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 2eq9_1_B DATA FIRST_RESID 7 DATA SEQUENCE MKTYDLIVIG TGPGGYHAAI RAAQLGLKVL AVEAGEVGGV cLNVGcIPTK DATA SEQUENCE ALLHAAETLH HLKVAEGFGL KAXKPELDLK KLGGWRDQVV KKLTGGVGTL DATA SEQUENCE LKGNGVELLR GFARLVGPKE VEVXXXXGGE RYGAKSLILA TGSEPLELKG DATA SEQUENCE FPFGEDVWDS TRALKVEGLP KRLLVIGGGA VGLELGQVYR RLGAEVTLIE DATA SEQUENCE YMPEILPQGD PETAALLRRA LEKEGIRVRT KTKAVGYEKK KDGLHVRLEE DATA SEQUENCE GGEGEEVVVD KVLVAVGRKP RTEGLGLEKA GVKVDERGFI RVNARMETSV DATA SEQUENCE PGVYAIGDAA RPPLLAHKAM REGLIAAENA AGKDSAFDYX QVPSVVYTSP DATA SEQUENCE EWAGVGLTEE EAKRAGYKVK VGKFPLAASG RALTLGGAEG MVKVVGDEET DATA SEQUENCE DLLLGVFIVG PQAGELIAEA ALALEMGATL TDLALTVHPH PTLSESLMEA DATA SEQUENCE AEAFHKQAIH ILN 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.228 176.300 -0.121 0.000 1.140 7 M CA 0.000 55.214 55.300 -0.143 0.000 0.988 7 M CB 0.000 32.541 32.600 -0.098 0.000 1.302 8 K N 2.526 122.841 120.400 -0.142 0.000 2.436 8 K HA 0.474 4.784 4.320 -0.017 0.000 0.275 8 K C 0.083 176.632 176.600 -0.085 0.000 0.999 8 K CA 0.328 56.553 56.287 -0.104 0.000 0.980 8 K CB 0.672 33.201 32.500 0.049 0.000 0.919 8 K HN 0.619 nan 8.250 nan 0.000 0.484 9 T N -0.803 113.566 114.554 -0.309 0.000 2.924 9 T HA 0.730 5.069 4.350 -0.017 0.000 0.291 9 T C -0.895 173.458 174.700 -0.578 0.000 1.045 9 T CA -0.800 61.179 62.100 -0.202 0.000 1.015 9 T CB 0.714 69.533 68.868 -0.082 0.000 1.103 9 T HN 0.362 nan 8.240 nan 0.000 0.496 10 Y N -1.058 119.277 120.300 0.059 0.000 2.728 10 Y HA 0.446 4.986 4.550 -0.017 0.000 0.330 10 Y C 0.881 176.803 175.900 0.037 0.000 1.234 10 Y CA -1.321 56.806 58.100 0.046 0.000 1.070 10 Y CB 0.938 39.427 38.460 0.047 0.000 1.300 10 Y HN 0.576 nan 8.280 nan 0.000 0.467 11 D N 0.082 120.602 120.400 0.201 0.000 2.213 11 D HA 0.055 4.684 4.640 -0.017 0.000 0.205 11 D C -0.389 175.981 176.300 0.117 0.000 0.961 11 D CA 1.437 55.509 54.000 0.120 0.000 0.853 11 D CB 0.661 41.511 40.800 0.084 0.000 0.967 11 D HN 0.240 nan 8.370 nan 0.000 0.496 12 L N 0.180 121.479 121.223 0.128 0.000 2.505 12 L HA 0.430 4.759 4.340 -0.017 0.000 0.259 12 L C -1.872 175.011 176.870 0.022 0.000 0.952 12 L CA -0.567 54.316 54.840 0.072 0.000 0.840 12 L CB 2.497 44.575 42.059 0.031 0.000 1.358 12 L HN -0.253 nan 8.230 nan 0.000 0.409 13 I N 4.401 124.969 120.570 -0.004 0.000 2.465 13 I HA 0.580 4.740 4.170 -0.017 0.000 0.291 13 I C -1.018 175.058 176.117 -0.069 0.000 1.014 13 I CA -0.983 60.264 61.300 -0.090 0.000 1.093 13 I CB 2.155 40.110 38.000 -0.074 0.000 1.267 13 I HN 0.280 nan 8.210 nan 0.000 0.431 14 V N 7.018 126.871 119.914 -0.101 0.000 2.448 14 V HA 0.438 4.548 4.120 -0.017 0.000 0.295 14 V C 0.001 176.039 176.094 -0.092 0.000 1.025 14 V CA -0.511 61.747 62.300 -0.070 0.000 0.859 14 V CB 2.094 33.886 31.823 -0.052 0.000 0.988 14 V HN 0.464 nan 8.190 nan 0.000 0.431 15 I N 4.706 125.229 120.570 -0.079 0.000 2.306 15 I HA 0.678 4.838 4.170 -0.017 0.000 0.288 15 I C 0.685 176.758 176.117 -0.075 0.000 1.036 15 I CA 0.033 61.270 61.300 -0.105 0.000 1.221 15 I CB 1.053 38.978 38.000 -0.125 0.000 1.385 15 I HN 0.888 nan 8.210 nan 0.000 0.472 16 G N 3.420 112.180 108.800 -0.067 0.000 3.069 16 G HA2 -0.119 3.831 3.960 -0.017 0.000 0.686 16 G HA3 -0.119 3.831 3.960 -0.017 0.000 0.686 16 G C -0.085 174.818 174.900 0.004 0.000 1.161 16 G CA -0.371 44.711 45.100 -0.030 0.000 0.804 16 G HN 0.697 nan 8.290 nan 0.000 0.608 17 T N 0.212 114.788 114.554 0.036 0.000 3.275 17 T HA 0.632 4.972 4.350 -0.017 0.000 0.265 17 T C 1.230 176.052 174.700 0.204 0.000 0.978 17 T CA 0.805 62.972 62.100 0.111 0.000 0.923 17 T CB 0.686 69.602 68.868 0.079 0.000 1.126 17 T HN 1.664 nan 8.240 nan 0.000 0.538 18 G N 1.938 110.810 108.800 0.120 0.000 2.563 18 G HA2 0.478 4.428 3.960 -0.017 0.000 0.283 18 G HA3 0.478 4.428 3.960 -0.017 0.000 0.283 18 G C -1.550 173.360 174.900 0.017 0.000 1.309 18 G CA -1.777 43.393 45.100 0.116 0.000 1.022 18 G HN 0.032 nan 8.290 nan 0.000 0.501 19 P HA -0.191 nan 4.420 nan 0.000 0.217 19 P C 2.044 179.017 177.300 -0.545 0.000 1.162 19 P CA 2.262 65.094 63.100 -0.445 0.000 0.901 19 P CB -0.017 31.545 31.700 -0.229 0.000 0.793 20 G N -0.963 107.670 108.800 -0.279 0.000 2.421 20 G HA2 -0.199 3.751 3.960 -0.017 0.000 0.216 20 G HA3 -0.199 3.751 3.960 -0.017 0.000 0.216 20 G C 1.807 176.629 174.900 -0.129 0.000 1.171 20 G CA 1.012 45.996 45.100 -0.194 0.000 0.775 20 G HN 0.389 nan 8.290 nan 0.000 0.543 21 G N 0.606 109.355 108.800 -0.086 0.000 2.433 21 G HA2 -0.227 3.722 3.960 -0.017 0.000 0.216 21 G HA3 -0.227 3.722 3.960 -0.017 0.000 0.216 21 G C 1.723 176.642 174.900 0.031 0.000 1.186 21 G CA 1.317 46.406 45.100 -0.019 0.000 0.779 21 G HN 0.662 nan 8.290 nan 0.000 0.543 22 Y N -0.185 120.146 120.300 0.052 0.000 2.571 22 Y HA 0.160 4.698 4.550 -0.019 0.000 0.294 22 Y C 2.247 178.168 175.900 0.035 0.000 1.141 22 Y CA 1.072 59.192 58.100 0.033 0.000 1.308 22 Y CB -0.713 37.763 38.460 0.027 0.000 1.002 22 Y HN 0.293 nan 8.280 nan 0.000 0.551 23 H N 0.280 119.195 119.070 -0.258 0.000 2.415 23 H HA 0.237 4.782 4.556 -0.018 0.000 0.297 23 H C 2.311 177.598 175.328 -0.069 0.000 1.048 23 H CA 1.302 57.253 56.048 -0.162 0.000 1.365 23 H CB -0.203 29.401 29.762 -0.263 0.000 1.421 23 H HN 0.438 nan 8.280 nan 0.000 0.533 24 A N 0.602 123.443 122.820 0.035 0.000 1.898 24 A HA -0.053 4.257 4.320 -0.017 0.000 0.216 24 A C 2.474 180.052 177.584 -0.011 0.000 1.181 24 A CA 1.523 53.558 52.037 -0.003 0.000 0.620 24 A CB -1.008 17.978 19.000 -0.023 0.000 0.819 24 A HN 0.452 nan 8.150 nan 0.000 0.442 25 A N 0.055 122.878 122.820 0.006 0.000 1.877 25 A HA -0.080 4.229 4.320 -0.017 0.000 0.216 25 A C 2.137 179.721 177.584 0.000 0.000 1.186 25 A CA 1.570 53.608 52.037 0.002 0.000 0.620 25 A CB -0.616 18.394 19.000 0.016 0.000 0.822 25 A HN 0.484 nan 8.150 nan 0.000 0.443 26 I N -1.102 119.473 120.570 0.009 0.000 2.252 26 I HA -0.210 3.950 4.170 -0.017 0.000 0.245 26 I C 2.666 178.766 176.117 -0.028 0.000 1.102 26 I CA 1.611 62.903 61.300 -0.013 0.000 1.385 26 I CB -0.256 37.729 38.000 -0.025 0.000 1.064 26 I HN 0.276 nan 8.210 nan 0.000 0.414 27 R N 1.847 122.327 120.500 -0.034 0.000 2.092 27 R HA -0.081 4.249 4.340 -0.017 0.000 0.231 27 R C 2.107 178.393 176.300 -0.024 0.000 1.119 27 R CA 1.786 57.867 56.100 -0.031 0.000 0.970 27 R CB -0.751 29.534 30.300 -0.024 0.000 0.864 27 R HN 0.336 nan 8.270 nan 0.000 0.440 28 A N 0.266 123.072 122.820 -0.024 0.000 1.902 28 A HA 0.010 4.319 4.320 -0.017 0.000 0.217 28 A C 2.381 179.960 177.584 -0.008 0.000 1.181 28 A CA 1.707 53.731 52.037 -0.021 0.000 0.623 28 A CB -1.043 17.943 19.000 -0.023 0.000 0.818 28 A HN 0.463 nan 8.150 nan 0.000 0.443 29 A N -0.483 122.333 122.820 -0.006 0.000 1.902 29 A HA -0.228 4.081 4.320 -0.017 0.000 0.217 29 A C 2.083 179.666 177.584 -0.003 0.000 1.181 29 A CA 1.665 53.703 52.037 0.001 0.000 0.623 29 A CB -0.646 18.353 19.000 -0.001 0.000 0.818 29 A HN 0.654 nan 8.150 nan 0.000 0.443 30 Q N -0.550 119.244 119.800 -0.010 0.000 2.226 30 Q HA -0.017 4.313 4.340 -0.017 0.000 0.204 30 Q C 1.424 177.419 176.000 -0.008 0.000 0.975 30 Q CA 0.970 56.766 55.803 -0.011 0.000 0.866 30 Q CB -0.272 28.455 28.738 -0.018 0.000 0.915 30 Q HN 0.652 nan 8.270 nan 0.000 0.440 31 L N -0.758 120.461 121.223 -0.007 0.000 2.612 31 L HA 0.161 4.491 4.340 -0.017 0.000 0.230 31 L C 0.967 177.838 176.870 0.001 0.000 1.140 31 L CA 0.331 55.168 54.840 -0.005 0.000 0.896 31 L CB 0.033 42.087 42.059 -0.009 0.000 1.065 31 L HN 0.408 nan 8.230 nan 0.000 0.447 32 G N 0.199 109.001 108.800 0.004 0.000 2.141 32 G HA2 -0.238 3.712 3.960 -0.017 0.000 0.231 32 G HA3 -0.238 3.712 3.960 -0.017 0.000 0.231 32 G C 0.143 175.053 174.900 0.017 0.000 0.984 32 G CA -0.315 44.791 45.100 0.010 0.000 0.660 32 G HN 0.204 nan 8.290 nan 0.000 0.525 33 L N 0.192 121.427 121.223 0.020 0.000 2.357 33 L HA 0.706 5.035 4.340 -0.017 0.000 0.273 33 L C 0.995 177.896 176.870 0.052 0.000 1.080 33 L CA -0.331 54.529 54.840 0.034 0.000 0.803 33 L CB 0.989 43.066 42.059 0.029 0.000 1.174 33 L HN 0.238 nan 8.230 nan 0.000 0.443 34 K N 2.709 123.157 120.400 0.080 0.000 2.285 34 K HA 0.562 4.871 4.320 -0.017 0.000 0.286 34 K C -0.698 176.011 176.600 0.182 0.000 1.072 34 K CA -0.365 55.999 56.287 0.129 0.000 0.913 34 K CB 0.688 33.265 32.500 0.129 0.000 1.067 34 K HN 0.388 nan 8.250 nan 0.000 0.479 35 V N 2.497 122.487 119.914 0.127 0.000 2.581 35 V HA 0.603 4.713 4.120 -0.017 0.000 0.303 35 V C -0.626 175.402 176.094 -0.110 0.000 1.041 35 V CA -1.036 61.283 62.300 0.031 0.000 0.907 35 V CB 1.519 33.338 31.823 -0.006 0.000 0.994 35 V HN 0.825 nan 8.190 nan 0.000 0.442 36 L N 4.062 125.074 121.223 -0.351 0.000 2.333 36 L HA 0.917 5.247 4.340 -0.017 0.000 0.280 36 L C -0.047 176.626 176.870 -0.328 0.000 1.004 36 L CA -0.239 54.252 54.840 -0.580 0.000 0.820 36 L CB 1.338 42.648 42.059 -1.248 0.000 1.247 36 L HN 0.786 nan 8.230 nan 0.000 0.416 37 A N 5.254 127.928 122.820 -0.242 0.000 2.304 37 A HA 0.767 5.076 4.320 -0.017 0.000 0.314 37 A C -1.204 176.276 177.584 -0.174 0.000 1.187 37 A CA -0.550 51.390 52.037 -0.161 0.000 0.810 37 A CB 1.236 20.184 19.000 -0.087 0.000 1.183 37 A HN 0.516 nan 8.150 nan 0.000 0.487 38 V N 1.935 121.747 119.914 -0.171 0.000 2.483 38 V HA 0.632 4.742 4.120 -0.017 0.000 0.295 38 V C -0.268 175.760 176.094 -0.111 0.000 1.035 38 V CA -0.457 61.740 62.300 -0.171 0.000 0.896 38 V CB 1.456 33.149 31.823 -0.218 0.000 0.986 38 V HN 0.951 nan 8.190 nan 0.000 0.447 39 E N 3.054 123.205 120.200 -0.083 0.000 2.283 39 E HA 0.654 4.993 4.350 -0.017 0.000 0.258 39 E C 0.295 176.886 176.600 -0.015 0.000 0.893 39 E CA -0.068 56.307 56.400 -0.042 0.000 0.798 39 E CB 1.607 31.291 29.700 -0.027 0.000 1.242 39 E HN 0.651 nan 8.360 nan 0.000 0.414 40 A N 3.183 126.012 122.820 0.015 0.000 2.066 40 A HA 0.312 4.621 4.320 -0.017 0.000 0.218 40 A C 1.174 178.796 177.584 0.063 0.000 1.157 40 A CA 1.456 53.543 52.037 0.083 0.000 0.670 40 A CB -0.092 19.037 19.000 0.215 0.000 0.804 40 A HN 0.604 nan 8.150 nan 0.000 0.453 41 G N -1.181 107.642 108.800 0.038 0.000 3.387 41 G HA2 0.455 4.405 3.960 -0.017 0.000 0.194 41 G HA3 0.455 4.405 3.960 -0.017 0.000 0.194 41 G C -0.778 174.125 174.900 0.005 0.000 1.417 41 G CA -0.340 44.772 45.100 0.021 0.000 0.777 41 G HN 0.104 nan 8.290 nan 0.000 0.721 42 E N 0.635 120.834 120.200 -0.001 0.000 2.283 42 E HA 0.392 4.732 4.350 -0.017 0.000 0.278 42 E C -0.179 176.416 176.600 -0.008 0.000 1.027 42 E CA -0.389 56.005 56.400 -0.011 0.000 0.843 42 E CB 2.134 31.823 29.700 -0.018 0.000 1.062 42 E HN 0.071 nan 8.360 nan 0.000 0.401 43 V N 2.172 122.075 119.914 -0.019 0.000 2.599 43 V HA 0.265 4.375 4.120 -0.017 0.000 0.300 43 V C 1.450 177.534 176.094 -0.017 0.000 1.034 43 V CA 1.665 63.953 62.300 -0.020 0.000 1.115 43 V CB 0.597 32.392 31.823 -0.047 0.000 0.934 43 V HN 1.031 nan 8.190 nan 0.000 0.485 44 G N 2.899 111.715 108.800 0.028 0.000 2.253 44 G HA2 0.147 4.097 3.960 -0.017 0.000 0.209 44 G HA3 0.147 4.097 3.960 -0.017 0.000 0.209 44 G C 0.870 175.836 174.900 0.110 0.000 0.997 44 G CA 0.112 45.252 45.100 0.067 0.000 0.640 44 G HN 2.192 nan 8.290 nan 0.000 0.496 45 G N -1.206 107.633 108.800 0.066 0.000 2.645 45 G HA2 -0.023 3.927 3.960 -0.017 0.000 0.246 45 G HA3 -0.023 3.927 3.960 -0.017 0.000 0.246 45 G C 1.099 176.015 174.900 0.027 0.000 1.322 45 G CA 1.023 46.152 45.100 0.048 0.000 0.898 45 G HN 1.290 nan 8.290 nan 0.000 0.573 46 V N -0.022 119.903 119.914 0.019 0.000 2.261 46 V HA -0.247 3.863 4.120 -0.017 0.000 0.246 46 V C 3.178 179.275 176.094 0.005 0.000 1.047 46 V CA 2.942 65.246 62.300 0.006 0.000 1.015 46 V CB -1.235 30.591 31.823 0.005 0.000 0.642 46 V HN 1.143 nan 8.190 nan 0.000 0.446 47 c N 0.043 118.652 118.600 0.016 0.000 2.349 47 c HA -0.233 4.327 4.570 -0.017 0.000 0.274 47 c C 2.586 176.677 174.090 0.002 0.000 1.178 47 c CA 1.810 58.147 56.329 0.013 0.000 1.769 47 c CB -1.136 41.392 42.510 0.030 0.000 2.047 47 c HN 0.542 nan 8.230 nan 0.000 0.448 48 L N 1.195 122.429 121.223 0.019 0.000 2.156 48 L HA -0.008 4.322 4.340 -0.017 0.000 0.208 48 L C 2.392 179.240 176.870 -0.037 0.000 1.095 48 L CA 1.680 56.515 54.840 -0.009 0.000 0.770 48 L CB -0.886 41.177 42.059 0.006 0.000 0.914 48 L HN 0.474 nan 8.230 nan 0.000 0.439 49 N N -0.612 118.072 118.700 -0.027 0.000 2.333 49 N HA 0.025 4.755 4.740 -0.017 0.000 0.183 49 N C 1.197 176.680 175.510 -0.045 0.000 1.030 49 N CA 1.683 54.710 53.050 -0.039 0.000 0.867 49 N CB 0.533 39.002 38.487 -0.029 0.000 1.027 49 N HN 0.307 nan 8.380 nan 0.000 0.435 50 V N -2.987 116.907 119.914 -0.034 0.000 3.111 50 V HA 0.629 4.739 4.120 -0.017 0.000 0.343 50 V C 0.624 176.704 176.094 -0.024 0.000 1.417 50 V CA -0.126 62.153 62.300 -0.035 0.000 1.142 50 V CB 0.530 32.330 31.823 -0.040 0.000 1.114 50 V HN 0.155 nan 8.190 nan 0.000 0.520 51 G N -0.312 108.475 108.800 -0.022 0.000 3.244 51 G HA2 0.180 4.129 3.960 -0.017 0.000 0.197 51 G HA3 0.180 4.129 3.960 -0.017 0.000 0.197 51 G C 1.008 175.893 174.900 -0.025 0.000 1.531 51 G CA 0.703 45.796 45.100 -0.011 0.000 0.747 51 G HN 0.243 nan 8.290 nan 0.000 0.763 52 c N 1.011 119.594 118.600 -0.029 0.000 2.303 52 c HA -0.149 4.411 4.570 -0.017 0.000 0.273 52 c C 2.807 176.828 174.090 -0.115 0.000 1.154 52 c CA 0.881 57.166 56.329 -0.073 0.000 1.784 52 c CB -1.308 41.167 42.510 -0.059 0.000 1.993 52 c HN 0.429 nan 8.230 nan 0.000 0.430 53 I N 2.349 122.861 120.570 -0.096 0.000 2.069 53 I HA -0.139 4.021 4.170 -0.017 0.000 0.237 53 I C 0.171 176.207 176.117 -0.135 0.000 1.053 53 I CA 2.035 63.262 61.300 -0.122 0.000 1.311 53 I CB -2.967 34.967 38.000 -0.110 0.000 1.030 53 I HN 0.298 nan 8.210 nan 0.000 0.398 54 P HA -0.112 nan 4.420 nan 0.000 0.218 54 P C 1.654 178.917 177.300 -0.062 0.000 1.149 54 P CA 1.597 64.632 63.100 -0.109 0.000 0.817 54 P CB -0.214 31.436 31.700 -0.083 0.000 0.785 55 T N 0.180 114.707 114.554 -0.044 0.000 2.777 55 T HA -0.086 4.253 4.350 -0.017 0.000 0.266 55 T C 1.865 176.560 174.700 -0.008 0.000 1.040 55 T CA 1.576 63.673 62.100 -0.005 0.000 1.141 55 T CB -0.377 68.495 68.868 0.005 0.000 0.868 55 T HN 0.084 nan 8.240 nan 0.000 0.444 56 K N 1.265 121.617 120.400 -0.079 0.000 2.148 56 K HA 0.164 4.474 4.320 -0.017 0.000 0.204 56 K C 2.285 178.913 176.600 0.045 0.000 1.050 56 K CA 0.978 57.217 56.287 -0.081 0.000 0.942 56 K CB -0.484 31.877 32.500 -0.232 0.000 0.724 56 K HN 0.295 nan 8.250 nan 0.000 0.446 57 A N 0.532 123.355 122.820 0.005 0.000 1.873 57 A HA -0.117 4.193 4.320 -0.017 0.000 0.215 57 A C 2.072 179.843 177.584 0.311 0.000 1.186 57 A CA 1.265 53.355 52.037 0.089 0.000 0.616 57 A CB -0.652 18.158 19.000 -0.318 0.000 0.823 57 A HN 0.201 nan 8.150 nan 0.000 0.442 58 L N -0.715 120.606 121.223 0.164 0.000 2.046 58 L HA -0.185 4.145 4.340 -0.017 0.000 0.208 58 L C 2.575 179.535 176.870 0.150 0.000 1.077 58 L CA 1.059 55.993 54.840 0.156 0.000 0.747 58 L CB -0.581 41.522 42.059 0.073 0.000 0.896 58 L HN 0.365 nan 8.230 nan 0.000 0.432 59 L N -0.944 120.368 121.223 0.147 0.000 2.083 59 L HA -0.262 4.067 4.340 -0.017 0.000 0.209 59 L C 2.695 179.673 176.870 0.180 0.000 1.083 59 L CA 1.200 56.127 54.840 0.147 0.000 0.752 59 L CB -0.595 41.559 42.059 0.158 0.000 0.899 59 L HN 0.322 nan 8.230 nan 0.000 0.433 60 H N -0.113 119.048 119.070 0.151 0.000 2.357 60 H HA -0.108 4.438 4.556 -0.017 0.000 0.301 60 H C 2.078 177.472 175.328 0.109 0.000 1.082 60 H CA 1.457 57.594 56.048 0.149 0.000 1.342 60 H CB 0.065 29.955 29.762 0.213 0.000 1.389 60 H HN 0.270 nan 8.280 nan 0.000 0.511 61 A N 0.994 123.824 122.820 0.016 0.000 1.877 61 A HA -0.047 4.263 4.320 -0.017 0.000 0.216 61 A C 2.663 180.198 177.584 -0.082 0.000 1.186 61 A CA 1.850 53.817 52.037 -0.116 0.000 0.620 61 A CB -1.450 17.562 19.000 0.019 0.000 0.822 61 A HN 0.613 nan 8.150 nan 0.000 0.443 62 A N -0.204 122.616 122.820 0.000 