0.847 474 G CA 1.408 46.505 45.100 -0.004 0.000 0.858 474 G HN 0.446 nan 8.290 nan 0.000 0.505 475 K N -0.046 120.351 120.400 -0.006 0.000 2.615 475 K HA 0.157 4.477 4.320 -0.001 0.000 0.249 475 K C -1.702 174.815 176.600 -0.138 0.000 0.977 475 K CA -0.742 55.512 56.287 -0.054 0.000 0.833 475 K CB 1.420 33.888 32.500 -0.053 0.000 1.208 475 K HN 0.044 nan 8.250 nan 0.000 0.443 476 D N 3.176 123.442 120.400 -0.224 0.000 2.563 476 D HA 0.175 4.815 4.640 -0.001 0.000 0.222 476 D C 0.178 176.054 176.300 -0.708 0.000 1.145 476 D CA -0.237 53.479 54.000 -0.473 0.000 1.001 476 D CB 0.461 41.198 40.800 -0.105 0.000 1.049 476 D HN 0.504 nan 8.370 nan 0.000 0.515 477 A N 3.213 125.374 122.820 -1.098 0.000 2.478 477 A HA 0.046 4.365 4.320 -0.001 0.000 0.239 477 A C 1.265 178.433 177.584 -0.693 0.000 1.480 477 A CA 0.288 51.900 52.037 -0.708 0.000 1.308 477 A CB -0.242 18.474 19.000 -0.473 0.000 0.899 477 A HN 0.650 nan 8.150 nan 0.000 0.600 478 Q N -2.009 117.380 119.800 -0.685 0.000 2.536 478 Q HA 0.285 4.624 4.340 -0.001 0.000 0.212 478 Q C -0.110 175.221 176.000 -1.115 0.000 0.743 478 Q CA 0.483 55.845 55.803 -0.735 0.000 0.929 478 Q CB 0.684 29.178 28.738 -0.407 0.000 1.313 478 Q HN 0.698 nan 8.270 nan 0.000 0.524 479 F N -0.557 119.337 119.950 -0.094 0.000 2.960 479 F HA 0.227 4.753 4.527 -0.001 0.000 0.345 479 F C 0.676 176.447 175.800 -0.048 0.000 1.147 479 F CA 0.703 58.677 58.000 -0.042 0.000 1.099 479 F CB 1.378 40.373 39.000 -0.009 0.000 1.219 479 F HN 0.094 nan 8.300 nan 0.000 0.525 480 E N 1.356 121.563 120.200 0.011 0.000 3.673 480 E HA -0.314 4.036 4.350 -0.001 0.000 0.309 480 E C 0.726 177.350 176.600 0.040 0.000 0.819 480 E CA 0.980 57.382 56.400 0.004 0.000 1.111 480 E CB -2.387 27.324 29.700 0.019 0.000 1.561 480 E HN 0.458 nan 8.360 nan 0.000 0.450 481 R N 0.623 121.177 120.500 0.089 0.000 2.485 481 R HA 0.064 4.403 4.340 -0.001 0.000 0.304 481 R C -1.036 175.298 176.300 0.057 0.000 0.934 481 R CA -0.220 55.935 56.100 0.091 0.000 1.102 481 R CB 0.533 30.933 30.300 0.165 0.000 0.906 481 R HN 0.327 nan 8.270 nan 0.000 0.407 482 P HA -0.031 nan 4.420 nan 0.000 0.222 482 P C -0.251 177.067 177.300 0.029 0.000 1.153 482 P CA 0.845 63.959 63.100 0.025 0.000 0.798 482 P CB 0.256 31.966 31.700 0.017 0.000 0.796 483 D N -0.091 120.335 120.400 0.044 0.000 2.391 483 D HA 0.423 5.062 4.640 -0.001 0.000 0.245 483 D C -0.989 175.357 176.300 0.077 0.000 1.069 483 D CA -0.603 53.424 54.000 0.046 0.000 0.831 483 D CB 0.845 41.668 40.800 0.038 0.000 1.204 483 D HN -0.195 nan 8.370 nan 0.000 0.503 484 L N 6.100 127.362 121.223 0.066 0.000 2.457 484 L HA 0.357 4.696 4.340 -0.001 0.000 0.252 484 L C -1.605 175.310 176.870 0.075 0.000 1.132 484 L CA -1.089 53.805 54.840 0.091 0.000 0.938 484 L CB 1.795 43.860 42.059 0.011 0.000 1.246 484 L HN 0.288 nan 8.230 nan 0.000 0.476 485 P HA 0.008 nan 4.420 nan 0.000 0.216 485 P C 0.028 177.371 177.300 0.071 0.000 1.153 485 P CA 1.022 64.163 63.100 0.068 0.000 0.844 485 P CB 0.321 32.058 31.700 0.062 0.000 0.787 486 R N -1.485 119.080 120.500 0.108 0.000 2.725 486 R HA 0.253 4.592 4.340 -0.001 0.000 0.277 486 R C 0.598 176.994 176.300 0.159 0.000 0.987 486 R CA -0.583 55.582 56.100 0.109 0.000 0.901 486 R CB 1.542 31.904 30.300 0.102 0.000 1.207 486 R HN -0.128 nan 8.270 nan 0.000 0.463 487 E N 1.288 121.563 120.200 0.125 