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 2eq6_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 0.000 176.230 176.300 -0.117 0.000 1.140 7 M CA 0.000 55.213 55.300 -0.145 0.000 0.988 7 M CB 0.000 32.551 32.600 -0.082 0.000 1.302 8 K N 2.576 122.889 120.400 -0.145 0.000 2.249 8 K HA 0.628 4.938 4.320 -0.016 0.000 0.280 8 K C -0.223 176.392 176.600 0.025 0.000 1.033 8 K CA -0.158 56.098 56.287 -0.051 0.000 0.946 8 K CB 1.275 33.838 32.500 0.105 0.000 1.005 8 K HN 0.601 nan 8.250 nan 0.000 0.469 9 T N -0.618 113.838 114.554 -0.163 0.000 2.885 9 T HA 0.674 5.014 4.350 -0.016 0.000 0.285 9 T C -0.770 173.719 174.700 -0.352 0.000 1.019 9 T CA -0.722 61.330 62.100 -0.079 0.000 1.010 9 T CB 0.520 69.360 68.868 -0.047 0.000 1.022 9 T HN 0.358 nan 8.240 nan 0.000 0.466 10 Y N -0.504 119.833 120.300 0.062 0.000 2.715 10 Y HA 0.442 4.983 4.550 -0.016 0.000 0.331 10 Y C 0.837 176.762 175.900 0.042 0.000 1.197 10 Y CA -1.365 56.766 58.100 0.051 0.000 1.079 10 Y CB 1.103 39.595 38.460 0.054 0.000 1.298 10 Y HN 0.548 nan 8.280 nan 0.000 0.477 11 D N 0.153 120.679 120.400 0.209 0.000 2.213 11 D HA 0.074 4.704 4.640 -0.016 0.000 0.205 11 D C -0.422 175.953 176.300 0.125 0.000 0.961 11 D CA 1.269 55.345 54.000 0.126 0.000 0.853 11 D CB 0.573 41.428 40.800 0.090 0.000 0.967 11 D HN 0.246 nan 8.370 nan 0.000 0.496 12 L N 0.081 121.387 121.223 0.138 0.000 2.505 12 L HA 0.431 4.761 4.340 -0.016 0.000 0.259 12 L C -1.896 174.988 176.870 0.024 0.000 0.952 12 L CA -0.550 54.338 54.840 0.081 0.000 0.840 12 L CB 2.345 44.431 42.059 0.044 0.000 1.358 12 L HN -0.248 nan 8.230 nan 0.000 0.409 13 I N 4.939 125.509 120.570 -0.001 0.000 2.418 13 I HA 0.529 4.689 4.170 -0.016 0.000 0.287 13 I C -0.918 175.161 176.117 -0.063 0.000 1.008 13 I CA -0.917 60.330 61.300 -0.088 0.000 1.104 13 I CB 2.040 39.996 38.000 -0.073 0.000 1.264 13 I HN 0.301 nan 8.210 nan 0.000 0.438 14 V N 7.445 127.302 119.914 -0.093 0.000 2.398 14 V HA 0.426 4.536 4.120 -0.016 0.000 0.286 14 V C 0.090 176.128 176.094 -0.092 0.000 1.026 14 V CA -0.480 61.782 62.300 -0.064 0.000 0.868 14 V CB 1.832 33.626 31.823 -0.048 0.000 0.982 14 V HN 0.470 nan 8.190 nan 0.000 0.443 15 I N 4.792 125.312 120.570 -0.082 0.000 2.306 15 I HA 0.706 4.866 4.170 -0.016 0.000 0.288 15 I C 0.682 176.742 176.117 -0.094 0.000 1.036 15 I CA 0.021 61.251 61.300 -0.117 0.000 1.221 15 I CB 1.104 39.022 38.000 -0.137 0.000 1.385 15 I HN 0.879 nan 8.210 nan 0.000 0.472 16 G N 3.401 112.148 108.800 -0.089 0.000 2.885 16 G HA2 -0.086 3.864 3.960 -0.016 0.000 0.685 16 G HA3 -0.086 3.864 3.960 -0.016 0.000 0.685 16 G C -0.135 174.760 174.900 -0.008 0.000 1.216 16 G CA -0.349 44.720 45.100 -0.052 0.000 0.790 16 G HN 0.697 nan 8.290 nan 0.000 0.631 17 T N -0.074 114.494 114.554 0.024 0.000 3.355 17 T HA 0.643 4.983 4.350 -0.016 0.000 0.276 17 T C 1.207 176.022 174.700 0.191 0.000 1.003 17 T CA 0.882 63.041 62.100 0.098 0.000 0.943 17 T CB 0.639 69.544 68.868 0.062 0.000 1.158 17 T HN 1.712 nan 8.240 nan 0.000 0.513 18 G N 2.003 110.877 108.800 0.123 0.000 2.535 18 G HA2 0.476 4.426 3.960 -0.016 0.000 0.282 18 G HA3 0.476 4.426 3.960 -0.016 0.000 0.282 18 G C -1.520 173.434 174.900 0.089 0.000 1.350 18 G CA -1.696 43.484 45.100 0.134 0.000 1.039 18 G HN 0.028 nan 8.290 nan 0.000 0.509 19 P HA -0.187 nan 4.420 nan 0.000 0.217 19 P C 2.006 179.019 177.300 -0.478 0.000 1.158 19 P CA 2.257 65.131 63.100 -0.377 0.000 0.887 19 P CB -0.021 31.553 31.700 -0.210 0.000 0.792 20 G N -0.924 107.731 108.800 -0.243 0.000 2.414 20 G HA2 -0.180 3.770 3.960 -0.016 0.000 0.215 20 G HA3 -0.180 3.770 3.960 -0.016 0.000 0.215 20 G C 1.835 176.673 174.900 -0.104 0.000 1.188 20 G CA 0.954 45.950 45.100 -0.173 0.000 0.783 20 G HN 0.375 nan 8.290 nan 0.000 0.537 21 G N 0.553 109.321 108.800 -0.054 0.000 2.446 21 G HA2 -0.252 3.698 3.960 -0.016 0.000 0.217 21 G HA3 -0.252 3.698 3.960 -0.016 0.000 0.217 21 G C 1.737 176.672 174.900 0.058 0.000 1.168 21 G CA 1.450 46.551 45.100 0.002 0.000 0.771 21 G HN 0.667 nan 8.290 nan 0.000 0.551 22 Y N -0.217 120.112 120.300 0.049 0.000 2.373 22 Y HA 0.132 4.671 4.550 -0.019 0.000 0.293 22 Y C 2.388 178.303 175.900 0.025 0.000 1.129 22 Y CA 1.184 59.301 58.100 0.027 0.000 1.226 22 Y CB -0.752 37.719 38.460 0.018 0.000 1.000 22 Y HN 0.269 nan 8.280 nan 0.000 0.549 23 H N 0.607 119.517 119.070 -0.267 0.000 2.363 23 H HA 0.093 4.639 4.556 -0.018 0.000 0.301 23 H C 2.360 177.648 175.328 -0.066 0.000 1.074 23 H CA 1.582 57.529 56.048 -0.168 0.000 1.354 23 H CB -0.373 29.232 29.762 -0.262 0.000 1.397 23 H HN 0.487 nan 8.280 nan 0.000 0.516 24 A N 0.652 123.497 122.820 0.042 0.000 1.877 24 A HA -0.104 4.206 4.320 -0.016 0.000 0.216 24 A C 2.533 180.115 177.584 -0.004 0.000 1.186 24 A CA 1.680 53.718 52.037 0.001 0.000 0.620 24 A CB -1.115 17.874 19.000 -0.018 0.000 0.822 24 A HN 0.466 nan 8.150 nan 0.000 0.443 25 A N -0.042 122.786 122.820 0.013 0.000 1.877 25 A HA -0.101 4.209 4.320 -0.016 0.000 0.216 25 A C 2.149 179.736 177.584 0.006 0.000 1.186 25 A CA 1.619 53.660 52.037 0.008 0.000 0.620 25 A CB -0.626 18.385 19.000 0.019 0.000 0.822 25 A HN 0.498 nan 8.150 nan 0.000 0.443 26 I N -1.223 119.355 120.570 0.013 0.000 2.252 26 I HA -0.211 3.949 4.170 -0.016 0.000 0.245 26 I C 2.676 178.780 176.117 -0.021 0.000 1.102 26 I CA 1.602 62.897 61.300 -0.008 0.000 1.385 26 I CB -0.252 37.737 38.000 -0.020 0.000 1.064 26 I HN 0.269 nan 8.210 nan 0.000 0.414 27 R N 1.790 122.274 120.500 -0.025 0.000 2.096 27 R HA -0.095 4.236 4.340 -0.016 0.000 0.235 27 R C 2.137 178.426 176.300 -0.019 0.000 1.127 27 R CA 1.851 57.937 56.100 -0.023 0.000 0.968 27 R CB -0.782 29.508 30.300 -0.017 0.000 0.861 27 R HN 0.342 nan 8.270 nan 0.000 0.440 28 A N 0.167 122.975 122.820 -0.019 0.000 1.902 28 A HA -0.001 4.309 4.320 -0.016 0.000 0.217 28 A C 2.362 179.944 177.584 -0.003 0.000 1.181 28 A CA 1.725 53.752 52.037 -0.016 0.000 0.623 28 A CB -0.996 17.994 19.000 -0.018 0.000 0.818 28 A HN 0.466 nan 8.150 nan 0.000 0.443 29 A N -0.586 122.233 122.820 -0.001 0.000 1.902 29 A HA -0.201 4.109 4.320 -0.016 0.000 0.217 29 A C 2.086 179.670 177.584 0.001 0.000 1.181 29 A CA 1.589 53.629 52.037 0.005 0.000 0.623 29 A CB -0.578 18.424 19.000 0.004 0.000 0.818 29 A HN 0.651 nan 8.150 nan 0.000 0.443 30 Q N -0.531 119.266 119.800 -0.006 0.000 2.170 30 Q HA -0.021 4.309 4.340 -0.016 0.000 0.203 30 Q C 1.351 177.348 176.000 -0.004 0.000 0.976 30 Q CA 1.026 56.825 55.803 -0.007 0.000 0.858 30 Q CB -0.268 28.462 28.738 -0.013 0.000 0.907 30 Q HN 0.648 nan 8.270 nan 0.000 0.433 31 L N -0.619 120.601 121.223 -0.004 0.000 2.627 31 L HA 0.163 4.493 4.340 -0.016 0.000 0.232 31 L C 0.956 177.829 176.870 0.004 0.000 1.150 31 L CA 0.305 55.144 54.840 -0.001 0.000 0.917 31 L CB -0.014 42.043 42.059 -0.005 0.000 1.104 31 L HN 0.401 nan 8.230 nan 0.000 0.445 32 G N 0.005 108.810 108.800 0.007 0.000 2.157 32 G HA2 -0.244 3.707 3.960 -0.016 0.000 0.248 32 G HA3 -0.244 3.707 3.960 -0.016 0.000 0.248 32 G C 0.191 175.103 174.900 0.020 0.000 0.979 32 G CA -0.312 44.795 45.100 0.012 0.000 0.650 32 G HN 0.211 nan 8.290 nan 0.000 0.529 33 L N 0.255 121.492 121.223 0.023 0.000 2.399 33 L HA 0.675 5.005 4.340 -0.016 0.000 0.266 33 L C 1.025 177.927 176.870 0.054 0.000 1.114 33 L CA -0.212 54.651 54.840 0.037 0.000 0.804 33 L CB 0.856 42.936 42.059 0.034 0.000 1.146 33 L HN 0.248 nan 8.230 nan 0.000 0.451 34 K N 2.852 123.300 120.400 0.080 0.000 2.284 34 K HA 0.564 4.874 4.320 -0.016 0.000 0.287 34 K C -0.703 176.009 176.600 0.186 0.000 1.081 34 K CA -0.378 55.985 56.287 0.126 0.000 0.910 34 K CB 0.658 33.228 32.500 0.117 0.000 1.088 34 K HN 0.390 nan 8.250 nan 0.000 0.478 35 V N 2.310 122.308 119.914 0.139 0.000 2.581 35 V HA 0.628 4.738 4.120 -0.016 0.000 0.303 35 V C -0.619 175.433 176.094 -0.069 0.000 1.041 35 V CA -1.053 61.279 62.300 0.052 0.000 0.907 35 V CB 1.557 33.383 31.823 0.006 0.000 0.994 35 V HN 0.821 nan 8.190 nan 0.000 0.442 36 L N 3.828 124.863 121.223 -0.313 0.000 2.356 36 L HA 0.915 5.246 4.340 -0.016 0.000 0.277 36 L C -0.062 176.617 176.870 -0.319 0.000 0.996 36 L CA -0.236 54.277 54.840 -0.545 0.000 0.822 36 L CB 1.316 42.633 42.059 -1.236 0.000 1.256 36 L HN 0.792 nan 8.230 nan 0.000 0.413 37 A N 5.125 127.807 122.820 -0.229 0.000 2.318 37 A HA 0.792 5.102 4.320 -0.016 0.000 0.324 37 A C -1.185 176.289 177.584 -0.182 0.000 1.170 37 A CA -0.547 51.394 52.037 -0.159 0.000 0.810 37 A CB 1.297 20.245 19.000 -0.087 0.000 1.198 37 A HN 0.528 nan 8.150 nan 0.000 0.484 38 V N 1.974 121.780 119.914 -0.180 0.000 2.459 38 V HA 0.629 4.739 4.120 -0.016 0.000 0.295 38 V C -0.364 175.651 176.094 -0.132 0.000 1.029 38 V CA -0.482 61.707 62.300 -0.186 0.000 0.874 38 V CB 1.478 33.161 31.823 -0.234 0.000 0.985 38 V HN 0.974 nan 8.190 nan 0.000 0.438 39 E N 3.130 123.270 120.200 -0.102 0.000 2.260 39 E HA 0.692 5.032 4.350 -0.016 0.000 0.266 39 E C 0.239 176.818 176.600 -0.036 0.000 0.887 39 E CA -0.098 56.263 56.400 -0.064 0.000 0.777 39 E CB 1.856 31.531 29.700 -0.042 0.000 1.205 39 E HN 0.640 nan 8.360 nan 0.000 0.414 40 A N 3.164 125.978 122.820 -0.011 0.000 2.072 40 A HA 0.388 4.698 4.320 -0.016 0.000 0.216 40 A C 1.102 178.724 177.584 0.062 0.000 1.156 40 A CA 1.289 53.368 52.037 0.070 0.000 0.701 40 A CB -0.056 19.070 19.000 0.210 0.000 0.816 40 A HN 0.607 nan 8.150 nan 0.000 0.458 41 G N -1.123 107.696 108.800 0.032 0.000 3.392 41 G HA2 0.459 4.409 3.960 -0.016 0.000 0.185 41 G HA3 0.459 4.409 3.960 -0.016 0.000 0.185 41 G C -0.901 173.999 174.900 -0.001 0.000 1.206 41 G CA -0.349 44.763 45.100 0.018 0.000 0.776 41 G HN 0.071 nan 8.290 nan 0.000 0.697 42 E N 0.643 120.838 120.200 -0.007 0.000 2.283 42 E HA 0.383 4.723 4.350 -0.016 0.000 0.278 42 E C 0.002 176.592 176.600 -0.017 0.000 1.027 42 E CA -0.360 56.029 56.400 -0.018 0.000 0.843 42 E CB 2.037 31.723 29.700 -0.025 0.000 1.062 42 E HN 0.089 nan 8.360 nan 0.000 0.401 43 V N 2.013 121.910 119.914 -0.028 0.000 2.673 43 V HA 0.252 4.362 4.120 -0.016 0.000 0.303 43 V C 1.503 177.580 176.094 -0.027 0.000 1.046 43 V CA 1.692 63.973 62.300 -0.031 0.000 1.126 43 V CB 0.669 32.456 31.823 -0.059 0.000 0.934 43 V HN 1.026 nan 8.190 nan 0.000 0.487 44 G N 2.658 111.467 108.800 0.015 0.000 2.218 44 G HA2 0.118 4.068 3.960 -0.016 0.000 0.216 44 G HA3 0.118 4.068 3.960 -0.016 0.000 0.216 44 G C 0.923 175.883 174.900 0.100 0.000 0.994 44 G CA 0.162 45.296 45.100 0.057 0.000 0.637 44 G HN 2.249 nan 8.290 nan 0.000 0.505 45 G N -1.255 107.579 108.800 0.057 0.000 2.601 45 G HA2 -0.038 3.912 3.960 -0.016 0.000 0.252 45 G HA3 -0.038 3.912 3.960 -0.016 0.000 0.252 45 G C 1.095 176.006 174.900 0.020 0.000 1.294 45 G CA 1.095 46.219 45.100 0.041 0.000 0.912 45 G HN 1.287 nan 8.290 nan 0.000 0.574 46 V N -0.022 119.900 119.914 0.012 0.000 2.307 46 V HA -0.222 3.888 4.120 -0.016 0.000 0.245 46 V C 3.155 179.246 176.094 -0.004 0.000 1.045 46 V CA 2.863 65.162 62.300 -0.002 0.000 1.024 46 V CB -1.052 30.769 31.823 -0.003 0.000 0.651 46 V HN 1.117 nan 8.190 nan 0.000 0.449 47 c N -0.054 118.551 118.600 0.008 0.000 2.398 47 c HA -0.199 4.361 4.570 -0.016 0.000 0.276 47 c C 2.555 176.642 174.090 -0.004 0.000 1.222 47 c CA 1.537 57.868 56.329 0.005 0.000 1.746 47 c CB -1.069 41.455 42.510 0.023 0.000 2.039 47 c HN 0.531 nan 8.230 nan 0.000 0.470 48 L N 1.100 122.332 121.223 0.015 0.000 2.179 48 L HA 0.034 4.364 4.340 -0.016 0.000 0.208 48 L C 2.408 179.252 176.870 -0.042 0.000 1.096 48 L CA 1.605 56.439 54.840 -0.010 0.000 0.779 48 L CB -0.782 41.282 42.059 0.008 0.000 0.922 48 L HN 0.442 nan 8.230 nan 0.000 0.443 49 N N -0.734 117.945 118.700 -0.034 0.000 2.349 49 N HA 0.037 4.767 4.740 -0.016 0.000 0.180 49 N C 1.141 176.617 175.510 -0.057 0.000 1.024 49 N CA 1.600 54.620 53.050 -0.049 0.000 0.869 49 N CB 0.738 39.202 38.487 -0.038 0.000 1.022 49 N HN 0.295 nan 8.380 nan 0.000 0.433 50 V N -3.237 116.649 119.914 -0.047 0.000 3.111 50 V HA 0.628 4.738 4.120 -0.016 0.000 0.343 50 V C 0.603 176.672 176.094 -0.041 0.000 1.417 50 V CA -0.108 62.161 62.300 -0.051 0.000 1.142 50 V CB 0.549 32.340 31.823 -0.054 0.000 1.114 50 V HN 0.132 nan 8.190 nan 0.000 0.520 51 G N -0.230 108.546 108.800 -0.039 0.000 3.054 51 G HA2 0.174 4.124 3.960 -0.016 0.000 0.201 51 G HA3 0.174 4.124 3.960 -0.016 0.000 0.201 51 G C 1.022 175.892 174.900 -0.050 0.000 1.694 51 G CA 0.731 45.813 45.100 -0.031 0.000 0.742 51 G HN 0.242 nan 8.290 nan 0.000 0.790 52 c N 0.995 119.562 118.600 -0.055 0.000 2.336 52 c HA -0.129 4.431 4.570 -0.016 0.000 0.275 52 c C 2.805 176.812 174.090 -0.139 0.000 1.175 52 c CA 0.761 57.026 56.329 -0.106 0.000 1.771 52 c CB -1.233 41.228 42.510 -0.082 0.000 2.030 52 c HN 0.415 nan 8.230 nan 0.000 0.442 53 I N 2.178 122.683 120.570 -0.109 0.000 2.099 53 I HA -0.117 4.043 4.170 -0.016 0.000 0.239 53 I C 0.154 176.182 176.117 -0.149 0.000 1.066 