0.000 1.908 62 A HA -0.206 4.104 4.320 -0.017 0.000 0.218 62 A C 1.988 179.597 177.584 0.043 0.000 1.181 62 A CA 2.337 54.386 52.037 0.020 0.000 0.627 62 A CB -0.507 18.513 19.000 0.033 0.000 0.818 62 A HN 0.578 nan 8.150 nan 0.000 0.445 63 E N -0.233 119.984 120.200 0.028 0.000 2.106 63 E HA -0.103 4.236 4.350 -0.017 0.000 0.192 63 E C 1.936 178.568 176.600 0.052 0.000 0.984 63 E CA 2.004 58.443 56.400 0.064 0.000 0.806 63 E CB -0.711 29.029 29.700 0.066 0.000 0.750 63 E HN 0.490 nan 8.360 nan 0.000 0.458 64 T N 1.091 115.587 114.554 -0.096 0.000 2.746 64 T HA -0.129 4.211 4.350 -0.017 0.000 0.267 64 T C 1.692 176.388 174.700 -0.006 0.000 1.039 64 T CA 1.265 63.307 62.100 -0.097 0.000 1.142 64 T CB -0.378 68.328 68.868 -0.269 0.000 0.866 64 T HN 0.175 nan 8.240 nan 0.000 0.444 65 L N 0.703 121.917 121.223 -0.015 0.000 2.005 65 L HA -0.049 4.281 4.340 -0.017 0.000 0.207 65 L C 2.310 179.201 176.870 0.036 0.000 1.072 65 L CA 2.085 56.925 54.840 0.000 0.000 0.744 65 L CB -0.887 41.172 42.059 -0.001 0.000 0.895 65 L HN 0.327 nan 8.230 nan 0.000 0.433 66 H N -1.699 117.378 119.070 0.011 0.000 2.352 66 H HA -0.260 4.285 4.556 -0.018 0.000 0.299 66 H C 2.235 177.597 175.328 0.057 0.000 1.097 66 H CA 2.180 58.246 56.048 0.031 0.000 1.311 66 H CB -0.194 29.596 29.762 0.046 0.000 1.377 66 H HN 0.620 nan 8.280 nan 0.000 0.504 67 H N -0.022 119.058 119.070 0.017 0.000 2.489 67 H HA -0.055 4.497 4.556 -0.007 0.000 0.293 67 H C 2.037 177.300 175.328 -0.108 0.000 1.066 67 H CA 1.248 57.286 56.048 -0.017 0.000 1.305 67 H CB -0.312 29.492 29.762 0.070 0.000 1.386 67 H HN 0.406 nan 8.280 nan 0.000 0.551 68 L N -0.186 120.942 121.223 -0.158 0.000 2.191 68 L HA -0.179 4.151 4.340 -0.017 0.000 0.212 68 L C 2.291 178.973 176.870 -0.312 0.000 1.103 68 L CA 1.254 55.956 54.840 -0.230 0.000 0.769 68 L CB -0.260 41.720 42.059 -0.131 0.000 0.908 68 L HN 0.316 nan 8.230 nan 0.000 0.438 69 K N -0.302 119.906 120.400 -0.321 0.000 2.001 69 K HA -0.127 4.182 4.320 -0.017 0.000 0.208 69 K C 2.045 178.444 176.600 -0.334 0.000 1.048 69 K CA 1.185 57.291 56.287 -0.303 0.000 0.932 69 K CB -0.325 31.981 32.500 -0.324 0.000 0.715 69 K HN 0.050 nan 8.250 nan 0.000 0.437 70 V N 1.636 121.328 119.914 -0.370 0.000 2.407 70 V HA -0.244 3.866 4.120 -0.017 0.000 0.248 70 V C 2.325 178.067 176.094 -0.586 0.000 1.055 70 V CA 1.929 64.022 62.300 -0.346 0.000 1.049 70 V CB -0.698 30.998 31.823 -0.211 0.000 0.662 70 V HN 0.379 nan 8.190 nan 0.000 0.455 71 A N -0.444 121.878 122.820 -0.830 0.000 1.978 71 A HA -0.278 4.032 4.320 -0.017 0.000 0.220 71 A C 2.123 179.009 177.584 -1.163 0.000 1.170 71 A CA 1.896 53.106 52.037 -1.378 0.000 0.636 71 A CB -0.496 18.017 19.000 -0.812 0.000 0.810 71 A HN 0.637 nan 8.150 nan 0.000 0.448 72 E N -0.756 119.082 120.200 -0.603 0.000 2.209 72 E HA -0.151 4.189 4.350 -0.017 0.000 0.196 72 E C 2.016 178.410 176.600 -0.343 0.000 0.993 72 E CA 0.680 56.852 56.400 -0.379 0.000 0.819 72 E CB -0.350 29.203 29.700 -0.245 0.000 0.745 72 E HN 0.659 nan 8.360 nan 0.000 0.477 73 G N 1.074 109.639 108.800 -0.391 0.000 2.448 73 G HA2 -0.223 3.727 3.960 -0.017 0.000 0.219 73 G HA3 -0.223 3.727 3.960 -0.017 0.000 0.219 73 G C 0.910 175.750 174.900 -0.099 0.000 1.127 73 G CA 0.587 45.561 45.100 -0.210 0.000 0.766 73 G HN 0.343 nan 8.290 nan 0.000 0.552 74 F N -1.157 118.763 119.950 -0.049 0.000 2.850 74 F HA 0.593 5.109 4.527 -0.019 0.000 0.306 74 F C 1.229 177.010 175.800 -0.031 0.000 1.162 74 F CA -1.798 56.183 58.000 -0.032 0.000 1.327 74 F CB -0.049 38.937 39.000 -0.023 0.000 0.953 74 F HN 0.115 nan 8.300 nan 0.000 0.507 75 G N 0.898 109.727 108.800 0.048 0.000 2.176 75 G HA2 -0.301 3.649 3.960 -0.017 0.000 0.253 75 G HA3 -0.301 3.649 3.960 -0.017 0.000 0.253 75 G C -0.293 174.619 174.900 0.020 0.000 0.979 75 G CA 0.043 45.171 45.100 0.046 0.000 0.641 75 G HN 0.518 nan 8.290 nan 0.000 0.530 76 L N 1.634 122.824 121.223 -0.055 0.000 2.363 76 L HA 0.679 5.009 4.340 -0.017 0.000 0.286 76 L C 0.656 177.460 176.870 -0.111 0.000 1.106 76 L CA 0.404 55.215 54.840 -0.049 0.000 0.859 76 L CB -0.446 41.581 42.059 -0.053 0.000 1.223 76 L HN 0.534 nan 8.230 nan 0.000 0.446 77 K N 3.886 124.251 120.400 -0.060 0.000 2.183 77 K HA 0.947 5.257 4.320 -0.017 0.000 0.274 77 K C -0.353 176.216 176.600 -0.052 0.000 1.009 77 K CA 0.036 56.283 56.287 -0.065 0.000 0.888 77 K CB 1.329 33.802 32.500 -0.045 0.000 1.078 77 K HN 1.091 nan 8.250 nan 0.000 0.459 81 P HA 0.498 nan 4.420 nan 0.000 0.265 81 P C -0.243 177.039 177.300 -0.031 0.000 1.193 81 P CA 0.502 63.579 63.100 -0.039 0.000 0.765 81 P CB 1.186 32.859 31.700 -0.045 0.000 0.823 82 E N 2.707 122.890 120.200 -0.029 0.000 2.373 82 E HA 0.361 4.701 4.350 -0.017 0.000 0.251 82 E C -1.342 175.243 176.600 -0.025 0.000 0.923 82 E CA -0.829 55.557 56.400 -0.023 0.000 0.798 82 E CB 0.902 30.591 29.700 -0.018 0.000 1.303 82 E HN 0.505 nan 8.360 nan 0.000 0.412 83 L N 2.424 123.633 121.223 -0.023 0.000 2.278 83 L HA 0.367 4.697 4.340 -0.017 0.000 0.287 83 L C -0.242 176.619 176.870 -0.016 0.000 1.072 83 L CA -0.515 54.309 54.840 -0.026 0.000 0.819 83 L CB 1.579 43.622 42.059 -0.027 0.000 1.176 83 L HN 0.591 nan 8.230 nan 0.000 0.435 84 D N 4.793 125.184 120.400 -0.015 0.000 2.365 84 D HA 0.072 4.702 4.640 -0.017 0.000 0.237 84 D C 1.167 177.470 176.300 0.004 0.000 1.190 84 D CA 0.012 54.010 54.000 -0.004 0.000 0.867 84 D CB 0.726 41.523 40.800 -0.004 0.000 1.050 84 D HN 0.632 nan 8.370 nan 0.000 0.491 85 L N 3.576 124.802 121.223 0.006 0.000 2.131 85 L HA -0.148 4.182 4.340 -0.017 0.000 0.210 85 L C 2.456 179.339 176.870 0.021 0.000 1.092 85 L CA 0.922 55.768 54.840 0.010 0.000 0.759 85 L CB -0.235 41.826 42.059 0.004 0.000 0.903 85 L HN 0.391 nan 8.230 nan 0.000 0.435 86 K N 0.721 121.133 120.400 0.020 0.000 2.097 86 K HA -0.240 4.070 4.320 -0.017 0.000 0.206 86 K C 2.205 178.827 176.600 0.037 0.000 1.049 86 K CA 1.422 57.723 56.287 0.024 0.000 0.933 86 K CB 0.125 32.636 32.500 0.019 0.000 0.717 86 K HN -0.020 nan 8.250 nan 0.000 0.442 87 K N 0.661 121.084 120.400 0.038 0.000 2.057 87 K HA -0.109 4.201 4.320 -0.017 0.000 0.206 87 K C 1.970 178.630 176.600 0.100 0.000 1.050 87 K CA 0.858 57.176 56.287 0.053 0.000 0.935 87 K CB -0.250 32.265 32.500 0.025 0.000 0.715 87 K HN 0.117 nan 8.250 nan 0.000 0.439 88 L N 0.230 121.507 121.223 0.090 0.000 2.046 88 L HA 0.003 4.333 4.340 -0.017 0.000 0.208 88 L C 2.015 179.000 176.870 0.192 0.000 1.077 88 L CA 2.368 57.304 54.840 0.161 0.000 0.747 88 L CB -1.123 40.996 42.059 0.100 0.000 0.896 88 L HN 0.276 nan 8.230 nan 0.000 0.432 89 G N -1.131 107.729 108.800 0.101 0.000 2.422 89 G HA2 -0.188 3.762 3.960 -0.017 0.000 0.218 89 G HA3 -0.188 3.762 3.960 -0.017 0.000 0.218 89 G C 1.498 176.438 174.900 0.066 0.000 1.146 89 G CA 0.572 45.709 45.100 0.063 0.000 0.769 89 G HN 0.608 nan 8.290 nan 0.000 0.547 90 G N -0.042 108.812 108.800 0.090 0.000 2.421 90 G HA2 -0.238 3.712 3.960 -0.017 0.000 0.216 90 G HA3 -0.238 3.712 3.960 -0.017 0.000 0.216 90 G C 1.559 176.535 174.900 0.127 0.000 1.171 90 G CA 0.975 46.126 45.100 0.086 0.000 0.775 90 G HN 0.445 nan 8.290 nan 0.000 0.543 91 W N 1.552 122.850 121.300 -0.003 0.000 2.333 91 W HA -0.088 4.557 4.660 -0.024 0.000 0.316 91 W C 2.737 179.256 176.519 -0.000 0.000 1.215 91 W CA 1.796 59.143 57.345 0.002 0.000 1.278 91 W CB -0.381 29.085 29.460 0.011 0.000 1.154 91 W HN 0.132 nan 8.180 nan 0.000 0.486 92 R N 0.316 120.769 120.500 -0.077 0.000 2.103 92 R HA -0.217 4.112 4.340 -0.017 0.000 0.242 92 R C 1.778 177.926 176.300 -0.253 0.000 1.142 92 R CA 2.334 58.264 56.100 -0.283 0.000 0.960 92 R CB -0.806 29.444 30.300 -0.082 0.000 0.858 92 R HN 0.148 nan 8.270 nan 0.000 0.439 93 D N -0.024 120.298 120.400 -0.129 0.000 2.117 93 D HA -0.194 4.436 4.640 -0.017 0.000 0.198 93 D C 1.845 178.071 176.300 -0.123 0.000 0.982 93 D CA 0.974 54.912 54.000 -0.104 0.000 0.828 93 D CB -0.283 40.487 40.800 -0.050 0.000 0.967 93 D HN 0.424 nan 8.370 nan 0.000 0.464 94 Q N 0.746 120.472 119.800 -0.123 0.000 2.124 94 Q HA -0.121 4.209 4.340 -0.017 0.000 0.202 94 Q C 2.132 178.024 176.000 -0.179 0.000 0.977 94 Q CA 0.992 56.731 55.803 -0.106 0.000 0.850 94 Q CB 0.178 28.898 28.738 -0.030 0.000 0.901 94 Q HN 0.079 nan 8.270 nan 0.000 0.429 95 V N 0.104 119.812 119.914 -0.342 0.000 2.295 95 V HA -0.243 3.867 4.120 -0.017 0.000 0.246 95 V C 2.369 178.326 176.094 -0.229 0.000 1.049 95 V CA 1.506 63.590 62.300 -0.360 0.000 1.024 95 V CB -0.437 31.011 31.823 -0.624 0.000 0.648 95 V HN 0.240 nan 8.190 nan 0.000 0.447 96 V N 0.022 119.810 119.914 -0.210 0.000 2.295 96 V HA -0.310 3.799 4.120 -0.017 0.000 0.246 96 V C 2.423 178.451 176.094 -0.110 0.000 1.049 96 V CA 2.444 64.658 62.300 -0.144 0.000 1.024 96 V CB -0.705 31.044 31.823 -0.123 0.000 0.648 96 V HN 0.573 nan 8.190 nan 0.000 0.447 97 K N 0.203 120.542 120.400 -0.102 0.000 2.063 97 K HA -0.239 4.071 4.320 -0.017 0.000 0.208 97 K C 2.228 178.782 176.600 -0.076 0.000 1.048 97 K CA 1.692 57.933 56.287 -0.077 0.000 0.928 97 K CB -0.128 32.334 32.500 -0.063 0.000 0.713 97 K HN 0.416 nan 8.250 nan 0.000 0.442 98 K N 0.506 120.856 120.400 -0.083 0.000 2.009 98 K HA -0.140 4.169 4.320 -0.017 0.000 0.210 98 K C 2.203 178.754 176.600 -0.081 0.000 1.049 98 K CA 1.791 58.035 56.287 -0.073 0.000 0.929 98 K CB -0.238 32.219 32.500 -0.071 0.000 0.714 98 K HN 0.158 nan 8.250 nan 0.000 0.440 99 L N 0.869 122.037 121.223 -0.092 0.000 2.046 99 L HA -0.183 4.146 4.340 -0.017 0.000 0.208 99 L C 2.835 179.638 176.870 -0.111 0.000 1.077 99 L CA 1.720 56.503 54.840 -0.095 0.000 0.747 99 L CB -1.150 40.855 42.059 -0.088 0.000 0.896 99 L HN 0.431 nan 8.230 nan 0.000 0.432 100 T N -3.137 111.357 114.554 -0.099 0.000 2.821 100 T HA -0.075 4.265 4.350 -0.017 0.000 0.267 100 T C 1.949 176.585 174.700 -0.107 0.000 1.046 100 T CA 0.959 62.998 62.100 -0.102 0.000 1.139 100 T CB -0.827 67.997 68.868 -0.075 0.000 0.871 100 T HN 0.371 nan 8.240 nan 0.000 0.454 101 G N 1.175 109.922 108.800 -0.088 0.000 2.408 101 G HA2 0.112 4.061 3.960 -0.017 0.000 0.217 101 G HA3 0.112 4.061 3.960 -0.017 0.000 0.217 101 G C 1.708 176.553 174.900 -0.093 0.000 1.150 101 G CA 0.607 45.659 45.100 -0.079 0.000 0.776 101 G HN 0.652 nan 8.290 nan 0.000 0.542 102 G N 0.597 109.335 108.800 -0.103 0.000 2.446 102 G HA2 -0.185 3.764 3.960 -0.017 0.000 0.217 102 G HA3 -0.185 3.764 3.960 -0.017 0.000 0.217 102 G C 1.782 176.587 174.900 -0.159 0.000 1.168 102 G CA 1.256 46.288 45.100 -0.112 0.000 0.771 102 G HN 0.313 nan 8.290 nan 0.000 0.551 103 V N 1.630 121.407 119.914 -0.229 0.000 2.332 103 V HA -0.101 4.008 4.120 -0.017 0.000 0.248 103 V C 3.151 179.116 176.094 -0.215 0.000 1.055 103 V CA 2.033 64.127 62.300 -0.343 0.000 1.038 103 V CB -1.111 30.406 31.823 -0.510 0.000 0.651 103 V HN 0.452 nan 8.190 nan 0.000 0.450 104 G N -0.318 108.392 108.800 -0.150 0.000 2.459 104 G HA2 -0.280 3.669 3.960 -0.017 0.000 0.217 104 G HA3 -0.280 3.669 3.960 -0.017 0.000 0.217 104 G C 1.696 176.545 174.900 -0.084 0.000 1.183 104 G CA 1.663 46.703 45.100 -0.099 0.000 0.776 104 G HN 0.465 nan 8.290 nan 0.000 0.552 105 T N 1.198 115.702 114.554 -0.083 0.000 2.720 105 T HA -0.112 4.228 4.350 -0.017 0.000 0.268 105 T C 2.306 176.964 174.700 -0.069 0.000 1.037 105 T CA 1.066 63.126 62.100 -0.066 0.000 1.144 105 T CB -0.230 68.601 68.868 -0.062 0.000 0.864 105 T HN 0.036 nan 8.240 nan 0.000 0.444 106 L N 0.660 121.826 121.223 -0.094 0.000 2.017 106 L HA 0.034 4.364 4.340 -0.017 0.000 0.208 106 L C 2.324 179.152 176.870 -0.070 0.000 1.073 106 L CA 1.430 56.216 54.840 -0.091 0.000 0.745 106 L CB -1.003 40.975 42.059 -0.135 0.000 0.894 106 L HN 0.287 nan 8.230 nan 0.000 0.432 107 L N -1.041 120.136 121.223 -0.077 0.000 2.046 107 L HA -0.260 4.070 4.340 -0.017 0.000 0.208 107 L C 2.581 179.430 176.870 -0.034 0.000 1.077 107 L CA 1.367 56.179 54.840 -0.047 0.000 0.747 107 L CB -0.478 41.551 42.059 -0.049 0.000 0.896 107 L HN 0.267 nan 8.230 nan 0.000 0.432 108 K N 0.101 120.478 120.400 -0.037 0.000 2.057 108 K HA -0.126 4.183 4.320 -0.017 0.000 0.206 108 K C 1.969 178.557 176.600 -0.020 0.000 1.050 108 K CA 1.279 57.551 56.287 -0.025 0.000 0.935 108 K CB -0.265 32.219 32.500 -0.027 0.000 0.715 108 K HN 0.338 nan 8.250 nan 0.000 0.439 109 G N 0.402 109.185 108.800 -0.027 0.000 2.509 109 G HA2 -0.171 3.778 3.960 -0.017 0.000 0.218 109 G HA3 -0.171 3.778 3.960 -0.017 0.000 0.218 109 G C 1.032 175.921 174.900 -0.018 0.000 1.124 109 G CA 0.428 45.514 45.100 -0.023 0.000 0.776 109 G HN 0.317 nan 8.290 nan 0.000 0.547 110 N N 0.276 118.965 118.700 -0.018 0.000 2.236 110 N HA 0.100 4.830 4.740 -0.017 0.000 0.196 110 N C 1.435 176.943 175.510 -0.003 0.000 1.114 110 N CA 0.660 53.702 53.050 -0.013 0.000 0.859 110 N CB 0.728 39.205 38.487 -0.017 0.000 0.982 110 N HN 0.317 nan 8.380 nan 0.000 0.493 111 G N 1.074 109.874 108.800 0.000 0.000 2.176 111 G HA2 -0.244 3.705 3.960 -0.017 0.000 0.252 111 G HA3 -0.244 3.705 3.960 -0.017 0.000 0.252 111 G C -0.060 174.852 174.900 0.020 0.000 1.024 111 G CA 0.019 45.126 45.100 0.012 0.000 0.755 111 G HN 0.150 nan 8.290 nan 0.000 0.507 112 V N 0.043 119.960 119.914 0.005 0.000 2.567 112 V HA 0.468 4.578 4.120 -0.017 0.000 0.289 112 V C 0.703 176.792 176.094 -0.008 0.000 1.049 112 V CA -0.487 61.812 62.300 -0.002 0.000 0.969 112 V CB 1.880 33.693 31.823 -0.017 0.000 0.995 112 V HN 0.433 nan 8.190 nan 0.000 0.471 113 E N 3.097 123.285 120.200 -0.021 0.000 2.167 113 E HA 0.384 4.724 4.350 -0.017 0.000 0.284 113 E C -1.116 175.432 176.600 -0.087 0.000 1.016 113 E CA -0.730 55.654 56.400 -0.026 0.000 0.817 113 E CB 1.328 31.043 29.700 0.024 0.000 1.080 113 E HN 0.532 nan 8.360 nan 0.000 0.397 114 L N 6.449 127.636 121.223 -0.061 0.000 2.257 114 L HA 0.358 4.687 4.340 -0.017 0.000 0.290 114 L C -1.585 175.237 176.870 -0.080 0.000 1.044 114 L CA -0.548 54.247 54.840 -0.075 0.000 0.810 114 L CB 1.052 43.081 42.059 -0.051 0.000 1.193 114 L HN 0.495 nan 8.230 nan 0.000 0.425 115 L N 5.847 126.997 121.223 -0.122 0.000 2.333 115 L HA 0.611 4.940 4.340 -0.017 0.000 0.280 115 L C -0.745 176.066 176.870 -0.097 0.000 1.004 115 L CA -0.382 54.384 54.840 -0.125 0.000 0.820 115 L CB 1.049 42.962 42.059 -0.242 0.000 1.247 115 L HN 0.524 nan 8.230 nan 0.000 0.416 116 R N 4.156 124.625 120.500 -0.053 0.000 2.254 116 R HA 0.852 5.182 4.340 -0.017 0.000 0.318 116 R C 0.004 176.297 176.300 -0.013 0.000 1.031 116 R CA -0.230 55.853 56.100 -0.029 0.000 0.905 116 R CB 0.775 31.068 30.300 -0.012 0.000 1.050 116 R HN 0.934 nan 8.270 nan 0.000 0.456 117 G N 1.786 110.587 108.800 0.002 0.000 2.345 117 G HA2 0.030 3.980 3.960 -0.017 0.000 0.310 117 G HA3 0.030 3.980 3.960 -0.017 0.000 0.310 117 G C -1.774 173.167 174.900 0.070 0.000 1.476 117 G CA -1.082 44.046 45.100 0.046 0.000 0.978 117 G HN 0.325 nan 8.290 nan 0.000 0.656 118 F N 1.746 121.685 119.950 -0.018 0.000 2.456 118 F HA 0.648 5.164 4.527 -0.017 0.000 0.358 118 F C 0.656 176.448 175.800 -0.014 0.000 1.095 118 F CA 0.336 58.327 58.000 -0.016 0.000 1.216 118 F CB 1.055 40.050 39.000 -0.008 0.000 1.125 118 F HN 0.854 nan 8.300 nan 0.000 0.549 119 A N 7.783 130.217 122.820 -0.643 0.000 2.304 119 A HA 0.648 4.958 4.320 -0.017 0.000 0.323 119 A C -0.674 176.598 177.584 -0.520 0.000 1.195 119 A CA -0.910 50.872 52.037 -0.426 0.000 0.826 119 A CB 0.642 19.453 19.000 -0.316 0.000 1.184 119 A HN 0.851 nan 8.150 nan 0.000 0.496 120 R N 2.124 122.518 120.500 -0.177 0.000 2.589 120 R HA 0.633 4.963 4.340 -0.017 0.000 0.293 120 R C -1.462 174.816 176.300 -0.036 0.000 0.963 120 R CA -0.818 55.245 56.100 -0.062 0.000 0.905 120 R CB 1.142 31.496 30.300 0.090 0.000 1.144 120 R HN 0.456 nan 8.270 nan 0.000 0.459 121 L N 4.246 125.455 121.223 -0.024 0.000 2.334 121 L HA 0.106 4.435 4.340 -0.017 0.000 0.286 121 L C 0.685 177.566 176.870 0.018 0.000 1.108 121 L