0.000 2.208 487 E HA 0.026 4.376 4.350 -0.001 0.000 0.193 487 E C -0.153 176.568 176.600 0.201 0.000 0.988 487 E CA 0.547 57.030 56.400 0.138 0.000 0.828 487 E CB 0.213 29.962 29.700 0.081 0.000 0.763 487 E HN 0.409 nan 8.360 nan 0.000 0.478 488 L N 0.295 121.642 121.223 0.207 0.000 3.303 488 L HA -0.174 4.165 4.340 -0.001 0.000 0.563 488 L C 0.048 177.116 176.870 0.329 0.000 1.328 488 L CA -0.264 54.738 54.840 0.270 0.000 0.964 488 L CB -0.732 41.503 42.059 0.293 0.000 1.739 488 L HN 0.143 nan 8.230 nan 0.000 0.837 489 V N -0.253 119.808 119.914 0.245 0.000 3.432 489 V HA 0.223 4.342 4.120 -0.001 0.000 0.290 489 V C 0.295 176.449 176.094 0.102 0.000 1.591 489 V CA 0.434 62.892 62.300 0.264 0.000 1.069 489 V CB 1.525 33.441 31.823 0.155 0.000 0.892 489 V HN 0.082 nan 8.190 nan 0.000 0.436 490 V N 2.863 122.710 119.914 -0.112 0.000 2.318 490 V HA 0.745 4.864 4.120 -0.001 0.000 0.271 490 V C 0.816 176.567 176.094 -0.572 0.000 1.030 490 V CA -0.037 62.131 62.300 -0.220 0.000 0.844 490 V CB 0.805 32.563 31.823 -0.107 0.000 1.015 490 V HN 0.440 nan 8.190 nan 0.000 0.460 491 A N 8.584 131.024 122.820 -0.632 0.000 2.406 491 A HA 0.606 4.926 4.320 -0.001 0.000 0.243 491 A C -1.766 175.598 177.584 -0.367 0.000 1.082 491 A CA -0.873 50.728 52.037 -0.727 0.000 0.786 491 A CB -0.205 18.657 19.000 -0.231 0.000 1.029 491 A HN 0.669 nan 8.150 nan 0.000 0.495 492 P HA 0.290 nan 4.420 nan 0.000 0.272 492 P C -1.015 175.827 177.300 -0.762 0.000 1.230 492 P CA 0.225 63.060 63.100 -0.441 0.000 0.788 492 P CB 0.268 31.735 31.700 -0.388 0.000 0.949 493 F N 0.348 119.973 119.950 -0.541 0.000 2.443 493 F HA 0.439 4.965 4.527 -0.001 0.000 0.335 493 F C 0.309 175.648 175.800 -0.768 0.000 1.104 493 F CA -0.229 57.478 58.000 -0.489 0.000 1.013 493 F CB 1.166 40.011 39.000 -0.258 0.000 1.136 493 F HN 0.216 nan 8.300 nan 0.000 0.470 494 Y N 1.003 121.124 120.300 -0.298 0.000 2.562 494 Y HA 0.823 5.372 4.550 -0.001 0.000 0.343 494 Y C -0.130 175.419 175.900 -0.584 0.000 1.025 494 Y CA -1.341 56.434 58.100 -0.542 0.000 1.082 494 Y CB 1.993 39.823 38.460 -1.051 0.000 1.264 494 Y HN 0.671 nan 8.280 nan 0.000 0.478 495 A N 1.553 124.280 122.820 -0.155 0.000 2.594 495 A HA 0.913 5.233 4.320 -0.001 0.000 0.295 495 A C -2.385 175.271 177.584 0.120 0.000 1.071 495 A CA -0.740 51.288 52.037 -0.015 0.000 0.685 495 A CB 1.337 20.334 19.000 -0.005 0.000 1.285 495 A HN 0.556 nan 8.150 nan 0.000 0.405 496 L N 0.270 121.615 121.223 0.204 0.000 2.526 496 L HA 0.522 4.862 4.340 -0.001 0.000 0.263 496 L C -0.248 176.698 176.870 0.128 0.000 0.943 496 L CA -0.367 54.569 54.840 0.160 0.000 0.859 496 L CB 1.812 43.923 42.059 0.087 0.000 1.313 496 L HN 0.891 nan 8.230 nan 0.000 0.406 497 E N 3.376 123.595 120.200 0.033 0.000 2.338 497 E HA 0.584 4.934 4.350 -0.001 0.000 0.272 497 E C -0.968 175.496 176.600 -0.227 0.000 1.029 497 E CA -0.435 55.769 56.400 -0.326 0.000 0.872 497 E CB 0.980 30.424 29.700 -0.425 0.000 1.015 497 E HN 0.529 nan 8.360 nan 0.000 0.417 498 I N 1.121 121.553 120.570 -0.230 0.000 3.042 498 I HA 0.885 5.054 4.170 -0.001 0.000 0.310 498 I C -0.914 175.132 176.117 -0.118 0.000 1.117 498 I CA -1.113 60.097 61.300 -0.149 0.000 1.003 498 I CB 1.935 39.878 38.000 -0.095 0.000 1.228 498 I HN 0.597 nan 8.210 nan 0.000 0.443 499 A N 1.989 124.781 122.820 -0.047 0.000 2.610 499 A HA 