53 I CA 1.889 63.112 61.300 -0.128 0.000 1.324 53 I CB -2.870 35.063 38.000 -0.112 0.000 1.037 53 I HN 0.276 nan 8.210 nan 0.000 0.401 54 P HA -0.109 nan 4.420 nan 0.000 0.218 54 P C 1.623 178.870 177.300 -0.089 0.000 1.149 54 P CA 1.616 64.635 63.100 -0.135 0.000 0.817 54 P CB -0.234 31.402 31.700 -0.106 0.000 0.785 55 T N 0.223 114.737 114.554 -0.066 0.000 2.777 55 T HA -0.088 4.252 4.350 -0.016 0.000 0.266 55 T C 1.860 176.546 174.700 -0.024 0.000 1.040 55 T CA 1.542 63.626 62.100 -0.026 0.000 1.141 55 T CB -0.395 68.461 68.868 -0.020 0.000 0.868 55 T HN 0.084 nan 8.240 nan 0.000 0.444 56 K N 1.364 121.710 120.400 -0.091 0.000 2.148 56 K HA 0.168 4.478 4.320 -0.016 0.000 0.204 56 K C 2.329 178.961 176.600 0.053 0.000 1.050 56 K CA 0.984 57.229 56.287 -0.070 0.000 0.942 56 K CB -0.550 31.830 32.500 -0.200 0.000 0.724 56 K HN 0.308 nan 8.250 nan 0.000 0.446 57 A N 0.556 123.371 122.820 -0.009 0.000 1.877 57 A HA -0.129 4.181 4.320 -0.016 0.000 0.216 57 A C 2.081 179.831 177.584 0.276 0.000 1.186 57 A CA 1.324 53.386 52.037 0.042 0.000 0.620 57 A CB -0.661 18.089 19.000 -0.418 0.000 0.822 57 A HN 0.204 nan 8.150 nan 0.000 0.443 58 L N -0.758 120.548 121.223 0.139 0.000 2.046 58 L HA -0.162 4.168 4.340 -0.016 0.000 0.208 58 L C 2.551 179.512 176.870 0.152 0.000 1.077 58 L CA 0.960 55.891 54.840 0.150 0.000 0.747 58 L CB -0.548 41.552 42.059 0.068 0.000 0.896 58 L HN 0.361 nan 8.230 nan 0.000 0.432 59 L N -0.938 120.373 121.223 0.147 0.000 2.083 59 L HA -0.255 4.075 4.340 -0.016 0.000 0.209 59 L C 2.671 179.650 176.870 0.181 0.000 1.083 59 L CA 1.141 56.070 54.840 0.148 0.000 0.752 59 L CB -0.581 41.573 42.059 0.159 0.000 0.899 59 L HN 0.320 nan 8.230 nan 0.000 0.433 60 H N -0.090 119.075 119.070 0.159 0.000 2.357 60 H HA -0.094 4.451 4.556 -0.018 0.000 0.301 60 H C 2.107 177.509 175.328 0.124 0.000 1.082 60 H CA 1.446 57.589 56.048 0.158 0.000 1.342 60 H CB 0.088 29.982 29.762 0.219 0.000 1.389 60 H HN 0.255 nan 8.280 nan 0.000 0.511 61 A N 0.808 123.664 122.820 0.059 0.000 1.902 61 A HA -0.034 4.276 4.320 -0.016 0.000 0.217 61 A C 2.599 180.149 177.584 -0.057 0.000 1.181 61 A CA 1.665 53.665 52.037 -0.062 0.000 0.623 61 A CB -1.295 17.756 19.000 0.084 0.000 0.818 61 A HN 0.610 nan 8.150 nan 0.000 0.443 62 A N -0.224 122.604 122.820 0.012 0.000 1.930 62 A HA -0.122 4.188 4.320 -0.016 0.000 0.217 62 A C 1.973 179.583 177.584 0.044 0.000 1.175 62 A CA 2.097 54.149 52.037 0.025 0.000 0.627 62 A CB -0.418 18.604 19.000 0.037 0.000 0.815 62 A HN 0.552 nan 8.150 nan 0.000 0.443 63 E N -0.180 120.036 120.200 0.027 0.000 2.152 63 E HA -0.093 4.247 4.350 -0.016 0.000 0.192 63 E C 1.873 178.507 176.600 0.056 0.000 0.983 63 E CA 1.917 58.358 56.400 0.068 0.000 0.818 63 E CB -0.650 29.086 29.700 0.059 0.000 0.758 63 E HN 0.460 nan 8.360 nan 0.000 0.467 64 T N 0.934 115.432 114.554 -0.092 0.000 2.777 64 T HA -0.112 4.228 4.350 -0.016 0.000 0.266 64 T C 1.630 176.329 174.700 -0.003 0.000 1.040 64 T CA 1.207 63.250 62.100 -0.096 0.000 1.141 64 T CB -0.317 68.396 68.868 -0.259 0.000 0.868 64 T HN 0.153 nan 8.240 nan 0.000 0.444 65 L N 0.620 121.841 121.223 -0.003 0.000 2.027 65 L HA -0.005 4.326 4.340 -0.016 0.000 0.206 65 L C 2.293 179.190 176.870 0.045 0.000 1.074 65 L CA 1.988 56.834 54.840 0.011 0.000 0.745 65 L CB -0.809 41.255 42.059 0.010 0.000 0.898 65 L HN 0.312 nan 8.230 nan 0.000 0.433 66 H N -1.716 117.361 119.070 0.011 0.000 2.319 66 H HA -0.247 4.298 4.556 -0.019 0.000 0.299 66 H C 2.219 177.573 175.328 0.043 0.000 1.092 66 H CA 2.224 58.288 56.048 0.026 0.000 1.302 66 H CB -0.193 29.597 29.762 0.046 0.000 1.373 66 H HN 0.586 nan 8.280 nan 0.000 0.497 67 H N -0.169 118.884 119.070 -0.028 0.000 2.489 67 H HA -0.042 4.511 4.556 -0.006 0.000 0.293 67 H C 2.084 177.332 175.328 -0.135 0.000 1.066 67 H CA 1.244 57.251 56.048 -0.068 0.000 1.305 67 H CB -0.245 29.541 29.762 0.041 0.000 1.386 67 H HN 0.384 nan 8.280 nan 0.000 0.551 68 L N -0.149 120.993 121.223 -0.134 0.000 2.191 68 L HA -0.175 4.155 4.340 -0.016 0.000 0.212 68 L C 2.236 178.931 176.870 -0.292 0.000 1.103 68 L CA 1.286 56.011 54.840 -0.191 0.000 0.769 68 L CB -0.231 41.765 42.059 -0.105 0.000 0.908 68 L HN 0.306 nan 8.230 nan 0.000 0.438 69 K N -0.514 119.699 120.400 -0.312 0.000 2.103 69 K HA -0.079 4.231 4.320 -0.016 0.000 0.204 69 K C 2.046 178.428 176.600 -0.364 0.000 1.052 69 K CA 0.914 57.018 56.287 -0.305 0.000 0.945 69 K CB -0.087 32.234 32.500 -0.297 0.000 0.722 69 K HN 0.116 nan 8.250 nan 0.000 0.443 70 V N 1.614 121.251 119.914 -0.462 0.000 2.358 70 V HA -0.210 3.901 4.120 -0.016 0.000 0.246 70 V C 2.352 178.066 176.094 -0.634 0.000 1.047 70 V CA 1.938 63.962 62.300 -0.460 0.000 1.035 70 V CB -0.662 30.869 31.823 -0.487 0.000 0.658 70 V HN 0.318 nan 8.190 nan 0.000 0.452 71 A N -0.413 121.892 122.820 -0.857 0.000 2.076 71 A HA -0.251 4.059 4.320 -0.016 0.000 0.220 71 A C 2.117 179.022 177.584 -1.132 0.000 1.160 71 A CA 1.728 52.914 52.037 -1.418 0.000 0.653 71 A CB -0.497 18.000 19.000 -0.838 0.000 0.801 71 A HN 0.643 nan 8.150 nan 0.000 0.455 72 E N -0.685 119.159 120.200 -0.594 0.000 2.209 72 E HA -0.143 4.197 4.350 -0.016 0.000 0.196 72 E C 2.015 178.416 176.600 -0.331 0.000 0.993 72 E CA 0.629 56.806 56.400 -0.370 0.000 0.819 72 E CB -0.321 29.234 29.700 -0.243 0.000 0.745 72 E HN 0.662 nan 8.360 nan 0.000 0.477 73 G N 1.212 109.782 108.800 -0.383 0.000 2.448 73 G HA2 -0.220 3.730 3.960 -0.016 0.000 0.219 73 G HA3 -0.220 3.730 3.960 -0.016 0.000 0.219 73 G C 0.933 175.785 174.900 -0.081 0.000 1.127 73 G CA 0.521 45.500 45.100 -0.201 0.000 0.766 73 G HN 0.335 nan 8.290 nan 0.000 0.552 74 F N -1.209 118.710 119.950 -0.051 0.000 2.850 74 F HA 0.596 5.112 4.527 -0.018 0.000 0.306 74 F C 1.230 177.013 175.800 -0.029 0.000 1.162 74 F CA -1.673 56.307 58.000 -0.033 0.000 1.327 74 F CB 0.006 38.992 39.000 -0.024 0.000 0.953 74 F HN 0.116 nan 8.300 nan 0.000 0.507 75 G N 0.855 109.688 108.800 0.053 0.000 2.176 75 G HA2 -0.293 3.658 3.960 -0.016 0.000 0.253 75 G HA3 -0.293 3.658 3.960 -0.016 0.000 0.253 75 G C -0.385 174.527 174.900 0.019 0.000 0.979 75 G CA 0.045 45.174 45.100 0.049 0.000 0.641 75 G HN 0.491 nan 8.290 nan 0.000 0.530 76 L N 1.660 122.852 121.223 -0.051 0.000 2.282 76 L HA 0.713 5.043 4.340 -0.016 0.000 0.287 76 L C 0.590 177.389 176.870 -0.119 0.000 1.075 76 L CA 0.221 55.031 54.840 -0.051 0.000 0.839 76 L CB -0.193 41.855 42.059 -0.020 0.000 1.219 76 L HN 0.509 nan 8.230 nan 0.000 0.434 77 K N 3.842 124.201 120.400 -0.069 0.000 2.183 77 K HA 0.942 5.252 4.320 -0.016 0.000 0.274 77 K C -0.433 176.132 176.600 -0.057 0.000 1.009 77 K CA 0.048 56.291 56.287 -0.074 0.000 0.888 77 K CB 1.313 33.782 32.500 -0.053 0.000 1.078 77 K HN 0.968 nan 8.250 nan 0.000 0.459 81 P HA 0.454 nan 4.420 nan 0.000 0.264 81 P C -0.250 177.035 177.300 -0.025 0.000 1.193 81 P CA 0.555 63.636 63.100 -0.032 0.000 0.763 81 P CB 1.094 32.772 31.700 -0.037 0.000 0.810 82 E N 3.019 123.205 120.200 -0.023 0.000 2.220 82 E HA 0.397 4.737 4.350 -0.016 0.000 0.256 82 E C -1.297 175.292 176.600 -0.019 0.000 0.881 82 E CA -0.884 55.505 56.400 -0.018 0.000 0.766 82 E CB 1.228 30.919 29.700 -0.015 0.000 1.187 82 E HN 0.535 nan 8.360 nan 0.000 0.419 83 L N 2.508 123.721 121.223 -0.017 0.000 2.257 83 L HA 0.395 4.725 4.340 -0.016 0.000 0.290 83 L C -0.424 176.440 176.870 -0.009 0.000 1.044 83 L CA -0.650 54.179 54.840 -0.017 0.000 0.810 83 L CB 1.754 43.803 42.059 -0.017 0.000 1.193 83 L HN 0.587 nan 8.230 nan 0.000 0.425 84 D N 4.906 125.302 120.400 -0.007 0.000 2.393 84 D HA 0.097 4.727 4.640 -0.016 0.000 0.232 84 D C 1.165 177.471 176.300 0.010 0.000 1.192 84 D CA -0.033 53.968 54.000 0.002 0.000 0.882 84 D CB 0.771 41.572 40.800 0.002 0.000 1.038 84 D HN 0.661 nan 8.370 nan 0.000 0.499 85 L N 3.600 124.828 121.223 0.009 0.000 2.083 85 L HA -0.160 4.171 4.340 -0.016 0.000 0.209 85 L C 2.492 179.376 176.870 0.023 0.000 1.083 85 L CA 0.962 55.809 54.840 0.012 0.000 0.752 85 L CB -0.280 41.781 42.059 0.003 0.000 0.899 85 L HN 0.391 nan 8.230 nan 0.000 0.433 86 K N 1.007 121.420 120.400 0.022 0.000 2.057 86 K HA -0.259 4.051 4.320 -0.016 0.000 0.207 86 K C 2.233 178.857 176.600 0.040 0.000 1.049 86 K CA 1.692 57.994 56.287 0.025 0.000 0.931 86 K CB 0.056 32.568 32.500 0.020 0.000 0.714 86 K HN -0.004 nan 8.250 nan 0.000 0.440 87 K N 0.672 121.097 120.400 0.042 0.000 2.097 87 K HA -0.125 4.185 4.320 -0.016 0.000 0.205 87 K C 2.025 178.692 176.600 0.111 0.000 1.050 87 K CA 0.954 57.278 56.287 0.060 0.000 0.938 87 K CB -0.277 32.243 32.500 0.034 0.000 0.718 87 K HN 0.165 nan 8.250 nan 0.000 0.442 88 L N 0.385 121.670 121.223 0.103 0.000 2.017 88 L HA 0.014 4.344 4.340 -0.016 0.000 0.208 88 L C 2.105 179.091 176.870 0.193 0.000 1.073 88 L CA 2.444 57.389 54.840 0.176 0.000 0.745 88 L CB -1.217 40.910 42.059 0.113 0.000 0.894 88 L HN 0.294 nan 8.230 nan 0.000 0.432 89 G N -1.165 107.693 108.800 0.097 0.000 2.422 89 G HA2 -0.202 3.748 3.960 -0.016 0.000 0.218 89 G HA3 -0.202 3.748 3.960 -0.016 0.000 0.218 89 G C 1.506 176.438 174.900 0.054 0.000 1.146 89 G CA 0.590 45.721 45.100 0.052 0.000 0.769 89 G HN 0.619 nan 8.290 nan 0.000 0.547 90 G N -0.129 108.720 108.800 0.083 0.000 2.418 90 G HA2 -0.228 3.722 3.960 -0.016 0.000 0.217 90 G HA3 -0.228 3.722 3.960 -0.016 0.000 0.217 90 G C 1.572 176.544 174.900 0.121 0.000 1.158 90 G CA 0.953 46.100 45.100 0.079 0.000 0.771 90 G HN 0.474 nan 8.290 nan 0.000 0.545 91 W N 1.523 122.820 121.300 -0.004 0.000 2.381 91 W HA -0.004 4.641 4.660 -0.024 0.000 0.301 91 W C 2.638 179.156 176.519 -0.001 0.000 1.205 91 W CA 1.380 58.726 57.345 0.001 0.000 1.285 91 W CB -0.270 29.196 29.460 0.011 0.000 1.133 91 W HN 0.120 nan 8.180 nan 0.000 0.521 92 R N 0.441 120.831 120.500 -0.183 0.000 2.083 92 R HA -0.199 4.131 4.340 -0.016 0.000 0.237 92 R C 1.742 177.863 176.300 -0.299 0.000 1.137 92 R CA 2.298 58.164 56.100 -0.389 0.000 0.951 92 R CB -0.832 29.372 30.300 -0.160 0.000 0.851 92 R HN 0.094 nan 8.270 nan 0.000 0.434 93 D N 0.171 120.478 120.400 -0.155 0.000 2.144 93 D HA -0.206 4.424 4.640 -0.016 0.000 0.199 93 D C 1.846 178.069 176.300 -0.128 0.000 0.984 93 D CA 1.076 55.006 54.000 -0.117 0.000 0.834 93 D CB -0.244 40.520 40.800 -0.061 0.000 0.955 93 D HN 0.443 nan 8.370 nan 0.000 0.465 94 Q N 0.624 120.348 119.800 -0.127 0.000 2.079 94 Q HA -0.116 4.214 4.340 -0.016 0.000 0.200 94 Q C 2.127 178.030 176.000 -0.161 0.000 0.974 94 Q CA 0.997 56.742 55.803 -0.097 0.000 0.840 94 Q CB 0.175 28.906 28.738 -0.013 0.000 0.898 94 Q HN 0.075 nan 8.270 nan 0.000 0.430 95 V N 0.170 119.892 119.914 -0.320 0.000 2.295 95 V HA -0.253 3.857 4.120 -0.016 0.000 0.246 95 V C 2.372 178.338 176.094 -0.213 0.000 1.049 95 V CA 1.553 63.658 62.300 -0.324 0.000 1.024 95 V CB -0.511 30.965 31.823 -0.578 0.000 0.648 95 V HN 0.253 nan 8.190 nan 0.000 0.447 96 V N 0.009 119.797 119.914 -0.210 0.000 2.287 96 V HA -0.330 3.781 4.120 -0.016 0.000 0.248 96 V C 2.453 178.481 176.094 -0.109 0.000 1.053 96 V CA 2.520 64.733 62.300 -0.145 0.000 1.027 96 V CB -0.698 31.046 31.823 -0.131 0.000 0.646 96 V HN 0.572 nan 8.190 nan 0.000 0.447 97 K N 0.103 120.443 120.400 -0.100 0.000 2.063 97 K HA -0.233 4.078 4.320 -0.016 0.000 0.208 97 K C 2.234 178.791 176.600 -0.071 0.000 1.048 97 K CA 1.669 57.911 56.287 -0.075 0.000 0.928 97 K CB -0.121 32.342 32.500 -0.060 0.000 0.713 97 K HN 0.425 nan 8.250 nan 0.000 0.442 98 K N 0.480 120.835 120.400 -0.074 0.000 2.057 98 K HA -0.115 4.195 4.320 -0.016 0.000 0.207 98 K C 2.173 178.730 176.600 -0.071 0.000 1.049 98 K CA 1.462 57.712 56.287 -0.062 0.000 0.931 98 K CB -0.120 32.348 32.500 -0.053 0.000 0.714 98 K HN 0.177 nan 8.250 nan 0.000 0.440 99 L N 0.748 121.922 121.223 -0.083 0.000 2.072 99 L HA -0.140 4.190 4.340 -0.016 0.000 0.205 99 L C 2.750 179.556 176.870 -0.107 0.000 1.079 99 L CA 1.564 56.352 54.840 -0.087 0.000 0.752 99 L CB -1.026 40.985 42.059 -0.079 0.000 0.906 99 L HN 0.389 nan 8.230 nan 0.000 0.436 100 T N -3.256 111.239 114.554 -0.098 0.000 2.904 100 T HA -0.055 4.285 4.350 -0.016 0.000 0.267 100 T C 1.928 176.563 174.700 -0.109 0.000 1.059 100 T CA 0.899 62.936 62.100 -0.106 0.000 1.137 100 T CB -0.679 68.142 68.868 -0.079 0.000 0.879 100 T HN 0.357 nan 8.240 nan 0.000 0.467 101 G N 1.233 109.980 108.800 -0.088 0.000 2.408 101 G HA2 0.117 4.068 3.960 -0.016 0.000 0.217 101 G HA3 0.117 4.068 3.960 -0.016 0.000 0.217 101 G C 1.699 176.544 174.900 -0.091 0.000 1.150 101 G CA 0.555 45.608 45.100 -0.078 0.000 0.776 101 G HN 0.633 nan 8.290 nan 0.000 0.542 102 G N 0.444 109.183 108.800 -0.100 0.000 2.422 102 G HA2 -0.142 3.808 3.960 -0.016 0.000 0.218 102 G HA3 -0.142 3.808 3.960 -0.016 0.000 0.218 102 G C 1.747 176.553 174.900 -0.157 0.000 1.146 102 G CA 1.179 46.214 45.100 -0.108 0.000 0.769 102 G HN 0.315 nan 8.290 nan 0.000 0.547 103 V N 1.450 121.228 