CA 0.036 54.872 54.840 -0.006 0.000 0.875 121 L CB 1.213 43.266 42.059 -0.010 0.000 1.246 121 L HN 0.713 nan 8.230 nan 0.000 0.439 122 V N 4.094 124.026 119.914 0.030 0.000 2.515 122 V HA 0.185 4.295 4.120 -0.017 0.000 0.250 122 V C 1.278 177.389 176.094 0.029 0.000 1.058 122 V CA 1.293 63.614 62.300 0.036 0.000 1.064 122 V CB -1.150 30.700 31.823 0.045 0.000 0.675 122 V HN 0.911 nan 8.190 nan 0.000 0.461 123 G N -2.405 106.411 108.800 0.027 0.000 2.441 123 G HA2 0.372 4.321 3.960 -0.017 0.000 0.294 123 G HA3 0.372 4.321 3.960 -0.017 0.000 0.294 123 G C -2.723 172.190 174.900 0.022 0.000 1.393 123 G CA -0.138 44.975 45.100 0.022 0.000 0.796 123 G HN -0.058 nan 8.290 nan 0.000 0.494 124 P HA -0.147 nan 4.420 nan 0.000 0.217 124 P C 1.203 178.521 177.300 0.030 0.000 1.162 124 P CA 1.703 64.812 63.100 0.016 0.000 0.901 124 P CB 0.238 31.944 31.700 0.009 0.000 0.793 125 K N -0.871 119.551 120.400 0.037 0.000 2.399 125 K HA 0.216 4.526 4.320 -0.017 0.000 0.204 125 K C 0.405 177.044 176.600 0.066 0.000 1.023 125 K CA 0.113 56.432 56.287 0.053 0.000 1.127 125 K CB 0.717 33.247 32.500 0.050 0.000 0.856 125 K HN 0.345 nan 8.250 nan 0.000 0.514 126 E N 0.354 120.590 120.200 0.060 0.000 2.367 126 E HA 0.474 4.814 4.350 -0.017 0.000 0.273 126 E C -1.481 175.162 176.600 0.073 0.000 0.903 126 E CA -0.784 55.661 56.400 0.076 0.000 0.764 126 E CB 2.181 31.918 29.700 0.061 0.000 1.252 126 E HN -0.228 nan 8.360 nan 0.000 0.446 127 V N 2.191 122.170 119.914 0.109 0.000 3.012 127 V HA 0.328 4.438 4.120 -0.017 0.000 0.307 127 V C -1.062 175.131 176.094 0.164 0.000 1.166 127 V CA -0.833 61.521 62.300 0.090 0.000 0.974 127 V CB 2.051 33.895 31.823 0.036 0.000 1.040 127 V HN 0.760 nan 8.190 nan 0.000 0.428 128 E N 2.487 122.757 120.200 0.117 0.000 2.183 128 E HA 0.812 5.152 4.350 -0.017 0.000 0.271 128 E C -1.720 174.960 176.600 0.133 0.000 0.919 128 E CA -0.346 56.151 56.400 0.160 0.000 0.781 128 E CB 2.166 31.932 29.700 0.111 0.000 1.140 128 E HN 0.455 nan 8.360 nan 0.000 0.402 135 G N 0.101 108.964 108.800 0.106 0.000 2.399 135 G HA2 -0.239 3.711 3.960 -0.017 0.000 0.216 135 G HA3 -0.239 3.711 3.960 -0.017 0.000 0.216 135 G C 0.247 175.190 174.900 0.073 0.000 1.096 135 G CA 0.196 45.343 45.100 0.078 0.000 0.650 135 G HN 0.526 nan 8.290 nan 0.000 0.512 136 E N 1.570 121.829 120.200 0.098 0.000 2.404 136 E HA 0.439 4.779 4.350 -0.017 0.000 0.261 136 E C 0.442 177.051 176.600 0.014 0.000 1.074 136 E CA 0.094 56.503 56.400 0.014 0.000 0.917 136 E CB 0.593 30.298 29.700 0.007 0.000 0.965 136 E HN 0.378 nan 8.360 nan 0.000 0.433 137 R N 1.275 121.650 120.500 -0.209 0.000 2.732 137 R HA 0.522 4.852 4.340 -0.017 0.000 0.278 137 R C -0.671 175.398 176.300 -0.384 0.000 0.976 137 R CA -0.800 55.239 56.100 -0.101 0.000 0.963 137 R CB 0.685 30.952 30.300 -0.055 0.000 1.150 137 R HN 0.457 nan 8.270 nan 0.000 0.478 138 Y N -1.501 118.840 120.300 0.068 0.000 2.479 138 Y HA 0.571 5.112 4.550 -0.016 0.000 0.338 138 Y C 0.545 176.512 175.900 0.111 0.000 1.055 138 Y CA -0.923 57.250 58.100 0.121 0.000 1.023 138 Y CB 2.614 41.157 38.460 0.138 0.000 1.287 138 Y HN 0.755 nan 8.280 nan 0.000 0.447 139 G N 0.550 109.511 108.800 0.268 0.000 2.537 139 G HA2 0.896 4.845 3.960 -0.017 0.000 0.308 139 G HA3 0.896 4.845 3.960 -0.017 0.000 0.308 139 G C -1.541 173.492 174.900 0.222 0.000 1.237 139 G CA -0.722 44.488 45.100 0.184 0.000 0.968 139 G HN 0.969 nan 8.290 nan 0.000 0.481 140 A N 0.455 123.369 122.820 0.156 0.000 2.590 140 A HA 0.617 4.926 4.320 -0.017 0.000 0.294 140 A C 0.536 178.183 177.584 0.105 0.000 1.046 140 A CA -0.290 51.839 52.037 0.153 0.000 0.684 140 A CB 1.231 20.341 19.000 0.183 0.000 1.279 140 A HN 0.728 nan 8.150 nan 0.000 0.415 141 K N 0.154 120.611 120.400 0.095 0.000 2.217 141 K HA 0.099 4.409 4.320 -0.017 0.000 0.202 141 K C 0.091 176.750 176.600 0.098 0.000 1.051 141 K CA 1.607 57.943 56.287 0.082 0.000 0.952 141 K CB -0.036 32.507 32.500 0.072 0.000 0.736 141 K HN 0.605 nan 8.250 nan 0.000 0.453 142 S N 0.166 115.934 115.700 0.114 0.000 2.536 142 S HA 0.505 4.965 4.470 -0.017 0.000 0.287 142 S C -1.090 173.588 174.600 0.130 0.000 1.101 142 S CA -0.860 57.431 58.200 0.153 0.000 0.950 142 S CB 1.846 65.149 63.200 0.172 0.000 1.056 142 S HN 0.114 nan 8.310 nan 0.000 0.481 143 L N 3.160 124.477 121.223 0.157 0.000 2.385 143 L HA 0.627 4.957 4.340 -0.017 0.000 0.273 143 L C -1.131 175.832 176.870 0.156 0.000 0.990 143 L CA -0.606 54.298 54.840 0.108 0.000 0.821 143 L CB 1.637 43.736 42.059 0.067 0.000 1.279 143 L HN 0.524 nan 8.230 nan 0.000 0.412 144 I N 4.252 124.876 120.570 0.090 0.000 2.389 144 I HA 0.348 4.508 4.170 -0.017 0.000 0.288 144 I C -0.505 175.637 176.117 0.042 0.000 0.999 144 I CA -0.502 60.855 61.300 0.094 0.000 1.129 144 I CB 1.899 39.918 38.000 0.032 0.000 1.288 144 I HN 0.368 nan 8.210 nan 0.000 0.444 145 L N 6.575 127.829 121.223 0.051 0.000 2.265 145 L HA 0.600 4.929 4.340 -0.017 0.000 0.288 145 L C 0.442 177.320 176.870 0.013 0.000 1.058 145 L CA -0.249 54.600 54.840 0.015 0.000 0.809 145 L CB 1.170 43.239 42.059 0.017 0.000 1.179 145 L HN 0.719 nan 8.230 nan 0.000 0.429 146 A N 1.158 123.974 122.820 -0.008 0.000 3.365 146 A HA 0.303 4.613 4.320 -0.017 0.000 0.258 146 A C 0.767 178.343 177.584 -0.012 0.000 0.964 146 A CA -0.305 51.727 52.037 -0.008 0.000 0.988 146 A CB -0.027 18.963 19.000 -0.016 0.000 1.193 146 A HN 0.738 nan 8.150 nan 0.000 0.508 147 T N -2.460 112.089 114.554 -0.009 0.000 3.129 147 T HA 0.440 4.780 4.350 -0.017 0.000 0.251 147 T C 1.313 176.020 174.700 0.011 0.000 1.117 147 T CA 0.937 63.032 62.100 -0.009 0.000 1.034 147 T CB -0.289 68.569 68.868 -0.017 0.000 0.968 147 T HN 2.090 nan 8.240 nan 0.000 0.526 148 G N 1.679 110.489 108.800 0.017 0.000 2.601 148 G HA2 -0.065 3.885 3.960 -0.017 0.000 0.252 148 G HA3 -0.065 3.885 3.960 -0.017 0.000 0.252 148 G C -0.064 174.856 174.900 0.034 0.000 1.294 148 G CA 0.026 45.142 45.100 0.026 0.000 0.912 148 G HN 1.548 nan 8.290 nan 0.000 0.574 149 S N -0.964 114.755 115.700 0.031 0.000 2.806 149 S HA 0.862 5.322 4.470 -0.017 0.000 0.306 149 S C -0.616 173.989 174.600 0.009 0.000 1.167 149 S CA 0.362 58.576 58.200 0.022 0.000 0.847 149 S CB 2.431 65.666 63.200 0.058 0.000 1.216 149 S HN 1.794 nan 8.310 nan 0.000 0.532 150 E N -0.922 119.277 120.200 -0.000 0.000 2.429 150 E HA 0.593 4.933 4.350 -0.017 0.000 0.276 150 E C -3.381 173.216 176.600 -0.006 0.000 0.953 150 E CA -2.633 53.758 56.400 -0.015 0.000 0.787 150 E CB 1.014 30.700 29.700 -0.023 0.000 1.307 150 E HN 0.277 nan 8.360 nan 0.000 0.458 151 P HA -0.031 nan 4.420 nan 0.000 0.262 151 P C -0.775 176.597 177.300 0.120 0.000 1.182 151 P CA -0.200 62.899 63.100 -0.003 0.000 0.761 151 P CB 0.230 31.807 31.700 -0.206 0.000 0.795 152 L N 3.706 125.030 121.223 0.169 0.000 2.313 152 L HA 0.200 4.529 4.340 -0.017 0.000 0.282 152 L C 0.587 177.623 176.870 0.276 0.000 1.092 152 L CA -0.203 54.740 54.840 0.172 0.000 0.831 152 L CB -0.180 41.939 42.059 0.100 0.000 1.159 152 L HN 0.340 nan 8.230 nan 0.000 0.442 153 E N 3.556 123.913 120.200 0.261 0.000 2.404 153 E HA 0.289 4.629 4.350 -0.017 0.000 0.261 153 E C -1.308 175.277 176.600 -0.023 0.000 1.074 153 E CA -0.477 55.988 56.400 0.109 0.000 0.917 153 E CB 0.907 30.671 29.700 0.106 0.000 0.965 153 E HN 0.602 nan 8.360 nan 0.000 0.433 154 L N 3.478 124.622 121.223 -0.133 0.000 2.362 154 L HA 0.339 4.669 4.340 -0.017 0.000 0.275 154 L C -0.694 176.198 176.870 0.036 0.000 0.998 154 L CA -0.497 54.323 54.840 -0.035 0.000 0.820 154 L CB 1.441 43.470 42.059 -0.050 0.000 1.270 154 L HN 0.521 nan 8.230 nan 0.000 0.415 155 K N 4.008 124.440 120.400 0.054 0.000 2.472 155 K HA 0.360 4.669 4.320 -0.017 0.000 0.280 155 K C 0.969 177.633 176.600 0.107 0.000 1.028 155 K CA 1.210 57.529 56.287 0.053 0.000 1.045 155 K CB 0.039 32.559 32.500 0.034 0.000 0.902 155 K HN 0.979 nan 8.250 nan 0.000 0.478 156 G N 3.833 112.631 108.800 -0.003 0.000 2.217 156 G HA2 -0.256 3.693 3.960 -0.017 0.000 0.246 156 G HA3 -0.256 3.693 3.960 -0.017 0.000 0.246 156 G C 0.045 174.697 174.900 -0.413 0.000 0.990 156 G CA 0.120 45.114 45.100 -0.177 0.000 0.627 156 G HN 0.598 nan 8.290 nan 0.000 0.522 157 F N 2.743 122.690 119.950 -0.005 0.000 2.577 157 F HA 0.366 4.883 4.527 -0.016 0.000 0.342 157 F C -1.868 173.806 175.800 -0.211 0.000 1.479 157 F CA -1.744 56.227 58.000 -0.048 0.000 1.110 157 F CB 1.512 40.422 39.000 -0.149 0.000 1.306 157 F HN -0.070 nan 8.300 nan 0.000 0.554 158 P HA -0.030 nan 4.420 nan 0.000 0.268 158 P C -0.260 176.991 177.300 -0.083 0.000 1.205 158 P CA 0.039 63.078 63.100 -0.101 0.000 0.771 158 P CB 0.742 32.441 31.700 -0.002 0.000 0.858 159 F N 1.719 121.734 119.950 0.109 0.000 2.578 159 F HA 0.426 4.943 4.527 -0.017 0.000 0.376 159 F C 1.670 177.537 175.800 0.112 0.000 1.085 159 F CA 1.592 59.660 58.000 0.113 0.000 1.260 159 F CB -0.053 39.004 39.000 0.094 0.000 1.095 159 F HN 0.536 nan 8.300 nan 0.000 0.573 160 G N 2.217 111.217 108.800 0.333 0.000 2.578 160 G HA2 0.180 4.130 3.960 -0.017 0.000 0.302 160 G HA3 0.180 4.130 3.960 -0.017 0.000 0.302 160 G C 0.100 175.163 174.900 0.271 0.000 1.243 160 G CA -0.535 44.709 45.100 0.239 0.000 0.843 160 G HN 0.269 nan 8.290 nan 0.000 0.486 161 E N 0.274 120.604 120.200 0.217 0.000 2.153 161 E HA -0.065 4.274 4.350 -0.017 0.000 0.194 161 E C 1.092 177.878 176.600 0.310 0.000 0.988 161 E CA 1.265 57.816 56.400 0.252 0.000 0.811 161 E CB 0.116 29.920 29.700 0.173 0.000 0.746 161 E HN 0.460 nan 8.360 nan 0.000 0.466 162 D N -0.310 120.190 120.400 0.166 0.000 2.369 162 D HA 0.051 4.681 4.640 -0.017 0.000 0.211 162 D C -0.136 176.053 176.300 -0.184 0.000 1.077 162 D CA 0.123 54.112 54.000 -0.018 0.000 0.842 162 D CB 1.350 42.137 40.800 -0.021 0.000 0.947 162 D HN -0.097 nan 8.370 nan 0.000 0.509 163 V N 2.512 122.442 119.914 0.027 0.000 2.325 163 V HA 0.198 4.308 4.120 -0.017 0.000 0.280 163 V C -0.570 175.758 176.094 0.390 0.000 1.016 163 V CA -0.916 61.405 62.300 0.035 0.000 0.818 163 V CB 1.190 33.033 31.823 0.033 0.000 1.019 163 V HN -0.001 nan 8.190 nan 0.000 0.434 164 W N 2.834 124.222 121.300 0.148 0.000 2.359 164 W HA 0.580 5.229 4.660 -0.018 0.000 0.344 164 W C 0.246 176.929 176.519 0.275 0.000 1.170 164 W CA -1.229 56.220 57.345 0.174 0.000 1.296 164 W CB 0.816 30.302 29.460 0.043 0.000 1.197 164 W HN 0.671 nan 8.180 nan 0.000 0.618 165 D N -1.398 119.176 120.400 0.290 0.000 2.442 165 D HA 0.217 4.847 4.640 -0.017 0.000 0.254 165 D C 1.133 177.469 176.300 0.061 0.000 1.069 165 D CA -0.474 53.539 54.000 0.022 0.000 1.017 165 D CB 0.344 40.741 40.800 -0.672 0.000 1.172 165 D HN 0.209 nan 8.370 nan 0.000 0.561 166 S N -0.419 115.299 115.700 0.030 0.000 2.387 166 S HA -0.242 4.218 4.470 -0.017 0.000 0.230 166 S C 1.733 176.336 174.600 0.005 0.000 1.035 166 S CA 1.797 60.025 58.200 0.047 0.000 1.014 166 S CB -1.292 61.931 63.200 0.038 0.000 0.836 166 S HN 0.604 nan 8.310 nan 0.000 0.466 167 T N 2.263 116.783 114.554 -0.057 0.000 2.652 167 T HA -0.119 4.221 4.350 -0.017 0.000 0.267 167 T C 1.953 176.587 174.700 -0.110 0.000 1.039 167 T CA 1.895 63.947 62.100 -0.080 0.000 1.153 167 T CB -0.408 68.395 68.868 -0.108 0.000 0.863 167 T HN 0.495 nan 8.240 nan 0.000 0.428 168 R N 1.847 122.250 120.500 -0.162 0.000 2.096 168 R HA 0.131 4.461 4.340 -0.017 0.000 0.235 168 R C 2.283 178.357 176.300 -0.376 0.000 1.127 168 R CA 1.653 57.554 56.100 -0.332 0.000 0.968 168 R CB -0.994 29.006 30.300 -0.500 0.000 0.861 168 R HN 0.335 nan 8.270 nan 0.000 0.440 169 A N 0.472 123.228 122.820 -0.107 0.000 2.070 169 A HA -0.059 4.251 4.320 -0.017 0.000 0.220 169 A C 2.117 179.815 177.584 0.190 0.000 1.159 169 A CA 1.296 53.417 52.037 0.140 0.000 0.656 169 A CB -0.550 18.623 19.000 0.289 0.000 0.800 169 A HN 0.385 nan 8.150 nan 0.000 0.453 170 L N -0.816 120.437 121.223 0.050 0.000 2.217 170 L HA -0.086 4.244 4.340 -0.017 0.000 0.211 170 L C 0.766 177.631 176.870 -0.008 0.000 1.107 170 L CA 0.830 55.691 54.840 0.035 0.000 0.783 170 L CB -0.280 41.774 42.059 -0.007 0.000 0.919 170 L HN 0.266 nan 8.230 nan 0.000 0.442 171 K N 1.158 121.517 120.400 -0.068 0.000 2.480 171 K HA 0.059 4.369 4.320 -0.017 0.000 0.241 171 K C 1.388 177.956 176.600 -0.052 0.000 1.261 171 K CA -0.176 56.062 56.287 -0.081 0.000 1.193 171 K CB 0.259 32.677 32.500 -0.136 0.000 1.598 171 K HN 0.134 nan 8.250 nan 0.000 0.278 172 V N -0.958 118.943 119.914 -0.022 0.000 2.828 172 V HA -0.188 3.922 4.120 -0.017 0.000 0.260 172 V C 1.235 177.328 176.094 -0.001 0.000 1.101 172 V CA 1.143 63.427 62.300 -0.027 0.000 1.123 172 V CB -0.681 31.059 31.823 -0.139 0.000 0.704 172 V HN 0.551 nan 8.190 nan 0.000 0.493 173 E N 2.463 122.660 120.200 -0.005 0.000 2.676 173 E HA 0.204 4.543 4.350 -0.017 0.000 0.318 173 E C 0.590 177.198 176.600 0.013 0.000 1.514 173 E CA 0.326 56.730 56.400 0.007 0.000 1.667 173 E CB -0.273 29.431 29.700 0.006 0.000 1.336 173 E HN 0.553 nan 8.360 nan 0.000 0.492 174 G N 2.127 110.985 108.800 0.096 0.000 2.448 174 G HA2 0.318 4.268 3.960 -0.017 0.000 0.309 174 G HA3 0.318 4.268 3.960 -0.017 0.000 0.309 174 G C -0.523 174.534 174.900 0.261 0.000 1.027 174 G CA -0.629 44.565 45.100 0.157 0.000 1.104 174 G HN 0.323 nan 8.290 nan 0.000 0.428 175 L N 5.584 126.937 121.223 0.217 0.000 2.361 175 L HA 0.353 4.683 4.340 -0.017 0.000 0.278 175 L C -1.330 175.690 176.870 0.250 0.000 1.113 175 L CA -1.760 53.250 54.840 0.284 0.000 0.849 175 L CB 0.905 43.064 42.059 0.167 0.000 1.155 175 L HN 0.375 nan 8.230 nan 0.000 0.452 176 P HA 0.171 nan 4.420 nan 0.000 0.278 176 P C -0.119 177.236 177.300 0.090 0.000 1.238 176 P CA -0.489 62.682 63.100 0.119 0.000 0.794 176 P CB 1.108 32.793 31.700 -0.025 0.000 0.955 177 K N 1.338 121.767 120.400 0.050 0.000 2.097 177 K HA -0.062 4.248 4.320 -0.017 0.000 0.206 177 K C 0.617 177.228 176.600 0.018 0.000 1.049 177 K CA 1.206 57.516 56.287 0.038 0.000 0.933 177 K CB 0.030 32.544 32.500 0.024 0.000 0.717 177 K HN 0.468 nan 8.250 nan 0.000 0.442 178 R N 0.435 120.924 120.500 -0.019 0.000 2.532 178 R HA 0.375 4.704 4.340 -0.017 0.000 0.297 178 R C -1.499 174.737 176.300 -0.106 0.000 0.984 178 R CA -0.656 55.415 56.100 -0.047 0.000 0.884 178 R CB 1.833 32.100 30.300 -0.054 0.000 1.182 178 R HN -0.090 nan 8.270 nan 0.000 0.442 179 L N 3.204 124.359 121.223 -0.114 0.000 2.365 179 L HA 0.573 4.903 4.340 -0.017 0.000 0.273 179 L C -1.724 175.042 176.870 -0.173 0.000 1.000 179 L CA -0.958 53.761 54.840 -0.202 0.000 0.819 179 L CB 1.902 43.815 42.059 -0.243 0.000 1.284 179 L HN 0.576 nan 8.230 nan 0.000 0.418 180 L N 5.591 126.685 121.223 -0.215 0.000 2.305 180 L HA 0.678 5.007 4.340 -0.017 0.000 0.284 180 L C -1.248 175.504 176.870 -0.198 0.000 1.013 180 L CA -0.260 54.471 54.840 -0.181 0.000 0.819 180 L CB 1.746 43.695 42.059 -0.183 0.000 1.227 180 L HN 0.416 nan 8.230 nan 0.000 0.417 181 V N 6.884 126.708 119.914 -0.150 0.000 2.370 181 V HA 0.438 4.547 4.120 -0.017 0.000 0.283 181 V C 0.127 176.141 176.094 -0.132 0.000 1.023 181 V CA -0.392 61.831 62.300 -0.128 0.000 0.857 181 V CB 1.383 33.160 31.823 -0.077 0.000 0.985 181 V HN 0.582 nan 8.190 nan 0.000 0.443 182 I N 4.640 125.115 120.570 -0.158 0.000 2.328 182 I HA 0.745 4.905 4.170 -0.017 0.000 0.287 182 I C 0.624 176.684 176.117 -0.096 0.000 1.012 182 I CA -0.132 61.066 61.300 -0.170 0.000 1.195 182 I CB 1.352 39.171 38.000 -0.302 0.000 1.350 182 I HN 0.842 nan 8.210 nan 0.000 0.464 183 G N 3.458 112.220 108.800 -0.064 0.000 3.162 183 G HA2 0.085 4.034 3.960 -0.017 0.000 0.599 183 G HA3 0.085 4.034 3.960 -0.017 0.000 0.599 183 G C -0.096 174.788 174.900 -0.027 0.000 1.335 183 G CA -0.576 44.504 45.100 -0.033 0.000 1.091 183 G HN 0.889 nan 8.290 nan 0.000 0.570 184 G N 0.435 109.219 108.800 -0.027 0.000 3.678 184 G HA2 0.637 4.587 3.960 -0.017 0.000 0.287 184 G HA3 0.637 4.587 3.960 -0.017 0.000 0.287 184 G