0.938 5.258 4.320 -0.001 0.000 0.291 499 A C -3.151 174.425 177.584 -0.013 0.000 1.086 499 A CA -1.535 50.467 52.037 -0.058 0.000 0.677 499 A CB 1.289 20.219 19.000 -0.118 0.000 1.278 499 A HN 0.550 nan 8.150 nan 0.000 0.414 500 P HA 0.503 nan 4.420 nan 0.000 0.275 500 P C -0.643 176.576 177.300 -0.136 0.000 1.227 500 P CA 0.176 63.257 63.100 -0.031 0.000 0.781 500 P CB 1.330 33.055 31.700 0.042 0.000 0.906 501 A N 2.825 125.631 122.820 -0.023 0.000 2.449 501 A HA 0.487 4.806 4.320 -0.001 0.000 0.302 501 A C -0.679 176.944 177.584 0.065 0.000 1.048 501 A CA -0.771 51.187 52.037 -0.133 0.000 0.708 501 A CB 1.006 19.641 19.000 -0.609 0.000 1.274 501 A HN 0.292 nan 8.150 nan 0.000 0.410 502 V N 2.461 122.438 119.914 0.105 0.000 2.584 502 V HA 0.008 4.128 4.120 -0.001 0.000 0.303 502 V C 1.102 177.264 176.094 0.112 0.000 1.035 502 V CA 1.654 64.011 62.300 0.096 0.000 1.172 502 V CB 0.064 31.910 31.823 0.038 0.000 0.896 502 V HN 1.177 nan 8.190 nan 0.000 0.486 503 H N 2.875 121.955 119.070 0.017 0.000 2.258 503 H HA 0.317 4.873 4.556 -0.001 0.000 0.250 503 H C 0.323 175.689 175.328 0.063 0.000 0.908 503 H CA 0.743 56.822 56.048 0.053 0.000 1.096 503 H CB 0.598 30.439 29.762 0.132 0.000 1.422 503 H HN 0.765 nan 8.280 nan 0.000 0.469 504 H N -0.597 118.399 119.070 -0.123 0.000 2.851 504 H HA 0.455 5.010 4.556 -0.001 0.000 0.372 504 H C -1.135 174.059 175.328 -0.224 0.000 1.158 504 H CA -0.262 55.649 56.048 -0.228 0.000 1.159 504 H CB 1.594 31.256 29.762 -0.168 0.000 1.757 504 H HN 0.249 nan 8.280 nan 0.000 0.546 505 T N 3.069 117.284 114.554 -0.565 0.000 2.947 505 T HA 0.189 4.538 4.350 -0.001 0.000 0.337 505 T C 1.003 175.540 174.700 -0.272 0.000 1.139 505 T CA -0.793 60.998 62.100 -0.515 0.000 0.992 505 T CB 0.463 68.703 68.868 -1.046 0.000 1.043 505 T HN 0.532 nan 8.240 nan 0.000 0.498 506 M N 2.753 122.370 119.600 0.030 0.000 2.267 506 M HA 0.140 4.620 4.480 -0.001 0.000 0.263 506 M C 1.658 178.044 176.300 0.144 0.000 1.063 506 M CA 1.207 56.627 55.300 0.199 0.000 1.090 506 M CB -0.522 32.207 32.600 0.215 0.000 1.392 506 M HN 0.856 nan 8.290 nan 0.000 0.422 507 G N -1.390 107.461 108.800 0.086 0.000 2.563 507 G HA2 0.565 4.524 3.960 -0.001 0.000 0.283 507 G HA3 0.565 4.524 3.960 -0.001 0.000 0.283 507 G C 0.045 174.992 174.900 0.078 0.000 1.309 507 G CA -0.148 45.004 45.100 0.087 0.000 1.022 507 G HN 0.616 nan 8.290 nan 0.000 0.501 508 G N -2.091 106.748 108.800 0.064 0.000 2.350 508 G HA2 0.232 4.192 3.960 -0.001 0.000 0.282 508 G HA3 0.232 4.192 3.960 -0.001 0.000 0.282 508 G C -0.513 174.399 174.900 0.020 0.000 1.314 508 G CA -0.825 44.308 45.100 0.054 0.000 0.915 508 G HN 0.735 nan 8.290 nan 0.000 0.499 509 L N 0.068 121.297 121.223 0.010 0.000 2.516 509 L HA 0.238 4.577 4.340 -0.001 0.000 0.288 509 L C 0.850 177.708 176.870 -0.021 0.000 1.246 509 L CA -0.184 54.652 54.840 -0.008 0.000 0.844 509 L CB 0.302 42.355 42.059 -0.010 0.000 1.106 509 L HN 0.334 nan 8.230 nan 0.000 0.509 510 V N 4.137 124.036 119.914 -0.025 0.000 2.465 510 V HA 0.377 4.497 4.120 -0.001 0.000 0.279 510 V C 0.205 176.272 176.094 -0.044 0.000 1.045 510 V CA -0.132 62.149 62.300 -0.032 0.000 0.938 510 V CB 1.302 33.112 31.823 -0.022 0.000 0.986 510 V HN 0.595 nan 8.190 nan 0.000 0.467 511 I N 1.497 122.032 120.570 -0.057 0.000 3.074 511 I HA 0.803 4.972 4.170 -0.001 0.000 0.310 