119.914 -0.226 0.000 2.427 103 V HA -0.038 4.072 4.120 -0.016 0.000 0.248 103 V C 3.120 179.076 176.094 -0.230 0.000 1.051 103 V CA 1.884 63.973 62.300 -0.352 0.000 1.048 103 V CB -0.900 30.588 31.823 -0.558 0.000 0.666 103 V HN 0.435 nan 8.190 nan 0.000 0.456 104 G N -0.380 108.324 108.800 -0.160 0.000 2.418 104 G HA2 -0.243 3.707 3.960 -0.016 0.000 0.217 104 G HA3 -0.243 3.707 3.960 -0.016 0.000 0.217 104 G C 1.691 176.539 174.900 -0.087 0.000 1.158 104 G CA 1.561 46.597 45.100 -0.107 0.000 0.771 104 G HN 0.466 nan 8.290 nan 0.000 0.545 105 T N 1.099 115.602 114.554 -0.086 0.000 2.821 105 T HA -0.045 4.295 4.350 -0.016 0.000 0.267 105 T C 2.270 176.929 174.700 -0.068 0.000 1.046 105 T CA 0.659 62.720 62.100 -0.066 0.000 1.139 105 T CB -0.123 68.709 68.868 -0.060 0.000 0.871 105 T HN 0.031 nan 8.240 nan 0.000 0.454 106 L N 0.793 121.960 121.223 -0.093 0.000 2.027 106 L HA 0.098 4.428 4.340 -0.016 0.000 0.206 106 L C 2.266 179.096 176.870 -0.067 0.000 1.074 106 L CA 1.392 56.180 54.840 -0.086 0.000 0.745 106 L CB -1.079 40.905 42.059 -0.125 0.000 0.898 106 L HN 0.281 nan 8.230 nan 0.000 0.433 107 L N -0.822 120.356 121.223 -0.076 0.000 2.017 107 L HA -0.272 4.059 4.340 -0.016 0.000 0.208 107 L C 2.595 179.445 176.870 -0.033 0.000 1.073 107 L CA 1.531 56.342 54.840 -0.047 0.000 0.745 107 L CB -0.557 41.472 42.059 -0.051 0.000 0.894 107 L HN 0.275 nan 8.230 nan 0.000 0.432 108 K N 0.240 120.618 120.400 -0.036 0.000 2.026 108 K HA -0.155 4.156 4.320 -0.016 0.000 0.208 108 K C 2.005 178.594 176.600 -0.018 0.000 1.048 108 K CA 1.491 57.764 56.287 -0.023 0.000 0.929 108 K CB -0.361 32.124 32.500 -0.025 0.000 0.713 108 K HN 0.332 nan 8.250 nan 0.000 0.439 109 G N 0.594 109.379 108.800 -0.025 0.000 2.470 109 G HA2 -0.199 3.751 3.960 -0.016 0.000 0.220 109 G HA3 -0.199 3.751 3.960 -0.016 0.000 0.220 109 G C 1.172 176.063 174.900 -0.016 0.000 1.121 109 G CA 0.505 45.593 45.100 -0.021 0.000 0.766 109 G HN 0.339 nan 8.290 nan 0.000 0.553 110 N N 0.345 119.035 118.700 -0.017 0.000 2.280 110 N HA 0.076 4.806 4.740 -0.016 0.000 0.192 110 N C 1.643 177.152 175.510 -0.001 0.000 1.109 110 N CA 0.778 53.822 53.050 -0.011 0.000 0.855 110 N CB 0.513 38.991 38.487 -0.015 0.000 0.974 110 N HN 0.363 nan 8.380 nan 0.000 0.482 111 G N 0.616 109.418 108.800 0.002 0.000 2.143 111 G HA2 -0.254 3.696 3.960 -0.016 0.000 0.249 111 G HA3 -0.254 3.696 3.960 -0.016 0.000 0.249 111 G C 0.058 174.972 174.900 0.024 0.000 0.981 111 G CA 0.035 45.143 45.100 0.015 0.000 0.665 111 G HN 0.159 nan 8.290 nan 0.000 0.528 112 V N 0.786 120.706 119.914 0.010 0.000 2.530 112 V HA 0.394 4.504 4.120 -0.016 0.000 0.282 112 V C 0.807 176.901 176.094 0.000 0.000 1.048 112 V CA -0.192 62.111 62.300 0.005 0.000 0.997 112 V CB 1.695 33.511 31.823 -0.012 0.000 0.987 112 V HN 0.437 nan 8.190 nan 0.000 0.477 113 E N 3.467 123.669 120.200 0.004 0.000 2.229 113 E HA 0.381 4.721 4.350 -0.016 0.000 0.283 113 E C -1.072 175.488 176.600 -0.066 0.000 1.030 113 E CA -0.717 55.684 56.400 0.001 0.000 0.836 113 E CB 1.260 31.005 29.700 0.074 0.000 1.068 113 E HN 0.522 nan 8.360 nan 0.000 0.401 114 L N 6.360 127.551 121.223 -0.053 0.000 2.287 114 L HA 0.393 4.723 4.340 -0.016 0.000 0.287 114 L C -1.671 175.150 176.870 -0.081 0.000 1.022 114 L CA -0.666 54.129 54.840 -0.075 0.000 0.814 114 L CB 1.285 43.312 42.059 -0.054 0.000 1.217 114 L HN 0.519 nan 8.230 nan 0.000 0.420 115 L N 5.651 126.796 121.223 -0.129 0.000 2.313 115 L HA 0.635 4.965 4.340 -0.016 0.000 0.283 115 L C -0.770 176.036 176.870 -0.107 0.000 1.013 115 L CA -0.344 54.416 54.840 -0.134 0.000 0.816 115 L CB 0.981 42.882 42.059 -0.264 0.000 1.236 115 L HN 0.513 nan 8.230 nan 0.000 0.419 116 R N 4.386 124.851 120.500 -0.059 0.000 2.221 116 R HA 0.855 5.185 4.340 -0.016 0.000 0.327 116 R C -0.002 176.288 176.300 -0.016 0.000 1.033 116 R CA -0.294 55.785 56.100 -0.035 0.000 0.887 116 R CB 0.706 30.997 30.300 -0.016 0.000 1.057 116 R HN 0.930 nan 8.270 nan 0.000 0.455 117 G N 1.463 110.260 108.800 -0.006 0.000 2.321 117 G HA2 0.143 4.094 3.960 -0.016 0.000 0.298 117 G HA3 0.143 4.094 3.960 -0.016 0.000 0.298 117 G C -1.981 172.960 174.900 0.069 0.000 1.385 117 G CA -0.973 44.153 45.100 0.043 0.000 0.856 117 G HN 0.308 nan 8.290 nan 0.000 0.584 118 F N 1.933 121.871 119.950 -0.020 0.000 2.391 118 F HA 0.689 5.206 4.527 -0.017 0.000 0.359 118 F C 0.663 176.455 175.800 -0.014 0.000 1.122 118 F CA -0.049 57.940 58.000 -0.018 0.000 1.120 118 F CB 0.987 39.981 39.000 -0.009 0.000 1.142 118 F HN 0.764 nan 8.300 nan 0.000 0.483 119 A N 7.229 129.816 122.820 -0.389 0.000 2.327 119 A HA 0.776 5.087 4.320 -0.016 0.000 0.283 119 A C -0.447 176.994 177.584 -0.238 0.000 1.127 119 A CA -0.605 51.292 52.037 -0.233 0.000 0.810 119 A CB 0.581 19.442 19.000 -0.232 0.000 1.066 119 A HN 0.876 nan 8.150 nan 0.000 0.492 120 R N 1.440 121.924 120.500 -0.027 0.000 2.574 120 R HA 0.429 4.759 4.340 -0.016 0.000 0.288 120 R C -1.626 174.693 176.300 0.032 0.000 1.004 120 R CA -0.886 55.233 56.100 0.032 0.000 0.895 120 R CB 1.519 31.904 30.300 0.141 0.000 1.191 120 R HN 0.547 nan 8.270 nan 0.000 0.444 121 L N 2.249 123.484 121.223 0.020 0.000 2.439 121 L HA 0.105 4.435 4.340 -0.016 0.000 0.269 121 L C 1.271 178.164 176.870 0.039 0.000 1.179 121 L CA 0.391 55.247 54.840 0.027 0.000 0.828 121 L CB 1.255 43.323 42.059 0.016 0.000 1.106 121 L HN 0.655 nan 8.230 nan 0.000 0.467 122 V N -1.599 118.340 119.914 0.041 0.000 3.502 122 V HA 0.766 4.876 4.120 -0.016 0.000 0.288 122 V C 0.486 176.598 176.094 0.030 0.000 1.461 122 V CA 0.494 62.817 62.300 0.038 0.000 1.029 122 V CB -0.003 31.845 31.823 0.042 0.000 0.843 122 V HN 0.791 nan 8.190 nan 0.000 0.438 123 G N -0.397 108.421 108.800 0.029 0.000 2.550 123 G HA2 0.520 4.470 3.960 -0.016 0.000 0.293 123 G HA3 0.520 4.470 3.960 -0.016 0.000 0.293 123 G C -2.836 172.076 174.900 0.021 0.000 1.402 123 G CA -0.222 44.892 45.100 0.023 0.000 0.784 123 G HN -0.092 nan 8.290 nan 0.000 0.482 124 P HA -0.013 nan 4.420 nan 0.000 0.216 124 P C 0.809 178.120 177.300 0.019 0.000 1.150 124 P CA 1.357 64.463 63.100 0.011 0.000 0.843 124 P CB 0.271 31.975 31.700 0.006 0.000 0.787 125 K N -0.946 119.472 120.400 0.030 0.000 2.706 125 K HA 0.260 4.570 4.320 -0.016 0.000 0.203 125 K C -0.228 176.408 176.600 0.060 0.000 1.102 125 K CA 0.016 56.329 56.287 0.044 0.000 1.058 125 K CB 1.053 33.580 32.500 0.045 0.000 0.779 125 K HN 0.238 nan 8.250 nan 0.000 0.483 126 E N 0.841 121.074 120.200 0.056 0.000 2.275 126 E HA 0.381 4.721 4.350 -0.016 0.000 0.270 126 E C -1.301 175.344 176.600 0.076 0.000 0.882 126 E CA -0.641 55.802 56.400 0.072 0.000 0.758 126 E CB 1.912 31.646 29.700 0.056 0.000 1.195 126 E HN -0.202 nan 8.360 nan 0.000 0.419 127 V N 3.325 123.306 119.914 0.112 0.000 2.628 127 V HA 0.399 4.509 4.120 -0.016 0.000 0.306 127 V C -0.429 175.768 176.094 0.172 0.000 1.045 127 V CA -0.777 61.587 62.300 0.107 0.000 0.905 127 V CB 1.803 33.669 31.823 0.071 0.000 0.997 127 V HN 0.730 nan 8.190 nan 0.000 0.436 128 E N 2.414 122.694 120.200 0.134 0.000 2.158 128 E HA 0.735 5.075 4.350 -0.016 0.000 0.271 128 E C -1.503 175.195 176.600 0.164 0.000 0.911 128 E CA -0.302 56.194 56.400 0.161 0.000 0.767 128 E CB 1.936 31.701 29.700 0.108 0.000 1.120 128 E HN 0.503 nan 8.360 nan 0.000 0.405 135 G N -0.285 108.575 108.800 0.099 0.000 2.199 135 G HA2 -0.245 3.705 3.960 -0.016 0.000 0.254 135 G HA3 -0.245 3.705 3.960 -0.016 0.000 0.254 135 G C 0.115 175.051 174.900 0.059 0.000 0.982 135 G CA 0.585 45.727 45.100 0.070 0.000 0.632 135 G HN 0.549 nan 8.290 nan 0.000 0.529 136 E N 0.388 120.644 120.200 0.093 0.000 2.248 136 E HA 0.613 4.953 4.350 -0.016 0.000 0.272 136 E C 0.306 176.887 176.600 -0.032 0.000 1.008 136 E CA -0.661 55.740 56.400 0.001 0.000 0.856 136 E CB 0.934 30.630 29.700 -0.006 0.000 1.120 136 E HN 0.238 nan 8.360 nan 0.000 0.397 137 R N 1.647 122.012 120.500 -0.225 0.000 2.532 137 R HA 0.472 4.803 4.340 -0.016 0.000 0.295 137 R C -0.725 175.326 176.300 -0.415 0.000 0.968 137 R CA -0.671 55.337 56.100 -0.154 0.000 0.916 137 R CB 0.569 30.825 30.300 -0.073 0.000 1.124 137 R HN 0.470 nan 8.270 nan 0.000 0.463 138 Y N -0.983 119.360 120.300 0.072 0.000 2.457 138 Y HA 0.620 5.161 4.550 -0.016 0.000 0.343 138 Y C 0.678 176.644 175.900 0.109 0.000 0.994 138 Y CA -0.898 57.275 58.100 0.122 0.000 1.031 138 Y CB 2.697 41.225 38.460 0.112 0.000 1.246 138 Y HN 0.735 nan 8.280 nan 0.000 0.449 139 G N 0.465 109.429 108.800 0.274 0.000 2.574 139 G HA2 0.866 4.816 3.960 -0.016 0.000 0.299 139 G HA3 0.866 4.816 3.960 -0.016 0.000 0.299 139 G C -1.713 173.318 174.900 0.218 0.000 1.298 139 G CA -0.812 44.401 45.100 0.188 0.000 0.952 139 G HN 0.892 nan 8.290 nan 0.000 0.477 140 A N 0.511 123.423 122.820 0.154 0.000 2.605 140 A HA 0.647 4.957 4.320 -0.016 0.000 0.294 140 A C 0.591 178.237 177.584 0.103 0.000 1.062 140 A CA -0.040 52.087 52.037 0.149 0.000 0.682 140 A CB 1.340 20.439 19.000 0.163 0.000 1.278 140 A HN 1.028 nan 8.150 nan 0.000 0.410 141 K N -0.033 120.424 120.400 0.094 0.000 2.366 141 K HA 0.189 4.499 4.320 -0.016 0.000 0.198 141 K C 0.109 176.764 176.600 0.092 0.000 1.044 141 K CA 1.500 57.834 56.287 0.078 0.000 0.973 141 K CB 0.077 32.618 32.500 0.069 0.000 0.767 141 K HN 0.336 nan 8.250 nan 0.000 0.475 142 S N 0.586 116.354 115.700 0.113 0.000 2.536 142 S HA 0.554 5.014 4.470 -0.016 0.000 0.287 142 S C -1.109 173.572 174.600 0.135 0.000 1.101 142 S CA -0.925 57.367 58.200 0.155 0.000 0.950 142 S CB 1.715 65.032 63.200 0.195 0.000 1.056 142 S HN 0.191 nan 8.310 nan 0.000 0.481 143 L N 2.893 124.210 121.223 0.156 0.000 2.408 143 L HA 0.643 4.974 4.340 -0.016 0.000 0.268 143 L C -1.204 175.766 176.870 0.167 0.000 0.986 143 L CA -0.636 54.270 54.840 0.110 0.000 0.820 143 L CB 1.751 43.847 42.059 0.063 0.000 1.303 143 L HN 0.528 nan 8.230 nan 0.000 0.411 144 I N 3.987 124.618 120.570 0.101 0.000 2.410 144 I HA 0.340 4.500 4.170 -0.016 0.000 0.286 144 I C -0.627 175.515 176.117 0.042 0.000 1.009 144 I CA -0.439 60.924 61.300 0.105 0.000 1.111 144 I CB 1.893 39.920 38.000 0.045 0.000 1.262 144 I HN 0.360 nan 8.210 nan 0.000 0.443 145 L N 6.572 127.824 121.223 0.048 0.000 2.261 145 L HA 0.576 4.906 4.340 -0.016 0.000 0.289 145 L C 0.532 177.405 176.870 0.005 0.000 1.059 145 L CA -0.216 54.629 54.840 0.008 0.000 0.816 145 L CB 1.106 43.171 42.059 0.010 0.000 1.191 145 L HN 0.711 nan 8.230 nan 0.000 0.431 146 A N 1.192 124.002 122.820 -0.018 0.000 3.129 146 A HA 0.275 4.585 4.320 -0.016 0.000 0.282 146 A C 0.979 178.547 177.584 -0.027 0.000 0.948 146 A CA -0.249 51.777 52.037 -0.017 0.000 1.027 146 A CB -0.113 18.875 19.000 -0.019 0.000 1.123 146 A HN 0.737 nan 8.150 nan 0.000 0.485 147 T N -2.889 111.647 114.554 -0.030 0.000 3.148 147 T HA 0.415 4.755 4.350 -0.016 0.000 0.253 147 T C 1.349 176.042 174.700 -0.012 0.000 1.134 147 T CA 1.020 63.096 62.100 -0.039 0.000 1.051 147 T CB -0.347 68.486 68.868 -0.057 0.000 0.959 147 T HN 2.021 nan 8.240 nan 0.000 0.525 148 G N 1.586 110.386 108.800 0.000 0.000 2.569 148 G HA2 -0.079 3.872 3.960 -0.016 0.000 0.259 148 G HA3 -0.079 3.872 3.960 -0.016 0.000 0.259 148 G C -0.040 174.870 174.900 0.016 0.000 1.263 148 G CA 0.160 45.267 45.100 0.011 0.000 0.928 148 G HN 1.591 nan 8.290 nan 0.000 0.572 149 S N -0.900 114.809 115.700 0.016 0.000 2.806 149 S HA 0.847 5.307 4.470 -0.016 0.000 0.306 149 S C -0.628 173.974 174.600 0.004 0.000 1.167 149 S CA 0.385 58.590 58.200 0.008 0.000 0.847 149 S CB 2.429 65.646 63.200 0.028 0.000 1.216 149 S HN 1.795 nan 8.310 nan 0.000 0.532 150 E N -0.801 119.399 120.200 -0.000 0.000 2.429 150 E HA 0.608 4.948 4.350 -0.016 0.000 0.276 150 E C -3.360 173.243 176.600 0.006 0.000 0.953 150 E CA -2.623 53.772 56.400 -0.008 0.000 0.787 150 E CB 1.141 30.837 29.700 -0.007 0.000 1.307 150 E HN 0.287 nan 8.360 nan 0.000 0.458 151 P HA -0.009 nan 4.420 nan 0.000 0.264 151 P C -0.753 176.646 177.300 0.164 0.000 1.193 151 P CA -0.255 62.867 63.100 0.038 0.000 0.763 151 P CB 0.255 31.878 31.700 -0.128 0.000 0.810 152 L N 3.468 124.800 121.223 0.182 0.000 2.319 152 L HA 0.219 4.549 4.340 -0.016 0.000 0.280 152 L C 0.475 177.489 176.870 0.240 0.000 1.099 152 L CA -0.132 54.806 54.840 0.165 0.000 0.828 152 L CB -0.008 42.103 42.059 0.088 0.000 1.150 152 L HN 0.331 nan 8.230 nan 0.000 0.442 153 E N 3.524 123.837 120.200 0.189 0.000 2.343 153 E HA 0.361 4.702 4.350 -0.016 0.000 0.269 153 E C -1.361 175.200 176.600 -0.065 0.000 1.047 153 E CA -0.683 55.706 56.400 -0.017 0.000 0.874 153 E CB 1.138 30.835 29.700 -0.005 0.000 1.033 153 E HN 0.610 nan 8.360 nan 0.000 0.409 154 L N 3.794 124.930 121.223 -0.144 0.000 2.322 154 L HA 0.348 4.678 4.340 -0.016 0.000 0.281 154 L C -0.556 176.345 176.870 0.050 0.000 1.014 154 L CA -0.441 54.386 54.840 -0.021 0.000 0.815 154 L CB 1.340 43.390 42.059 -0.015 0.000 1.247 154 