C 0.785 175.651 174.900 -0.057 0.000 1.280 184 G CA 0.823 45.898 45.100 -0.041 0.000 1.118 184 G HN 1.166 nan 8.290 nan 0.000 0.563 185 G N -1.252 107.526 108.800 -0.037 0.000 2.613 185 G HA2 0.515 4.464 3.960 -0.017 0.000 0.303 185 G HA3 0.515 4.464 3.960 -0.017 0.000 0.303 185 G C 1.248 176.137 174.900 -0.019 0.000 1.312 185 G CA 0.218 45.293 45.100 -0.041 0.000 1.036 185 G HN 0.308 nan 8.290 nan 0.000 0.513 186 A N -1.090 121.731 122.820 0.001 0.000 1.903 186 A HA -0.080 4.230 4.320 -0.017 0.000 0.219 186 A C 2.532 180.162 177.584 0.077 0.000 1.191 186 A CA 2.451 54.520 52.037 0.053 0.000 0.638 186 A CB -0.881 18.180 19.000 0.102 0.000 0.823 186 A HN 0.601 nan 8.150 nan 0.000 0.451 187 V N -0.221 119.735 119.914 0.069 0.000 2.295 187 V HA -0.179 3.931 4.120 -0.017 0.000 0.246 187 V C 2.845 178.982 176.094 0.071 0.000 1.049 187 V CA 2.063 64.409 62.300 0.076 0.000 1.024 187 V CB -1.591 30.272 31.823 0.067 0.000 0.648 187 V HN 0.632 nan 8.190 nan 0.000 0.447 188 G N -0.179 108.650 108.800 0.047 0.000 2.421 188 G HA2 -0.205 3.744 3.960 -0.017 0.000 0.216 188 G HA3 -0.205 3.744 3.960 -0.017 0.000 0.216 188 G C 1.594 176.518 174.900 0.040 0.000 1.171 188 G CA 1.048 46.168 45.100 0.034 0.000 0.775 188 G HN 0.460 nan 8.290 nan 0.000 0.543 189 L N -0.002 121.242 121.223 0.034 0.000 2.017 189 L HA -0.054 4.276 4.340 -0.017 0.000 0.208 189 L C 2.904 179.818 176.870 0.073 0.000 1.073 189 L CA 1.398 56.261 54.840 0.037 0.000 0.745 189 L CB -0.498 41.571 42.059 0.017 0.000 0.894 189 L HN 0.272 nan 8.230 nan 0.000 0.432 190 E N 0.247 120.505 120.200 0.097 0.000 2.031 190 E HA -0.211 4.128 4.350 -0.017 0.000 0.193 190 E C 2.345 179.027 176.600 0.137 0.000 0.994 190 E CA 1.181 57.655 56.400 0.124 0.000 0.800 190 E CB -0.168 29.620 29.700 0.146 0.000 0.752 190 E HN 0.412 nan 8.360 nan 0.000 0.447 191 L N 0.278 121.591 121.223 0.150 0.000 2.093 191 L HA -0.084 4.246 4.340 -0.017 0.000 0.208 191 L C 2.565 179.600 176.870 0.275 0.000 1.085 191 L CA 1.021 55.999 54.840 0.229 0.000 0.755 191 L CB -0.653 41.537 42.059 0.217 0.000 0.904 191 L HN 0.249 nan 8.230 nan 0.000 0.435 192 G N -0.669 108.226 108.800 0.158 0.000 2.446 192 G HA2 -0.336 3.614 3.960 -0.017 0.000 0.217 192 G HA3 -0.336 3.614 3.960 -0.017 0.000 0.217 192 G C 1.515 176.504 174.900 0.149 0.000 1.168 192 G CA 0.768 45.945 45.100 0.128 0.000 0.771 192 G HN 0.390 nan 8.290 nan 0.000 0.551 193 Q N -0.201 119.667 119.800 0.113 0.000 2.119 193 Q HA -0.042 4.288 4.340 -0.017 0.000 0.201 193 Q C 2.646 178.700 176.000 0.089 0.000 0.972 193 Q CA 1.176 57.026 55.803 0.080 0.000 0.847 193 Q CB -0.101 28.668 28.738 0.051 0.000 0.903 193 Q HN 0.314 nan 8.270 nan 0.000 0.433 194 V N 0.205 120.190 119.914 0.118 0.000 2.295 194 V HA -0.278 3.832 4.120 -0.017 0.000 0.246 194 V C 1.779 177.877 176.094 0.007 0.000 1.049 194 V CA 1.944 64.279 62.300 0.058 0.000 1.024 194 V CB -0.729 31.124 31.823 0.050 0.000 0.648 194 V HN 0.451 nan 8.190 nan 0.000 0.447 195 Y N 0.124 120.466 120.300 0.070 0.000 2.224 195 Y HA -0.247 4.293 4.550 -0.018 0.000 0.289 195 Y C 2.719 178.651 175.900 0.054 0.000 1.146 195 Y CA 2.116 60.259 58.100 0.072 0.000 1.182 195 Y CB -0.286 38.221 38.460 0.080 0.000 0.983 195 Y HN 0.126 nan 8.280 nan 0.000 0.524 196 R N 1.026 121.630 120.500 0.173 0.000 2.073 196 R HA -0.114 4.216 4.340 -0.017 0.000 0.234 196 R C 2.008 178.355 176.300 0.078 0.000 1.134 196 R CA 1.674 57.838 56.100 0.107 0.000 0.952 196 R CB -0.399 29.947 30.300 0.077 0.000 0.850 196 R HN 0.204 nan 8.270 nan 0.000 0.433 197 R N -0.175 120.362 120.500 0.062 0.000 2.189 197 R HA 0.027 4.357 4.340 -0.017 0.000 0.223 197 R C 1.726 178.051 176.300 0.042 0.000 1.092 197 R CA 1.023 57.162 56.100 0.065 0.000 0.989 197 R CB -0.168 30.165 30.300 0.054 0.000 0.876 197 R HN 0.266 nan 8.270 nan 0.000 0.457 198 L N -0.690 120.539 121.223 0.010 0.000 2.591 198 L HA 0.162 4.492 4.340 -0.017 0.000 0.228 198 L C 1.087 177.968 176.870 0.019 0.000 1.133 198 L CA 0.465 55.295 54.840 -0.016 0.000 0.880 198 L CB 0.331 42.328 42.059 -0.103 0.000 1.033 198 L HN 0.465 nan 8.230 nan 0.000 0.450 199 G N -0.360 108.468 108.800 0.046 0.000 2.184 199 G HA2 -0.184 3.766 3.960 -0.017 0.000 0.206 199 G HA3 -0.184 3.766 3.960 -0.017 0.000 0.206 199 G C 0.287 175.229 174.900 0.070 0.000 0.995 199 G CA -0.120 45.012 45.100 0.053 0.000 0.651 199 G HN 0.426 nan 8.290 nan 0.000 0.511 200 A N 0.085 122.968 122.820 0.104 0.000 2.286 200 A HA 0.724 5.034 4.320 -0.017 0.000 0.286 200 A C 0.308 177.941 177.584 0.080 0.000 1.097 200 A CA -0.237 51.867 52.037 0.112 0.000 0.821 200 A CB 0.558 19.675 19.000 0.194 0.000 1.076 200 A HN 0.352 nan 8.150 nan 0.000 0.490 201 E N -0.034 120.195 120.200 0.048 0.000 2.331 201 E HA 0.450 4.790 4.350 -0.017 0.000 0.272 201 E C -1.150 175.460 176.600 0.017 0.000 1.036 201 E CA -0.183 56.233 56.400 0.026 0.000 0.864 201 E CB 1.363 31.067 29.700 0.007 0.000 1.035 201 E HN 0.331 nan 8.360 nan 0.000 0.408 202 V N 2.655 122.577 119.914 0.014 0.000 2.577 202 V HA 0.291 4.401 4.120 -0.017 0.000 0.303 202 V C -0.282 175.801 176.094 -0.018 0.000 1.042 202 V CA -0.723 61.576 62.300 -0.002 0.000 0.872 202 V CB 2.223 34.065 31.823 0.031 0.000 0.998 202 V HN 0.650 nan 8.190 nan 0.000 0.423 203 T N 5.734 120.262 114.554 -0.042 0.000 2.824 203 T HA 0.689 5.029 4.350 -0.017 0.000 0.282 203 T C -0.859 173.807 174.700 -0.057 0.000 0.993 203 T CA -0.296 61.777 62.100 -0.045 0.000 0.967 203 T CB 1.492 70.329 68.868 -0.052 0.000 0.960 203 T HN 0.565 nan 8.240 nan 0.000 0.441 204 L N 5.511 126.706 121.223 -0.047 0.000 2.362 204 L HA 0.795 5.125 4.340 -0.017 0.000 0.275 204 L C -1.015 175.824 176.870 -0.053 0.000 0.998 204 L CA -1.014 53.794 54.840 -0.053 0.000 0.820 204 L CB 1.049 43.087 42.059 -0.035 0.000 1.270 204 L HN 0.755 nan 8.230 nan 0.000 0.415 205 I N 1.107 121.639 120.570 -0.064 0.000 2.603 205 I HA 0.762 4.921 4.170 -0.017 0.000 0.300 205 I C -1.261 174.833 176.117 -0.038 0.000 1.017 205 I CA -0.441 60.827 61.300 -0.053 0.000 1.098 205 I CB 2.095 40.059 38.000 -0.061 0.000 1.279 205 I HN 0.652 nan 8.210 nan 0.000 0.437 206 E N 3.710 123.898 120.200 -0.020 0.000 2.263 206 E HA 0.230 4.570 4.350 -0.017 0.000 0.268 206 E C -0.811 175.815 176.600 0.044 0.000 0.884 206 E CA -0.667 55.739 56.400 0.009 0.000 0.766 206 E CB 1.370 31.062 29.700 -0.013 0.000 1.196 206 E HN 0.641 nan 8.360 nan 0.000 0.416 207 Y N 4.734 125.005 120.300 -0.047 0.000 2.242 207 Y HA 0.023 4.562 4.550 -0.018 0.000 0.291 207 Y C 0.638 176.520 175.900 -0.030 0.000 1.137 207 Y CA 1.228 59.307 58.100 -0.035 0.000 1.181 207 Y CB 0.324 38.767 38.460 -0.029 0.000 0.989 207 Y HN 0.460 nan 8.280 nan 0.000 0.527 208 M N 0.492 120.184 119.600 0.154 0.000 2.157 208 M HA 0.093 4.562 4.480 -0.017 0.000 0.304 208 M C -1.276 175.006 176.300 -0.030 0.000 1.171 208 M CA -2.206 53.132 55.300 0.063 0.000 1.157 208 M CB -0.607 32.033 32.600 0.068 0.000 1.403 208 M HN -0.092 nan 8.290 nan 0.000 0.473 209 P HA -0.074 nan 4.420 nan 0.000 0.222 209 P C -0.202 177.070 177.300 -0.046 0.000 1.147 209 P CA 1.361 64.430 63.100 -0.051 0.000 0.790 209 P CB 0.340 32.016 31.700 -0.041 0.000 0.780 210 E N -1.212 118.962 120.200 -0.044 0.000 2.413 210 E HA 0.355 4.695 4.350 -0.017 0.000 0.277 210 E C -0.490 176.068 176.600 -0.069 0.000 0.958 210 E CA -1.145 55.222 56.400 -0.055 0.000 0.779 210 E CB 0.930 30.595 29.700 -0.059 0.000 1.278 210 E HN -0.097 nan 8.360 nan 0.000 0.456 211 I N 0.008 120.526 120.570 -0.087 0.000 3.138 211 I HA 0.272 4.432 4.170 -0.017 0.000 0.288 211 I C 0.384 176.394 176.117 -0.180 0.000 1.148 211 I CA -0.689 60.544 61.300 -0.112 0.000 1.315 211 I CB 0.215 38.147 38.000 -0.113 0.000 1.426 211 I HN 0.670 nan 8.210 nan 0.000 0.615 212 L N 1.316 122.411 121.223 -0.213 0.000 3.677 212 L HA -0.161 4.168 4.340 -0.017 0.000 0.464 212 L C -1.274 175.464 176.870 -0.220 0.000 1.278 212 L CA -0.356 54.296 54.840 -0.313 0.000 0.806 212 L CB -1.675 39.996 42.059 -0.647 0.000 1.610 212 L HN 0.711 nan 8.230 nan 0.000 0.867 213 P HA -0.240 nan 4.420 nan 0.000 0.218 213 P C 1.207 178.475 177.300 -0.055 0.000 1.150 213 P CA 1.505 64.564 63.100 -0.069 0.000 0.841 213 P CB 0.135 31.819 31.700 -0.027 0.000 0.784 214 Q N -0.517 119.251 119.800 -0.053 0.000 2.331 214 Q HA 0.132 4.461 4.340 -0.017 0.000 0.203 214 Q C 1.546 177.561 176.000 0.026 0.000 0.944 214 Q CA 0.720 56.522 55.803 -0.002 0.000 0.892 214 Q CB -0.518 28.234 28.738 0.023 0.000 0.983 214 Q HN 0.250 nan 8.270 nan 0.000 0.482 215 G N 0.897 109.677 108.800 -0.034 0.000 2.522 215 G HA2 0.196 4.146 3.960 -0.017 0.000 0.304 215 G HA3 0.196 4.146 3.960 -0.017 0.000 0.304 215 G C -1.014 173.856 174.900 -0.050 0.000 1.210 215 G CA -0.565 44.587 45.100 0.086 0.000 0.960 215 G HN 0.078 nan 8.290 nan 0.000 0.497 216 D N 0.120 120.399 120.400 -0.202 0.000 2.520 216 D HA 0.093 4.722 4.640 -0.017 0.000 0.243 216 D C -1.238 175.013 176.300 -0.083 0.000 1.160 216 D CA -0.842 52.918 54.000 -0.399 0.000 0.877 216 D CB 1.258 41.533 40.800 -0.875 0.000 1.150 216 D HN -0.045 nan 8.370 nan 0.000 0.494 217 P HA -0.131 nan 4.420 nan 0.000 0.217 217 P C 0.997 178.295 177.300 -0.003 0.000 1.150 217 P CA 0.871 63.944 63.100 -0.045 0.000 0.832 217 P CB 0.156 31.827 31.700 -0.048 0.000 0.787 218 E N -0.427 119.776 120.200 0.005 0.000 2.031 218 E HA -0.167 4.173 4.350 -0.017 0.000 0.193 218 E C 1.802 178.455 176.600 0.089 0.000 0.994 218 E CA 2.192 58.613 56.400 0.035 0.000 0.800 218 E CB -0.398 29.318 29.700 0.027 0.000 0.752 218 E HN 0.250 nan 8.360 nan 0.000 0.447 219 T N -1.340 113.311 114.554 0.161 0.000 2.867 219 T HA 0.033 4.373 4.350 -0.017 0.000 0.268 219 T C 1.981 176.895 174.700 0.357 0.000 1.057 219 T CA 0.958 63.221 62.100 0.272 0.000 1.136 219 T CB -0.270 68.796 68.868 0.331 0.000 0.874 219 T HN 0.215 nan 8.240 nan 0.000 0.466 220 A N 1.723 124.711 122.820 0.280 0.000 1.972 220 A HA 0.381 4.691 4.320 -0.017 0.000 0.219 220 A C 2.753 180.342 177.584 0.009 0.000 1.169 220 A CA 1.613 53.655 52.037 0.009 0.000 0.635 220 A CB -1.235 17.660 19.000 -0.175 0.000 0.810 220 A HN 0.719 nan 8.150 nan 0.000 0.446 221 A N -0.230 122.610 122.820 0.032 0.000 1.930 221 A HA 0.044 4.354 4.320 -0.017 0.000 0.217 221 A C 2.103 179.708 177.584 0.036 0.000 1.175 221 A CA 1.271 53.318 52.037 0.016 0.000 0.627 221 A CB -0.516 18.491 19.000 0.012 0.000 0.815 221 A HN 0.461 nan 8.150 nan 0.000 0.443 222 L N -0.879 120.385 121.223 0.068 0.000 2.083 222 L HA -0.163 4.166 4.340 -0.017 0.000 0.209 222 L C 2.544 179.460 176.870 0.076 0.000 1.083 222 L CA 1.090 55.972 54.840 0.070 0.000 0.752 222 L CB -0.526 41.584 42.059 0.086 0.000 0.899 222 L HN 0.495 nan 8.230 nan 0.000 0.433 223 L N 0.265 121.549 121.223 0.103 0.000 2.027 223 L HA -0.194 4.136 4.340 -0.017 0.000 0.206 223 L C 2.730 179.623 176.870 0.039 0.000 1.074 223 L CA 1.676 56.570 54.840 0.090 0.000 0.745 223 L CB -0.631 41.494 42.059 0.110 0.000 0.898 223 L HN 0.119 nan 8.230 nan 0.000 0.433 224 R N -0.459 120.049 120.500 0.014 0.000 2.083 224 R HA -0.190 4.140 4.340 -0.017 0.000 0.237 224 R C 2.433 178.737 176.300 0.007 0.000 1.137 224 R CA 1.979 58.078 56.100 -0.002 0.000 0.951 224 R CB -0.252 30.038 30.300 -0.017 0.000 0.851 224 R HN 0.361 nan 8.270 nan 0.000 0.434 225 R N -0.223 120.285 120.500 0.014 0.000 2.120 225 R HA -0.072 4.258 4.340 -0.017 0.000 0.234 225 R C 2.318 178.630 176.300 0.020 0.000 1.123 225 R CA 1.261 57.370 56.100 0.014 0.000 0.975 225 R CB -0.277 30.033 30.300 0.016 0.000 0.866 225 R HN 0.314 nan 8.270 nan 0.000 0.446 226 A N 1.086 123.922 122.820 0.027 0.000 1.929 226 A HA -0.067 4.242 4.320 -0.017 0.000 0.216 226 A C 2.129 179.725 177.584 0.020 0.000 1.176 226 A CA 0.912 52.967 52.037 0.030 0.000 0.628 226 A CB -0.366 18.658 19.000 0.039 0.000 0.816 226 A HN 0.156 nan 8.150 nan 0.000 0.444 227 L N -0.579 120.653 121.223 0.016 0.000 2.056 227 L HA -0.180 4.150 4.340 -0.017 0.000 0.207 227 L C 2.525 179.401 176.870 0.010 0.000 1.078 227 L CA 1.466 56.311 54.840 0.008 0.000 0.749 227 L CB -0.577 41.487 42.059 0.008 0.000 0.901 227 L HN 0.471 nan 8.230 nan 0.000 0.433 228 E N 0.123 120.329 120.200 0.010 0.000 2.204 228 E HA -0.201 4.139 4.350 -0.017 0.000 0.194 228 E C 2.037 178.646 176.600 0.016 0.000 0.989 228 E CA 0.740 57.146 56.400 0.009 0.000 0.824 228 E CB 0.034 29.736 29.700 0.005 0.000 0.756 228 E HN 0.435 nan 8.360 nan 0.000 0.477 229 K N 0.819 121.232 120.400 0.021 0.000 2.211 229 K HA -0.112 4.197 4.320 -0.017 0.000 0.203 229 K C 1.414 178.038 176.600 0.040 0.000 1.050 229 K CA 0.770 57.075 56.287 0.030 0.000 0.945 229 K CB 0.057 32.578 32.500 0.036 0.000 0.732 229 K HN 0.160 nan 8.250 nan 0.000 0.451 230 E N -0.309 119.913 120.200 0.037 0.000 2.476 230 E HA 0.018 4.357 4.350 -0.017 0.000 0.191 230 E C 0.614 177.239 176.600 0.041 0.000 1.064 230 E CA 0.181 56.611 56.400 0.050 0.000 0.866 230 E CB 0.423 30.134 29.700 0.018 0.000 0.952 230 E HN 0.472 nan 8.360 nan 0.000 0.492 231 G N 1.728 110.546 108.800 0.030 0.000 2.157 231 G HA2 -0.285 3.664 3.960 -0.017 0.000 0.248 231 G HA3 -0.285 3.664 3.960 -0.017 0.000 0.248 231 G C 0.272 175.183 174.900 0.018 0.000 0.979 231 G CA -0.221 44.893 45.100 0.023 0.000 0.650 231 G HN 0.259 nan 8.290 nan 0.000 0.529 232 I N 1.020 121.599 120.570 0.016 0.000 2.396 232 I HA 0.295 4.455 4.170 -0.017 0.000 0.289 232 I C 0.917 177.034 176.117 0.001 0.000 1.056 232 I CA -0.789 60.517 61.300 0.011 0.000 1.365 232 I CB 0.853 38.861 38.000 0.013 0.000 1.407 232 I HN -0.018 nan 8.210 nan 0.000 0.509 233 R N 6.241 126.737 120.500 -0.006 0.000 2.242 233 R HA 0.321 4.651 4.340 -0.017 0.000 0.334 233 R C -1.254 175.035 176.300 -0.020 0.000 1.071 233 R CA -0.281 55.811 56.100 -0.013 0.000 0.922 233 R CB 0.315 30.605 30.300 -0.017 0.000 1.023 233 R HN 0.400 nan 8.270 nan 0.000 0.458 234 V N 6.785 126.688 119.914 -0.019 0.000 2.350 234 V HA 0.467 4.577 4.120 -0.017 0.000 0.276 234 V C 0.094 176.172 176.094 -0.028 0.000 1.028 234 V CA -0.750 61.536 62.300 -0.024 0.000 0.860 234 V CB 1.278 33.088 31.823 -0.022 0.000 0.990 234 V HN 0.534 nan 8.190 nan 0.000 0.453 235 R N 3.260 123.740 120.500 -0.034 0.000 2.239 235 R HA 0.442 4.771 4.340 -0.017 0.000 0.332 235 R C 0.303 176.578 176.300 -0.041 0.000 0.988 235 R CA -0.323 55.756 56.100 -0.036 0.000 0.859 235 R CB 1.463 31.741 30.300 -0.037 0.000 1.148 235 R HN 0.854 nan 8.270 nan 0.000 0.482 236 T N -1.399 113.128 114.554 -0.044 0.000 2.881 236 T HA 0.269 4.609 4.350 -0.017 0.000 0.278 236 T C 0.277 174.933 174.700 -0.073 0.000 0.982 236 T CA -0.826 61.243 62.100 -0.051 0.000 0.989 236 T CB 1.058 69.896 68.868 -0.049 0.000 1.058 236 T HN 0.566 nan 8.240 nan 0.000 0.529 237 K N 0.445 120.784 120.400 -0.102 0.000 3.156 237 K HA -0.141 4.169 4.320 -0.017 0.000 0.266 237 K C -0.593 175.902 176.600 -0.175 0.000 0.966 237 K CA 0.655 56.837 56.287 -0.174 0.000 0.719 237 K CB -2.076 30.341 32.500 -0.139 0.000 1.333 237 K HN 0.815 nan 8.250 nan 0.000 0.468 238 T N 0.361 114.834 114.554 -0.136 0.000 2.933 238 T HA 0.449 4.789 4.350 -0.017 0.000 0.305 238 T C -0.866 173.826 174.700 -0.013 0.000 1.092 238 T CA -1.107 60.944 62.100 -0.081 0.000 1.008 238 T CB 2.048 70.887 68.868 -0.049 0.000 1.102 238 T HN 0.313 nan 8.240 nan 0.000 0.469 239 K N 0.267 120.685 120.400 0.030 0.000 2.426 239 K HA 0.876 5.185 4.320 -0.017 0.000 0.251 239 K C -1.099 175.543 176.600 0.069 0.000 0.941 239 K CA -1.155 55.201 56.287 0.115 0.000 0.808 239 K CB 2.158 34.815 32.500 0.263 0.000 1.265 239 K HN 0.579 nan 8.250 nan 0.000 0.432 240 A N 2.653 125.492 122.820 0.032 0.000 2.269 240 A HA 0.357 4.667 4.320 -0.017 0.000 0.302 240 A C 0.611 178.357 177.584 0.270 0.000 1.266 240 A CA -0.828 51.250 52.037 0.067 0.000 0.894 240 A CB 0.644 19.487 19.000 -0.261 0.000 1.147 240 A HN 0.590 nan 8.150 nan 0.000 0.537 241 V N 2.664 122.746 119.914 0.280 