511 I C -0.582 175.514 176.117 -0.035 0.000 1.153 511 I CA -0.994 60.276 61.300 -0.050 0.000 0.993 511 I CB 2.234 40.199 38.000 -0.058 0.000 1.237 511 I HN 0.568 nan 8.210 nan 0.000 0.443 512 D N 0.317 120.722 120.400 0.008 0.000 2.530 512 D HA 0.266 4.905 4.640 -0.001 0.000 0.282 512 D C 1.177 177.536 176.300 0.100 0.000 1.204 512 D CA 0.177 54.199 54.000 0.038 0.000 1.093 512 D CB -0.170 40.659 40.800 0.047 0.000 1.154 512 D HN 0.761 nan 8.370 nan 0.000 0.593 513 T N -3.347 111.286 114.554 0.133 0.000 3.035 513 T HA -0.048 4.302 4.350 -0.001 0.000 0.268 513 T C 1.291 176.114 174.700 0.206 0.000 1.109 513 T CA 0.750 62.975 62.100 0.208 0.000 1.119 513 T CB -0.258 68.675 68.868 0.109 0.000 0.900 513 T HN 0.282 nan 8.240 nan 0.000 0.503 514 K N 0.494 120.995 120.400 0.167 0.000 2.374 514 K HA 0.572 4.892 4.320 -0.001 0.000 0.196 514 K C 1.220 177.960 176.600 0.234 0.000 1.023 514 K CA 0.387 56.771 56.287 0.162 0.000 1.103 514 K CB 0.129 32.724 32.500 0.158 0.000 0.848 514 K HN 0.356 nan 8.250 nan 0.000 0.528 515 A N 0.965 123.936 122.820 0.251 0.000 3.080 515 A HA -0.219 4.101 4.320 -0.001 0.000 0.254 515 A C -0.127 177.590 177.584 0.222 0.000 1.277 515 A CA 0.846 53.034 52.037 0.252 0.000 1.065 515 A CB -1.817 17.358 19.000 0.292 0.000 1.160 515 A HN 0.459 nan 8.150 nan 0.000 0.886 516 E N -0.240 120.042 120.200 0.137 0.000 2.392 516 E HA 0.372 4.721 4.350 -0.001 0.000 0.264 516 E C -0.075 176.464 176.600 -0.102 0.000 1.024 516 E CA 0.168 56.517 56.400 -0.084 0.000 0.903 516 E CB 0.891 30.556 29.700 -0.058 0.000 0.963 516 E HN 0.370 nan 8.360 nan 0.000 0.432 517 V N 5.117 124.922 119.914 -0.181 0.000 2.407 517 V HA 0.143 4.263 4.120 -0.001 0.000 0.278 517 V C 0.041 176.073 176.094 -0.102 0.000 1.037 517 V CA -0.725 61.507 62.300 -0.114 0.000 0.900 517 V CB 1.156 32.914 31.823 -0.108 0.000 0.983 517 V HN 0.521 nan 8.190 nan 0.000 0.459 518 K N 3.113 123.475 120.400 -0.064 0.000 2.205 518 K HA 0.579 4.899 4.320 -0.001 0.000 0.279 518 K C 0.419 176.994 176.600 -0.043 0.000 1.027 518 K CA -0.104 56.154 56.287 -0.049 0.000 0.932 518 K CB 1.054 33.535 32.500 -0.032 0.000 1.032 518 K HN 0.801 nan 8.250 nan 0.000 0.466 519 S N 1.773 117.449 115.700 -0.039 0.000 2.576 519 S HA -0.027 4.442 4.470 -0.001 0.000 0.276 519 S C 1.207 175.793 174.600 -0.023 0.000 1.339 519 S CA -0.333 57.847 58.200 -0.032 0.000 1.039 519 S CB 0.488 63.671 63.200 -0.029 0.000 0.902 519 S HN 0.642 nan 8.310 nan 0.000 0.516 520 E N 2.122 122.310 120.200 -0.020 0.000 2.031 520 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 520 E C 2.210 178.803 176.600 -0.013 0.000 0.994 520 E CA 1.978 58.369 56.400 -0.015 0.000 0.800 520 E CB -0.490 29.201 29.700 -0.014 0.000 0.752 520 E HN 0.776 nan 8.360 nan 0.000 0.447 521 K N 0.492 120.884 120.400 -0.013 0.000 1.987 521 K HA -0.053 4.266 4.320 -0.001 0.000 0.222 521 K C 1.637 178.231 176.600 -0.010 0.000 1.029 521 K CA 1.837 58.117 56.287 -0.011 0.000 1.011 521 K CB -2.071 30.422 32.500 -0.011 0.000 0.769 521 K HN 0.485 nan 8.250 nan 0.000 0.444 522 T N 0.692 115.239 114.554 -0.011 0.000 2.765 522 T HA 0.505 4.854 4.350 -0.001 0.000 0.284 522 T C 0.896 175.590 174.700 -0.011 0.000 0.946 522 T CA 0.161 62.256 62.100 -0.009 0.000 1.185 522 T CB -0.399 68.464 68.868 -0.009 0.000 0.887 522 T HN 1.008 nan 8.240 nan 0.000 0.532 523 A N 2.558 