L HN 0.515 nan 8.230 nan 0.000 0.421 155 K N 3.878 124.315 120.400 0.061 0.000 2.484 155 K HA 0.330 4.640 4.320 -0.016 0.000 0.280 155 K C 0.994 177.646 176.600 0.086 0.000 1.013 155 K CA 1.224 57.541 56.287 0.049 0.000 1.029 155 K CB 0.072 32.593 32.500 0.035 0.000 0.902 155 K HN 0.977 nan 8.250 nan 0.000 0.481 156 G N 3.669 112.448 108.800 -0.035 0.000 2.225 156 G HA2 -0.259 3.691 3.960 -0.016 0.000 0.254 156 G HA3 -0.259 3.691 3.960 -0.016 0.000 0.254 156 G C 0.038 174.664 174.900 -0.457 0.000 0.988 156 G CA 0.178 45.136 45.100 -0.237 0.000 0.625 156 G HN 0.586 nan 8.290 nan 0.000 0.527 157 F N 2.672 122.628 119.950 0.011 0.000 2.564 157 F HA 0.369 4.886 4.527 -0.015 0.000 0.329 157 F C -1.911 173.789 175.800 -0.167 0.000 1.458 157 F CA -1.834 56.162 58.000 -0.007 0.000 1.117 157 F CB 1.530 40.466 39.000 -0.107 0.000 1.383 157 F HN -0.079 nan 8.300 nan 0.000 0.571 158 P HA -0.035 nan 4.420 nan 0.000 0.268 158 P C -0.181 177.103 177.300 -0.027 0.000 1.204 158 P CA 0.080 63.142 63.100 -0.063 0.000 0.768 158 P CB 0.688 32.398 31.700 0.017 0.000 0.842 159 F N 1.969 121.992 119.950 0.120 0.000 2.602 159 F HA 0.418 4.935 4.527 -0.017 0.000 0.367 159 F C 1.712 177.584 175.800 0.120 0.000 1.126 159 F CA 1.676 59.748 58.000 0.120 0.000 1.321 159 F CB -0.098 38.961 39.000 0.098 0.000 1.094 159 F HN 0.569 nan 8.300 nan 0.000 0.594 160 G N 1.885 110.896 108.800 0.353 0.000 2.494 160 G HA2 0.159 4.109 3.960 -0.016 0.000 0.308 160 G HA3 0.159 4.109 3.960 -0.016 0.000 0.308 160 G C 0.029 175.097 174.900 0.281 0.000 1.263 160 G CA -0.596 44.655 45.100 0.252 0.000 0.840 160 G HN 0.282 nan 8.290 nan 0.000 0.479 161 E N 0.071 120.406 120.200 0.225 0.000 2.160 161 E HA -0.083 4.258 4.350 -0.016 0.000 0.195 161 E C 1.082 177.850 176.600 0.279 0.000 0.991 161 E CA 1.369 57.925 56.400 0.261 0.000 0.810 161 E CB 0.132 29.939 29.700 0.179 0.000 0.742 161 E HN 0.456 nan 8.360 nan 0.000 0.466 162 D N -0.514 119.961 120.400 0.125 0.000 2.407 162 D HA 0.047 4.678 4.640 -0.016 0.000 0.208 162 D C -0.066 176.080 176.300 -0.257 0.000 1.083 162 D CA 0.142 54.086 54.000 -0.093 0.000 0.844 162 D CB 1.266 42.026 40.800 -0.066 0.000 0.967 162 D HN -0.098 nan 8.370 nan 0.000 0.506 163 V N 2.500 122.399 119.914 -0.025 0.000 2.325 163 V HA 0.208 4.318 4.120 -0.016 0.000 0.280 163 V C -0.563 175.751 176.094 0.367 0.000 1.016 163 V CA -0.937 61.373 62.300 0.016 0.000 0.818 163 V CB 1.213 33.065 31.823 0.048 0.000 1.019 163 V HN -0.004 nan 8.190 nan 0.000 0.434 164 W N 2.786 124.166 121.300 0.134 0.000 2.359 164 W HA 0.567 5.217 4.660 -0.018 0.000 0.344 164 W C 0.275 176.917 176.519 0.204 0.000 1.170 164 W CA -1.140 56.287 57.345 0.138 0.000 1.296 164 W CB 0.860 30.331 29.460 0.019 0.000 1.197 164 W HN 0.675 nan 8.180 nan 0.000 0.618 165 D N -1.410 119.121 120.400 0.218 0.000 2.494 165 D HA 0.206 4.836 4.640 -0.016 0.000 0.259 165 D C 1.097 177.415 176.300 0.030 0.000 1.109 165 D CA -0.477 53.516 54.000 -0.012 0.000 1.040 165 D CB 0.211 40.647 40.800 -0.607 0.000 1.175 165 D HN 0.193 nan 8.370 nan 0.000 0.584 166 S N -0.873 114.829 115.700 0.004 0.000 2.400 166 S HA -0.200 4.260 4.470 -0.016 0.000 0.232 166 S C 1.711 176.296 174.600 -0.025 0.000 1.025 166 S CA 1.557 59.768 58.200 0.019 0.000 0.993 166 S CB -1.121 62.090 63.200 0.019 0.000 0.808 166 S HN 0.591 nan 8.310 nan 0.000 0.478 167 T N 2.080 116.586 114.554 -0.081 0.000 2.708 167 T HA -0.040 4.300 4.350 -0.016 0.000 0.266 167 T C 1.941 176.553 174.700 -0.147 0.000 1.037 167 T CA 1.684 63.721 62.100 -0.105 0.000 1.146 167 T CB -0.327 68.466 68.868 -0.124 0.000 0.865 167 T HN 0.437 nan 8.240 nan 0.000 0.435 168 R N 1.868 122.245 120.500 -0.205 0.000 2.092 168 R HA 0.169 4.499 4.340 -0.016 0.000 0.231 168 R C 2.285 178.304 176.300 -0.469 0.000 1.119 168 R CA 1.570 57.430 56.100 -0.400 0.000 0.970 168 R CB -0.984 28.973 30.300 -0.572 0.000 0.864 168 R HN 0.318 nan 8.270 nan 0.000 0.440 169 A N 0.511 123.216 122.820 -0.191 0.000 2.070 169 A HA -0.064 4.247 4.320 -0.016 0.000 0.220 169 A C 2.122 179.785 177.584 0.131 0.000 1.159 169 A CA 1.278 53.342 52.037 0.044 0.000 0.656 169 A CB -0.565 18.551 19.000 0.194 0.000 0.800 169 A HN 0.377 nan 8.150 nan 0.000 0.453 170 L N -0.787 120.441 121.223 0.008 0.000 2.201 170 L HA -0.102 4.228 4.340 -0.016 0.000 0.212 170 L C 0.782 177.634 176.870 -0.029 0.000 1.105 170 L CA 0.876 55.721 54.840 0.008 0.000 0.775 170 L CB -0.333 41.705 42.059 -0.035 0.000 0.913 170 L HN 0.260 nan 8.230 nan 0.000 0.440 171 K N 1.176 121.519 120.400 -0.095 0.000 2.243 171 K HA 0.038 4.348 4.320 -0.016 0.000 0.232 171 K C 1.335 177.895 176.600 -0.067 0.000 1.237 171 K CA -0.212 56.012 56.287 -0.104 0.000 1.161 171 K CB 0.278 32.678 32.500 -0.167 0.000 1.505 171 K HN 0.155 nan 8.250 nan 0.000 0.271 172 V N -0.956 118.937 119.914 -0.036 0.000 2.913 172 V HA -0.142 3.968 4.120 -0.016 0.000 0.260 172 V C 1.164 177.250 176.094 -0.014 0.000 1.098 172 V CA 0.902 63.176 62.300 -0.043 0.000 1.121 172 V CB -0.534 31.204 31.823 -0.142 0.000 0.714 172 V HN 0.539 nan 8.190 nan 0.000 0.487 173 E N 2.583 122.775 120.200 -0.014 0.000 2.467 173 E HA 0.227 4.567 4.350 -0.016 0.000 0.321 173 E C 0.485 177.089 176.600 0.007 0.000 1.388 173 E CA 0.285 56.685 56.400 0.000 0.000 1.508 173 E CB -0.251 29.450 29.700 0.001 0.000 1.250 173 E HN 0.542 nan 8.360 nan 0.000 0.500 174 G N 2.069 110.918 108.800 0.080 0.000 2.333 174 G HA2 0.359 4.310 3.960 -0.016 0.000 0.290 174 G HA3 0.359 4.310 3.960 -0.016 0.000 0.290 174 G C -0.744 174.275 174.900 0.199 0.000 1.150 174 G CA -0.658 44.516 45.100 0.122 0.000 0.895 174 G HN 0.418 nan 8.290 nan 0.000 0.444 175 L N 5.378 126.704 121.223 0.171 0.000 2.292 175 L HA 0.493 4.823 4.340 -0.016 0.000 0.284 175 L C -1.509 175.499 176.870 0.229 0.000 1.065 175 L CA -1.818 53.163 54.840 0.235 0.000 0.806 175 L CB 1.156 43.290 42.059 0.126 0.000 1.175 175 L HN 0.368 nan 8.230 nan 0.000 0.431 176 P HA 0.176 nan 4.420 nan 0.000 0.278 176 P C -0.367 176.993 177.300 0.101 0.000 1.238 176 P CA -0.416 62.765 63.100 0.135 0.000 0.794 176 P CB 1.118 32.830 31.700 0.020 0.000 0.955 177 K N 1.210 121.641 120.400 0.051 0.000 2.148 177 K HA -0.034 4.276 4.320 -0.016 0.000 0.204 177 K C 0.632 177.244 176.600 0.020 0.000 1.050 177 K CA 1.083 57.393 56.287 0.039 0.000 0.942 177 K CB 0.072 32.586 32.500 0.022 0.000 0.724 177 K HN 0.453 nan 8.250 nan 0.000 0.446 178 R N 0.505 120.996 120.500 -0.015 0.000 2.532 178 R HA 0.367 4.698 4.340 -0.016 0.000 0.297 178 R C -1.566 174.673 176.300 -0.101 0.000 0.984 178 R CA -0.674 55.399 56.100 -0.045 0.000 0.884 178 R CB 1.827 32.092 30.300 -0.059 0.000 1.182 178 R HN -0.101 nan 8.270 nan 0.000 0.442 179 L N 3.454 124.614 121.223 -0.105 0.000 2.386 179 L HA 0.557 4.887 4.340 -0.016 0.000 0.271 179 L C -1.765 175.005 176.870 -0.167 0.000 0.993 179 L CA -0.943 53.782 54.840 -0.192 0.000 0.819 179 L CB 1.909 43.832 42.059 -0.227 0.000 1.294 179 L HN 0.583 nan 8.230 nan 0.000 0.414 180 L N 5.891 126.990 121.223 -0.207 0.000 2.313 180 L HA 0.707 5.037 4.340 -0.016 0.000 0.283 180 L C -1.271 175.482 176.870 -0.194 0.000 1.013 180 L CA -0.242 54.492 54.840 -0.176 0.000 0.816 180 L CB 1.727 43.678 42.059 -0.181 0.000 1.236 180 L HN 0.416 nan 8.230 nan 0.000 0.419 181 V N 6.879 126.705 119.914 -0.148 0.000 2.370 181 V HA 0.438 4.548 4.120 -0.016 0.000 0.283 181 V C 0.131 176.147 176.094 -0.131 0.000 1.023 181 V CA -0.385 61.838 62.300 -0.129 0.000 0.857 181 V CB 1.439 33.215 31.823 -0.079 0.000 0.985 181 V HN 0.607 nan 8.190 nan 0.000 0.443 182 I N 4.682 125.158 120.570 -0.156 0.000 2.306 182 I HA 0.738 4.898 4.170 -0.016 0.000 0.288 182 I C 0.626 176.688 176.117 -0.091 0.000 1.036 182 I CA -0.065 61.138 61.300 -0.162 0.000 1.221 182 I CB 1.268 39.097 38.000 -0.286 0.000 1.385 182 I HN 0.850 nan 8.210 nan 0.000 0.472 183 G N 3.415 112.181 108.800 -0.057 0.000 3.088 183 G HA2 0.089 4.039 3.960 -0.016 0.000 0.620 183 G HA3 0.089 4.039 3.960 -0.016 0.000 0.620 183 G C -0.065 174.820 174.900 -0.025 0.000 1.375 183 G CA -0.552 44.530 45.100 -0.029 0.000 1.016 183 G HN 0.856 nan 8.290 nan 0.000 0.590 184 G N 0.406 109.192 108.800 -0.023 0.000 3.591 184 G HA2 0.624 4.574 3.960 -0.016 0.000 0.282 184 G HA3 0.624 4.574 3.960 -0.016 0.000 0.282 184 G C 0.850 175.719 174.900 -0.053 0.000 1.238 184 G CA 0.894 45.972 45.100 -0.037 0.000 0.993 184 G HN 1.176 nan 8.290 nan 0.000 0.542 185 G N -1.081 107.699 108.800 -0.033 0.000 2.532 185 G HA2 0.486 4.436 3.960 -0.016 0.000 0.291 185 G HA3 0.486 4.436 3.960 -0.016 0.000 0.291 185 G C 1.296 176.186 174.900 -0.015 0.000 1.349 185 G CA 0.238 45.316 45.100 -0.036 0.000 1.038 185 G HN 0.293 nan 8.290 nan 0.000 0.518 186 A N -1.194 121.631 122.820 0.009 0.000 1.908 186 A HA -0.047 4.263 4.320 -0.016 0.000 0.218 186 A C 2.541 180.169 177.584 0.074 0.000 1.181 186 A CA 2.241 54.314 52.037 0.060 0.000 0.627 186 A CB -0.807 18.262 19.000 0.115 0.000 0.818 186 A HN 0.539 nan 8.150 nan 0.000 0.445 187 V N -0.164 119.787 119.914 0.062 0.000 2.295 187 V HA -0.198 3.912 4.120 -0.016 0.000 0.246 187 V C 2.836 178.964 176.094 0.058 0.000 1.049 187 V CA 2.102 64.439 62.300 0.063 0.000 1.024 187 V CB -1.535 30.320 31.823 0.053 0.000 0.648 187 V HN 0.621 nan 8.190 nan 0.000 0.447 188 G N -0.374 108.448 108.800 0.037 0.000 2.418 188 G HA2 -0.190 3.760 3.960 -0.016 0.000 0.217 188 G HA3 -0.190 3.760 3.960 -0.016 0.000 0.217 188 G C 1.598 176.517 174.900 0.032 0.000 1.158 188 G CA 0.946 46.060 45.100 0.024 0.000 0.771 188 G HN 0.459 nan 8.290 nan 0.000 0.545 189 L N 0.001 121.242 121.223 0.030 0.000 2.017 189 L HA -0.041 4.289 4.340 -0.016 0.000 0.208 189 L C 2.907 179.818 176.870 0.069 0.000 1.073 189 L CA 1.312 56.173 54.840 0.035 0.000 0.745 189 L CB -0.452 41.618 42.059 0.019 0.000 0.894 189 L HN 0.271 nan 8.230 nan 0.000 0.432 190 E N 0.238 120.492 120.200 0.091 0.000 2.031 190 E HA -0.215 4.125 4.350 -0.016 0.000 0.193 190 E C 2.337 179.013 176.600 0.127 0.000 0.994 190 E CA 1.181 57.651 56.400 0.116 0.000 0.800 190 E CB -0.189 29.590 29.700 0.131 0.000 0.752 190 E HN 0.407 nan 8.360 nan 0.000 0.447 191 L N 0.409 121.712 121.223 0.134 0.000 2.141 191 L HA -0.095 4.235 4.340 -0.016 0.000 0.209 191 L C 2.531 179.547 176.870 0.245 0.000 1.094 191 L CA 0.990 55.953 54.840 0.205 0.000 0.763 191 L CB -0.591 41.575 42.059 0.178 0.000 0.908 191 L HN 0.250 nan 8.230 nan 0.000 0.437 192 G N -0.786 108.096 108.800 0.137 0.000 2.421 192 G HA2 -0.325 3.625 3.960 -0.016 0.000 0.216 192 G HA3 -0.325 3.625 3.960 -0.016 0.000 0.216 192 G C 1.503 176.485 174.900 0.137 0.000 1.171 192 G CA 0.676 45.843 45.100 0.113 0.000 0.775 192 G HN 0.378 nan 8.290 nan 0.000 0.543 193 Q N -0.177 119.686 119.800 0.106 0.000 2.119 193 Q HA -0.049 4.281 4.340 -0.016 0.000 0.201 193 Q C 2.659 178.711 176.000 0.087 0.000 0.972 193 Q CA 1.179 57.027 55.803 0.075 0.000 0.847 193 Q CB -0.101 28.666 28.738 0.048 0.000 0.903 193 Q HN 0.316 nan 8.270 nan 0.000 0.433 194 V N 0.175 120.161 119.914 0.121 0.000 2.295 194 V HA -0.282 3.829 4.120 -0.016 0.000 0.246 194 V C 1.773 177.882 176.094 0.025 0.000 1.049 194 V CA 1.959 64.302 62.300 0.072 0.000 1.024 194 V CB -0.728 31.143 31.823 0.081 0.000 0.648 194 V HN 0.453 nan 8.190 nan 0.000 0.447 195 Y N 0.021 120.357 120.300 0.060 0.000 2.224 195 Y HA -0.235 4.305 4.550 -0.017 0.000 0.289 195 Y C 2.712 178.640 175.900 0.047 0.000 1.146 195 Y CA 2.062 60.201 58.100 0.064 0.000 1.182 195 Y CB -0.235 38.269 38.460 0.074 0.000 0.983 195 Y HN 0.116 nan 8.280 nan 0.000 0.524 196 R N 0.930 121.528 120.500 0.163 0.000 2.073 196 R HA -0.102 4.229 4.340 -0.016 0.000 0.234 196 R C 2.025 178.363 176.300 0.064 0.000 1.134 196 R CA 1.633 57.791 56.100 0.096 0.000 0.952 196 R CB -0.325 30.016 30.300 0.068 0.000 0.850 196 R HN 0.179 nan 8.270 nan 0.000 0.433 197 R N -0.085 120.444 120.500 0.047 0.000 2.241 197 R HA -0.008 4.322 4.340 -0.016 0.000 0.224 197 R C 1.525 177.844 176.300 0.030 0.000 1.101 197 R CA 0.915 57.042 56.100 0.046 0.000 0.995 197 R CB -0.162 30.159 30.300 0.035 0.000 0.870 197 R HN 0.282 nan 8.270 nan 0.000 0.463 198 L N -0.714 120.510 121.223 0.001 0.000 2.592 198 L HA 0.190 4.520 4.340 -0.016 0.000 0.227 198 L C 1.094 177.967 176.870 0.006 0.000 1.127 198 L CA 0.356 55.181 54.840 -0.025 0.000 0.884 198 L CB 0.464 42.454 42.059 -0.114 0.000 1.065 198 L HN 0.455 nan 8.230 nan 0.000 0.457 199 G N -0.252 108.568 108.800 0.033 0.000 2.201 199 G HA2 -0.219 3.731 3.960 -0.016 0.000 0.212 199 G HA3 -0.219 3.731 3.960 -0.016 0.000 0.212 199 G C 0.390 175.326 174.900 0.060 0.000 0.994 199 G CA -0.097 45.028 45.100 0.042 0.000 0.644 199 G HN 0.427 nan 8.290 nan 0.000 0.508 200 A N 0.251 123.127 122.820 0.092 0.000 2.351 200 A HA 0.640 4.950 4.320 -0.016 0.000 0.257 200 A C 0.466 178.099 177.584 0.082 0.000 1.087 200 A CA 0.547 52.652 52.037 0.113 0.000 0.798 200 A