0.000 2.446 241 V HA 0.328 4.438 4.120 -0.017 0.000 0.244 241 V C 1.419 177.657 176.094 0.239 0.000 1.039 241 V CA 1.771 64.212 62.300 0.235 0.000 1.045 241 V CB -0.574 31.327 31.823 0.130 0.000 0.681 241 V HN 1.217 nan 8.190 nan 0.000 0.459 242 G N -1.361 107.576 108.800 0.229 0.000 2.349 242 G HA2 0.514 4.464 3.960 -0.017 0.000 0.294 242 G HA3 0.514 4.464 3.960 -0.017 0.000 0.294 242 G C -1.924 172.986 174.900 0.016 0.000 1.380 242 G CA -0.056 44.972 45.100 -0.120 0.000 0.811 242 G HN 0.298 nan 8.290 nan 0.000 0.519 243 Y N -1.409 118.696 120.300 -0.324 0.000 2.655 243 Y HA 0.881 5.421 4.550 -0.016 0.000 0.336 243 Y C -1.076 174.756 175.900 -0.113 0.000 1.154 243 Y CA -1.444 56.581 58.100 -0.124 0.000 1.055 243 Y CB 1.903 40.328 38.460 -0.058 0.000 1.295 243 Y HN 0.762 nan 8.280 nan 0.000 0.465 244 E N 1.928 122.055 120.200 -0.123 0.000 2.278 244 E HA 0.282 4.622 4.350 -0.017 0.000 0.272 244 E C -1.745 174.866 176.600 0.018 0.000 0.890 244 E CA -0.998 55.266 56.400 -0.228 0.000 0.770 244 E CB 1.766 31.374 29.700 -0.152 0.000 1.212 244 E HN 0.690 nan 8.360 nan 0.000 0.415 245 K N 3.846 124.240 120.400 -0.010 0.000 2.322 245 K HA 0.233 4.543 4.320 -0.017 0.000 0.283 245 K C -0.730 175.882 176.600 0.020 0.000 1.042 245 K CA 0.116 56.469 56.287 0.110 0.000 0.958 245 K CB 0.673 33.240 32.500 0.112 0.000 0.984 245 K HN 0.399 nan 8.250 nan 0.000 0.473 246 K N 2.348 122.778 120.400 0.049 0.000 2.372 246 K HA 0.145 4.455 4.320 -0.017 0.000 0.251 246 K C 0.439 177.060 176.600 0.035 0.000 1.055 246 K CA -0.891 55.379 56.287 -0.028 0.000 0.879 246 K CB 1.312 33.687 32.500 -0.208 0.000 1.384 246 K HN 0.405 nan 8.250 nan 0.000 0.465 247 K N 1.155 121.565 120.400 0.016 0.000 2.113 247 K HA -0.200 4.110 4.320 -0.017 0.000 0.208 247 K C 0.852 177.489 176.600 0.062 0.000 1.047 247 K CA 2.500 58.807 56.287 0.034 0.000 0.928 247 K CB 0.012 32.525 32.500 0.021 0.000 0.716 247 K HN 0.628 nan 8.250 nan 0.000 0.446 248 D N -1.347 119.115 120.400 0.103 0.000 2.349 248 D HA 0.128 4.758 4.640 -0.017 0.000 0.214 248 D C 0.735 177.099 176.300 0.107 0.000 1.063 248 D CA 0.583 54.647 54.000 0.107 0.000 0.847 248 D CB 0.733 41.607 40.800 0.125 0.000 0.933 248 D HN 0.362 nan 8.370 nan 0.000 0.513 249 G N -0.112 108.774 108.800 0.144 0.000 2.357 249 G HA2 0.190 4.140 3.960 -0.017 0.000 0.289 249 G HA3 0.190 4.140 3.960 -0.017 0.000 0.289 249 G C -1.967 173.060 174.900 0.211 0.000 1.302 249 G CA -0.963 44.205 45.100 0.114 0.000 0.936 249 G HN 0.073 nan 8.290 nan 0.000 0.513 250 L N 2.122 123.428 121.223 0.139 0.000 2.261 250 L HA 0.372 4.702 4.340 -0.017 0.000 0.289 250 L C 0.570 177.569 176.870 0.215 0.000 1.059 250 L CA -0.410 54.566 54.840 0.226 0.000 0.816 250 L CB 0.319 42.421 42.059 0.072 0.000 1.191 250 L HN 0.505 nan 8.230 nan 0.000 0.431 251 H N 3.465 122.612 119.070 0.128 0.000 2.934 251 H HA 0.277 4.823 4.556 -0.017 0.000 0.273 251 H C -0.543 174.871 175.328 0.143 0.000 1.121 251 H CA -0.526 55.578 56.048 0.093 0.000 1.451 251 H CB 0.927 30.721 29.762 0.053 0.000 1.469 251 H HN 0.257 nan 8.280 nan 0.000 0.476 252 V N 5.027 125.049 119.914 0.180 0.000 2.439 252 V HA 0.180 4.290 4.120 -0.017 0.000 0.282 252 V C 0.587 176.775 176.094 0.158 0.000 1.039 252 V CA -0.730 61.703 62.300 0.222 0.000 0.913 252 V CB 1.789 33.723 31.823 0.185 0.000 0.983 252 V HN 0.672 nan 8.190 nan 0.000 0.460 253 R N 4.993 125.600 120.500 0.179 0.000 2.207 253 R HA 0.600 4.930 4.340 -0.017 0.000 0.334 253 R C -1.283 175.090 176.300 0.121 0.000 1.013 253 R CA -0.454 55.719 56.100 0.122 0.000 0.858 253 R CB 0.556 30.916 30.300 0.099 0.000 1.094 253 R HN 0.706 nan 8.270 nan 0.000 0.457 254 L N 3.577 124.844 121.223 0.073 0.000 2.334 254 L HA 0.535 4.865 4.340 -0.017 0.000 0.272 254 L C 0.324 177.216 176.870 0.037 0.000 1.020 254 L CA -0.624 54.247 54.840 0.051 0.000 0.812 254 L CB 1.963 44.034 42.059 0.020 0.000 1.264 254 L HN 0.774 nan 8.230 nan 0.000 0.439 255 E N 0.026 120.243 120.200 0.030 0.000 3.611 255 E HA 0.027 4.367 4.350 -0.017 0.000 0.111 255 E C -0.028 176.564 176.600 -0.013 0.000 1.120 255 E CA -0.538 55.871 56.400 0.015 0.000 0.766 255 E CB 0.221 29.939 29.700 0.030 0.000 1.996 255 E HN 0.624 nan 8.360 nan 0.000 0.453 256 E N 1.235 121.326 120.200 -0.182 0.000 2.725 256 E HA -0.316 4.024 4.350 -0.017 0.000 0.291 256 E C 0.369 176.952 176.600 -0.028 0.000 1.382 256 E CA 1.705 58.060 56.400 -0.075 0.000 0.976 256 E CB -1.363 28.297 29.700 -0.066 0.000 0.812 256 E HN 0.682 nan 8.360 nan 0.000 0.440 257 G N -1.583 107.200 108.800 -0.028 0.000 2.629 257 G HA2 0.427 4.376 3.960 -0.017 0.000 0.686 257 G HA3 0.427 4.376 3.960 -0.017 0.000 0.686 257 G C 0.144 175.037 174.900 -0.011 0.000 1.232 257 G CA 0.312 45.410 45.100 -0.003 0.000 0.803 257 G HN 1.391 nan 8.290 nan 0.000 0.638 258 G N -1.317 107.482 108.800 -0.002 0.000 2.340 258 G HA2 0.686 4.636 3.960 -0.017 0.000 0.282 258 G HA3 0.686 4.636 3.960 -0.017 0.000 0.282 258 G C -0.102 174.798 174.900 0.000 0.000 1.312 258 G CA 0.899 45.996 45.100 -0.004 0.000 0.942 258 G HN 2.517 nan 8.290 nan 0.000 0.495 259 E N -0.514 119.685 120.200 -0.002 0.000 2.417 259 E HA 0.534 4.874 4.350 -0.017 0.000 0.261 259 E C 0.856 177.458 176.600 0.003 0.000 1.000 259 E CA 0.640 57.040 56.400 0.001 0.000 0.919 259 E CB 0.536 30.235 29.700 -0.001 0.000 0.955 259 E HN 2.058 nan 8.360 nan 0.000 0.455 260 G N 1.381 110.187 108.800 0.010 0.000 2.488 260 G HA2 0.565 4.515 3.960 -0.017 0.000 0.318 260 G HA3 0.565 4.515 3.960 -0.017 0.000 0.318 260 G C -0.103 174.806 174.900 0.014 0.000 1.188 260 G CA -0.147 44.962 45.100 0.014 0.000 0.944 260 G HN 0.786 nan 8.290 nan 0.000 0.495 261 E N -0.644 119.566 120.200 0.015 0.000 2.263 261 E HA 0.488 4.828 4.350 -0.017 0.000 0.264 261 E C -1.196 175.417 176.600 0.023 0.000 0.923 261 E CA -0.779 55.629 56.400 0.013 0.000 0.802 261 E CB 2.694 32.396 29.700 0.003 0.000 1.228 261 E HN 0.478 nan 8.360 nan 0.000 0.417 262 E N 1.271 121.483 120.200 0.020 0.000 2.187 262 E HA 0.433 4.772 4.350 -0.017 0.000 0.268 262 E C -1.015 175.578 176.600 -0.011 0.000 0.896 262 E CA -0.937 55.479 56.400 0.026 0.000 0.766 262 E CB 1.956 31.687 29.700 0.052 0.000 1.142 262 E HN 0.475 nan 8.360 nan 0.000 0.408 263 V N 0.714 120.612 119.914 -0.026 0.000 3.001 263 V HA 0.730 4.839 4.120 -0.017 0.000 0.314 263 V C -0.868 175.148 176.094 -0.131 0.000 1.099 263 V CA -0.807 61.451 62.300 -0.070 0.000 0.989 263 V CB 1.818 33.611 31.823 -0.050 0.000 1.040 263 V HN 0.418 nan 8.190 nan 0.000 0.434 264 V N 3.384 123.189 119.914 -0.182 0.000 2.487 264 V HA 0.780 4.890 4.120 -0.017 0.000 0.298 264 V C 0.041 176.053 176.094 -0.137 0.000 1.028 264 V CA -0.086 62.067 62.300 -0.245 0.000 0.860 264 V CB 1.340 32.926 31.823 -0.395 0.000 0.991 264 V HN 1.183 nan 8.190 nan 0.000 0.427 265 V N 0.676 120.526 119.914 -0.107 0.000 3.141 265 V HA 0.673 4.783 4.120 -0.017 0.000 0.312 265 V C 0.125 176.159 176.094 -0.100 0.000 1.157 265 V CA -0.590 61.646 62.300 -0.106 0.000 1.041 265 V CB 2.472 34.215 31.823 -0.133 0.000 1.071 265 V HN 0.625 nan 8.190 nan 0.000 0.441 266 D N 0.003 120.331 120.400 -0.120 0.000 2.277 266 D HA 0.195 4.825 4.640 -0.017 0.000 0.209 266 D C 0.154 176.326 176.300 -0.213 0.000 0.970 266 D CA 0.893 54.825 54.000 -0.113 0.000 0.874 266 D CB 0.758 41.512 40.800 -0.076 0.000 0.982 266 D HN 0.467 nan 8.370 nan 0.000 0.504 267 K N 0.098 120.293 120.400 -0.341 0.000 2.508 267 K HA 0.446 4.755 4.320 -0.017 0.000 0.260 267 K C -1.538 174.735 176.600 -0.544 0.000 0.949 267 K CA -0.627 55.306 56.287 -0.590 0.000 0.834 267 K CB 3.029 34.894 32.500 -1.058 0.000 1.365 267 K HN -0.322 nan 8.250 nan 0.000 0.437 268 V N 3.359 122.941 119.914 -0.553 0.000 2.555 268 V HA 0.525 4.634 4.120 -0.017 0.000 0.302 268 V C -1.146 174.753 176.094 -0.324 0.000 1.038 268 V CA -0.980 61.086 62.300 -0.389 0.000 0.887 268 V CB 1.544 33.184 31.823 -0.305 0.000 0.991 268 V HN 0.644 nan 8.190 nan 0.000 0.434 269 L N 6.357 127.445 121.223 -0.224 0.000 2.298 269 L HA 0.643 4.973 4.340 -0.017 0.000 0.284 269 L C -0.516 176.338 176.870 -0.025 0.000 1.013 269 L CA 0.027 54.837 54.840 -0.050 0.000 0.824 269 L CB 1.607 43.637 42.059 -0.049 0.000 1.221 269 L HN 0.427 nan 8.230 nan 0.000 0.418 270 V N 5.761 125.734 119.914 0.098 0.000 2.348 270 V HA 0.664 4.774 4.120 -0.017 0.000 0.270 270 V C 0.648 176.840 176.094 0.163 0.000 1.037 270 V CA 0.176 62.514 62.300 0.064 0.000 0.872 270 V CB 0.795 32.616 31.823 -0.003 0.000 1.002 270 V HN 0.938 nan 8.190 nan 0.000 0.464 271 A N 4.380 127.241 122.820 0.068 0.000 3.253 271 A HA 0.491 4.801 4.320 -0.017 0.000 0.290 271 A C 0.587 178.195 177.584 0.041 0.000 0.950 271 A CA -0.023 52.060 52.037 0.077 0.000 0.986 271 A CB 0.686 19.722 19.000 0.060 0.000 1.104 271 A HN 0.961 nan 8.150 nan 0.000 0.481 272 V N -2.876 117.062 119.914 0.040 0.000 3.649 272 V HA 0.620 4.729 4.120 -0.017 0.000 0.275 272 V C 0.800 176.912 176.094 0.030 0.000 1.281 272 V CA 0.603 62.910 62.300 0.012 0.000 1.143 272 V CB -0.847 30.965 31.823 -0.019 0.000 0.892 272 V HN 1.401 nan 8.190 nan 0.000 0.441 273 G N -0.039 108.796 108.800 0.058 0.000 2.352 273 G HA2 0.390 4.340 3.960 -0.017 0.000 0.283 273 G HA3 0.390 4.340 3.960 -0.017 0.000 0.283 273 G C -1.588 173.361 174.900 0.082 0.000 1.308 273 G CA -0.920 44.220 45.100 0.066 0.000 0.892 273 G HN 0.276 nan 8.290 nan 0.000 0.504 274 R N -0.328 120.227 120.500 0.090 0.000 2.774 274 R HA 0.654 4.984 4.340 -0.017 0.000 0.272 274 R C -1.044 175.291 176.300 0.058 0.000 1.000 274 R CA -0.901 55.247 56.100 0.081 0.000 0.906 274 R CB 2.319 32.675 30.300 0.092 0.000 1.227 274 R HN 0.687 nan 8.270 nan 0.000 0.468 275 K N 2.706 123.109 120.400 0.005 0.000 2.376 275 K HA 0.412 4.721 4.320 -0.017 0.000 0.257 275 K C -2.386 174.130 176.600 -0.139 0.000 0.939 275 K CA -1.911 54.321 56.287 -0.092 0.000 0.809 275 K CB 1.930 34.399 32.500 -0.052 0.000 1.121 275 K HN 0.209 nan 8.250 nan 0.000 0.425 276 P HA 0.029 nan 4.420 nan 0.000 0.268 276 P C -1.065 176.153 177.300 -0.138 0.000 1.204 276 P CA -0.005 62.943 63.100 -0.252 0.000 0.768 276 P CB 0.517 31.878 31.700 -0.566 0.000 0.842 277 R N 2.020 122.490 120.500 -0.049 0.000 3.266 277 R HA 0.188 4.518 4.340 -0.017 0.000 0.224 277 R C 0.767 177.070 176.300 0.003 0.000 1.525 277 R CA 0.023 56.118 56.100 -0.008 0.000 1.364 277 R CB -0.530 29.787 30.300 0.029 0.000 1.276 277 R HN 0.531 nan 8.270 nan 0.000 0.660 278 T N -2.994 111.548 114.554 -0.020 0.000 3.200 278 T HA 0.186 4.525 4.350 -0.017 0.000 0.284 278 T C 0.306 175.013 174.700 0.012 0.000 1.009 278 T CA -0.484 61.612 62.100 -0.006 0.000 0.907 278 T CB 0.354 69.203 68.868 -0.031 0.000 1.120 278 T HN 0.254 nan 8.240 nan 0.000 0.534 279 E N 0.876 121.093 120.200 0.029 0.000 2.231 279 E HA 0.522 4.861 4.350 -0.017 0.000 0.277 279 E C 0.773 177.425 176.600 0.086 0.000 0.999 279 E CA -0.462 55.960 56.400 0.037 0.000 0.827 279 E CB 1.134 30.843 29.700 0.014 0.000 1.101 279 E HN 0.388 nan 8.360 nan 0.000 0.393 280 G N 2.140 110.984 108.800 0.074 0.000 2.198 280 G HA2 -0.263 3.687 3.960 -0.017 0.000 0.260 280 G HA3 -0.263 3.687 3.960 -0.017 0.000 0.260 280 G C 0.358 175.365 174.900 0.178 0.000 1.025 280 G CA 0.250 45.413 45.100 0.105 0.000 0.769 280 G HN 0.426 nan 8.290 nan 0.000 0.507 281 L N -0.806 120.488 121.223 0.118 0.000 2.470 281 L HA 0.531 4.861 4.340 -0.017 0.000 0.219 281 L C 2.247 179.144 176.870 0.045 0.000 1.071 281 L CA 2.022 56.909 54.840 0.079 0.000 0.850 281 L CB 0.104 42.180 42.059 0.028 0.000 1.040 281 L HN 1.293 nan 8.230 nan 0.000 0.475 282 G N -1.327 107.499 108.800 0.043 0.000 2.176 282 G HA2 -0.263 3.687 3.960 -0.017 0.000 0.232 282 G HA3 -0.263 3.687 3.960 -0.017 0.000 0.232 282 G C 1.109 176.021 174.900 0.018 0.000 0.986 282 G CA 0.393 45.512 45.100 0.031 0.000 0.643 282 G HN 0.256 nan 8.290 nan 0.000 0.522 283 L N 0.918 122.149 121.223 0.014 0.000 2.051 283 L HA -0.189 4.141 4.340 -0.017 0.000 0.214 283 L C 3.129 180.004 176.870 0.008 0.000 1.076 283 L CA 2.369 57.213 54.840 0.008 0.000 0.758 283 L CB -0.616 41.447 42.059 0.007 0.000 0.890 283 L HN 0.628 nan 8.230 nan 0.000 0.433 284 E N 1.635 121.841 120.200 0.010 0.000 2.013 284 E HA -0.287 4.052 4.350 -0.017 0.000 0.202 284 E C 1.856 178.461 176.600 0.009 0.000 1.018 284 E CA 1.698 58.103 56.400 0.009 0.000 0.834 284 E CB -0.664 29.042 29.700 0.011 0.000 0.770 284 E HN 0.527 nan 8.360 nan 0.000 0.459 285 K N 0.848 121.255 120.400 0.012 0.000 2.280 285 K HA 0.021 4.330 4.320 -0.017 0.000 0.202 285 K C 1.978 178.583 176.600 0.009 0.000 1.047 285 K CA 1.107 57.401 56.287 0.011 0.000 0.942 285 K CB -0.135 32.374 32.500 0.015 0.000 0.739 285 K HN 0.253 nan 8.250 nan 0.000 0.457 286 A N 0.655 123.480 122.820 0.009 0.000 2.251 286 A HA 0.255 4.565 4.320 -0.017 0.000 0.209 286 A C 1.384 178.968 177.584 0.001 0.000 1.187 286 A CA 0.556 52.596 52.037 0.006 0.000 0.823 286 A CB -0.289 18.715 19.000 0.006 0.000 0.846 286 A HN 0.383 nan 8.150 nan 0.000 0.486 287 G N -1.296 107.504 108.800 0.001 0.000 2.148 287 G HA2 -0.207 3.743 3.960 -0.017 0.000 0.254 287 G HA3 -0.207 3.743 3.960 -0.017 0.000 0.254 287 G C 0.138 175.034 174.900 -0.006 0.000 0.981 287 G CA 0.241 45.339 45.100 -0.003 0.000 0.670 287 G HN 0.784 nan 8.290 nan 0.000 0.528 288 V N 1.185 121.096 119.914 -0.005 0.000 2.408 288 V HA 0.318 4.428 4.120 -0.017 0.000 0.267 288 V C 0.803 176.896 176.094 -0.000 0.000 1.047 288 V CA -0.311 61.985 62.300 -0.006 0.000 0.937 288 V CB 1.268 33.088 31.823 -0.005 0.000 0.999 288 V HN 0.334 nan 8.190 nan 0.000 0.472 289 K N 3.954 124.354 120.400 0.000 0.000 2.276 289 K HA 0.558 4.868 4.320 -0.017 0.000 0.283 289 K C -0.737 175.872 176.600 0.016 0.000 1.044 289 K CA -0.306 55.985 56.287 0.007 0.000 0.944 289 K CB 1.507 34.011 32.500 0.005 0.000 1.012 289 K HN 0.439 nan 8.250 nan 0.000 0.472 290 V N 3.185 123.111 119.914 0.019 0.000 2.628 290 V HA 0.097 4.207 4.120 -0.017 0.000 0.306 290 V C -0.099 176.014 176.094 0.033 0.000 1.045 290 V CA -0.908 61.409 62.300 0.028 0.000 0.905 290 V CB 1.851 33.680 31.823 0.010 0.000 0.997 290 V HN 0.906 nan 8.190 nan 0.000 0.436 291 D N 2.524 122.960 120.400 0.060 0.000 2.440 291 D HA 0.140 4.769 4.640 -0.017 0.000 0.269 291 D C 0.924 177.250 176.300 0.043 0.000 1.249 291 D CA -0.395 53.642 54.000 0.062 0.000 1.055 291 D CB 0.583 41.443 40.800 0.100 0.000 1.104 291 D HN 0.424 nan 8.370 nan 0.000 0.561 292 E N -0.626 119.603 120.200 0.047 0.000 2.147 292 E HA -0.189 4.151 4.350 -0.017 0.000 0.199 292 E C 1.853 178.461 176.600 0.013 0.000 1.005 292 E CA 1.624 58.041 56.400 0.030 0.000 0.810 292 E CB -0.312 29.410 29.700 0.036 0.000 0.736 292 E HN 0.426 nan 8.360 nan 0.000 0.460 293 R N -1.110 119.408 120.500 0.031 0.000 2.334 293 R HA 0.282 4.612 4.340 -0.017 0.000 0.216 293 R C 0.922 177.078 176.300 -0.241 0.000 0.905 293 R CA 0.523 56.591 56.100 -0.053 0.000 1.064 293 R CB 0.613 30.948 30.300 0.059 0.000 1.046 293 R HN 0.285 nan 8.270 nan 0.000 0.508 294 G N 0.282 108.985 108.800 -0.161 0.000 2.176 294 G HA2 -0.271 3.679 3.960 -0.017 0.000 0.232 294 G HA3 -0.271 3.679 3.960 -0.017 0.000 0.232 294 G C -0.015 174.737 174.900 -0.246 0.000 0.986 294 G CA -0.596 44.377 45.100 -0.211 0.000 0.643 294 G HN 0.212 nan 8.290 nan 0.000 0.522 295 F N 1.086 121.034 119.950 -0.004 0.000 2.412 295 F HA 0.543 5.060 4.527 -0.017 0.000 0.348 295 F C 1.453 177.246 175.800 -0.011 0.000 1.102 295 F CA -0.810 57.184 58.000 -0.010 0.000 1.196 295 F CB 0.753 39.743 39.000 -0.016 0.000 1.144 295 F HN -0.041 nan 8.300 nan 0.000 0.541 296 I N 4.372 125.050 120.570 0.180 0.000 2.533 296 I HA 0.087 4.247 4.170 -0.017 0.000 0.284 296 I C 0.404 176.570 176.117 0.081 0.000 1.109 296 I CA -0.122 61.234 61.300 0.094 0.000 1.412 296 I CB 0.345 38.384 38.000 0.064 0.000 1.396 296 I HN 0.506 nan 8.210 nan 0.000 0.543 297 R N 5.518 126.050 120.500 0.052 0.000 