125.373 122.820 -0.008 0.000 2.176 523 A HA 0.523 4.842 4.320 -0.001 0.000 0.214 523 A C 1.386 178.964 177.584 -0.009 0.000 1.327 523 A CA 0.884 52.915 52.037 -0.009 0.000 1.015 523 A CB -1.146 17.851 19.000 -0.005 0.000 0.818 523 A HN 1.188 nan 8.150 nan 0.000 0.500 524 K N 0.011 120.404 120.400 -0.012 0.000 2.313 524 K HA 0.738 5.058 4.320 -0.001 0.000 0.235 524 K C -3.324 173.261 176.600 -0.025 0.000 1.035 524 K CA -2.291 53.989 56.287 -0.012 0.000 0.868 524 K CB -0.070 32.428 32.500 -0.005 0.000 1.232 524 K HN 0.091 nan 8.250 nan 0.000 0.459 525 P HA 0.166 nan 4.420 nan 0.000 0.268 525 P C -0.292 176.964 177.300 -0.072 0.000 1.204 525 P CA -0.273 62.788 63.100 -0.065 0.000 0.768 525 P CB 0.123 31.782 31.700 -0.067 0.000 0.842 526 I N 2.177 122.685 120.570 -0.103 0.000 2.474 526 I HA 0.244 4.413 4.170 -0.001 0.000 0.287 526 I C 0.105 176.139 176.117 -0.139 0.000 1.048 526 I CA 0.099 61.343 61.300 -0.093 0.000 1.383 526 I CB 0.427 38.377 38.000 -0.083 0.000 1.412 526 I HN 0.308 nan 8.210 nan 0.000 0.531 527 T N 3.440 117.943 114.554 -0.084 0.000 2.901 527 T HA 0.469 4.818 4.350 -0.001 0.000 0.301 527 T C 1.028 175.556 174.700 -0.286 0.000 1.012 527 T CA -0.070 61.978 62.100 -0.087 0.000 1.135 527 T CB 0.581 69.521 68.868 0.120 0.000 0.936 527 T HN 1.832 nan 8.240 nan 0.000 0.539 528 G N 2.131 110.523 108.800 -0.680 0.000 2.198 528 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.260 528 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.260 528 G C -0.147 174.371 174.900 -0.637 0.000 1.025 528 G CA 0.006 44.415 45.100 -1.151 0.000 0.769 528 G HN 0.857 nan 8.290 nan 0.000 0.507 529 L N 0.444 121.257 121.223 -0.683 0.000 2.294 529 L HA 0.649 4.988 4.340 -0.001 0.000 0.283 529 L C -0.261 176.246 176.870 -0.605 0.000 1.015 529 L CA -0.890 53.686 54.840 -0.440 0.000 0.831 529 L CB 0.669 42.570 42.059 -0.262 0.000 1.217 529 L HN 0.181 nan 8.230 nan 0.000 0.420 530 Y N 2.917 123.166 120.300 -0.085 0.000 2.567 530 Y HA 0.792 5.342 4.550 -0.001 0.000 0.333 530 Y C 0.262 176.153 175.900 -0.016 0.000 1.106 530 Y CA -0.691 57.384 58.100 -0.041 0.000 1.157 530 Y CB 2.094 40.535 38.460 -0.030 0.000 1.277 530 Y HN 0.572 nan 8.280 nan 0.000 0.490 531 A N 0.654 123.572 122.820 0.162 0.000 2.594 531 A HA 0.920 5.240 4.320 -0.001 0.000 0.296 531 A C -1.795 175.847 177.584 0.097 0.000 1.061 531 A CA -0.194 51.900 52.037 0.095 0.000 0.689 531 A CB 1.168 20.190 19.000 0.036 0.000 1.280 531 A HN 1.241 nan 8.150 nan 0.000 0.406 532 A N 0.247 123.120 122.820 0.089 0.000 2.589 532 A HA 1.046 5.365 4.320 -0.001 0.000 0.296 532 A C 0.389 178.031 177.584 0.096 0.000 1.062 532 A CA 0.438 52.536 52.037 0.103 0.000 0.686 532 A CB 0.674 19.774 19.000 0.168 0.000 1.282 532 A HN 2.997 nan 8.150 nan 0.000 0.404 533 G N 0.547 109.407 108.800 0.099 0.000 2.445 533 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.212 533 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.212 533 G C 0.658 175.622 174.900 0.106 0.000 1.217 533 G CA 0.677 45.850 45.100 0.122 0.000 1.002 533 G HN 1.276 nan 8.290 nan 0.000 0.574 534 E N -0.702 119.552 120.200 0.091 0.000 2.338 534 E HA 0.058 4.408 4.350 -0.001 0.000 0.197 534 E C 2.420 179.008 176.600 -0.019 0.000 1.007 534 E CA 1.321 57.718 56.400 -0.005 0.000 0.849 534 E CB -0.059 29.551 29.700 -0.150 0.000 0.774 534 E HN 0.565 nan 8.360 