CB 0.502 19.634 19.000 0.219 0.000 1.033 200 A HN 0.664 nan 8.150 nan 0.000 0.488 201 E N 1.080 121.311 120.200 0.052 0.000 2.259 201 E HA 0.456 4.796 4.350 -0.016 0.000 0.281 201 E C -1.342 175.270 176.600 0.019 0.000 1.037 201 E CA -0.275 56.141 56.400 0.026 0.000 0.854 201 E CB 0.669 30.373 29.700 0.005 0.000 1.051 201 E HN 0.336 nan 8.360 nan 0.000 0.409 202 V N 4.086 124.011 119.914 0.017 0.000 2.588 202 V HA 0.344 4.454 4.120 -0.016 0.000 0.304 202 V C -0.372 175.712 176.094 -0.016 0.000 1.042 202 V CA -0.747 61.554 62.300 0.002 0.000 0.877 202 V CB 2.136 33.979 31.823 0.034 0.000 0.996 202 V HN 0.742 nan 8.190 nan 0.000 0.425 203 T N 5.947 120.477 114.554 -0.040 0.000 2.812 203 T HA 0.651 4.991 4.350 -0.016 0.000 0.282 203 T C -0.798 173.868 174.700 -0.055 0.000 0.990 203 T CA -0.281 61.793 62.100 -0.044 0.000 0.960 203 T CB 1.457 70.294 68.868 -0.053 0.000 0.948 203 T HN 0.535 nan 8.240 nan 0.000 0.438 204 L N 5.442 126.638 121.223 -0.045 0.000 2.362 204 L HA 0.757 5.087 4.340 -0.016 0.000 0.275 204 L C -1.001 175.841 176.870 -0.048 0.000 0.998 204 L CA -1.082 53.728 54.840 -0.049 0.000 0.820 204 L CB 0.947 42.986 42.059 -0.033 0.000 1.270 204 L HN 0.727 nan 8.230 nan 0.000 0.415 205 I N 1.076 121.611 120.570 -0.058 0.000 2.474 205 I HA 0.739 4.899 4.170 -0.016 0.000 0.294 205 I C -1.066 175.033 176.117 -0.031 0.000 1.005 205 I CA -0.512 60.760 61.300 -0.047 0.000 1.113 205 I CB 1.976 39.943 38.000 -0.055 0.000 1.289 205 I HN 0.565 nan 8.210 nan 0.000 0.436 206 E N 3.983 124.175 120.200 -0.014 0.000 2.246 206 E HA 0.227 4.567 4.350 -0.016 0.000 0.266 206 E C -0.601 176.029 176.600 0.050 0.000 0.880 206 E CA -0.710 55.700 56.400 0.016 0.000 0.762 206 E CB 1.353 31.051 29.700 -0.004 0.000 1.180 206 E HN 0.618 nan 8.360 nan 0.000 0.416 207 Y N 4.762 125.040 120.300 -0.036 0.000 2.224 207 Y HA 0.015 4.555 4.550 -0.017 0.000 0.289 207 Y C 0.539 176.426 175.900 -0.023 0.000 1.146 207 Y CA 1.295 59.380 58.100 -0.025 0.000 1.182 207 Y CB 0.308 38.757 38.460 -0.019 0.000 0.983 207 Y HN 0.461 nan 8.280 nan 0.000 0.524 208 M N 0.335 120.054 119.600 0.198 0.000 2.163 208 M HA 0.134 4.604 4.480 -0.016 0.000 0.305 208 M C -1.266 175.039 176.300 0.008 0.000 1.166 208 M CA -2.377 52.991 55.300 0.112 0.000 1.132 208 M CB -0.374 32.281 32.600 0.092 0.000 1.413 208 M HN -0.129 nan 8.290 nan 0.000 0.478 209 P HA -0.086 nan 4.420 nan 0.000 0.220 209 P C -0.231 177.052 177.300 -0.027 0.000 1.148 209 P CA 1.372 64.456 63.100 -0.026 0.000 0.803 209 P CB 0.343 32.032 31.700 -0.019 0.000 0.782 210 E N -1.183 119.001 120.200 -0.027 0.000 2.383 210 E HA 0.352 4.693 4.350 -0.016 0.000 0.275 210 E C -0.424 176.142 176.600 -0.057 0.000 0.918 210 E CA -1.145 55.230 56.400 -0.042 0.000 0.764 210 E CB 0.911 30.583 29.700 -0.046 0.000 1.252 210 E HN -0.091 nan 8.360 nan 0.000 0.449 211 I N 0.187 120.711 120.570 -0.076 0.000 3.194 211 I HA 0.228 4.389 4.170 -0.016 0.000 0.283 211 I C 0.331 176.346 176.117 -0.170 0.000 1.199 211 I CA -0.655 60.582 61.300 -0.104 0.000 1.328 211 I CB 0.151 38.086 38.000 -0.109 0.000 1.404 211 I HN 0.673 nan 8.210 nan 0.000 0.618 212 L N 1.506 122.606 121.223 -0.205 0.000 3.795 212 L HA -0.168 4.162 4.340 -0.016 0.000 0.489 212 L C -1.251 175.494 176.870 -0.208 0.000 1.259 212 L CA -0.370 54.292 54.840 -0.297 0.000 0.765 212 L CB -1.670 40.011 42.059 -0.630 0.000 1.519 212 L HN 0.709 nan 8.230 nan 0.000 0.842 213 P HA -0.235 nan 4.420 nan 0.000 0.217 213 P C 1.126 178.399 177.300 -0.045 0.000 1.148 213 P CA 1.597 64.661 63.100 -0.060 0.000 0.834 213 P CB 0.203 31.890 31.700 -0.021 0.000 0.783 214 Q N -0.604 119.172 119.800 -0.040 0.000 2.425 214 Q HA 0.176 4.506 4.340 -0.016 0.000 0.204 214 Q C 1.293 177.316 176.000 0.038 0.000 0.933 214 Q CA 0.082 55.889 55.803 0.007 0.000 0.939 214 Q CB 0.164 28.921 28.738 0.032 0.000 1.044 214 Q HN 0.240 nan 8.270 nan 0.000 0.513 215 G N 0.587 109.374 108.800 -0.021 0.000 2.521 215 G HA2 0.159 4.109 3.960 -0.016 0.000 0.323 215 G HA3 0.159 4.109 3.960 -0.016 0.000 0.323 215 G C -1.175 173.695 174.900 -0.051 0.000 1.211 215 G CA -0.629 44.523 45.100 0.087 0.000 0.979 215 G HN 0.061 nan 8.290 nan 0.000 0.490 216 D N 0.223 120.493 120.400 -0.216 0.000 2.520 216 D HA 0.092 4.722 4.640 -0.016 0.000 0.243 216 D C -1.262 174.985 176.300 -0.088 0.000 1.160 216 D CA -0.810 52.942 54.000 -0.414 0.000 0.877 216 D CB 1.264 41.546 40.800 -0.863 0.000 1.150 216 D HN -0.049 nan 8.370 nan 0.000 0.494 217 P HA -0.130 nan 4.420 nan 0.000 0.218 217 P C 0.966 178.265 177.300 -0.000 0.000 1.149 217 P CA 0.841 63.916 63.100 -0.042 0.000 0.817 217 P CB 0.169 31.843 31.700 -0.042 0.000 0.785 218 E N -0.440 119.765 120.200 0.008 0.000 2.028 218 E HA -0.161 4.179 4.350 -0.016 0.000 0.191 218 E C 1.761 178.417 176.600 0.093 0.000 0.988 218 E CA 2.158 58.581 56.400 0.039 0.000 0.799 218 E CB -0.403 29.317 29.700 0.032 0.000 0.755 218 E HN 0.234 nan 8.360 nan 0.000 0.447 219 T N -1.202 113.452 114.554 0.166 0.000 2.867 219 T HA 0.024 4.364 4.350 -0.016 0.000 0.268 219 T C 1.971 176.885 174.700 0.356 0.000 1.057 219 T CA 0.975 63.244 62.100 0.282 0.000 1.136 219 T CB -0.272 68.808 68.868 0.354 0.000 0.874 219 T HN 0.227 nan 8.240 nan 0.000 0.466 220 A N 1.907 124.882 122.820 0.258 0.000 1.933 220 A HA 0.353 4.663 4.320 -0.016 0.000 0.218 220 A C 2.809 180.396 177.584 0.006 0.000 1.175 220 A CA 1.707 53.738 52.037 -0.011 0.000 0.628 220 A CB -1.347 17.551 19.000 -0.170 0.000 0.814 220 A HN 0.712 nan 8.150 nan 0.000 0.444 221 A N -0.261 122.576 122.820 0.029 0.000 1.933 221 A HA -0.025 4.285 4.320 -0.016 0.000 0.218 221 A C 2.146 179.752 177.584 0.037 0.000 1.175 221 A CA 1.416 53.463 52.037 0.018 0.000 0.628 221 A CB -0.560 18.449 19.000 0.015 0.000 0.814 221 A HN 0.471 nan 8.150 nan 0.000 0.444 222 L N -1.055 120.209 121.223 0.070 0.000 2.083 222 L HA -0.166 4.164 4.340 -0.016 0.000 0.209 222 L C 2.560 179.476 176.870 0.077 0.000 1.083 222 L CA 1.148 56.031 54.840 0.072 0.000 0.752 222 L CB -0.480 41.632 42.059 0.089 0.000 0.899 222 L HN 0.495 nan 8.230 nan 0.000 0.433 223 L N 0.260 121.544 121.223 0.102 0.000 2.056 223 L HA -0.200 4.130 4.340 -0.016 0.000 0.207 223 L C 2.721 179.615 176.870 0.039 0.000 1.078 223 L CA 1.675 56.568 54.840 0.088 0.000 0.749 223 L CB -0.640 41.483 42.059 0.106 0.000 0.901 223 L HN 0.125 nan 8.230 nan 0.000 0.433 224 R N -0.782 119.727 120.500 0.015 0.000 2.091 224 R HA -0.162 4.169 4.340 -0.016 0.000 0.238 224 R C 2.366 178.672 176.300 0.010 0.000 1.136 224 R CA 1.409 57.509 56.100 0.000 0.000 0.959 224 R CB -0.193 30.099 30.300 -0.014 0.000 0.856 224 R HN 0.319 nan 8.270 nan 0.000 0.437 225 R N 0.131 120.642 120.500 0.017 0.000 2.091 225 R HA -0.106 4.224 4.340 -0.016 0.000 0.238 225 R C 2.253 178.567 176.300 0.023 0.000 1.136 225 R CA 1.434 57.545 56.100 0.018 0.000 0.959 225 R CB -0.650 29.663 30.300 0.022 0.000 0.856 225 R HN 0.356 nan 8.270 nan 0.000 0.437 226 A N 1.336 124.174 122.820 0.030 0.000 1.902 226 A HA -0.093 4.217 4.320 -0.016 0.000 0.217 226 A C 2.359 179.954 177.584 0.019 0.000 1.181 226 A CA 1.051 53.107 52.037 0.031 0.000 0.623 226 A CB -0.499 18.525 19.000 0.041 0.000 0.818 226 A HN 0.174 nan 8.150 nan 0.000 0.443 227 L N -0.792 120.440 121.223 0.015 0.000 2.093 227 L HA -0.170 4.160 4.340 -0.016 0.000 0.208 227 L C 2.513 179.388 176.870 0.009 0.000 1.085 227 L CA 1.419 56.263 54.840 0.007 0.000 0.755 227 L CB -0.621 41.442 42.059 0.008 0.000 0.904 227 L HN 0.469 nan 8.230 nan 0.000 0.435 228 E N 0.195 120.401 120.200 0.010 0.000 2.106 228 E HA -0.214 4.127 4.350 -0.016 0.000 0.192 228 E C 2.006 178.615 176.600 0.014 0.000 0.984 228 E CA 0.857 57.263 56.400 0.009 0.000 0.806 228 E CB 0.050 29.753 29.700 0.006 0.000 0.750 228 E HN 0.204 nan 8.360 nan 0.000 0.458 229 K N 1.092 121.503 120.400 0.019 0.000 2.280 229 K HA -0.090 4.220 4.320 -0.016 0.000 0.202 229 K C 1.357 177.978 176.600 0.035 0.000 1.047 229 K CA 0.857 57.160 56.287 0.027 0.000 0.942 229 K CB 0.086 32.606 32.500 0.033 0.000 0.739 229 K HN 0.145 nan 8.250 nan 0.000 0.457 230 E N -1.194 119.024 120.200 0.030 0.000 2.479 230 E HA 0.100 4.440 4.350 -0.016 0.000 0.193 230 E C 0.609 177.228 176.600 0.033 0.000 1.049 230 E CA 0.433 56.856 56.400 0.038 0.000 0.870 230 E CB 0.440 30.144 29.700 0.006 0.000 0.944 230 E HN 0.427 nan 8.360 nan 0.000 0.492 231 G N 1.581 110.396 108.800 0.024 0.000 2.195 231 G HA2 -0.248 3.702 3.960 -0.016 0.000 0.224 231 G HA3 -0.248 3.702 3.960 -0.016 0.000 0.224 231 G C 0.320 175.229 174.900 0.015 0.000 0.990 231 G CA -0.372 44.740 45.100 0.020 0.000 0.639 231 G HN 0.205 nan 8.290 nan 0.000 0.514 232 I N 1.983 122.562 120.570 0.014 0.000 2.517 232 I HA 0.451 4.611 4.170 -0.016 0.000 0.285 232 I C 1.308 177.425 176.117 0.000 0.000 1.106 232 I CA 0.166 61.471 61.300 0.009 0.000 1.402 232 I CB 0.635 38.641 38.000 0.011 0.000 1.399 232 I HN 0.374 nan 8.210 nan 0.000 0.535 233 R N 6.459 126.955 120.500 -0.006 0.000 2.210 233 R HA 0.528 4.859 4.340 -0.016 0.000 0.338 233 R C -0.858 175.431 176.300 -0.018 0.000 1.062 233 R CA -0.390 55.703 56.100 -0.012 0.000 0.902 233 R CB 0.161 30.451 30.300 -0.016 0.000 1.050 233 R HN 0.512 nan 8.270 nan 0.000 0.461 234 V N 4.850 124.754 119.914 -0.017 0.000 2.370 234 V HA 0.504 4.614 4.120 -0.016 0.000 0.279 234 V C -0.165 175.914 176.094 -0.025 0.000 1.029 234 V CA -0.986 61.301 62.300 -0.022 0.000 0.870 234 V CB 1.551 33.362 31.823 -0.019 0.000 0.984 234 V HN 0.820 nan 8.190 nan 0.000 0.451 235 R N 3.194 123.676 120.500 -0.030 0.000 2.320 235 R HA 0.440 4.770 4.340 -0.016 0.000 0.319 235 R C 0.179 176.457 176.300 -0.037 0.000 0.969 235 R CA -0.344 55.736 56.100 -0.033 0.000 0.857 235 R CB 1.554 31.833 30.300 -0.034 0.000 1.160 235 R HN 0.865 nan 8.270 nan 0.000 0.491 236 T N -1.437 113.093 114.554 -0.039 0.000 2.881 236 T HA 0.274 4.614 4.350 -0.016 0.000 0.278 236 T C 0.362 175.021 174.700 -0.068 0.000 0.982 236 T CA -0.812 61.262 62.100 -0.044 0.000 0.989 236 T CB 1.143 69.988 68.868 -0.039 0.000 1.058 236 T HN 0.580 nan 8.240 nan 0.000 0.529 237 K N -0.154 120.191 120.400 -0.092 0.000 3.016 237 K HA -0.145 4.165 4.320 -0.016 0.000 0.262 237 K C -0.455 176.031 176.600 -0.190 0.000 1.043 237 K CA 0.786 56.974 56.287 -0.165 0.000 0.761 237 K CB -2.162 30.264 32.500 -0.123 0.000 1.230 237 K HN 0.789 nan 8.250 nan 0.000 0.485 238 T N 0.500 114.966 114.554 -0.147 0.000 2.893 238 T HA 0.496 4.836 4.350 -0.016 0.000 0.291 238 T C -0.611 174.052 174.700 -0.061 0.000 1.028 238 T CA -1.019 61.018 62.100 -0.106 0.000 0.995 238 T CB 2.087 70.920 68.868 -0.058 0.000 1.051 238 T HN 0.292 nan 8.240 nan 0.000 0.470 239 K N 0.056 120.443 120.400 -0.022 0.000 2.435 239 K HA 0.871 5.181 4.320 -0.016 0.000 0.251 239 K C -1.394 175.247 176.600 0.068 0.000 0.954 239 K CA -1.213 55.116 56.287 0.071 0.000 0.820 239 K CB 2.149 34.750 32.500 0.167 0.000 1.292 239 K HN 0.572 nan 8.250 nan 0.000 0.436 240 A N 2.244 125.113 122.820 0.081 0.000 2.260 240 A HA 0.422 4.732 4.320 -0.016 0.000 0.314 240 A C 0.524 178.314 177.584 0.344 0.000 1.257 240 A CA -0.871 51.261 52.037 0.157 0.000 0.871 240 A CB 0.846 19.814 19.000 -0.052 0.000 1.166 240 A HN 0.554 nan 8.150 nan 0.000 0.522 241 V N 2.526 122.613 119.914 0.288 0.000 2.446 241 V HA 0.338 4.449 4.120 -0.016 0.000 0.244 241 V C 1.439 177.615 176.094 0.137 0.000 1.039 241 V CA 1.680 64.103 62.300 0.205 0.000 1.045 241 V CB -0.801 31.083 31.823 0.101 0.000 0.681 241 V HN 1.207 nan 8.190 nan 0.000 0.459 242 G N -1.296 107.549 108.800 0.075 0.000 0.000 242 G HA2 0.521 4.471 3.960 -0.016 0.000 0.000 242 G HA3 0.521 4.471 3.960 -0.016 0.000 0.000 242 G C -1.912 172.917 174.900 -0.120 0.000 0.000 242 G CA -0.045 44.842 45.100 -0.356 0.000 0.000 242 G HN 0.326 nan 8.290 nan 0.000 0.000 243 Y N -1.443 118.632 120.300 -0.376 0.000 2.670 243 Y HA 0.876 5.416 4.550 -0.016 0.000 0.334 243 Y C -1.109 174.730 175.900 -0.101 0.000 1.185 243 Y CA -1.409 56.613 58.100 -0.130 0.000 1.053 243 Y CB 1.843 40.281 38.460 -0.037 0.000 1.298 243 Y HN 0.733 nan 8.280 nan 0.000 0.459 244 E N 1.797 121.983 120.200 -0.024 0.000 2.263 244 E HA 0.293 4.633 4.350 -0.016 0.000 0.268 244 E C -1.735 174.916 176.600 0.084 0.000 0.884 244 E CA -1.048 55.274 56.400 -0.130 0.000 0.766 244 E CB 1.686 31.326 29.700 -0.100 0.000 1.196 244 E HN 0.660 nan 8.360 nan 0.000 0.416 245 K N 4.228 124.649 120.400 0.036 0.000 2.276 245 K HA 0.255 4.565 4.320 -0.016 0.000 0.285 245 K C -0.779 175.859 176.600 0.062 0.000 1.062 245 K CA -0.094 56.278 56.287 0.141 0.000 0.918 245 K CB 0.607 33.194 32.500 0.145 0.000 1.055 245 K HN 0.363 nan 8.250 nan 0.000 0.477 246 K N 2.772 123.235 120.400 0.105 0.000 2.346 246 K HA 0.178 4.488 4.320 -0.016 0.000 0.238 246 K C 0.449 177.097 176.600 0.080 0.000 1.039 246 K CA -0.901 55.414 56.287 0.047 0.000 0.861 246 K CB 1.449 33.933 32.500 -0.027 