2.491 297 R HA 0.467 4.797 4.340 -0.017 0.000 0.283 297 R C -0.554 175.753 176.300 0.012 0.000 1.072 297 R CA -0.196 55.922 56.100 0.030 0.000 1.048 297 R CB 0.955 31.268 30.300 0.021 0.000 0.983 297 R HN 0.592 nan 8.270 nan 0.000 0.450 298 V N -0.699 119.216 119.914 0.002 0.000 3.216 298 V HA 0.472 4.581 4.120 -0.017 0.000 0.302 298 V C -1.040 175.053 176.094 -0.001 0.000 1.286 298 V CA -1.392 60.908 62.300 -0.000 0.000 1.048 298 V CB 2.096 33.926 31.823 0.011 0.000 1.081 298 V HN 0.887 nan 8.190 nan 0.000 0.442 299 N N 1.634 120.340 118.700 0.010 0.000 2.593 299 N HA 0.698 5.428 4.740 -0.017 0.000 0.304 299 N C 1.005 176.540 175.510 0.041 0.000 1.296 299 N CA -0.128 52.934 53.050 0.019 0.000 0.950 299 N CB 0.659 39.158 38.487 0.020 0.000 1.127 299 N HN 1.103 nan 8.380 nan 0.000 0.587 300 A N -0.911 121.942 122.820 0.056 0.000 2.121 300 A HA -0.045 4.265 4.320 -0.017 0.000 0.218 300 A C 1.724 179.390 177.584 0.138 0.000 1.154 300 A CA 0.793 52.888 52.037 0.096 0.000 0.679 300 A CB -0.634 18.416 19.000 0.084 0.000 0.795 300 A HN 0.605 nan 8.150 nan 0.000 0.458 301 R N -1.518 119.058 120.500 0.127 0.000 2.310 301 R HA 0.151 4.481 4.340 -0.017 0.000 0.202 301 R C -0.023 176.427 176.300 0.250 0.000 0.933 301 R CA 0.190 56.396 56.100 0.176 0.000 1.054 301 R CB 0.070 30.473 30.300 0.171 0.000 0.985 301 R HN 0.332 nan 8.270 nan 0.000 0.489 302 M N -0.291 119.422 119.600 0.189 0.000 2.872 302 M HA -0.189 4.281 4.480 -0.017 0.000 0.200 302 M C -0.935 175.509 176.300 0.241 0.000 0.582 302 M CA 0.971 56.393 55.300 0.203 0.000 0.706 302 M CB -2.498 30.236 32.600 0.225 0.000 2.560 302 M HN 0.183 nan 8.290 nan 0.000 0.476 303 E N 0.929 121.185 120.200 0.093 0.000 2.259 303 E HA 0.426 4.766 4.350 -0.017 0.000 0.281 303 E C 1.118 177.647 176.600 -0.117 0.000 1.027 303 E CA 0.195 56.488 56.400 -0.177 0.000 0.838 303 E CB 1.150 30.722 29.700 -0.213 0.000 1.066 303 E HN 0.446 nan 8.360 nan 0.000 0.401 304 T N -0.701 113.761 114.554 -0.154 0.000 2.801 304 T HA 0.012 4.352 4.350 -0.017 0.000 0.324 304 T C 1.408 176.059 174.700 -0.082 0.000 1.088 304 T CA -0.012 62.040 62.100 -0.080 0.000 0.975 304 T CB 0.599 69.429 68.868 -0.063 0.000 1.316 304 T HN 0.408 nan 8.240 nan 0.000 0.533 305 S N -1.292 114.377 115.700 -0.052 0.000 2.522 305 S HA 0.149 4.609 4.470 -0.017 0.000 0.227 305 S C 0.505 175.074 174.600 -0.052 0.000 0.986 305 S CA -0.419 57.755 58.200 -0.043 0.000 0.929 305 S CB -0.382 62.804 63.200 -0.023 0.000 0.769 305 S HN 0.531 nan 8.310 nan 0.000 0.529 306 V N 3.880 123.753 119.914 -0.068 0.000 2.328 306 V HA 0.401 4.510 4.120 -0.017 0.000 0.278 306 V C -2.558 173.471 176.094 -0.107 0.000 1.021 306 V CA -2.245 60.015 62.300 -0.066 0.000 0.838 306 V CB 1.026 32.821 31.823 -0.047 0.000 0.999 306 V HN 0.137 nan 8.190 nan 0.000 0.447 307 P HA 0.149 nan 4.420 nan 0.000 0.261 307 P C 1.045 178.280 177.300 -0.108 0.000 1.173 307 P CA 1.518 64.553 63.100 -0.109 0.000 0.760 307 P CB 0.496 32.163 31.700 -0.055 0.000 0.783 308 G N 1.224 109.922 108.800 -0.170 0.000 2.199 308 G HA2 -0.201 3.748 3.960 -0.017 0.000 0.254 308 G HA3 -0.201 3.748 3.960 -0.017 0.000 0.254 308 G C -0.048 174.812 174.900 -0.066 0.000 0.982 308 G CA -0.096 44.969 45.100 -0.059 0.000 0.632 308 G HN 0.546 nan 8.290 nan 0.000 0.529 309 V N 1.301 121.085 119.914 -0.216 0.000 2.384 309 V HA 0.707 4.817 4.120 -0.017 0.000 0.287 309 V C -0.305 175.643 176.094 -0.244 0.000 1.020 309 V CA -0.986 61.251 62.300 -0.106 0.000 0.850 309 V CB 1.066 32.855 31.823 -0.056 0.000 0.987 309 V HN 0.257 nan 8.190 nan 0.000 0.436 310 Y N 2.281 122.587 120.300 0.009 0.000 2.528 310 Y HA 0.846 5.386 4.550 -0.017 0.000 0.335 310 Y C 0.371 176.273 175.900 0.004 0.000 1.093 310 Y CA -0.878 57.227 58.100 0.010 0.000 1.134 310 Y CB 2.037 40.506 38.460 0.014 0.000 1.253 310 Y HN 0.684 nan 8.280 nan 0.000 0.478 311 A N 2.544 125.462 122.820 0.163 0.000 2.422 311 A HA 0.881 5.191 4.320 -0.017 0.000 0.302 311 A C -1.133 176.493 177.584 0.070 0.000 1.041 311 A CA -0.639 51.451 52.037 0.088 0.000 0.708 311 A CB 0.950 19.984 19.000 0.057 0.000 1.257 311 A HN 0.766 nan 8.150 nan 0.000 0.414 312 I N -1.099 119.494 120.570 0.039 0.000 3.095 312 I HA 0.914 5.073 4.170 -0.017 0.000 0.310 312 I C 0.522 176.628 176.117 -0.018 0.000 1.196 312 I CA -0.285 61.017 61.300 0.004 0.000 0.985 312 I CB 1.912 39.913 38.000 0.002 0.000 1.250 312 I HN 1.838 nan 8.210 nan 0.000 0.446 313 G N 2.944 111.709 108.800 -0.058 0.000 2.575 313 G HA2 -0.287 3.663 3.960 -0.017 0.000 0.267 313 G HA3 -0.287 3.663 3.960 -0.017 0.000 0.267 313 G C 0.132 175.014 174.900 -0.030 0.000 1.264 313 G CA 0.817 45.877 45.100 -0.066 0.000 0.935 313 G HN 0.891 nan 8.290 nan 0.000 0.568 314 D N 0.311 120.713 120.400 0.004 0.000 2.190 314 D HA 0.065 4.695 4.640 -0.017 0.000 0.200 314 D C 2.649 179.086 176.300 0.229 0.000 0.992 314 D CA 2.451 56.505 54.000 0.091 0.000 0.854 314 D CB -0.491 40.356 40.800 0.079 0.000 0.936 314 D HN 0.917 nan 8.370 nan 0.000 0.462 315 A N -0.141 122.768 122.820 0.149 0.000 2.119 315 A HA 0.279 4.588 4.320 -0.017 0.000 0.216 315 A C 2.116 179.852 177.584 0.253 0.000 1.152 315 A CA 1.356 53.496 52.037 0.172 0.000 0.708 315 A CB -0.110 18.932 19.000 0.070 0.000 0.805 315 A HN 0.221 nan 8.150 nan 0.000 0.460 316 A N -0.166 122.750 122.820 0.159 0.000 1.924 316 A HA 0.405 4.715 4.320 -0.017 0.000 0.211 316 A C 1.056 178.641 177.584 0.002 0.000 1.198 316 A CA 0.990 53.081 52.037 0.091 0.000 0.657 316 A CB 0.087 19.089 19.000 0.005 0.000 0.852 316 A HN 0.719 nan 8.150 nan 0.000 0.454 317 R N -2.958 117.429 120.500 -0.189 0.000 3.033 317 R HA 0.326 4.656 4.340 -0.017 0.000 0.284 317 R C -3.721 172.256 176.300 -0.538 0.000 0.997 317 R CA -1.330 54.440 56.100 -0.550 0.000 0.851 317 R CB -0.014 30.086 30.300 -0.334 0.000 1.297 317 R HN -0.103 nan 8.270 nan 0.000 0.518 318 P HA 0.298 nan 4.420 nan 0.000 0.276 318 P C -2.402 174.753 177.300 -0.242 0.000 1.252 318 P CA -1.258 61.625 63.100 -0.363 0.000 0.802 318 P CB 0.344 31.844 31.700 -0.334 0.000 1.035 319 P HA 0.146 nan 4.420 nan 0.000 0.275 319 P C -0.603 176.628 177.300 -0.116 0.000 1.228 319 P CA 0.011 63.048 63.100 -0.104 0.000 0.786 319 P CB 0.622 32.299 31.700 -0.038 0.000 0.927 320 L N 3.246 124.429 121.223 -0.067 0.000 2.384 320 L HA 0.267 4.597 4.340 -0.017 0.000 0.258 320 L C 0.305 177.147 176.870 -0.047 0.000 1.266 320 L CA -0.011 54.805 54.840 -0.041 0.000 1.162 320 L CB -0.956 41.118 42.059 0.025 0.000 1.375 320 L HN 0.210 nan 8.230 nan 0.000 0.420 321 L N 0.156 121.307 121.223 -0.120 0.000 2.354 321 L HA 0.570 4.900 4.340 -0.017 0.000 0.269 321 L C 1.166 177.895 176.870 -0.236 0.000 1.005 321 L CA -0.411 54.318 54.840 -0.186 0.000 0.819 321 L CB 1.948 43.785 42.059 -0.370 0.000 1.311 321 L HN 0.371 nan 8.230 nan 0.000 0.423 322 A N 0.798 123.527 122.820 -0.151 0.000 1.873 322 A HA -0.165 4.144 4.320 -0.017 0.000 0.215 322 A C 2.026 179.525 177.584 -0.142 0.000 1.186 322 A CA 1.551 53.529 52.037 -0.097 0.000 0.616 322 A CB -0.794 18.216 19.000 0.016 0.000 0.823 322 A HN 0.944 nan 8.150 nan 0.000 0.442 323 H N -0.076 118.971 119.070 -0.039 0.000 2.421 323 H HA -0.114 4.439 4.556 -0.004 0.000 0.298 323 H C 1.826 177.139 175.328 -0.025 0.000 1.087 323 H CA 1.539 57.553 56.048 -0.056 0.000 1.330 323 H CB -0.582 29.174 29.762 -0.010 0.000 1.388 323 H HN 0.624 nan 8.280 nan 0.000 0.526 324 K N 1.677 121.895 120.400 -0.303 0.000 2.057 324 K HA -0.033 4.276 4.320 -0.017 0.000 0.206 324 K C 2.480 179.046 176.600 -0.055 0.000 1.050 324 K CA 1.166 57.409 56.287 -0.074 0.000 0.935 324 K CB -0.175 32.214 32.500 -0.185 0.000 0.715 324 K HN 0.225 nan 8.250 nan 0.000 0.439 325 A N 1.198 123.930 122.820 -0.147 0.000 1.930 325 A HA -0.126 4.184 4.320 -0.017 0.000 0.217 325 A C 2.135 179.619 177.584 -0.167 0.000 1.175 325 A CA 1.598 53.552 52.037 -0.139 0.000 0.627 325 A CB -0.460 18.452 19.000 -0.147 0.000 0.815 325 A HN 0.384 nan 8.150 nan 0.000 0.443 326 M N -1.426 118.008 119.600 -0.277 0.000 2.086 326 M HA -0.158 4.312 4.480 -0.017 0.000 0.261 326 M C 2.344 178.529 176.300 -0.192 0.000 1.067 326 M CA 1.995 56.986 55.300 -0.515 0.000 1.116 326 M CB -0.190 31.929 32.600 -0.802 0.000 1.348 326 M HN 0.371 nan 8.290 nan 0.000 0.407 327 R N 0.796 121.269 120.500 -0.045 0.000 2.092 327 R HA -0.092 4.238 4.340 -0.017 0.000 0.231 327 R C 1.640 178.044 176.300 0.172 0.000 1.119 327 R CA 1.702 57.827 56.100 0.042 0.000 0.970 327 R CB -0.442 29.872 30.300 0.025 0.000 0.864 327 R HN 0.434 nan 8.270 nan 0.000 0.440 328 E N -1.151 119.190 120.200 0.235 0.000 2.150 328 E HA -0.079 4.260 4.350 -0.017 0.000 0.193 328 E C 1.782 178.433 176.600 0.085 0.000 0.985 328 E CA 1.061 57.583 56.400 0.204 0.000 0.814 328 E CB -0.192 29.530 29.700 0.036 0.000 0.752 328 E HN 0.596 nan 8.360 nan 0.000 0.466 329 G N 1.264 110.080 108.800 0.026 0.000 2.408 329 G HA2 -0.201 3.749 3.960 -0.017 0.000 0.217 329 G HA3 -0.201 3.749 3.960 -0.017 0.000 0.217 329 G C 1.578 176.487 174.900 0.016 0.000 1.150 329 G CA 0.295 45.398 45.100 0.005 0.000 0.776 329 G HN 0.076 nan 8.290 nan 0.000 0.542 330 L N 0.378 121.627 121.223 0.043 0.000 2.056 330 L HA -0.023 4.307 4.340 -0.017 0.000 0.207 330 L C 2.788 179.666 176.870 0.013 0.000 1.078 330 L CA 0.408 55.265 54.840 0.029 0.000 0.749 330 L CB -0.437 41.641 42.059 0.031 0.000 0.901 330 L HN 0.094 nan 8.230 nan 0.000 0.433 331 I N 0.592 121.194 120.570 0.053 0.000 2.226 331 I HA -0.244 3.916 4.170 -0.017 0.000 0.245 331 I C 2.870 178.977 176.117 -0.017 0.000 1.100 331 I CA 1.641 62.982 61.300 0.069 0.000 1.374 331 I CB -1.447 36.663 38.000 0.184 0.000 1.057 331 I HN 0.172 nan 8.210 nan 0.000 0.413 332 A N 0.938 123.722 122.820 -0.059 0.000 1.877 332 A HA -0.111 4.198 4.320 -0.017 0.000 0.216 332 A C 2.602 179.951 177.584 -0.392 0.000 1.186 332 A CA 2.099 53.974 52.037 -0.269 0.000 0.620 332 A CB -0.898 18.003 19.000 -0.164 0.000 0.822 332 A HN 0.402 nan 8.150 nan 0.000 0.443 333 A N -0.142 122.557 122.820 -0.201 0.000 1.883 333 A HA -0.216 4.094 4.320 -0.017 0.000 0.217 333 A C 1.904 179.403 177.584 -0.141 0.000 1.186 333 A CA 1.790 53.731 52.037 -0.160 0.000 0.624 333 A CB -0.678 18.275 19.000 -0.078 0.000 0.822 333 A HN 0.642 nan 8.150 nan 0.000 0.444 334 E N -0.201 119.941 120.200 -0.096 0.000 2.118 334 E HA -0.189 4.151 4.350 -0.017 0.000 0.195 334 E C 1.646 178.208 176.600 -0.064 0.000 0.992 334 E CA 1.187 57.553 56.400 -0.057 0.000 0.804 334 E CB -0.183 29.505 29.700 -0.020 0.000 0.741 334 E HN 0.557 nan 8.360 nan 0.000 0.458 335 N N 0.337 118.966 118.700 -0.118 0.000 2.300 335 N HA -0.047 4.683 4.740 -0.017 0.000 0.179 335 N C 1.619 177.080 175.510 -0.080 0.000 1.016 335 N CA 1.009 54.019 53.050 -0.066 0.000 0.876 335 N CB -0.128 38.356 38.487 -0.004 0.000 0.979 335 N HN 0.106 nan 8.380 nan 0.000 0.432 336 A N 0.936 123.601 122.820 -0.259 0.000 1.930 336 A HA 0.088 4.398 4.320 -0.017 0.000 0.217 336 A C 2.141 179.711 177.584 -0.025 0.000 1.175 336 A CA 1.577 53.538 52.037 -0.127 0.000 0.627 336 A CB -0.540 18.343 19.000 -0.197 0.000 0.815 336 A HN 0.272 nan 8.150 nan 0.000 0.443 337 A N -1.983 120.812 122.820 -0.042 0.000 2.235 337 A HA 0.387 4.697 4.320 -0.017 0.000 0.208 337 A C 1.831 179.420 177.584 0.008 0.000 1.172 337 A CA 1.351 53.382 52.037 -0.011 0.000 0.786 337 A CB -0.835 18.155 19.000 -0.018 0.000 0.804 337 A HN 1.828 nan 8.150 nan 0.000 0.479 338 G N -0.993 107.818 108.800 0.017 0.000 2.213 338 G HA2 -0.231 3.719 3.960 -0.017 0.000 0.226 338 G HA3 -0.231 3.719 3.960 -0.017 0.000 0.226 338 G C 0.506 175.424 174.900 0.029 0.000 0.992 338 G CA 0.363 45.482 45.100 0.032 0.000 0.632 338 G HN 0.559 nan 8.290 nan 0.000 0.511 339 K N 0.104 120.515 120.400 0.019 0.000 2.284 339 K HA 0.415 4.724 4.320 -0.017 0.000 0.243 339 K C -0.350 176.270 176.600 0.033 0.000 1.075 339 K CA 0.399 56.699 56.287 0.021 0.000 0.868 339 K CB 0.216 32.724 32.500 0.013 0.000 1.157 339 K HN 0.111 nan 8.250 nan 0.000 0.512 340 D N 0.265 120.685 120.400 0.033 0.000 2.502 340 D HA 0.159 4.789 4.640 -0.017 0.000 0.301 340 D C -1.340 174.985 176.300 0.043 0.000 1.202 340 D CA -0.160 53.865 54.000 0.041 0.000 0.878 340 D CB 0.357 41.176 40.800 0.033 0.000 1.062 340 D HN 0.272 nan 8.370 nan 0.000 0.499 341 S N 0.606 116.338 115.700 0.053 0.000 2.608 341 S HA 0.954 5.413 4.470 -0.017 0.000 0.291 341 S C -0.479 174.172 174.600 0.085 0.000 1.146 341 S CA -0.730 57.508 58.200 0.064 0.000 1.043 341 S CB 1.804 65.043 63.200 0.065 0.000 1.037 341 S HN 0.516 nan 8.310 nan 0.000 0.520 342 A N 1.235 124.105 122.820 0.084 0.000 2.549 342 A HA 0.716 5.026 4.320 -0.017 0.000 0.297 342 A C -1.630 176.019 177.584 0.110 0.000 1.061 342 A CA -0.637 51.459 52.037 0.099 0.000 0.690 342 A CB 0.845 19.871 19.000 0.044 0.000 1.287 342 A HN 0.662 nan 8.150 nan 0.000 0.402 343 F N 1.847 121.820 119.950 0.040 0.000 2.390 343 F HA 0.552 5.068 4.527 -0.019 0.000 0.361 343 F C -0.063 175.665 175.800 -0.120 0.000 1.124 343 F CA -0.180 57.862 58.000 0.070 0.000 1.149 343 F CB 0.867 39.943 39.000 0.126 0.000 1.160 343 F HN 0.538 nan 8.300 nan 0.000 0.501 344 D N 5.302 125.385 120.400 -0.528 0.000 2.846 344 D HA 0.207 4.837 4.640 -0.017 0.000 0.279 344 D C -1.519 174.347 176.300 -0.724 0.000 1.222 344 D CA -0.012 53.758 54.000 -0.383 0.000 0.769 344 D CB -0.098 40.514 40.800 -0.313 0.000 1.299 344 D HN 0.329 nan 8.370 nan 0.000 0.537 348 V N 4.247 124.279 119.914 0.197 0.000 2.350 348 V HA 0.465 4.575 4.120 -0.017 0.000 0.285 348 V C -1.865 174.351 176.094 0.203 0.000 1.014 348 V CA -1.195 61.250 62.300 0.241 0.000 0.831 348 V CB 1.474 33.456 31.823 0.266 0.000 1.000 348 V HN 0.531 nan 8.190 nan 0.000 0.433 349 P HA 0.410 nan 4.420 nan 0.000 0.276 349 P C -0.688 176.774 177.300 0.270 0.000 1.252 349 P CA -0.294 62.876 63.100 0.117 0.000 0.802 349 P CB 1.472 33.154 31.700 -0.031 0.000 1.035 350 S N -0.367 115.467 115.700 0.222 0.000 2.538 350 S HA 0.659 5.118 4.470 -0.017 0.000 0.288 350 S C -0.666 174.103 174.600 0.281 0.000 1.108 350 S CA -0.691 57.700 58.200 0.318 0.000 0.971 350 S CB 1.226 64.645 63.200 0.365 0.000 1.041 350 S HN 0.239 nan 8.310 nan 0.000 0.483 351 V N 1.870 121.928 119.914 0.241 0.000 2.876 351 V HA 0.669 4.779 4.120 -0.017 0.000 0.312 351 V C -0.882 175.284 176.094 0.120 0.000 1.085 351 V CA -0.742 61.608 62.300 0.084 0.000 0.945 351 V CB 2.158 33.837 31.823 -0.240 0.000 1.017 351 V HN 0.866 nan 8.190 nan 0.000 0.428 352 V N 3.550 123.519 119.914 0.090 0.000 2.407 352 V HA 0.327 4.437 4.120 -0.017 0.000 0.291 352 V C -0.649 175.447 176.094 0.004 0.000 1.018 352 V CA -0.472 61.914 62.300 0.144 0.000 0.842 352 V CB 1.402 33.341 31.823 0.193 0.000 0.996 352 V HN 0.853 nan 8.190 nan 0.000 0.426 353 Y N 2.437 122.815 120.300 0.130 0.000 2.506 353 Y HA 0.104 4.642 4.550 -0.020 0.000 0.333 353 Y C 1.795 177.753 175.900 0.096 0.000 1.177 353 Y CA -0.373 57.791 58.100 0.107 0.000 1.292 353 Y CB -0.788 37.729 38.460 0.094 0.000 1.124 353 Y HN 0.743 nan 8.280 nan 0.000 0.507 354 T N -2.933 111.725 114.554 0.173 0.000 2.689 354 T HA 0.346 4.686 4.350 -0.017 0.000 0.308 354 T C 0.330 175.088 174.700 0.096 0.000 1.021 354 T CA -0.818 61.356 62.100 0.123 0.000 0.973 354 T CB 1.033 69.958 68.868 0.095 0.000 1.113 354 T HN 0.083 nan 8.240 nan 0.000 0.522 355 S N 2.808 118.540 115.700 0.055 0.000 2.733 355 S HA 0.451 4.911 4.470 -0.017 0.000 0.307 355 S C -2.433 172.177 174.600 0.016 0.000 1.127 355 S CA -0.986 57.235 58.200 0.034 0.000 1.097 355 S CB 1.259 64.464 63.200 0.009 0.000 1.003 355 S HN 0.679 nan 8.310 nan 0.000 0.477 356 P HA 0.206 nan 4.420 nan 0.000 0.272 356 P C -0.446 176.901 177.300 0.078 0.000 1.240 356 P CA -0.358 62.777 63.100 0.058 0.000 0.791 356 P CB 0.839 32.577 31.700 0.063 0.000 0.978 357 E N -0.210 120.026 120.200 0.061 0.000 2.314 357 E HA 0.292 4.632 4.350 -0.017 0.000 0.262 357 E C -1.070 175.599 176.600 0.115 0.000 1.093 357 E CA -0.269 56.164 56.400 0.054 0.000 0.908 357 E CB 0.827 30.504 29.700 -0.038 0.000 1.091 357 E HN 0.459 nan 8.360 nan 0.000 0.425 358 W N 0.644 121.906 121.300 -0.062 0.000 2.883 358 W HA 0.580 5.239 4.660 -0.002 0.000 0.335 358 W C -1.621 174.870 176.519 -0.046 0.000 1.083 358 W CA -0.335 56.998 57.345 -0.021 0.000 1.233 358 W CB 1.441 30.909 29.460 0.012 0.000 1.412 358 W HN 0.499 nan 8.180 nan 0.000 0.490 359 A N 3.583 125.949 122.820 -0.757 0.000 2.486 359 A HA 0.914 5.224 4.320 -0.017 0.000 0.300 359 A C -0.887 176.018 177.584 -1.130 0.000 1.048 359 A CA -0.408 51.232 52.037 -0.663 0.000 0.696 359 A CB 1.427 20.202 19.000 -0.375 0.000 1.278 359 A HN 1.160 nan 8.150 nan 0.000 0.405 360 G N -0.761 107.620 108.800 -0.699 0.000 2.696 360 G HA2 0.725 4.675 3.960 -0.017 0.000 0.295 360 G HA3 0.725 4.675 3.960 -0.017 0.000 0.295 360 G C -1.851 172.856 174.900 -0.321 0.000 1.398 360 G CA -0.345 44.415 45.100 -0.567 0.000 0.920 360 G HN 1.842 nan 8.290 nan 0.000 0.492 361 V N 0.638 120.216 119.914 -0.559 0.000 2.924 361 V HA 0.839 4.949 4.120 -0.017 0.000 0.300 361 V C 0.542 176.448 176.094 -0.312 0.000 1.227 361 V CA 1.391 63.528 62.300 -0.271 0.000 0.954 361 V CB 1.448 33.151 31.823 -0.201 0.000 1.055 361 V HN 2.772 nan 8.190 nan 0.000 0.429 362 G N 4.848 113.598 108.800 -0.083 0.000 2.508 362 G HA2 -0.112 3.838 3.960 -0.017 0.000 0.220 362 G HA3 -0.112 3.838 3.960 -0.017 0.000 0.220 362 G C -0.899 174.074 174.900 0.122 0.000 1.287 362 G CA -0.196 44.889 45.100 -0.024 0.000 0.916 362 G HN 1.286 nan 8.290 nan 0.000 0.574 363 L N 1.592 122.897 121.223 0.136 0.000 2.334 363 L HA 0.569 4.899 4.340 -0.017 0.000 0.277 363 L C 1.537 178.639 176.870 0.386 0.000 1.075 363 L CA -0.303 54.672 54.840 0.226 0.000 0.804 363 L CB 1.477 43.609 42.059 0.120 0.000 1.174 363 L HN 1.000 nan 8.230 nan 0.000 0.438 364 T N -2.119 112.612 114.554 0.295 0.000 2.788 364 T HA 0.149 4.489 4.350 -0.017 0.000 0.287 364 T C 0.918 175.674 174.700 0.093 0.000 1.007 364 T CA -0.663 61.488 62.100 0.084 0.000 1.005 364 T CB 1.091 69.904 68.868 -0.091 0.000 1.012 364 T HN 0.650 nan 8.240 nan 0.000 0.530 365 E N 0.311 120.533 120.200 0.037 0.000 2.085 365 E HA -0.176 4.164 4.350 -0.017 0.000 0.194 365 E C 2.194 178.829 176.600 0.058 0.000 0.994 365 E CA 1.172 57.607 56.400 0.058 0.000 0.801 365 E CB -0.020 29.700 29.700 0.034 0.000 0.743 365 E HN 0.606 nan 8.360 nan 0.000 0.453 366 E N 1.058 121.278 120.200 0.033 0.000 2.051 366 E HA -0.182 4.158 4.350 -0.017 0.000 0.192 366 E C 1.967 178.605 176.600 0.064 0.000 0.991 366 E CA 1.049 57.473 56.400 0.039 0.000 0.799 366 E CB -0.181 29.530 29.700 0.018 0.000 0.748 366 E HN 0.393 nan 8.360 nan 0.000 0.449 367 E N 0.771 121.016 120.200 0.075 0.000 2.110 367 E HA -0.130 4.210 4.350 -0.017 0.000 0.193 367 E C 2.028 178.710 176.600 0.136 0.000 0.988 367 E CA 0.977 57.436 56.400 0.098 0.000 0.804 367 E CB -0.111 29.656 29.700 0.111 0.000 0.745 367 E HN 0.198 nan 8.360 nan 0.000 0.458 368 A N 1.820 124.728 122.820 0.148 0.000 1.902 368 A HA -0.226 4.084 4.320 -0.017 0.000 0.217 368 A C 1.963 179.697 177.584 0.250 0.000 1.181 368 A CA 1.528 53.693 52.037 0.213 0.000 0.623 368 A CB -0.266 18.810 19.000 0.127 0.000 0.818 368 A HN 0.050 nan 8.150 nan 0.000 0.443 369 K N -0.834 119.659 120.400 0.154 0.000 2.025 369 K HA -0.094 4.216 4.320 -0.017 0.000 0.207 369 K C 2.309 178.965 176.600 0.092 0.000 1.049 369 K CA 1.315 57.673 56.287 0.119 0.000 0.933 369 K CB -0.188 32.359 32.500 0.078 0.000 0.714 369 K HN 0.347 nan 8.250 nan 0.000 0.438 370 R N 0.616 121.166 120.500 0.083 0.000 2.193 370 R HA -0.075 4.255 4.340 -0.017 0.000 0.229 370 R C 1.769 178.101 176.300 0.054 0.000 1.110 370 R CA 1.114 57.249 56.100 0.058 0.000 0.988 370 R CB -0.066 30.268 30.300 0.056 0.000 0.871 370 R HN 0.192 nan 8.270 nan 0.000 0.458 371 A N -0.770 122.105 122.820 0.092 0.000 2.251 371 A HA 0.199 4.509 4.320 -0.017 0.000 0.209 371 A C 1.300 178.832 177.584 -0.087 0.000 1.187 371 A CA 0.790 52.860 52.037 0.056 0.000 0.823 371 A CB 0.087 19.212 19.000 0.208 0.000 0.846 371 A HN 0.482 nan 8.150 nan 0.000 0.486 372 G N -2.354 106.425 108.800 -0.035 0.000 2.175 372 G HA2 -0.288 3.662 3.960 -0.017 0.000 0.244 372 G HA3 -0.288 3.662 3.960 -0.017 0.000 0.244 372 G C 0.052 174.886 174.900 -0.110 0.000 0.982 372 G CA 0.272 45.316 45.100 -0.094 0.000 0.641 372 G HN 0.450 nan 8.290 nan 0.000 0.527 373 Y N 0.357 120.680 120.300 0.038 0.000 2.314 373 Y HA 0.503 5.044 4.550 -0.014 0.000 0.334 373 Y C 1.106 177.033 175.900 0.045 0.000 1.266 373 Y CA 0.503 58.630 58.100 0.045 0.000 1.391 373 Y CB 0.677 39.171 38.460 0.057 0.000 1.306 373 Y HN 0.296 nan 8.280 nan 0.000 0.558 374 K N 2.132 122.668 120.400 0.227 0.000 2.184 374 K HA 0.488 4.798 4.320 -0.017 0.000 0.259 374 K C -0.682 176.004 176.600 0.143 0.000 1.119 374 K CA -0.441 55.929 56.287 0.138 0.000 0.991 374 K CB -0.743 31.820 32.500 0.104 0.000 1.522 374 K HN 0.560 nan 8.250 nan 0.000 0.405 375 V N 2.400 122.393 119.914 0.131 0.000 2.673 375 V HA 0.232 4.342 4.120 -0.017 0.000 0.303 375 V C 0.476 176.605 176.094 0.058 0.000 1.046 375 V CA 0.099 62.466 62.300 0.110 0.000 1.126 375 V CB 0.810 32.693 31.823 0.100 0.000 0.934 375 V HN 0.870 nan 8.190 nan 0.000 0.487 376 K N 3.443 123.885 120.400 0.070 0.000 2.527 376 K HA 0.755 5.065 4.320 -0.017 0.000 0.260 376 K C -1.418 175.212 176.600 0.051 0.000 0.937 376 K CA -0.655 55.583 56.287 -0.081 0.000 0.826 376 K CB 2.428 34.718 32.500 -0.350 0.000 1.359 376 K HN 0.589 nan 8.250 nan 0.000 0.434 377 V N -0.902 118.993 119.914 -0.031 0.000 3.040 377 V HA 0.958 5.068 4.120 -0.017 0.000 0.312 377 V C -0.581 175.583 176.094 0.116 0.000 1.115 377 V CA -0.517 61.867 62.300 0.141 0.000 0.998 377 V CB 1.786 33.670 31.823 0.102 0.000 1.042 377 V HN 0.813 nan 8.190 nan 0.000 0.433 378 G N 1.774 110.713 108.800 0.232 0.000 2.566 378 G HA2 0.735 4.685 3.960 -0.017 0.000 0.311 378 G HA3 0.735 4.685 3.960 -0.017 0.000 0.311 378 G C -1.241 173.745 174.900 0.143 0.000 1.322 378 G CA -0.966 44.243 45.100 0.182 0.000 0.969 378 G HN 0.869 nan 8.290 nan 0.000 0.490 379 K N 0.651 121.129 120.400 0.129 0.000 2.422 379 K HA 0.575 4.885 4.320 -0.017 0.000 0.251 379 K C -1.998 174.718 176.600 0.193 0.000 0.933 379 K CA -0.791 55.575 56.287 0.132 0.000 0.798 379 K CB 3.061 35.608 32.500 0.080 0.000 1.238 379 K HN 0.374 nan 8.250 nan 0.000 0.428 380 F N 4.206 124.173 119.950 0.028 0.000 2.562 380 F HA 0.372 4.886 4.527 -0.022 0.000 0.319 380 F C -2.640 173.174 175.800 0.024 0.000 1.154 380 F CA -2.090 55.926 58.000 0.027 0.000 0.931 380 F CB 1.794 40.806 39.000 0.022 0.000 1.198 380 F HN 0.311 nan 8.300 nan 0.000 0.444 381 P HA 0.220 nan 4.420 nan 0.000 0.288 381 P C 0.566 177.592 177.300 -0.457 0.000 1.267 381 P CA -0.306 62.569 63.100 -0.375 0.000 0.815 381 P CB 2.117 33.643 31.700 -0.289 0.000 0.989 382 L N 2.250 123.380 121.223 -0.155 0.000 2.265 382 L HA -0.157 4.173 4.340 -0.017 0.000 0.215 382 L C 2.427 179.252 176.870 -0.076 0.000 1.117 382 L CA 1.404 56.212 54.840 -0.052 0.000 0.782 382 L CB -0.696 41.370 42.059 0.011 0.000 0.914 382 L HN 0.432 nan 8.230 nan 0.000 0.441 383 A N -0.118 122.632 122.820 -0.117 0.000 2.131 383 A HA -0.077 4.233 4.320 -0.017 0.000 0.220 383 A C 2.098 179.626 177.584 -0.093 0.000 1.158 383 A CA 1.551 53.538 52.037 -0.082 0.000 0.665 383 A CB -0.372 18.581 19.000 -0.078 0.000 0.795 383 A HN 0.403 nan 8.150 nan 0.000 0.460 384 A N -0.886 121.825 122.820 -0.182 0.000 2.387 384 A HA 0.442 4.752 4.320 -0.017 0.000 0.234 384 A C 1.013 178.636 177.584 0.065 0.000 1.253 384 A CA 0.579 52.554 52.037 -0.104 0.000 0.894 384 A CB -0.251 18.604 19.000 -0.242 0.000 0.963 384 A HN 0.409 nan 8.150 nan 0.000 0.508 385 S N -0.154 115.592 115.700 0.076 0.000 2.430 385 S HA 0.439 4.899 4.470 -0.017 0.000 0.289 385 S C 1.439 176.053 174.600 0.023 0.000 1.143 385 S CA 0.067 58.345 58.200 0.130 0.000 1.067 385 S CB 0.935 64.233 63.200 0.164 0.000 0.964 385 S HN 0.480 nan 8.310 nan 0.000 0.485 386 G N 4.792 113.577 108.800 -0.024 0.000 2.422 386 G HA2 -0.213 3.737 3.960 -0.017 0.000 0.218 386 G HA3 -0.213 3.737 3.960 -0.017 0.000 0.218 386 G C 1.511 176.379 174.900 -0.054 0.000 1.146 386 G CA 0.664 45.739 45.100 -0.041 0.000 0.769 386 G HN 0.658 nan 8.290 nan 0.000 0.547 387 R N 1.316 121.771 120.500 -0.075 0.000 2.073 387 R HA 0.117 4.447 4.340 -0.017 0.000 0.234 387 R C 2.769 179.056 176.300 -0.021 0.000 1.134 387 R CA 1.824 57.882 56.100 -0.070 0.000 0.952 387 R CB -1.103 29.151 30.300 -0.076 0.000 0.850 387 R HN 0.216 nan 8.270 nan 0.000 0.433 388 A N 0.378 123.201 122.820 0.005 0.000 1.940 388 A HA -0.145 4.165 4.320 -0.017 0.000 0.219 388 A C 2.108 179.711 177.584 0.030 0.000 1.176 388 A CA 1.582 53.633 52.037 0.023 0.000 0.631 388 A CB -0.676 18.344 19.000 0.034 0.000 0.814 388 A HN 0.349 nan 8.150 nan 0.000 0.446 389 L N 0.239 121.475 121.223 0.021 0.000 2.056 389 L HA -0.101 4.229 4.340 -0.017 0.000 0.207 389 L C 2.844 179.735 176.870 0.035 0.000 1.078 389 L CA 2.575 57.433 54.840 0.030 0.000 0.749 389 L CB -0.764 41.306 42.059 0.019 0.000 0.901 389 L HN 0.599 nan 8.230 nan 0.000 0.433 390 T N -3.443 111.117 114.554 0.009 0.000 3.007 390 T HA -0.137 4.203 4.350 -0.017 0.000 0.270 390 T C 1.603 176.313 174.700 0.015 0.000 1.107 390 T CA 0.992 63.090 62.100 -0.003 0.000 1.118 390 T CB -0.503 68.345 68.868 -0.033 0.000 0.889 390 T HN 0.323 nan 8.240 nan 0.000 0.506 391 L N 0.435 121.682 121.223 0.041 0.000 2.611 391 L HA 0.434 4.764 4.340 -0.017 0.000 0.229 391 L C 1.907 178.882 176.870 0.176 0.000 1.137 391 L CA 0.349 55.232 54.840 0.072 0.000 0.901 391 L CB -0.129 41.950 42.059 0.033 0.000 1.098 391 L HN 0.592 nan 8.230 nan 0.000 0.456 392 G N -0.604 108.305 108.800 0.183 0.000 2.179 392 G HA2 -0.032 3.918 3.960 -0.017 0.000 0.220 392 G HA3 -0.032 3.918 3.960 -0.017 0.000 0.220 392 G C 0.426 175.425 174.900 0.166 0.000 0.990 392 G CA -0.365 44.885 45.100 0.249 0.000 0.646 392 G HN 0.760 nan 8.290 nan 0.000 0.517 393 G N -1.419 107.450 108.800 0.116 0.000 2.435 393 G HA2 0.621 4.571 3.960 -0.017 0.000 0.603 393 G HA3 0.621 4.571 3.960 -0.017 0.000 0.603 393 G C -0.549 174.393 174.900 0.069 0.000 1.496 393 G CA 0.817 45.967 45.100 0.084 0.000 0.896 393 G HN 2.140 nan 8.290 nan 0.000 0.657 394 A N 1.638 124.485 122.820 0.045 0.000 2.319 394 A HA 0.857 5.167 4.320 -0.017 0.000 0.310 394 A C -0.105 177.492 177.584 0.022 0.000 1.152 394 A CA -0.210 51.847 52.037 0.034 0.000 0.783 394 A CB 1.287 20.299 19.000 0.021 0.000 1.184 394 A HN 1.405 nan 8.150 nan 0.000 0.474 395 E N 2.717 122.935 120.200 0.030 0.000 2.241 395 E HA 0.696 5.036 4.350 -0.017 0.000 0.263 395 E C -0.235 176.382 176.600 0.028 0.000 0.882 395 E CA -0.175 56.239 56.400 0.024 0.000 0.769 395 E CB 1.311 31.032 29.700 0.035 0.000 1.185 395 E HN 1.709 nan 8.360 nan 0.000 0.415 396 G N 2.042 110.853 108.800 0.018 0.000 2.359 396 G HA2 0.395 4.345 3.960 -0.017 0.000 0.293 396 G HA3 0.395 4.345 3.960 -0.017 0.000 0.293 396 G C -1.068 173.840 174.900 0.014 0.000 1.300 396 G CA -0.295 44.822 45.100 0.029 0.000 0.888 396 G HN 0.943 nan 8.290 nan 0.000 0.541 397 M N -2.037 117.581 119.600 0.030 0.000 2.790 397 M HA 0.764 5.234 4.480 -0.017 0.000 0.272 397 M C -1.937 174.396 176.300 0.055 0.000 1.168 397 M CA -1.062 54.260 55.300 0.037 0.000 0.829 397 M CB 1.819 34.435 32.600 0.026 0.000 1.675 397 M HN 0.846 nan 8.290 nan 0.000 0.505 398 V N 1.737 121.708 119.914 0.095 0.000 2.495 398 V HA 0.657 4.767 4.120 -0.017 0.000 0.298 398 V C -0.855 175.296 176.094 0.095 0.000 1.031 398 V CA -0.486 61.858 62.300 0.073 0.000 0.871 398 V CB 1.938 33.807 31.823 0.076 0.000 0.988 398 V HN 0.791 nan 8.190 nan 0.000 0.432 399 K N 4.297 124.752 120.400 0.092 0.000 2.463 399 K HA 0.715 5.025 4.320 -0.017 0.000 0.255 399 K C -1.159 175.514 176.600 0.123 0.000 0.942 399 K CA -0.506 55.858 56.287 0.129 0.000 0.814 399 K CB 2.063 34.662 32.500 0.166 0.000 1.122 399 K HN 0.597 nan 8.250 nan 0.000 0.425 400 V N 1.137 121.112 119.914 0.102 0.000 2.483 400 V HA 0.623 4.733 4.120 -0.017 0.000 0.295 400 V C -0.546 175.622 176.094 0.123 0.000 1.035 400 V CA -0.793 61.537 62.300 0.051 0.000 0.896 400 V CB 1.540 33.339 31.823 -0.040 0.000 0.986 400 V HN 0.395 nan 8.190 nan 0.000 0.447 401 V N 4.272 124.244 119.914 0.098 0.000 2.459 401 V HA 0.965 5.074 4.120 -0.017 0.000 0.295 401 V C 0.749 176.873 176.094 0.050 0.000 1.029 401 V CA 0.571 62.953 62.300 0.136 0.000 0.874 401 V CB 1.093 33.018 31.823 0.170 0.000 0.985 401 V HN 1.383 nan 8.190 nan 0.000 0.438 402 G N 2.271 111.168 108.800 0.161 0.000 2.687 402 G HA2 0.457 4.407 3.960 -0.017 0.000 0.291 402 G HA3 0.457 4.407 3.960 -0.017 0.000 0.291 402 G C -1.910 173.099 174.900 0.181 0.000 1.420 402 G CA -0.439 44.697 45.100 0.059 0.000 0.796 402 G HN 0.542 nan 8.290 nan 0.000 0.485 403 D N -0.178 120.290 120.400 0.112 0.000 2.274 403 D HA 0.130 4.760 4.640 -0.017 0.000 0.239 403 D C 1.221 177.682 176.300 0.268 0.000 1.104 403 D CA -0.298 53.812 54.000 0.182 0.000 0.840 403 D CB 1.854 42.767 40.800 0.189 0.000 1.100 403 D HN 0.614 nan 8.370 nan 0.000 0.477 404 E N 2.700 123.037 120.200 0.228 0.000 2.347 404 E HA -0.139 4.200 4.350 -0.017 0.000 0.196 404 E C 0.641 177.343 176.600 0.171 0.000 1.008 404 E CA 0.938 57.459 56.400 0.201 0.000 0.852 404 E CB 0.153 29.878 29.700 0.042 0.000 0.783 404 E HN 0.534 nan 8.360 nan 0.000 0.505 405 E N 0.657 120.945 120.200 0.147 0.000 2.060 405 E HA -0.084 4.255 4.350 -0.017 0.000 0.189 405 E C 2.068 178.740 176.600 0.119 0.000 0.974 405 E CA 1.631 58.101 56.400 0.117 0.000 0.808 405 E CB 0.107 29.866 29.700 0.098 0.000 0.768 405 E HN 0.457 nan 8.360 nan 0.000 0.453 406 T N -1.987 112.647 114.554 0.133 0.000 3.065 406 T HA 0.027 4.367 4.350 -0.017 0.000 0.252 406 T C 0.653 175.415 174.700 0.105 0.000 1.099 406 T CA 0.692 62.858 62.100 0.110 0.000 1.063 406 T CB 0.197 69.134 68.868 0.114 0.000 0.948 406 T HN 0.078 nan 8.240 nan 0.000 0.506 407 D N -0.819 119.668 120.400 0.143 0.000 3.077 407 D HA -0.144 4.486 4.640 -0.017 0.000 0.212 407 D C -0.369 175.931 176.300 -0.001 0.000 1.125 407 D CA 0.421 54.503 54.000 0.137 0.000 0.970 407 D CB -1.785 39.108 40.800 0.156 0.000 1.110 407 D HN 0.523 nan 8.370 nan 0.000 0.419 408 L N 0.750 121.974 121.223 0.002 0.000 2.367 408 L HA 0.413 4.743 4.340 -0.017 0.000 0.275 408 L C -0.067 176.716 176.870 -0.144 0.000 1.129 408 L CA -0.364 54.440 54.840 -0.059 0.000 0.839 408 L CB 0.658 42.703 42.059 -0.023 0.000 1.133 408 L HN 0.224 nan 8.230 nan 0.000 0.453 409 L N 5.561 126.682 121.223 -0.169 0.000 2.453 409 L HA 0.160 4.489 4.340 -0.017 0.000 0.272 409 L C 0.282 177.043 176.870 -0.182 0.000 1.182 409 L CA 0.783 55.503 54.840 -0.201 0.000 0.858 409 L CB 0.493 42.444 42.059 -0.180 0.000 1.120 409 L HN 0.793 nan 8.230 nan 0.000 0.474 410 L N 4.002 125.116 121.223 -0.181 0.000 2.653 410 L HA 0.527 4.857 4.340 -0.017 0.000 0.230 410 L C 0.822 177.627 176.870 -0.109 0.000 1.055 410 L CA 0.262 54.988 54.840 -0.191 0.000 0.880 410 L CB 0.170 42.061 42.059 -0.280 0.000 1.195 410 L HN 0.773 nan 8.230 nan 0.000 0.492 411 G N -0.246 108.501 108.800 -0.089 0.000 2.703 411 G HA2 0.572 4.522 3.960 -0.017 0.000 0.294 411 G HA3 0.572 4.522 3.960 -0.017 0.000 0.294 411 G C -1.970 172.786 174.900 -0.239 0.000 1.451 411 G CA -0.308 44.711 45.100 -0.135 0.000 0.869 411 G HN -0.274 nan 8.290 nan 0.000 0.516 412 V N 0.552 120.104 119.914 -0.603 0.000 2.686 412 V HA 0.733 4.843 4.120 -0.017 0.000 0.306 412 V C -1.328 174.180 176.094 -0.977 0.000 1.065 412 V CA -0.690 61.305 62.300 -0.508 0.000 0.894 412 V CB 1.632 33.256 31.823 -0.333 0.000 1.004 412 V HN 0.641 nan 8.190 nan 0.000 0.424 413 F N 4.417 124.271 119.950 -0.159 0.000 2.561 413 F HA 0.735 5.255 4.527 -0.012 0.000 0.313 413 F C -0.207 