nan 0.000 0.506 535 V N 0.971 120.903 119.914 0.029 0.000 2.970 535 V HA -0.079 4.040 4.120 -0.001 0.000 0.260 535 V C 0.956 177.069 176.094 0.032 0.000 1.100 535 V CA 1.456 63.781 62.300 0.043 0.000 1.122 535 V CB -0.267 31.589 31.823 0.056 0.000 0.721 535 V HN 0.414 nan 8.190 nan 0.000 0.483 536 T N -1.560 113.002 114.554 0.014 0.000 2.918 536 T HA 0.661 5.010 4.350 -0.001 0.000 0.283 536 T C 0.134 174.832 174.700 -0.003 0.000 1.001 536 T CA -0.006 62.084 62.100 -0.017 0.000 1.041 536 T CB 1.643 70.459 68.868 -0.086 0.000 1.028 536 T HN 0.363 nan 8.240 nan 0.000 0.511 537 G N -1.670 107.119 108.800 -0.019 0.000 2.511 537 G HA2 0.626 4.586 3.960 -0.001 0.000 0.318 537 G HA3 0.626 4.586 3.960 -0.001 0.000 0.318 537 G C 0.639 175.509 174.900 -0.049 0.000 1.210 537 G CA -0.359 44.740 45.100 -0.001 0.000 0.969 537 G HN 1.676 nan 8.290 nan 0.000 0.484 538 G N -1.203 107.576 108.800 -0.036 0.000 2.850 538 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.207 538 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.207 538 G C 1.508 176.327 174.900 -0.135 0.000 1.302 538 G CA 0.884 45.942 45.100 -0.069 0.000 0.832 538 G HN 1.331 nan 8.290 nan 0.000 0.543 539 V N 1.988 121.747 119.914 -0.257 0.000 2.250 539 V HA -0.196 3.923 4.120 -0.001 0.000 0.250 539 V C 1.998 177.790 176.094 -0.505 0.000 1.060 539 V CA 2.613 64.645 62.300 -0.447 0.000 1.030 539 V CB -0.667 30.747 31.823 -0.682 0.000 0.643 539 V HN 0.677 nan 8.190 nan 0.000 0.445 540 H N -0.169 118.909 119.070 0.014 0.000 2.519 540 H HA 0.385 4.940 4.556 -0.001 0.000 0.289 540 H C 1.516 176.827 175.328 -0.028 0.000 1.040 540 H CA 0.594 56.644 56.048 0.003 0.000 1.165 540 H CB -0.393 29.383 29.762 0.024 0.000 1.462 540 H HN 0.507 nan 8.280 nan 0.000 0.555 541 G N 1.428 110.231 108.800 0.006 0.000 2.627 541 G HA2 -0.397 3.562 3.960 -0.001 0.000 0.312 541 G HA3 -0.397 3.562 3.960 -0.001 0.000 0.312 541 G C 1.149 175.981 174.900 -0.112 0.000 1.299 541 G CA 1.142 46.214 45.100 -0.047 0.000 0.989 541 G HN 0.539 nan 8.290 nan 0.000 0.547 542 A N -0.108 122.510 122.820 -0.337 0.000 2.308 542 A HA 0.550 4.870 4.320 -0.001 0.000 0.217 542 A C 0.817 178.205 177.584 -0.327 0.000 1.216 542 A CA 1.450 53.044 52.037 -0.738 0.000 0.864 542 A CB -0.100 nan 19.000 nan 0.000 0.902 542 A HN 1.397 nan 8.150 nan 0.000 0.499 543 N N -0.441 118.173 118.700 -0.143 0.000 2.519 543 N HA 0.264 5.004 4.740 -0.001 0.000 0.291 543 N C -0.900 174.596 175.510 -0.024 0.000 1.107 543 N CA -0.462 52.549 53.050 -0.066 0.000 0.904 543 N CB 1.013 39.454 38.487 -0.076 0.000 1.500 543 N HN 0.231 nan 8.380 nan 0.000 0.510 544 R N 4.316 124.787 120.500 -0.049 0.000 2.340 544 R HA 0.360 4.700 4.340 -0.001 0.000 0.300 544 R C -0.381 175.842 176.300 -0.127 0.000 1.069 544 R CA -0.439 55.578 56.100 -0.139 0.000 0.984 544 R CB 0.551 30.545 30.300 -0.511 0.000 1.003 544 R HN 0.550 nan 8.270 nan 0.000 0.459 545 L N 3.155 124.336 121.223 -0.069 0.000 2.439 545 L HA 0.152 4.492 4.340 -0.001 0.000 0.269 545 L C 1.016 177.842 176.870 -0.074 0.000 1.179 545 L CA -0.037 54.775 54.840 -0.048 0.000 0.828 545 L CB 0.808 42.870 42.059 0.005 0.000 1.106 545 L HN 0.860 nan 8.230 nan 0.000 0.467 546 G N 1.126 109.893 108.800 -0.055 0.000 2.254 546 G HA2 0.331 4.291 3.960 -0.001 0.000 0.253 546 G HA3 0.331 4.291 3.960 -0.001 0.000 0.253 546 G C 0.896 175.790 