0.000 1.278 246 K HN 0.365 nan 8.250 nan 0.000 0.460 247 K N 1.046 121.479 120.400 0.054 0.000 2.147 247 K HA -0.157 4.153 4.320 -0.016 0.000 0.205 247 K C 0.668 177.309 176.600 0.069 0.000 1.049 247 K CA 2.228 58.547 56.287 0.053 0.000 0.936 247 K CB 0.039 32.561 32.500 0.036 0.000 0.722 247 K HN 0.586 nan 8.250 nan 0.000 0.446 248 D N -0.908 119.553 120.400 0.102 0.000 2.325 248 D HA 0.155 4.785 4.640 -0.016 0.000 0.225 248 D C 0.586 176.934 176.300 0.081 0.000 1.096 248 D CA 0.407 54.463 54.000 0.093 0.000 0.844 248 D CB 0.434 41.299 40.800 0.108 0.000 0.925 248 D HN 0.339 nan 8.370 nan 0.000 0.513 249 G N -0.628 108.234 108.800 0.104 0.000 2.353 249 G HA2 0.100 4.050 3.960 -0.016 0.000 0.615 249 G HA3 0.100 4.050 3.960 -0.016 0.000 0.615 249 G C -1.738 173.255 174.900 0.155 0.000 1.280 249 G CA -0.976 44.164 45.100 0.066 0.000 1.000 249 G HN 0.134 nan 8.290 nan 0.000 0.516 250 L N 1.822 123.095 121.223 0.083 0.000 2.260 250 L HA 0.396 4.726 4.340 -0.016 0.000 0.289 250 L C 0.617 177.578 176.870 0.152 0.000 1.057 250 L CA -0.302 54.643 54.840 0.176 0.000 0.811 250 L CB 0.807 42.886 42.059 0.033 0.000 1.184 250 L HN 0.539 nan 8.230 nan 0.000 0.429 251 H N 3.696 122.840 119.070 0.123 0.000 2.820 251 H HA 0.291 4.838 4.556 -0.016 0.000 0.278 251 H C -0.618 174.793 175.328 0.139 0.000 1.142 251 H CA -0.592 55.510 56.048 0.091 0.000 1.346 251 H CB 0.881 30.675 29.762 0.054 0.000 1.438 251 H HN 0.264 nan 8.280 nan 0.000 0.473 252 V N 4.635 124.664 119.914 0.193 0.000 2.465 252 V HA 0.146 4.256 4.120 -0.016 0.000 0.279 252 V C 0.699 176.895 176.094 0.170 0.000 1.045 252 V CA -0.646 61.796 62.300 0.236 0.000 0.938 252 V CB 1.656 33.607 31.823 0.213 0.000 0.986 252 V HN 0.656 nan 8.190 nan 0.000 0.467 253 R N 4.959 125.567 120.500 0.180 0.000 2.221 253 R HA 0.558 4.888 4.340 -0.016 0.000 0.327 253 R C -1.228 175.146 176.300 0.122 0.000 1.033 253 R CA -0.432 55.740 56.100 0.120 0.000 0.887 253 R CB 0.458 30.810 30.300 0.086 0.000 1.057 253 R HN 0.700 nan 8.270 nan 0.000 0.455 254 L N 3.964 125.233 121.223 0.076 0.000 2.331 254 L HA 0.492 4.822 4.340 -0.016 0.000 0.275 254 L C 0.323 177.213 176.870 0.033 0.000 1.022 254 L CA -0.538 54.334 54.840 0.054 0.000 0.812 254 L CB 1.969 44.043 42.059 0.025 0.000 1.257 254 L HN 0.792 nan 8.230 nan 0.000 0.435 255 E N 0.464 120.677 120.200 0.022 0.000 4.380 255 E HA 0.026 4.366 4.350 -0.016 0.000 0.137 255 E C -0.006 176.575 176.600 -0.031 0.000 1.142 255 E CA -0.581 55.820 56.400 0.003 0.000 0.794 255 E CB 0.138 29.848 29.700 0.016 0.000 1.904 255 E HN 0.626 nan 8.360 nan 0.000 0.423 256 E N 1.496 121.588 120.200 -0.180 0.000 2.565 256 E HA -0.282 4.058 4.350 -0.016 0.000 0.264 256 E C 0.362 176.954 176.600 -0.013 0.000 1.343 256 E CA 1.429 57.803 56.400 -0.044 0.000 0.996 256 E CB -1.449 28.235 29.700 -0.028 0.000 0.913 256 E HN 0.644 nan 8.360 nan 0.000 0.580 257 G N -1.645 107.139 108.800 -0.027 0.000 2.719 257 G HA2 0.331 4.282 3.960 -0.016 0.000 0.686 257 G HA3 0.331 4.282 3.960 -0.016 0.000 0.686 257 G C 0.121 175.014 174.900 -0.012 0.000 1.201 257 G CA 0.052 45.150 45.100 -0.004 0.000 0.768 257 G HN 1.185 nan 8.290 nan 0.000 0.629 258 G N -0.768 108.029 108.800 -0.006 0.000 2.455 258 G HA2 0.791 4.741 3.960 -0.016 0.000 0.223 258 G HA3 0.791 4.741 3.960 -0.016 0.000 0.223 258 G C 0.023 174.921 174.900 -0.004 0.000 1.226 258 G CA 0.956 46.051 45.100 -0.008 0.000 0.948 258 G HN 2.382 nan 8.290 nan 0.000 0.478 259 E N -0.171 120.025 120.200 -0.006 0.000 2.480 259 E HA 0.486 4.826 4.350 -0.016 0.000 0.258 259 E C 0.909 177.510 176.600 0.001 0.000 0.984 259 E CA 0.434 56.832 56.400 -0.002 0.000 0.930 259 E CB 0.026 29.724 29.700 -0.004 0.000 0.936 259 E HN 1.955 nan 8.360 nan 0.000 0.466 260 G N 1.555 110.360 108.800 0.007 0.000 2.503 260 G HA2 0.477 4.427 3.960 -0.016 0.000 0.257 260 G HA3 0.477 4.427 3.960 -0.016 0.000 0.257 260 G C -0.071 174.837 174.900 0.015 0.000 1.214 260 G CA 0.148 45.257 45.100 0.014 0.000 0.839 260 G HN 0.864 nan 8.290 nan 0.000 0.559 261 E N 0.627 120.839 120.200 0.020 0.000 2.291 261 E HA 0.294 4.634 4.350 -0.016 0.000 0.276 261 E C -1.015 175.602 176.600 0.028 0.000 0.896 261 E CA -0.793 55.617 56.400 0.017 0.000 0.774 261 E CB 2.145 31.849 29.700 0.006 0.000 1.227 261 E HN 0.542 nan 8.360 nan 0.000 0.413 262 E N 2.661 122.879 120.200 0.031 0.000 2.277 262 E HA 0.443 4.783 4.350 -0.016 0.000 0.274 262 E C -1.486 175.118 176.600 0.007 0.000 1.022 262 E CA -0.880 55.543 56.400 0.038 0.000 0.853 262 E CB 1.995 31.734 29.700 0.065 0.000 1.086 262 E HN 0.326 nan 8.360 nan 0.000 0.397 263 V N 4.787 124.698 119.914 -0.006 0.000 2.733 263 V HA 0.363 4.473 4.120 -0.016 0.000 0.306 263 V C -1.375 174.665 176.094 -0.089 0.000 1.084 263 V CA -0.612 61.662 62.300 -0.044 0.000 0.905 263 V CB 1.984 33.787 31.823 -0.033 0.000 1.010 263 V HN 0.545 nan 8.190 nan 0.000 0.424 264 V N 7.382 127.204 119.914 -0.153 0.000 2.398 264 V HA 0.747 4.857 4.120 -0.016 0.000 0.286 264 V C 0.036 176.039 176.094 -0.150 0.000 1.026 264 V CA -0.067 62.091 62.300 -0.237 0.000 0.868 264 V CB 1.410 32.993 31.823 -0.401 0.000 0.982 264 V HN 0.972 nan 8.190 nan 0.000 0.443 265 V N 0.973 120.809 119.914 -0.130 0.000 3.167 265 V HA 0.660 4.770 4.120 -0.016 0.000 0.310 265 V C 0.100 176.121 176.094 -0.121 0.000 1.207 265 V CA -0.594 61.633 62.300 -0.121 0.000 1.059 265 V CB 2.448 34.187 31.823 -0.141 0.000 1.079 265 V HN 0.582 nan 8.190 nan 0.000 0.446 266 D N -0.124 120.194 120.400 -0.136 0.000 2.277 266 D HA 0.221 4.851 4.640 -0.016 0.000 0.209 266 D C 0.064 176.220 176.300 -0.240 0.000 0.970 266 D CA 0.937 54.856 54.000 -0.135 0.000 0.874 266 D CB 0.674 41.418 40.800 -0.094 0.000 0.982 266 D HN 0.422 nan 8.370 nan 0.000 0.504 267 K N -0.206 119.976 120.400 -0.365 0.000 2.512 267 K HA 0.489 4.799 4.320 -0.016 0.000 0.263 267 K C -1.361 174.912 176.600 -0.545 0.000 0.966 267 K CA -0.683 55.231 56.287 -0.622 0.000 0.851 267 K CB 3.301 35.120 32.500 -1.134 0.000 1.395 267 K HN -0.320 nan 8.250 nan 0.000 0.440 268 V N 2.703 122.280 119.914 -0.560 0.000 2.540 268 V HA 0.492 4.602 4.120 -0.016 0.000 0.302 268 V C -1.250 174.662 176.094 -0.304 0.000 1.035 268 V CA -0.966 61.100 62.300 -0.390 0.000 0.873 268 V CB 1.590 33.213 31.823 -0.333 0.000 0.992 268 V HN 0.603 nan 8.190 nan 0.000 0.428 269 L N 6.779 127.874 121.223 -0.213 0.000 2.280 269 L HA 0.658 4.988 4.340 -0.016 0.000 0.287 269 L C -0.486 176.359 176.870 -0.042 0.000 1.023 269 L CA 0.049 54.864 54.840 -0.042 0.000 0.819 269 L CB 1.597 43.629 42.059 -0.045 0.000 1.212 269 L HN 0.428 nan 8.230 nan 0.000 0.420 270 V N 5.708 125.665 119.914 0.072 0.000 2.348 270 V HA 0.671 4.781 4.120 -0.016 0.000 0.270 270 V C 0.645 176.812 176.094 0.120 0.000 1.037 270 V CA 0.109 62.428 62.300 0.033 0.000 0.872 270 V CB 0.782 32.610 31.823 0.008 0.000 1.002 270 V HN 0.943 nan 8.190 nan 0.000 0.464 271 A N 4.364 127.209 122.820 0.041 0.000 3.253 271 A HA 0.513 4.823 4.320 -0.016 0.000 0.290 271 A C 0.582 178.183 177.584 0.029 0.000 0.950 271 A CA -0.002 52.068 52.037 0.055 0.000 0.986 271 A CB 0.717 19.741 19.000 0.039 0.000 1.104 271 A HN 1.024 nan 8.150 nan 0.000 0.481 272 V N -2.782 117.151 119.914 0.032 0.000 3.647 272 V HA 0.639 4.749 4.120 -0.016 0.000 0.279 272 V C 0.743 176.852 176.094 0.025 0.000 1.314 272 V CA 0.596 62.903 62.300 0.011 0.000 1.125 272 V CB -0.712 31.104 31.823 -0.012 0.000 0.907 272 V HN 1.490 nan 8.190 nan 0.000 0.434 273 G N 0.101 108.931 108.800 0.050 0.000 2.350 273 G HA2 0.343 4.293 3.960 -0.016 0.000 0.282 273 G HA3 0.343 4.293 3.960 -0.016 0.000 0.282 273 G C -1.543 173.398 174.900 0.069 0.000 1.314 273 G CA -0.925 44.209 45.100 0.056 0.000 0.915 273 G HN 0.310 nan 8.290 nan 0.000 0.499 274 R N -0.261 120.280 120.500 0.069 0.000 2.837 274 R HA 0.681 5.011 4.340 -0.016 0.000 0.271 274 R C -0.893 175.422 176.300 0.024 0.000 0.993 274 R CA -0.915 55.219 56.100 0.057 0.000 0.931 274 R CB 2.285 32.624 30.300 0.066 0.000 1.206 274 R HN 0.676 nan 8.270 nan 0.000 0.474 275 K N 2.761 123.153 120.400 -0.013 0.000 2.413 275 K HA 0.389 4.699 4.320 -0.016 0.000 0.257 275 K C -2.373 174.147 176.600 -0.133 0.000 0.946 275 K CA -1.905 54.326 56.287 -0.092 0.000 0.823 275 K CB 1.814 34.286 32.500 -0.046 0.000 1.109 275 K HN 0.218 nan 8.250 nan 0.000 0.427 276 P HA 0.016 nan 4.420 nan 0.000 0.268 276 P C -1.008 176.216 177.300 -0.126 0.000 1.204 276 P CA 0.018 62.979 63.100 -0.230 0.000 0.768 276 P CB 0.515 31.921 31.700 -0.490 0.000 0.842 277 R N 2.047 122.517 120.500 -0.050 0.000 3.268 277 R HA 0.152 4.482 4.340 -0.016 0.000 0.217 277 R C 0.942 177.242 176.300 -0.000 0.000 1.568 277 R CA 0.115 56.212 56.100 -0.004 0.000 1.322 277 R CB -0.601 29.716 30.300 0.029 0.000 1.280 277 R HN 0.561 nan 8.270 nan 0.000 0.667 278 T N -3.251 111.292 114.554 -0.019 0.000 3.043 278 T HA 0.148 4.489 4.350 -0.016 0.000 0.272 278 T C 0.381 175.088 174.700 0.012 0.000 0.990 278 T CA -0.402 61.693 62.100 -0.009 0.000 0.897 278 T CB 0.463 69.310 68.868 -0.034 0.000 1.111 278 T HN 0.255 nan 8.240 nan 0.000 0.529 279 E N 1.002 121.217 120.200 0.024 0.000 2.266 279 E HA 0.510 4.850 4.350 -0.016 0.000 0.277 279 E C 0.769 177.418 176.600 0.081 0.000 1.018 279 E CA -0.409 56.012 56.400 0.034 0.000 0.840 279 E CB 1.101 30.810 29.700 0.016 0.000 1.082 279 E HN 0.367 nan 8.360 nan 0.000 0.395 280 G N 2.130 110.976 108.800 0.076 0.000 2.179 280 G HA2 -0.267 3.683 3.960 -0.016 0.000 0.257 280 G HA3 -0.267 3.683 3.960 -0.016 0.000 0.257 280 G C 0.368 175.392 174.900 0.206 0.000 1.010 280 G CA 0.498 45.667 45.100 0.115 0.000 0.736 280 G HN 0.435 nan 8.290 nan 0.000 0.513 281 L N -0.196 121.106 121.223 0.132 0.000 2.640 281 L HA 0.556 4.887 4.340 -0.016 0.000 0.230 281 L C 1.945 178.845 176.870 0.051 0.000 1.123 281 L CA 1.465 56.356 54.840 0.085 0.000 0.900 281 L CB -0.015 42.058 42.059 0.023 0.000 1.146 281 L HN 1.382 nan 8.230 nan 0.000 0.484 282 G N -0.511 108.324 108.800 0.059 0.000 2.143 282 G HA2 -0.299 3.651 3.960 -0.016 0.000 0.249 282 G HA3 -0.299 3.651 3.960 -0.016 0.000 0.249 282 G C 1.000 175.916 174.900 0.026 0.000 0.981 282 G CA 0.567 45.693 45.100 0.043 0.000 0.665 282 G HN 0.371 nan 8.290 nan 0.000 0.528 283 L N 0.686 121.922 121.223 0.021 0.000 2.131 283 L HA -0.069 4.261 4.340 -0.016 0.000 0.210 283 L C 2.877 179.755 176.870 0.012 0.000 1.092 283 L CA 1.886 56.733 54.840 0.012 0.000 0.759 283 L CB -0.384 41.681 42.059 0.010 0.000 0.903 283 L HN 0.595 nan 8.230 nan 0.000 0.435 284 E N 0.858 121.067 120.200 0.015 0.000 2.418 284 E HA -0.193 4.147 4.350 -0.016 0.000 0.197 284 E C 1.367 177.975 176.600 0.013 0.000 1.026 284 E CA 0.851 57.258 56.400 0.013 0.000 0.862 284 E CB -0.087 29.621 29.700 0.014 0.000 0.799 284 E HN 0.524 nan 8.360 nan 0.000 0.518 285 K N 0.101 120.510 120.400 0.016 0.000 2.352 285 K HA 0.248 4.559 4.320 -0.016 0.000 0.194 285 K C 1.649 178.257 176.600 0.014 0.000 1.038 285 K CA 0.602 56.899 56.287 0.017 0.000 1.023 285 K CB 0.588 33.101 32.500 0.023 0.000 0.840 285 K HN 0.132 nan 8.250 nan 0.000 0.519 286 A N 0.316 123.143 122.820 0.011 0.000 2.288 286 A HA 0.323 4.633 4.320 -0.016 0.000 0.216 286 A C 1.325 178.909 177.584 0.001 0.000 1.199 286 A CA 0.631 52.672 52.037 0.007 0.000 0.891 286 A CB 0.199 19.203 19.000 0.007 0.000 0.923 286 A HN 0.295 nan 8.150 nan 0.000 0.500 287 G N -1.052 107.749 108.800 0.002 0.000 2.141 287 G HA2 -0.180 3.770 3.960 -0.016 0.000 0.242 287 G HA3 -0.180 3.770 3.960 -0.016 0.000 0.242 287 G C 0.126 175.023 174.900 -0.006 0.000 0.982 287 G CA 0.073 45.172 45.100 -0.002 0.000 0.662 287 G HN 0.778 nan 8.290 nan 0.000 0.527 288 V N 1.728 121.639 119.914 -0.005 0.000 2.470 288 V HA 0.257 4.368 4.120 -0.016 0.000 0.276 288 V C 1.013 177.107 176.094 -0.000 0.000 1.040 288 V CA 0.014 62.310 62.300 -0.007 0.000 1.008 288 V CB 1.072 32.892 31.823 -0.005 0.000 0.990 288 V HN 0.334 nan 8.190 nan 0.000 0.477 289 K N 3.788 124.188 120.400 -0.000 0.000 2.270 289 K HA 0.537 4.848 4.320 -0.016 0.000 0.276 289 K C -0.729 175.881 176.600 0.016 0.000 1.023 289 K CA -0.312 55.979 56.287 0.007 0.000 0.955 289 K CB 1.386 33.889 32.500 0.005 0.000 0.975 289 K HN 0.451 nan 8.250 nan 0.000 0.471 290 V N 2.763 122.688 119.914 0.020 0.000 2.735 290 V HA 0.087 4.197 4.120 -0.016 0.000 0.310 290 V C -0.377 175.739 176.094 0.036 0.000 1.061 290 V CA -1.050 61.267 62.300 0.030 0.000 0.913 290 V CB 1.928 33.759 31.823 0.013 0.000 1.005 290 V HN 0.904 nan 8.190 nan 0.000 0.428 291 D N 1.860 122.299 120.400 0.064 0.000 2.433 291 D HA 0.160 4.790 4.640 -0.016 0.000 0.255 291 D C 0.892 177.221 176.300 0.049 0.000 1.226 291 D CA -0.454 53.585 54.000 0.066 0.000 1.015 291 D CB 0.700 41.562 40.800 0.103 0.000 1.091 291 D HN 0.569 nan 8.370 nan 0.000 0.527 292 E N -0.751 119.477 120.200 0.046 0.000 2.171 292 E HA -0.217 4.123 4.350 -0.016 0.000 0.197 292 E C 1.776 