175.413 175.800 -0.300 0.000 1.126 413 F CA -0.552 57.272 58.000 -0.294 0.000 0.918 413 F CB 1.864 40.769 39.000 -0.158 0.000 1.199 413 F HN 0.206 nan 8.300 nan 0.000 0.444 414 I N 3.295 123.651 120.570 -0.357 0.000 2.647 414 I HA 0.643 4.803 4.170 -0.017 0.000 0.295 414 I C -1.368 174.567 176.117 -0.303 0.000 1.078 414 I CA -1.232 59.914 61.300 -0.256 0.000 1.048 414 I CB 2.427 40.294 38.000 -0.222 0.000 1.239 414 I HN 0.331 nan 8.210 nan 0.000 0.421 415 V N 4.767 124.622 119.914 -0.098 0.000 2.569 415 V HA 0.992 5.102 4.120 -0.017 0.000 0.301 415 V C -0.279 175.827 176.094 0.020 0.000 1.044 415 V CA 0.371 62.674 62.300 0.005 0.000 0.874 415 V CB 1.312 33.217 31.823 0.137 0.000 1.002 415 V HN 1.063 nan 8.190 nan 0.000 0.424 416 G N 6.551 115.365 108.800 0.024 0.000 2.356 416 G HA2 0.262 4.212 3.960 -0.017 0.000 0.300 416 G HA3 0.262 4.212 3.960 -0.017 0.000 0.300 416 G C -3.479 171.430 174.900 0.015 0.000 1.331 416 G CA -0.344 44.772 45.100 0.025 0.000 0.905 416 G HN 0.658 nan 8.290 nan 0.000 0.587 417 P HA 0.216 nan 4.420 nan 0.000 0.268 417 P C -0.245 177.055 177.300 -0.001 0.000 1.204 417 P CA 0.729 63.837 63.100 0.014 0.000 0.768 417 P CB 1.237 32.945 31.700 0.014 0.000 0.842 418 Q N 0.464 120.263 119.800 -0.003 0.000 2.460 418 Q HA -0.254 4.076 4.340 -0.017 0.000 0.248 418 Q C 1.332 177.301 176.000 -0.051 0.000 0.847 418 Q CA 1.340 57.134 55.803 -0.016 0.000 1.214 418 Q CB -2.788 25.945 28.738 -0.008 0.000 1.523 418 Q HN 0.709 nan 8.270 nan 0.000 0.602 419 A N 0.167 122.943 122.820 -0.072 0.000 1.917 419 A HA -0.055 4.255 4.320 -0.017 0.000 0.219 419 A C 2.196 179.686 177.584 -0.158 0.000 1.182 419 A CA 2.300 54.264 52.037 -0.121 0.000 0.633 419 A CB -0.886 18.029 19.000 -0.142 0.000 0.819 419 A HN 0.628 nan 8.150 nan 0.000 0.448 420 G N -0.800 107.892 108.800 -0.181 0.000 2.432 420 G HA2 -0.174 3.776 3.960 -0.017 0.000 0.219 420 G HA3 -0.174 3.776 3.960 -0.017 0.000 0.219 420 G C 1.376 176.203 174.900 -0.121 0.000 1.135 420 G CA 1.008 45.982 45.100 -0.211 0.000 0.767 420 G HN 0.524 nan 8.290 nan 0.000 0.550 421 E N 0.273 120.426 120.200 -0.078 0.000 2.170 421 E HA 0.068 4.408 4.350 -0.017 0.000 0.191 421 E C 2.629 179.191 176.600 -0.065 0.000 0.981 421 E CA 0.232 56.602 56.400 -0.051 0.000 0.830 421 E CB -0.168 29.518 29.700 -0.024 0.000 0.775 421 E HN 0.461 nan 8.360 nan 0.000 0.470 422 L N 0.317 121.495 121.223 -0.074 0.000 2.313 422 L HA -0.026 4.304 4.340 -0.017 0.000 0.214 422 L C 2.312 179.122 176.870 -0.101 0.000 1.119 422 L CA 0.125 54.922 54.840 -0.071 0.000 0.809 422 L CB -0.208 41.813 42.059 -0.063 0.000 0.933 422 L HN 0.037 nan 8.230 nan 0.000 0.449 423 I N 0.490 120.978 120.570 -0.137 0.000 2.676 423 I HA -0.153 4.007 4.170 -0.017 0.000 0.259 423 I C 2.486 178.521 176.117 -0.138 0.000 1.194 423 I CA 0.868 62.068 61.300 -0.168 0.000 1.473 423 I CB -0.203 37.670 38.000 -0.211 0.000 1.096 423 I HN 0.124 nan 8.210 nan 0.000 0.443 424 A N -0.405 122.347 122.820 -0.113 0.000 1.969 424 A HA -0.242 4.068 4.320 -0.017 0.000 0.218 424 A C 2.353 179.886 177.584 -0.084 0.000 1.169 424 A CA 1.745 53.724 52.037 -0.097 0.000 0.635 424 A CB -0.673 18.276 19.000 -0.085 0.000 0.810 424 A HN 0.566 nan 8.150 nan 0.000 0.445 425 E N -0.024 120.129 120.200 -0.078 0.000 2.106 425 E HA -0.116 4.223 4.350 -0.017 0.000 0.192 425 E C 2.107 178.664 176.600 -0.071 0.000 0.984 425 E CA 0.952 57.312 56.400 -0.066 0.000 0.806 425 E CB -0.224 29.450 29.700 -0.044 0.000 0.750 425 E HN 0.539 nan 8.360 nan 0.000 0.458 426 A N 1.259 124.023 122.820 -0.093 0.000 1.898 426 A HA -0.065 4.245 4.320 -0.017 0.000 0.216 426 A C 2.396 179.914 177.584 -0.109 0.000 1.181 426 A CA 1.690 53.657 52.037 -0.117 0.000 0.620 426 A CB -0.720 18.177 19.000 -0.172 0.000 0.819 426 A HN 0.406 nan 8.150 nan 0.000 0.442 427 A N -0.340 122.418 122.820 -0.103 0.000 1.877 427 A HA -0.062 4.247 4.320 -0.017 0.000 0.216 427 A C 2.153 179.703 177.584 -0.056 0.000 1.186 427 A CA 1.787 53.778 52.037 -0.076 0.000 0.620 427 A CB -0.700 18.258 19.000 -0.070 0.000 0.822 427 A HN 0.743 nan 8.150 nan 0.000 0.443 428 L N -0.138 121.050 121.223 -0.059 0.000 2.012 428 L HA -0.096 4.234 4.340 -0.017 0.000 0.210 428 L C 2.680 179.523 176.870 -0.046 0.000 1.073 428 L CA 2.308 57.119 54.840 -0.048 0.000 0.748 428 L CB -0.881 41.146 42.059 -0.053 0.000 0.891 428 L HN 0.364 nan 8.230 nan 0.000 0.431 429 A N -0.270 122.516 122.820 -0.057 0.000 1.873 429 A HA -0.242 4.067 4.320 -0.017 0.000 0.218 429 A C 2.283 179.833 177.584 -0.057 0.000 1.193 429 A CA 2.377 54.380 52.037 -0.058 0.000 0.629 429 A CB -1.098 17.860 19.000 -0.069 0.000 0.826 429 A HN 0.537 nan 8.150 nan 0.000 0.447 430 L N -0.819 120.367 121.223 -0.062 0.000 2.017 430 L HA -0.191 4.139 4.340 -0.017 0.000 0.208 430 L C 2.713 179.565 176.870 -0.029 0.000 1.073 430 L CA 1.425 56.233 54.840 -0.054 0.000 0.745 430 L CB -0.685 41.341 42.059 -0.056 0.000 0.894 430 L HN 0.349 nan 8.230 nan 0.000 0.432 431 E N -0.121 120.069 120.200 -0.017 0.000 2.118 431 E HA -0.190 4.150 4.350 -0.017 0.000 0.195 431 E C 2.063 178.659 176.600 -0.007 0.000 0.992 431 E CA 1.181 57.582 56.400 0.002 0.000 0.804 431 E CB -0.176 29.535 29.700 0.019 0.000 0.741 431 E HN 0.418 nan 8.360 nan 0.000 0.458 432 M N -0.768 118.822 119.600 -0.018 0.000 2.618 432 M HA 0.119 4.588 4.480 -0.017 0.000 0.240 432 M C 0.877 177.165 176.300 -0.020 0.000 1.123 432 M CA 0.629 55.918 55.300 -0.019 0.000 1.060 432 M CB -0.566 32.019 32.600 -0.025 0.000 1.535 432 M HN 0.164 nan 8.290 nan 0.000 0.507 433 G N 1.644 110.430 108.800 -0.023 0.000 2.295 433 G HA2 -0.160 3.790 3.960 -0.017 0.000 0.287 433 G HA3 -0.160 3.790 3.960 -0.017 0.000 0.287 433 G C 0.298 175.180 174.900 -0.030 0.000 1.055 433 G CA 0.283 45.370 45.100 -0.023 0.000 0.922 433 G HN 0.790 nan 8.290 nan 0.000 0.503 434 A N -0.001 122.794 122.820 -0.043 0.000 2.407 434 A HA 0.791 5.101 4.320 -0.017 0.000 0.248 434 A C 1.076 178.621 177.584 -0.065 0.000 1.082 434 A CA 0.946 52.954 52.037 -0.048 0.000 0.785 434 A CB 0.381 19.350 19.000 -0.052 0.000 1.020 434 A HN 1.769 nan 8.150 nan 0.000 0.489 435 T N -0.163 114.357 114.554 -0.057 0.000 2.897 435 T HA 0.441 4.781 4.350 -0.017 0.000 0.278 435 T C 1.117 175.750 174.700 -0.112 0.000 0.981 435 T CA -0.863 61.194 62.100 -0.072 0.000 0.973 435 T CB 0.455 69.309 68.868 -0.024 0.000 1.092 435 T HN 0.289 nan 8.240 nan 0.000 0.543 436 L N 0.524 121.631 121.223 -0.192 0.000 2.083 436 L HA -0.065 4.265 4.340 -0.017 0.000 0.209 436 L C 2.845 179.709 176.870 -0.010 0.000 1.083 436 L CA 1.830 56.505 54.840 -0.274 0.000 0.752 436 L CB -2.035 39.536 42.059 -0.813 0.000 0.899 436 L HN 0.870 nan 8.230 nan 0.000 0.433 437 T N -0.639 113.975 114.554 0.100 0.000 2.788 437 T HA -0.158 4.182 4.350 -0.017 0.000 0.268 437 T C 1.487 176.192 174.700 0.009 0.000 1.044 437 T CA 1.266 63.399 62.100 0.056 0.000 1.139 437 T CB -0.105 68.753 68.868 -0.017 0.000 0.867 437 T HN 0.315 nan 8.240 nan 0.000 0.454 438 D N 0.947 121.342 120.400 -0.008 0.000 2.117 438 D HA -0.051 4.578 4.640 -0.017 0.000 0.197 438 D C 2.061 178.362 176.300 0.002 0.000 0.987 438 D CA 0.691 54.684 54.000 -0.011 0.000 0.829 438 D CB -0.346 40.441 40.800 -0.022 0.000 0.961 438 D HN 0.195 nan 8.370 nan 0.000 0.460 439 L N 1.034 122.251 121.223 -0.010 0.000 2.056 439 L HA -0.033 4.297 4.340 -0.017 0.000 0.207 439 L C 2.148 179.040 176.870 0.038 0.000 1.078 439 L CA 1.566 56.415 54.840 0.014 0.000 0.749 439 L CB -0.732 41.299 42.059 -0.047 0.000 0.901 439 L HN -0.056 nan 8.230 nan 0.000 0.433 440 A N -1.022 121.802 122.820 0.007 0.000 1.968 440 A HA -0.066 4.244 4.320 -0.017 0.000 0.217 440 A C 2.153 179.747 177.584 0.018 0.000 1.169 440 A CA 1.459 53.497 52.037 0.000 0.000 0.638 440 A CB -0.656 18.372 19.000 0.046 0.000 0.812 440 A HN 0.469 nan 8.150 nan 0.000 0.446 441 L N -0.128 121.110 121.223 0.025 0.000 2.492 441 L HA 0.021 4.351 4.340 -0.017 0.000 0.223 441 L C 0.306 177.201 176.870 0.042 0.000 1.132 441 L CA 0.052 54.904 54.840 0.021 0.000 0.850 441 L CB -0.391 41.669 42.059 0.002 0.000 0.966 441 L HN 0.144 nan 8.230 nan 0.000 0.454 442 T N 1.045 115.648 114.554 0.081 0.000 2.834 442 T HA 0.133 4.473 4.350 -0.017 0.000 0.298 442 T C 0.270 175.064 174.700 0.157 0.000 0.966 442 T CA -0.159 61.982 62.100 0.069 0.000 1.141 442 T CB 1.583 70.471 68.868 0.032 0.000 0.905 442 T HN -0.207 nan 8.240 nan 0.000 0.535 443 V N 6.029 125.978 119.914 0.059 0.000 2.397 443 V HA 0.110 4.220 4.120 -0.017 0.000 0.262 443 V C 0.265 176.397 176.094 0.062 0.000 1.047 443 V CA -0.398 61.953 62.300 0.086 0.000 1.003 443 V CB -0.786 31.055 31.823 0.030 0.000 1.037 443 V HN 0.785 nan 8.190 nan 0.000 0.480 444 H N 6.134 125.197 119.070 -0.011 0.000 2.511 444 H HA 0.403 4.940 4.556 -0.031 0.000 0.346 444 H C -1.947 173.391 175.328 0.018 0.000 1.128 444 H CA -1.717 54.326 56.048 -0.007 0.000 1.342 444 H CB 0.580 30.331 29.762 -0.018 0.000 1.470 444 H HN 0.456 nan 8.280 nan 0.000 0.546 445 P HA 0.069 nan 4.420 nan 0.000 0.275 445 P C -0.759 176.613 177.300 0.121 0.000 1.227 445 P CA -0.077 63.074 63.100 0.086 0.000 0.781 445 P CB 0.952 32.671 31.700 0.032 0.000 0.906 446 H N 3.086 122.174 119.070 0.030 0.000 2.489 446 H HA 0.516 5.064 4.556 -0.013 0.000 0.343 446 H C -2.126 173.210 175.328 0.014 0.000 1.086 446 H CA -1.669 54.395 56.048 0.025 0.000 1.198 446 H CB 1.151 30.934 29.762 0.034 0.000 1.490 446 H HN 0.301 nan 8.280 nan 0.000 0.504 447 P HA 0.289 nan 4.420 nan 0.000 0.300 447 P C -1.327 175.826 177.300 -0.245 0.000 1.326 447 P CA -0.580 62.105 63.100 -0.692 0.000 0.844 447 P CB 1.717 32.974 31.700 -0.740 0.000 0.992 448 T N -1.067 113.403 114.554 -0.139 0.000 2.868 448 T HA 0.333 4.673 4.350 -0.017 0.000 0.306 448 T C 1.047 175.735 174.700 -0.020 0.000 1.224 448 T CA -0.891 61.177 62.100 -0.052 0.000 1.012 448 T CB 0.879 69.743 68.868 -0.006 0.000 1.221 448 T HN 0.107 nan 8.240 nan 0.000 0.499 449 L N 1.539 122.758 121.223 -0.006 0.000 2.141 449 L HA -0.039 4.290 4.340 -0.017 0.000 0.209 449 L C 3.068 179.948 176.870 0.017 0.000 1.094 449 L CA 1.595 56.443 54.840 0.013 0.000 0.763 449 L CB -0.571 41.493 42.059 0.009 0.000 0.908 449 L HN 0.967 nan 8.230 nan 0.000 0.437 450 S N -0.539 115.178 115.700 0.029 0.000 2.440 450 S HA -0.228 4.232 4.470 -0.017 0.000 0.238 450 S C 1.637 176.255 174.600 0.030 0.000 1.010 450 S CA 1.203 59.444 58.200 0.069 0.000 0.972 450 S CB -0.359 62.922 63.200 0.134 0.000 0.774 450 S HN 0.496 nan 8.310 nan 0.000 0.501 451 E N 1.071 121.258 120.200 -0.021 0.000 2.204 451 E HA -0.070 4.270 4.350 -0.017 0.000 0.195 451 E C 2.026 178.436 176.600 -0.317 0.000 0.990 451 E CA 1.099 57.398 56.400 -0.168 0.000 0.821 451 E CB -0.228 29.442 29.700 -0.049 0.000 0.750 451 E HN 0.614 nan 8.360 nan 0.000 0.477 452 S N 0.821 116.407 115.700 -0.191 0.000 2.399 452 S HA -0.121 4.339 4.470 -0.017 0.000 0.231 452 S C 1.847 176.336 174.600 -0.184 0.000 1.022 452 S CA 0.593 58.688 58.200 -0.175 0.000 0.983 452 S CB -0.056 63.241 63.200 0.161 0.000 0.803 452 S HN 0.258 nan 8.310 nan 0.000 0.480 453 L N 0.758 121.874 121.223 -0.178 0.000 2.044 453 L HA -0.039 4.291 4.340 -0.017 0.000 0.205 453 L C 2.490 179.203 176.870 -0.261 0.000 1.075 453 L CA 1.257 56.001 54.840 -0.160 0.000 0.747 453 L CB -0.286 41.718 42.059 -0.093 0.000 0.903 453 L HN 0.403 nan 8.230 nan 0.000 0.435 454 M N -0.493 118.804 119.600 -0.505 0.000 2.086 454 M HA -0.252 4.218 4.480 -0.017 0.000 0.261 454 M C 1.991 178.095 176.300 -0.326 0.000 1.067 454 M CA 1.860 56.847 55.300 -0.521 0.000 1.116 454 M CB -0.148 31.930 32.600 -0.870 0.000 1.348 454 M HN 0.210 nan 8.290 nan 0.000 0.407 455 E N 0.251 120.196 120.200 -0.426 0.000 2.150 455 E HA -0.156 4.184 4.350 -0.017 0.000 0.193 455 E C 2.000 178.483 176.600 -0.196 0.000 0.985 455 E CA 1.164 57.300 56.400 -0.441 0.000 0.814 455 E CB -0.206 28.835 29.700 -1.098 0.000 0.752 455 E HN 0.679 nan 8.360 nan 0.000 0.466 456 A N 1.741 124.488 122.820 -0.123 0.000 1.902 456 A HA -0.091 4.219 4.320 -0.017 0.000 0.217 456 A C 2.435 180.037 177.584 0.030 0.000 1.181 456 A CA 1.638 53.706 52.037 0.052 0.000 0.623 456 A CB -0.520 18.516 19.000 0.060 0.000 0.818 456 A HN 0.280 nan 8.150 nan 0.000 0.443 457 A N -0.099 122.691 122.820 -0.050 0.000 1.933 457 A HA -0.170 4.140 4.320 -0.017 0.000 0.218 457 A C 1.914 179.522 177.584 0.040 0.000 1.175 457 A CA 1.591 53.589 52.037 -0.066 0.000 0.628 457 A CB -0.479 18.460 19.000 -0.101 0.000 0.814 457 A HN 0.651 nan 8.150 nan 0.000 0.444 458 E N -0.246 119.978 120.200 0.039 0.000 2.107 458 E HA -0.059 4.281 4.350 -0.017 0.000 0.191 458 E C 2.267 178.946 176.600 0.132 0.000 0.982 458 E CA 0.791 57.252 56.400 0.102 0.000 0.809 458 E CB -0.270 29.441 29.700 0.018 0.000 0.756 458 E HN 0.615 nan 8.360 nan 0.000 0.459 459 A N 1.221 124.110 122.820 0.115 0.000 1.972 459 A HA -0.175 4.134 4.320 -0.017 0.000 0.219 459 A C 1.927 179.579 177.584 0.113 0.000 1.169 459 A CA 0.837 52.949 52.037 0.126 0.000 0.635 459 A CB -0.716 18.379 19.000 0.158 0.000 0.810 459 A HN 0.331 nan 8.150 nan 0.000 0.446 460 F N 0.491 120.393 119.950 -0.081 0.000 2.202 460 F HA -0.193 4.325 4.527 -0.015 0.000 0.301 460 F C 1.713 177.366 175.800 -0.245 0.000 1.082 460 F CA 2.068 59.952 58.000 -0.193 0.000 1.313 460 F CB -0.280 38.535 39.000 -0.309 0.000 1.024 460 F HN 0.434 nan 8.300 nan 0.000 0.495 461 H N 0.274 119.495 119.070 0.252 0.000 2.505 461 H HA 0.198 4.744 4.556 -0.018 0.000 0.289 461 H C 0.073 175.430 175.328 0.048 0.000 1.052 461 H CA -0.230 55.900 56.048 0.136 0.000 1.156 461 H CB 0.077 29.942 29.762 0.170 0.000 1.507 461 H HN -0.142 nan 8.280 nan 0.000 0.548 462 K N 0.935 121.397 120.400 0.103 0.000 3.071 462 K HA -0.236 4.074 4.320 -0.017 0.000 0.265 462 K C -0.112 176.531 176.600 0.072 0.000 1.060 462 K CA 0.940 57.266 56.287 0.064 0.000 0.767 462 K CB -2.067 30.453 32.500 0.032 0.000 1.241 462 K HN 0.794 nan 8.250 nan 0.000 0.486 463 Q N -2.017 117.837 119.800 0.091 0.000 2.063 463 Q HA 0.492 4.822 4.340 -0.017 0.000 0.245 463 Q C 0.185 176.210 176.000 0.041 0.000 0.828 463 Q CA -0.016 55.822 55.803 0.059 0.000 1.089 463 Q CB 0.828 29.599 28.738 0.055 0.000 1.232 463 Q HN 0.253 nan 8.270 nan 0.000 0.445 464 A N 1.117 123.973 122.820 0.060 0.000 2.507 464 A HA 0.212 4.522 4.320 -0.017 0.000 0.235 464 A C 0.859 178.454 177.584 0.017 0.000 1.070 464 A CA -0.047 52.022 52.037 0.054 0.000 0.768 464 A CB 0.203 19.294 19.000 0.151 0.000 1.011 464 A HN 0.453 nan 8.150 nan 0.000 0.502 465 I N 0.149 120.685 120.570 -0.056 0.000 3.172 465 I HA -0.014 4.146 4.170 -0.017 0.000 0.278 465 I C 1.497 177.537 176.117 -0.128 0.000 1.174 465 I CA 1.269 62.478 61.300 -0.152 0.000 1.445 465 I CB -1.358 36.447 38.000 -0.325 0.000 1.175 465 I HN 0.855 nan 8.210 nan 0.000 0.447 466 H N 1.393 120.558 119.070 0.159 0.000 2.547 466 H HA 0.276 4.822 4.556 -0.017 0.000 0.266 466 H C 0.342 175.797 175.328 0.213 0.000 0.988 466 H CA 0.088 56.269 56.048 0.222 0.000 1.147 466 H CB 0.195 30.156 29.762 0.333 0.000 1.365 466 H HN 0.290 nan 8.280 nan 0.000 0.589 467 I N -2.969 117.759 120.570 0.263 0.000 2.994 467 I HA 0.311 4.471 4.170 -0.017 0.000 0.306 467 I C -1.097 175.078 176.117 0.097 0.000 1.195 467 I CA -1.425 59.960 61.300 0.142 0.000 1.001 467 I CB 2.327 40.385 38.000 0.097 0.000 1.244 467 I HN -0.193 nan 8.210 nan 0.000 0.437 468 L N 4.003 125.261 121.223 0.058 0.000 2.367 468 L HA 0.350 4.679 4.340 -0.017 0.000 0.275 468 L C 0.416 177.311 176.870 0.041 0.000 1.129 468 L CA -0.154 54.710 54.840 0.041 0.000 0.839 468 L CB 0.157 42.233 42.059 0.027 0.000 1.133 468 L HN 0.622 nan 8.230 nan 0.000 0.453 469 N N 0.000 118.723 118.700 0.038 0.000 1.763 469 N HA 0.000 4.730 4.740 -0.017 0.000 0.220 469 N CA 0.000 53.071 53.050 0.036 0.000 0.885 469 N CB 0.000 38.510 38.487 0.039 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667