174.900 -0.009 0.000 1.246 546 G CA 0.444 45.521 45.100 -0.038 0.000 0.946 546 G HN 1.097 nan 8.290 nan 0.000 0.474 547 G N 1.864 110.662 108.800 -0.003 0.000 2.157 547 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.239 547 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.239 547 G C 0.942 175.865 174.900 0.039 0.000 0.982 547 G CA 0.431 45.550 45.100 0.031 0.000 0.650 547 G HN 0.685 nan 8.290 nan 0.000 0.527 548 N N -0.123 118.582 118.700 0.008 0.000 2.388 548 N HA 0.216 4.955 4.740 -0.001 0.000 0.176 548 N C 2.606 178.186 175.510 0.116 0.000 1.062 548 N CA 0.844 53.945 53.050 0.084 0.000 0.895 548 N CB 0.011 38.567 38.487 0.115 0.000 1.018 548 N HN 0.520 nan 8.380 nan 0.000 0.456 549 A N 2.195 124.986 122.820 -0.048 0.000 1.851 549 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 549 A C 1.949 179.612 177.584 0.132 0.000 1.195 549 A CA 1.110 53.159 52.037 0.021 0.000 0.622 549 A CB -0.583 nan 19.000 nan 0.000 0.831 549 A HN 0.134 nan 8.150 nan 0.000 0.444 550 I N 0.339 120.970 120.570 0.101 0.000 2.286 550 I HA -0.216 3.954 4.170 -0.001 0.000 0.248 550 I C 3.050 179.242 176.117 0.125 0.000 1.115 550 I CA 1.843 63.212 61.300 0.116 0.000 1.392 550 I CB -1.793 36.267 38.000 0.101 0.000 1.065 550 I HN 0.473 nan 8.210 nan 0.000 0.418 551 S N 0.845 116.614 115.700 0.115 0.000 2.371 551 S HA -0.235 4.235 4.470 -0.001 0.000 0.224 551 S C 1.873 176.557 174.600 0.139 0.000 1.029 551 S CA 1.708 59.968 58.200 0.099 0.000 0.978 551 S CB -0.444 62.802 63.200 0.076 0.000 0.833 551 S HN 0.472 nan 8.310 nan 0.000 0.466 552 D N 1.941 122.468 120.400 0.212 0.000 2.092 552 D HA -0.168 4.471 4.640 -0.001 0.000 0.193 552 D C 1.909 178.389 176.300 0.301 0.000 0.994 552 D CA 1.978 56.165 54.000 0.311 0.000 0.828 552 D CB -0.500 40.509 40.800 0.349 0.000 0.963 552 D HN 0.661 nan 8.370 nan 0.000 0.450 553 I N -1.549 119.161 120.570 0.234 0.000 2.208 553 I HA -0.196 3.974 4.170 -0.001 0.000 0.245 553 I C 2.149 178.378 176.117 0.186 0.000 1.097 553 I CA 1.041 62.465 61.300 0.207 0.000 1.363 553 I CB -0.620 37.486 38.000 0.176 0.000 1.051 553 I HN -0.030 nan 8.210 nan 0.000 0.413 554 V N 1.665 121.678 119.914 0.165 0.000 2.283 554 V HA -0.211 3.909 4.120 -0.001 0.000 0.243 554 V C 2.720 178.843 176.094 0.048 0.000 1.039 554 V CA 2.599 65.006 62.300 0.179 0.000 1.016 554 V CB -0.941 31.020 31.823 0.229 0.000 0.650 554 V HN 0.519 nan 8.190 nan 0.000 0.449 555 T N -0.770 113.765 114.554 -0.031 0.000 2.607 555 T HA -0.270 4.079 4.350 -0.001 0.000 0.267 555 T C 1.767 176.297 174.700 -0.282 0.000 1.049 555 T CA 2.276 64.241 62.100 -0.225 0.000 1.162 555 T CB -0.469 68.243 68.868 -0.259 0.000 0.863 555 T HN 0.493 nan 8.240 nan 0.000 0.424 556 Y N 0.966 121.256 120.300 -0.016 0.000 2.421 556 Y HA 0.062 4.612 4.550 -0.001 0.000 0.292 556 Y C 2.625 178.529 175.900 0.006 0.000 1.136 556 Y CA 0.506 58.604 58.100 -0.003 0.000 1.255 556 Y CB -0.415 38.059 38.460 0.024 0.000 0.991 556 Y HN 0.286 nan 8.280 nan 0.000 0.552 557 G N -0.335 108.544 108.800 0.132 0.000 2.394 557 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.214 557 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.214 557 G C 1.662 176.586 174.900 0.041 0.000 1.176 557 G CA 0.473 45.644 45.100 0.119 0.000 0.786 557 G HN 0.223 nan 8.290 nan 0.000 0.533 558 R N -0.044 120.411 120.500 -0.075 0.000 2.097 558 R HA -0.094 4.246 4.340 -0.001 0.000 0.236 558 R C 2.661 178.857 176.300 -0.174 0.000 1.135 558 R CA 1.839 57.784 56.100 -0.258 0.000 0.934 558 R CB -0.451 29.442 30.300 -0.678 0.000 0.846 558 R HN 0.432 nan 8.270 nan 0.000 0.431 559 I N 0.261 120.727 120.570 -0.172 0.000 2.163 559 I HA -0.294 3.875 4.170 -0.001 0.000 0.243 559 I C 2.559 178.653 176.117 -0.040 0.000 1.085 559 I CA 1.507 62.745 61.300 -0.104 0.000 1.347 559 I CB -0.447 37.500 38.000 -0.088 0.000 1.044 559 I HN 0.285 nan 8.210 nan 0.000 0.408 560 A N 0.902 123.738 122.820 0.027 0.000 1.972 560 A HA -0.087 4.233 4.320 -0.001 0.000 0.219 560 A C 2.422 179.937 177.584 -0.116 0.000 1.169 560 A CA 1.840 53.881 52.037 0.007 0.000 0.635 560 A CB -1.344 17.723 19.000 0.112 0.000 0.810 560 A HN 0.487 nan 8.150 nan 0.000 0.446 561 G N -0.534 108.229 108.800 -0.062 0.000 2.404 561 G HA2 0.066 4.026 3.960 -0.001 0.000 0.214 561 G HA3 0.066 4.026 3.960 -0.001 0.000 0.214 561 G C 1.792 176.627 174.900 -0.109 0.000 1.189 561 G CA 1.316 46.379 45.100 -0.061 0.000 0.789 561 G HN 0.743 nan 8.290 nan 0.000 0.533 562 A N 0.966 123.729 122.820 -0.096 0.000 1.865 562 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 562 A C 2.705 180.211 177.584 -0.131 0.000 1.191 562 A CA 2.473 54.456 52.037 -0.091 0.000 0.623 562 A CB -0.891 18.058 19.000 -0.085 0.000 0.826 562 A HN 0.318 nan 8.150 nan 0.000 0.444 563 S N -0.172 115.411 115.700 -0.195 0.000 2.365 563 S HA -0.149 4.320 4.470 -0.001 0.000 0.225 563 S C 2.290 176.632 174.600 -0.430 0.000 1.039 563 S CA 1.470 59.518 58.200 -0.253 0.000 1.033 563 S CB -0.567 62.469 63.200 -0.273 0.000 0.887 563 S HN 0.849 nan 8.310 nan 0.000 0.447 564 A N 1.268 123.640 122.820 -0.747 0.000 1.933 564 A HA 0.134 4.454 4.320 -0.001 0.000 0.218 564 A C 2.323 179.846 177.584 -0.102 0.000 1.175 564 A CA 1.683 53.378 52.037 -0.569 0.000 0.628 564 A CB -0.946 17.770 19.000 -0.472 0.000 0.814 564 A HN 0.526 nan 8.150 nan 0.000 0.444 565 A N -0.423 122.348 122.820 -0.081 0.000 1.898 565 A HA 0.102 4.421 4.320 -0.001 0.000 0.216 565 A C 2.382 179.987 177.584 0.035 0.000 1.181 565 A CA 2.519 54.556 52.037 -0.002 0.000 0.620 565 A CB -0.857 18.134 19.000 -0.014 0.000 0.819 565 A HN 0.669 nan 8.150 nan 0.000 0.442 566 K N -0.703 119.712 120.400 0.026 0.000 2.097 566 K HA 0.010 4.329 4.320 -0.001 0.000 0.206 566 K C 0.852 177.498 176.600 0.076 0.000 1.049 566 K CA 1.106 57.416 56.287 0.039 0.000 0.933 566 K CB -1.061 31.457 32.500 0.031 0.000 0.717 566 K HN 0.490 nan 8.250 nan 0.000 0.442 567 F N -0.347 119.610 119.950 0.011 0.000 2.518 567 F HA 0.305 4.832 4.527 -0.001 0.000 0.359 567 F C 1.613 177.437 175.800 0.041 0.000 1.118 567 F CA 0.626 58.663 58.000 0.063 0.000 1.287 567 F CB 0.814 39.906 39.000 0.154 0.000 1.132 567 F HN 0.663 nan 8.300 nan 0.000 0.587 568 A N 0.754 123.653 122.820 0.131 0.000 1.352 568 A HA -0.292 4.028 4.320 -0.001 0.000 0.218 568 A C 1.164 178.766 177.584 0.030 0.000 0.487 568 A CA 1.220 53.339 52.037 0.136 0.000 1.103 568 A CB -2.442 16.675 19.000 0.195 0.000 1.465 568 A HN 1.374 nan 8.150 nan 0.000 0.721 569 K N 0.000 120.416 120.400 0.026 0.000 2.780 569 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 569 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 569 K CB 0.000 32.501 32.500 0.002 0.000 1.064 569 K HN 0.000 nan 8.250 nan 0.000 0.543