178.388 176.600 0.018 0.000 0.997 292 E CA 0.992 57.410 56.400 0.028 0.000 0.810 292 E CB -0.116 29.602 29.700 0.029 0.000 0.738 292 E HN 0.399 nan 8.360 nan 0.000 0.467 293 R N -0.794 119.737 120.500 0.050 0.000 2.299 293 R HA 0.050 4.380 4.340 -0.016 0.000 0.197 293 R C 1.328 177.512 176.300 -0.193 0.000 0.971 293 R CA 0.545 56.646 56.100 0.003 0.000 1.030 293 R CB 0.472 30.887 30.300 0.193 0.000 0.932 293 R HN 0.271 nan 8.270 nan 0.000 0.477 294 G N 0.083 108.799 108.800 -0.141 0.000 2.176 294 G HA2 -0.255 3.696 3.960 -0.016 0.000 0.232 294 G HA3 -0.255 3.696 3.960 -0.016 0.000 0.232 294 G C -0.000 174.743 174.900 -0.260 0.000 0.986 294 G CA -0.605 44.366 45.100 -0.215 0.000 0.643 294 G HN 0.184 nan 8.290 nan 0.000 0.522 295 F N 0.994 120.941 119.950 -0.006 0.000 2.412 295 F HA 0.580 5.097 4.527 -0.016 0.000 0.348 295 F C 1.376 177.169 175.800 -0.013 0.000 1.102 295 F CA -0.808 57.184 58.000 -0.012 0.000 1.196 295 F CB 0.811 39.800 39.000 -0.019 0.000 1.144 295 F HN -0.054 nan 8.300 nan 0.000 0.541 296 I N 4.213 124.890 120.570 0.178 0.000 2.517 296 I HA 0.093 4.253 4.170 -0.016 0.000 0.285 296 I C 0.347 176.513 176.117 0.082 0.000 1.106 296 I CA -0.143 61.212 61.300 0.092 0.000 1.402 296 I CB 0.298 38.335 38.000 0.061 0.000 1.399 296 I HN 0.465 nan 8.210 nan 0.000 0.535 297 R N 5.955 126.488 120.500 0.054 0.000 2.449 297 R HA 0.331 4.661 4.340 -0.016 0.000 0.296 297 R C -0.494 175.812 176.300 0.010 0.000 1.047 297 R CA -0.154 55.964 56.100 0.030 0.000 1.018 297 R CB 0.535 30.847 30.300 0.021 0.000 0.962 297 R HN 0.569 nan 8.270 nan 0.000 0.428 298 V N -0.231 119.683 119.914 -0.000 0.000 3.130 298 V HA 0.520 4.630 4.120 -0.016 0.000 0.310 298 V C -0.670 175.421 176.094 -0.005 0.000 1.158 298 V CA -1.362 60.937 62.300 -0.002 0.000 1.029 298 V CB 2.149 33.977 31.823 0.008 0.000 1.057 298 V HN 0.836 nan 8.190 nan 0.000 0.436 299 N N 1.772 120.477 118.700 0.008 0.000 2.681 299 N HA 0.652 5.382 4.740 -0.016 0.000 0.311 299 N C 0.952 176.483 175.510 0.035 0.000 1.303 299 N CA -0.175 52.884 53.050 0.015 0.000 0.926 299 N CB 0.746 39.243 38.487 0.017 0.000 1.136 299 N HN 1.002 nan 8.380 nan 0.000 0.592 300 A N -0.811 122.037 122.820 0.047 0.000 2.121 300 A HA -0.043 4.267 4.320 -0.016 0.000 0.218 300 A C 1.777 179.436 177.584 0.124 0.000 1.154 300 A CA 0.824 52.911 52.037 0.083 0.000 0.679 300 A CB -0.639 18.402 19.000 0.069 0.000 0.795 300 A HN 0.619 nan 8.150 nan 0.000 0.458 301 R N -1.552 119.019 120.500 0.119 0.000 2.310 301 R HA 0.143 4.473 4.340 -0.016 0.000 0.202 301 R C 0.058 176.502 176.300 0.239 0.000 0.933 301 R CA 0.249 56.448 56.100 0.166 0.000 1.054 301 R CB 0.067 30.466 30.300 0.166 0.000 0.985 301 R HN 0.350 nan 8.270 nan 0.000 0.489 302 M N -0.559 119.150 119.600 0.182 0.000 2.943 302 M HA -0.211 4.259 4.480 -0.016 0.000 0.198 302 M C -0.252 176.195 176.300 0.245 0.000 0.606 302 M CA 0.965 56.381 55.300 0.193 0.000 0.744 302 M CB -2.360 30.363 32.600 0.205 0.000 2.671 302 M HN 0.217 nan 8.290 nan 0.000 0.342 303 E N 1.479 121.761 120.200 0.135 0.000 2.283 303 E HA 0.415 4.755 4.350 -0.016 0.000 0.278 303 E C 0.870 177.407 176.600 -0.104 0.000 1.027 303 E CA 0.360 56.679 56.400 -0.136 0.000 0.843 303 E CB 1.201 30.771 29.700 -0.215 0.000 1.062 303 E HN 0.378 nan 8.360 nan 0.000 0.401 304 T N 0.224 114.687 114.554 -0.151 0.000 2.793 304 T HA 0.059 4.399 4.350 -0.016 0.000 0.299 304 T C 1.337 175.988 174.700 -0.083 0.000 1.038 304 T CA 0.044 62.095 62.100 -0.081 0.000 0.948 304 T CB 0.832 69.661 68.868 -0.066 0.000 1.231 304 T HN 0.450 nan 8.240 nan 0.000 0.538 305 S N -1.138 114.531 115.700 -0.051 0.000 2.507 305 S HA 0.076 4.536 4.470 -0.016 0.000 0.235 305 S C 0.576 175.145 174.600 -0.052 0.000 0.988 305 S CA -0.234 57.941 58.200 -0.042 0.000 0.944 305 S CB -0.555 62.631 63.200 -0.023 0.000 0.762 305 S HN 0.559 nan 8.310 nan 0.000 0.526 306 V N 3.644 123.515 119.914 -0.071 0.000 2.347 306 V HA 0.400 4.510 4.120 -0.016 0.000 0.280 306 V C -2.568 173.457 176.094 -0.116 0.000 1.021 306 V CA -2.309 59.948 62.300 -0.072 0.000 0.847 306 V CB 1.101 32.892 31.823 -0.054 0.000 0.990 306 V HN 0.105 nan 8.190 nan 0.000 0.444 307 P HA 0.177 nan 4.420 nan 0.000 0.261 307 P C 1.024 178.250 177.300 -0.124 0.000 1.183 307 P CA 1.470 64.502 63.100 -0.113 0.000 0.761 307 P CB 0.538 32.205 31.700 -0.056 0.000 0.785 308 G N 1.453 110.127 108.800 -0.211 0.000 2.195 308 G HA2 -0.200 3.750 3.960 -0.016 0.000 0.246 308 G HA3 -0.200 3.750 3.960 -0.016 0.000 0.246 308 G C -0.035 174.770 174.900 -0.159 0.000 0.984 308 G CA -0.152 44.879 45.100 -0.116 0.000 0.633 308 G HN 0.532 nan 8.290 nan 0.000 0.525 309 V N 1.406 121.142 119.914 -0.297 0.000 2.384 309 V HA 0.708 4.818 4.120 -0.016 0.000 0.287 309 V C -0.250 175.644 176.094 -0.334 0.000 1.020 309 V CA -0.920 61.278 62.300 -0.170 0.000 0.850 309 V CB 0.985 32.759 31.823 -0.082 0.000 0.987 309 V HN 0.261 nan 8.190 nan 0.000 0.436 310 Y N 2.322 122.627 120.300 0.008 0.000 2.549 310 Y HA 0.849 5.390 4.550 -0.016 0.000 0.339 310 Y C 0.352 176.253 175.900 0.002 0.000 1.053 310 Y CA -0.888 57.217 58.100 0.008 0.000 1.105 310 Y CB 2.043 40.511 38.460 0.013 0.000 1.258 310 Y HN 0.682 nan 8.280 nan 0.000 0.478 311 A N 2.441 125.357 122.820 0.160 0.000 2.449 311 A HA 0.887 5.197 4.320 -0.016 0.000 0.302 311 A C -1.129 176.495 177.584 0.068 0.000 1.048 311 A CA -0.630 51.459 52.037 0.086 0.000 0.708 311 A CB 1.026 20.058 19.000 0.054 0.000 1.274 311 A HN 0.771 nan 8.150 nan 0.000 0.410 312 I N -1.275 119.317 120.570 0.036 0.000 3.191 312 I HA 0.925 5.085 4.170 -0.016 0.000 0.313 312 I C 0.544 176.651 176.117 -0.017 0.000 1.193 312 I CA -0.364 60.937 61.300 0.001 0.000 0.968 312 I CB 1.810 39.809 38.000 -0.001 0.000 1.262 312 I HN 1.872 nan 8.210 nan 0.000 0.456 313 G N 2.436 111.204 108.800 -0.053 0.000 2.569 313 G HA2 -0.267 3.683 3.960 -0.016 0.000 0.259 313 G HA3 -0.267 3.683 3.960 -0.016 0.000 0.259 313 G C 0.081 174.971 174.900 -0.017 0.000 1.263 313 G CA 0.770 45.837 45.100 -0.055 0.000 0.928 313 G HN 0.865 nan 8.290 nan 0.000 0.572 314 D N 0.431 120.841 120.400 0.017 0.000 2.221 314 D HA 0.119 4.750 4.640 -0.016 0.000 0.204 314 D C 2.655 179.083 176.300 0.212 0.000 0.982 314 D CA 2.142 56.203 54.000 0.101 0.000 0.857 314 D CB -0.560 40.286 40.800 0.078 0.000 0.934 314 D HN 0.891 nan 8.370 nan 0.000 0.475 315 A N 0.107 123.003 122.820 0.126 0.000 2.119 315 A HA 0.214 4.524 4.320 -0.016 0.000 0.216 315 A C 2.130 179.849 177.584 0.224 0.000 1.152 315 A CA 1.470 53.587 52.037 0.133 0.000 0.708 315 A CB -0.137 18.892 19.000 0.050 0.000 0.805 315 A HN 0.224 nan 8.150 nan 0.000 0.460 316 A N -0.251 122.670 122.820 0.168 0.000 1.924 316 A HA 0.407 4.718 4.320 -0.016 0.000 0.211 316 A C 1.052 178.652 177.584 0.027 0.000 1.198 316 A CA 0.956 53.055 52.037 0.105 0.000 0.657 316 A CB 0.113 19.117 19.000 0.005 0.000 0.852 316 A HN 0.706 nan 8.150 nan 0.000 0.454 317 R N -2.786 117.621 120.500 -0.156 0.000 3.062 317 R HA 0.356 4.686 4.340 -0.016 0.000 0.279 317 R C -3.724 172.245 176.300 -0.552 0.000 1.003 317 R CA -1.367 54.358 56.100 -0.624 0.000 0.872 317 R CB 0.113 30.175 30.300 -0.396 0.000 1.280 317 R HN -0.095 nan 8.270 nan 0.000 0.516 318 P HA 0.311 nan 4.420 nan 0.000 0.278 318 P C -2.424 174.732 177.300 -0.239 0.000 1.266 318 P CA -1.324 61.574 63.100 -0.338 0.000 0.807 318 P CB 0.260 31.781 31.700 -0.299 0.000 1.094 319 P HA 0.121 nan 4.420 nan 0.000 0.271 319 P C -0.643 176.607 177.300 -0.083 0.000 1.218 319 P CA 0.166 63.219 63.100 -0.077 0.000 0.780 319 P CB 0.528 32.216 31.700 -0.020 0.000 0.901 320 L N 3.170 124.374 121.223 -0.032 0.000 2.399 320 L HA 0.315 4.645 4.340 -0.016 0.000 0.257 320 L C 0.233 177.083 176.870 -0.035 0.000 1.236 320 L CA -0.076 54.755 54.840 -0.015 0.000 1.144 320 L CB -0.792 41.295 42.059 0.046 0.000 1.379 320 L HN 0.202 nan 8.230 nan 0.000 0.414 321 L N 0.274 121.431 121.223 -0.110 0.000 2.370 321 L HA 0.581 4.911 4.340 -0.016 0.000 0.266 321 L C 1.119 177.835 176.870 -0.256 0.000 1.002 321 L CA -0.458 54.266 54.840 -0.193 0.000 0.818 321 L CB 1.985 43.825 42.059 -0.366 0.000 1.325 321 L HN 0.389 nan 8.230 nan 0.000 0.418 322 A N 0.953 123.667 122.820 -0.176 0.000 1.873 322 A HA -0.173 4.137 4.320 -0.016 0.000 0.215 322 A C 2.031 179.522 177.584 -0.155 0.000 1.186 322 A CA 1.634 53.605 52.037 -0.111 0.000 0.616 322 A CB -0.824 18.182 19.000 0.010 0.000 0.823 322 A HN 0.949 nan 8.150 nan 0.000 0.442 323 H N -0.141 118.907 119.070 -0.037 0.000 2.421 323 H HA -0.125 4.428 4.556 -0.005 0.000 0.298 323 H C 1.834 177.143 175.328 -0.033 0.000 1.087 323 H CA 1.543 57.556 56.048 -0.058 0.000 1.330 323 H CB -0.561 29.193 29.762 -0.013 0.000 1.388 323 H HN 0.624 nan 8.280 nan 0.000 0.526 324 K N 1.638 121.873 120.400 -0.275 0.000 2.025 324 K HA -0.044 4.266 4.320 -0.016 0.000 0.207 324 K C 2.541 179.112 176.600 -0.047 0.000 1.049 324 K CA 1.186 57.441 56.287 -0.052 0.000 0.933 324 K CB -0.198 32.209 32.500 -0.156 0.000 0.714 324 K HN 0.216 nan 8.250 nan 0.000 0.438 325 A N 1.397 124.132 122.820 -0.143 0.000 1.908 325 A HA -0.185 4.125 4.320 -0.016 0.000 0.218 325 A C 2.182 179.659 177.584 -0.178 0.000 1.181 325 A CA 1.943 53.898 52.037 -0.138 0.000 0.627 325 A CB -0.547 18.367 19.000 -0.143 0.000 0.818 325 A HN 0.411 nan 8.150 nan 0.000 0.445 326 M N -1.562 117.858 119.600 -0.301 0.000 2.080 326 M HA -0.178 4.292 4.480 -0.016 0.000 0.260 326 M C 2.358 178.497 176.300 -0.268 0.000 1.068 326 M CA 2.095 57.041 55.300 -0.590 0.000 1.109 326 M CB -0.260 31.813 32.600 -0.878 0.000 1.342 326 M HN 0.380 nan 8.290 nan 0.000 0.405 327 R N 0.865 121.309 120.500 -0.092 0.000 2.096 327 R HA -0.108 4.222 4.340 -0.016 0.000 0.235 327 R C 1.661 178.051 176.300 0.149 0.000 1.127 327 R CA 1.762 57.873 56.100 0.018 0.000 0.968 327 R CB -0.459 29.854 30.300 0.021 0.000 0.861 327 R HN 0.442 nan 8.270 nan 0.000 0.440 328 E N -1.182 119.137 120.200 0.199 0.000 2.153 328 E HA -0.091 4.249 4.350 -0.016 0.000 0.194 328 E C 1.819 178.460 176.600 0.069 0.000 0.988 328 E CA 1.098 57.603 56.400 0.175 0.000 0.811 328 E CB -0.235 29.483 29.700 0.030 0.000 0.746 328 E HN 0.602 nan 8.360 nan 0.000 0.466 329 G N 1.273 110.080 108.800 0.012 0.000 2.402 329 G HA2 -0.216 3.734 3.960 -0.016 0.000 0.216 329 G HA3 -0.216 3.734 3.960 -0.016 0.000 0.216 329 G C 1.577 176.483 174.900 0.009 0.000 1.162 329 G CA 0.365 45.464 45.100 -0.003 0.000 0.777 329 G HN 0.079 nan 8.290 nan 0.000 0.539 330 L N 0.389 121.635 121.223 0.037 0.000 2.046 330 L HA -0.059 4.271 4.340 -0.016 0.000 0.208 330 L C 2.823 179.698 176.870 0.008 0.000 1.077 330 L CA 0.447 55.304 54.840 0.028 0.000 0.747 330 L CB -0.445 41.636 42.059 0.037 0.000 0.896 330 L HN 0.103 nan 8.230 nan 0.000 0.432 331 I N 0.566 121.163 120.570 0.046 0.000 2.179 331 I HA -0.267 3.893 4.170 -0.016 0.000 0.242 331 I C 2.880 178.968 176.117 -0.047 0.000 1.088 331 I CA 1.760 63.093 61.300 0.055 0.000 1.357 331 I CB -1.461 36.640 38.000 0.168 0.000 1.051 331 I HN 0.189 nan 8.210 nan 0.000 0.409 332 A N 0.794 123.556 122.820 -0.097 0.000 1.902 332 A HA -0.110 4.200 4.320 -0.016 0.000 0.217 332 A C 2.573 179.887 177.584 -0.451 0.000 1.181 332 A CA 2.010 53.833 52.037 -0.357 0.000 0.623 332 A CB -0.768 18.098 19.000 -0.223 0.000 0.818 332 A HN 0.428 nan 8.150 nan 0.000 0.443 333 A N -0.148 122.542 122.820 -0.217 0.000 1.877 333 A HA -0.177 4.133 4.320 -0.016 0.000 0.216 333 A C 1.919 179.419 177.584 -0.139 0.000 1.186 333 A CA 1.665 53.605 52.037 -0.160 0.000 0.620 333 A CB -0.560 18.395 19.000 -0.075 0.000 0.822 333 A HN 0.631 nan 8.150 nan 0.000 0.443 334 E N -0.108 120.032 120.200 -0.100 0.000 2.077 334 E HA -0.178 4.162 4.350 -0.016 0.000 0.193 334 E C 1.716 178.275 176.600 -0.067 0.000 0.989 334 E CA 1.166 57.531 56.400 -0.058 0.000 0.800 334 E CB -0.189 29.497 29.700 -0.023 0.000 0.746 334 E HN 0.530 nan 8.360 nan 0.000 0.452 335 N N 0.596 119.223 118.700 -0.122 0.000 2.244 335 N HA -0.083 4.647 4.740 -0.016 0.000 0.183 335 N C 1.610 177.082 175.510 -0.063 0.000 1.016 335 N CA 1.113 54.121 53.050 -0.069 0.000 0.866 335 N CB -0.220 38.252 38.487 -0.025 0.000 0.980 335 N HN 0.116 nan 8.380 nan 0.000 0.430 336 A N 0.593 123.269 122.820 -0.239 0.000 2.015 336 A HA 0.119 4.429 4.320 -0.016 0.000 0.219 336 A C 2.060 179.643 177.584 -0.002 0.000 1.163 336 A CA 1.501 53.488 52.037 -0.082 0.000 0.646 336 A CB -0.397 18.511 19.000 -0.153 0.000 0.806 336 A HN 0.278 nan 8.150 nan 0.000 0.448 337 A N -1.995 120.809 122.820 -0.026 0.000 2.251 337 A HA 0.427 4.737 4.320 -0.016 0.000 0.209 337 A C 1.704 179.298 177.584 0.015 0.000 1.187 337 A CA 1.170 53.207 52.037 -0.000 0.000 0.823 337 A CB -0.719 18.275 19.000 -0.011 0.000 0.846 337 A HN 1.772 nan 8.150 nan 0.000 0.486 338 G N -0.796 108.020 108.800 0.026 0.000 2.176 338 G HA2 -0.218 3.732 3.960 -0.016 0.000 0.232 338 G HA3 -0.218 3.732 3.960 -0.016 0.000 0.232 338 G C 0.384 175.303 174.900 0.031 0.000 0.986 338 G CA 0.356 45.478 45.100 0.036 0.000 0.643 338 G HN 0.542 nan 8.290 nan 0.000 0.522 339 K N -0.013 120.400 120.400 0.021 0.000 2.273 339 K HA 0.462 4.772 4.320 -0.016 0.000 0.240 339 K C -0.539 176.081 176.600 0.032 0.000 1.056 339 K CA 0.027 56.327 56.287 0.021 0.000 0.910 339 K CB 0.422 32.929 32.500 0.012 0.000 1.196 339 K HN 0.105 nan 8.250 nan 0.000 0.509 340 D N 0.337 120.755 120.400 0.031 0.000 2.434 340 D HA 0.167 4.797 4.640 -0.016 0.000 0.275 340 D C -1.324 174.998 176.300 0.038 0.000 1.172 340 D CA -0.152 53.871 54.000 0.037 0.000 0.916 340 D CB 0.491 41.309 40.800 0.030 0.000 1.041 340 D HN 0.260 nan 8.370 nan 0.000 0.501 341 S N 0.937 116.665 115.700 0.047 0.000 2.621 341 S HA 0.975 5.435 4.470 -0.016 0.000 0.302 341 S C -0.724 173.920 174.600 0.073 0.000 1.093 341 S CA -0.732 57.502 58.200 0.056 0.000 1.017 341 S CB 1.836 65.069 63.200 0.056 0.000 1.077 341 S HN 0.546 nan 8.310 nan 0.000 0.517 342 A N 1.141 124.004 122.820 0.072 0.000 2.574 342 A HA 0.694 5.004 4.320 -0.016 0.000 0.297 342 A C -1.726 175.901 177.584 0.071 0.000 1.062 342 A CA -0.636 51.449 52.037 0.080 0.000 0.686 342 A CB 0.795 19.813 19.000 0.029 0.000 1.285 342 A HN 0.656 nan 8.150 nan 0.000 0.403 343 F N 2.146 122.092 119.950 -0.005 0.000 2.390 343 F HA 0.570 5.087 4.527 -0.018 0.000 0.361 343 F C -0.105 175.563 175.800 -0.219 0.000 1.124 343 F CA -0.053 57.939 58.000 -0.013 0.000 1.149 343 F CB 0.873 39.928 39.000 0.090 0.000 1.160 343 F HN 0.501 nan 8.300 nan 0.000 0.501 344 D N 5.893 125.865 120.400 -0.713 0.000 2.823 344 D HA 0.184 4.814 4.640 -0.016 0.000 0.255 344 D C -1.562 174.227 176.300 -0.851 0.000 1.257 344 D CA -0.014 53.701 54.000 -0.476 0.000 0.803 344 D CB -0.187 40.399 40.800 -0.358 0.000 1.384 344 D HN 0.383 nan 8.370 nan 0.000 0.541 348 V N 4.735 124.761 119.914 0.188 0.000 2.347 348 V HA 0.466 4.576 4.120 -0.016 0.000 0.280 348 V C -1.724 174.482 176.094 0.188 0.000 1.021 348 V CA -1.124 61.315 62.300 0.231 0.000 0.847 348 V CB 1.256 33.242 31.823 0.271 0.000 0.990 348 V HN 0.519 nan 8.190 nan 0.000 0.444 349 P HA 0.419 nan 4.420 nan 0.000 0.278 349 P C -0.720 176.719 177.300 0.231 0.000 1.258 349 P CA -0.327 62.823 63.100 0.083 0.000 0.811 349 P CB 1.528 33.192 31.700 -0.061 0.000 1.063 350 S N -0.518 115.298 115.700 0.192 0.000 2.541 350 S HA 0.671 5.131 4.470 -0.016 0.000 0.280 350 S C -0.825 173.937 174.600 0.270 0.000 1.112 350 S CA -0.669 57.716 58.200 0.309 0.000 0.925 350 S CB 1.208 64.635 63.200 0.379 0.000 1.067 350 S HN 0.234 nan 8.310 nan 0.000 0.479 351 V N 1.865 121.937 119.914 0.263 0.000 2.841 351 V HA 0.640 4.751 4.120 -0.016 0.000 0.310 351 V C -0.876 175.345 176.094 0.210 0.000 1.090 351 V CA -0.747 61.630 62.300 0.129 0.000 0.930 351 V CB 2.095 33.790 31.823 -0.213 0.000 1.014 351 V HN 0.880 nan 8.190 nan 0.000 0.425 352 V N 3.826 123.859 119.914 0.198 0.000 2.409 352 V HA 0.339 4.449 4.120 -0.016 0.000 0.291 352 V C -0.525 175.643 176.094 0.123 0.000 1.020 352 V CA -0.443 62.000 62.300 0.238 0.000 0.848 352 V CB 1.398 33.358 31.823 0.228 0.000 0.990 352 V HN 0.859 nan 8.190 nan 0.000 0.430 353 Y N 2.209 122.588 120.300 0.131 0.000 2.496 353 Y HA 0.104 4.647 4.550 -0.012 0.000 0.313 353 Y C 1.806 177.766 175.900 0.100 0.000 1.184 353 Y CA -0.428 57.738 58.100 0.110 0.000 1.275 353 Y CB -0.720 37.798 38.460 0.097 0.000 1.103 353 Y HN 0.752 nan 8.280 nan 0.000 0.513 354 T N -2.783 111.891 114.554 0.199 0.000 2.667 354 T HA 0.288 4.628 4.350 -0.016 0.000 0.305 354 T C 0.374 175.138 174.700 0.108 0.000 1.022 354 T CA -0.743 61.438 62.100 0.136 0.000 0.995 354 T CB 1.024 69.956 68.868 0.106 0.000 1.026 354 T HN 0.075 nan 8.240 nan 0.000 0.527 355 S N 2.877 118.616 115.700 0.066 0.000 2.640 355 S HA 0.458 4.918 4.470 -0.016 0.000 0.320 355 S C -2.344 172.275 174.600 0.031 0.000 1.097 355 S CA -1.013 57.217 58.200 0.050 0.000 1.092 355 S CB 1.163 64.382 63.200 0.032 0.000 0.988 355 S HN 0.674 nan 8.310 nan 0.000 0.470 356 P HA 0.200 nan 4.420 nan 0.000 0.272 356 P C -0.463 176.891 177.300 0.089 0.000 1.240 356 P CA -0.395 62.747 63.100 0.071 0.000 0.791 356 P CB 0.804 32.548 31.700 0.074 0.000 0.978 357 E N -0.110 120.132 120.200 0.070 0.000 2.345 357 E HA 0.289 4.630 4.350 -0.016 0.000 0.259 357 E C -0.971 175.709 176.600 0.134 0.000 1.117 357 E CA -0.239 56.201 56.400 0.067 0.000 0.913 357 E CB 0.804 30.480 29.700 -0.039 0.000 1.057 357 E HN 0.475 nan 8.360 nan 0.000 0.432 358 W N 0.251 121.527 121.300 -0.040 0.000 2.883 358 W HA 0.577 5.234 4.660 -0.004 0.000 0.335 358 W C -1.637 174.866 176.519 -0.025 0.000 1.083 358 W CA -0.350 56.995 57.345 -0.001 0.000 1.233 358 W CB 1.500 30.979 29.460 0.032 0.000 1.412 358 W HN 0.523 nan 8.180 nan 0.000 0.490 359 A N 3.373 125.739 122.820 -0.756 0.000 2.549 359 A HA 0.917 5.228 4.320 -0.016 0.000 0.297 359 A C -0.905 175.995 177.584 -1.141 0.000 1.061 359 A CA -0.355 51.283 52.037 -0.666 0.000 0.690 359 A CB 1.419 20.197 19.000 -0.370 0.000 1.287 359 A HN 1.273 nan 8.150 nan 0.000 0.402 360 G N -0.888 107.473 108.800 -0.731 0.000 2.718 360 G HA2 0.730 4.680 3.960 -0.016 0.000 0.295 360 G HA3 0.730 4.680 3.960 -0.016 0.000 0.295 360 G C -1.868 172.816 174.900 -0.361 0.000 1.421 360 G CA -0.138 44.569 45.100 -0.655 0.000 0.902 360 G HN 1.907 nan 8.290 nan 0.000 0.501 361 V N 0.417 119.999 119.914 -0.553 0.000 3.000 361 V HA 0.864 4.974 4.120 -0.016 0.000 0.300 361 V C 0.553 176.465 176.094 -0.303 0.000 1.251 361 V CA 1.388 63.526 62.300 -0.271 0.000 0.972 361 V CB 1.523 33.222 31.823 -0.207 0.000 1.065 361 V HN 2.837 nan 8.190 nan 0.000 0.431 362 G N 4.413 113.157 108.800 -0.094 0.000 2.568 362 G HA2 -0.109 3.841 3.960 -0.016 0.000 0.222 362 G HA3 -0.109 3.841 3.960 -0.016 0.000 0.222 362 G C -0.925 174.029 174.900 0.090 0.000 1.321 362 G CA -0.204 44.870 45.100 -0.044 0.000 0.893 362 G HN 1.308 nan 8.290 nan 0.000 0.569 363 L N 1.491 122.779 121.223 0.109 0.000 2.334 363 L HA 0.566 4.896 4.340 -0.016 0.000 0.277 363 L C 1.599 178.685 176.870 0.359 0.000 1.075 363 L CA -0.291 54.670 54.840 0.202 0.000 0.804 363 L CB 1.431 43.553 42.059 0.104 0.000 1.174 363 L HN 1.025 nan 8.230 nan 0.000 0.438 364 T N -2.060 112.672 114.554 0.298 0.000 2.754 364 T HA 0.139 4.479 4.350 -0.016 0.000 0.286 364 T C 0.925 175.684 174.700 0.099 0.000 0.997 364 T CA -0.598 61.569 62.100 0.111 0.000 0.982 364 T CB 1.035 69.865 68.868 -0.062 0.000 1.027 364 T HN 0.659 nan 8.240 nan 0.000 0.529 365 E N 0.337 120.559 120.200 0.036 0.000 2.058 365 E HA -0.174 4.166 4.350 -0.016 0.000 0.194 365 E C 2.233 178.872 176.600 0.064 0.000 0.997 365 E CA 1.244 57.680 56.400 0.061 0.000 0.801 365 E CB -0.042 29.679 29.700 0.036 0.000 0.746 365 E HN 0.620 nan 8.360 nan 0.000 0.450 366 E N 0.949 121.173 120.200 0.039 0.000 2.110 366 E HA -0.185 4.155 4.350 -0.016 0.000 0.193 366 E C 1.916 178.558 176.600 0.069 0.000 0.988 366 E CA 1.032 57.460 56.400 0.046 0.000 0.804 366 E CB -0.141 29.575 29.700 0.026 0.000 0.745 366 E HN 0.414 nan 8.360 nan 0.000 0.458 367 E N 0.646 120.895 120.200 0.081 0.000 2.107 367 E HA -0.070 4.270 4.350 -0.016 0.000 0.191 367 E C 2.038 178.724 176.600 0.143 0.000 0.982 367 E CA 0.840 57.303 56.400 0.104 0.000 0.809 367 E CB -0.068 29.700 29.700 0.113 0.000 0.756 367 E HN 0.185 nan 8.360 nan 0.000 0.459 368 A N 1.805 124.716 122.820 0.152 0.000 1.898 368 A HA -0.210 4.100 4.320 -0.016 0.000 0.216 368 A C 1.955 179.702 177.584 0.272 0.000 1.181 368 A CA 1.431 53.601 52.037 0.222 0.000 0.620 368 A CB -0.233 18.836 19.000 0.116 0.000 0.819 368 A HN 0.032 nan 8.150 nan 0.000 0.442 369 K N -0.736 119.764 120.400 0.167 0.000 2.025 369 K HA -0.111 4.200 4.320 -0.016 0.000 0.207 369 K C 2.347 179.008 176.600 0.102 0.000 1.049 369 K CA 1.379 57.744 56.287 0.129 0.000 0.933 369 K CB -0.196 32.357 32.500 0.087 0.000 0.714 369 K HN 0.416 nan 8.250 nan 0.000 0.438 370 R N 0.819 121.375 120.500 0.092 0.000 2.127 370 R HA -0.104 4.226 4.340 -0.016 0.000 0.238 370 R C 1.912 178.248 176.300 0.061 0.000 1.134 370 R CA 1.393 57.533 56.100 0.066 0.000 0.975 370 R CB -0.149 30.189 30.300 0.063 0.000 0.865 370 R HN 0.206 nan 8.270 nan 0.000 0.447 371 A N -0.605 122.277 122.820 0.103 0.000 2.167 371 A HA 0.144 4.454 4.320 -0.016 0.000 0.214 371 A C 1.421 178.948 177.584 -0.094 0.000 1.151 371 A CA 1.035 53.108 52.037 0.061 0.000 0.735 371 A CB -0.088 19.046 19.000 0.223 0.000 0.802 371 A HN 0.584 nan 8.150 nan 0.000 0.467 372 G N -2.873 105.900 108.800 -0.045 0.000 2.179 372 G HA2 -0.243 3.707 3.960 -0.016 0.000 0.220 372 G HA3 -0.243 3.707 3.960 -0.016 0.000 0.220 372 G C 0.022 174.845 174.900 -0.129 0.000 0.990 372 G CA 0.075 45.108 45.100 -0.111 0.000 0.646 372 G HN 0.419 nan 8.290 nan 0.000 0.517 373 Y N 0.518 120.844 120.300 0.043 0.000 2.314 373 Y HA 0.506 5.048 4.550 -0.014 0.000 0.334 373 Y C 1.096 177.029 175.900 0.054 0.000 1.266 373 Y CA 0.503 58.633 58.100 0.051 0.000 1.391 373 Y CB 0.700 39.197 38.460 0.062 0.000 1.306 373 Y HN 0.279 nan 8.280 nan 0.000 0.558 374 K N 2.272 122.815 120.400 0.238 0.000 2.184 374 K HA 0.483 4.793 4.320 -0.016 0.000 0.259 374 K C -0.659 176.040 176.600 0.165 0.000 1.119 374 K CA -0.434 55.945 56.287 0.153 0.000 0.991 374 K CB -0.830 31.741 32.500 0.118 0.000 1.522 374 K HN 0.566 nan 8.250 nan 0.000 0.405 375 V N 2.378 122.384 119.914 0.154 0.000 2.673 375 V HA 0.219 4.329 4.120 -0.016 0.000 0.303 375 V C 0.482 176.639 176.094 0.104 0.000 1.046 375 V CA 0.103 62.487 62.300 0.140 0.000 1.126 375 V CB 0.740 32.636 31.823 0.121 0.000 0.934 375 V HN 0.859 nan 8.190 nan 0.000 0.487 376 K N 3.524 124.010 120.400 0.144 0.000 2.527 376 K HA 0.754 5.064 4.320 -0.016 0.000 0.260 376 K C -1.375 175.338 176.600 0.189 0.000 0.937 376 K CA -0.669 55.639 56.287 0.036 0.000 0.826 376 K CB 2.459 34.834 32.500 -0.209 0.000 1.359 376 K HN 0.580 nan 8.250 nan 0.000 0.434 377 V N -1.004 118.961 119.914 0.084 0.000 3.001 377 V HA 0.958 5.068 4.120 -0.016 0.000 0.314 377 V C -0.466 175.741 176.094 0.188 0.000 1.099 377 V CA -0.563 61.863 62.300 0.210 0.000 0.989 377 V CB 1.761 33.663 31.823 0.131 0.000 1.040 377 V HN 0.817 nan 8.190 nan 0.000 0.434 378 G N 1.578 110.531 108.800 0.254 0.000 2.617 378 G HA2 0.722 4.672 3.960 -0.016 0.000 0.306 378 G HA3 0.722 4.672 3.960 -0.016 0.000 0.306 378 G C -1.230 173.755 174.900 0.140 0.000 1.360 378 G CA -0.940 44.276 45.100 0.192 0.000 0.983 378 G HN 0.841 nan 8.290 nan 0.000 0.496 379 K N 0.622 121.098 120.400 0.128 0.000 2.375 379 K HA 0.595 4.905 4.320 -0.016 0.000 0.249 379 K C -1.991 174.725 176.600 0.194 0.000 0.942 379 K CA -0.816 55.548 56.287 0.129 0.000 0.806 379 K CB 3.025 35.574 32.500 0.081 0.000 1.227 379 K HN 0.363 nan 8.250 nan 0.000 0.430 380 F N 4.154 124.117 119.950 0.021 0.000 2.617 380 F HA 0.342 4.856 4.527 -0.023 0.000 0.325 380 F C -2.616 173.198 175.800 0.023 0.000 1.179 380 F CA -2.120 55.893 58.000 0.022 0.000 0.965 380 F CB 1.701 40.708 39.000 0.011 0.000 1.232 380 F HN 0.296 nan 8.300 nan 0.000 0.461 381 P HA 0.217 nan 4.420 nan 0.000 0.284 381 P C 0.517 177.536 177.300 -0.468 0.000 1.253 381 P CA -0.261 62.615 63.100 -0.374 0.000 0.800 381 P CB 1.944 33.470 31.700 -0.289 0.000 0.961 382 L N 2.229 123.350 121.223 -0.170 0.000 2.456 382 L HA -0.114 4.216 4.340 -0.016 0.000 0.224 382 L C 2.410 179.226 176.870 -0.090 0.000 1.148 382 L CA 1.061 55.861 54.840 -0.067 0.000 0.825 382 L CB -0.682 41.385 42.059 0.013 0.000 0.937 382 L HN 0.419 nan 8.230 nan 0.000 0.450 383 A N 0.145 122.884 122.820 -0.135 0.000 2.070 383 A HA -0.049 4.261 4.320 -0.016 0.000 0.220 383 A C 2.188 179.704 177.584 -0.113 0.000 1.159 383 A CA 1.525 53.505 52.037 -0.096 0.000 0.656 383 A CB -0.306 18.640 19.000 -0.091 0.000 0.800 383 A HN 0.381 nan 8.150 nan 0.000 0.453 384 A N -0.887 121.801 122.820 -0.221 0.000 2.387 384 A HA 0.438 4.748 4.320 -0.016 0.000 0.234 384 A C 1.024 178.631 177.584 0.039 0.000 1.253 384 A CA 0.569 52.514 52.037 -0.155 0.000 0.894 384 A CB -0.283 18.526 19.000 -0.317 0.000 0.963 384 A HN 0.376 nan 8.150 nan 0.000 0.508 385 S N -0.314 115.425 115.700 0.065 0.000 2.452 385 S HA 0.452 4.912 4.470 -0.016 0.000 0.284 385 S C 1.434 176.069 174.600 0.058 0.000 1.171 385 S CA 0.040 58.342 58.200 0.171 0.000 1.064 385 S CB 1.008 64.326 63.200 0.198 0.000 0.967 385 S HN 0.459 nan 8.310 nan 0.000 0.484 386 G N 4.721 113.538 108.800 0.029 0.000 2.418 386 G HA2 -0.195 3.755 3.960 -0.016 0.000 0.217 386 G HA3 -0.195 3.755 3.960 -0.016 0.000 0.217 386 G C 1.492 176.375 174.900 -0.028 0.000 1.158 386 G CA 0.603 45.696 45.100 -0.012 0.000 0.771 386 G HN 0.659 nan 8.290 nan 0.000 0.545 387 R N 1.323 121.796 120.500 -0.044 0.000 2.083 387 R HA 0.055 4.385 4.340 -0.016 0.000 0.237 387 R C 2.760 179.058 176.300 -0.004 0.000 1.137 387 R CA 1.883 57.955 56.100 -0.046 0.000 0.951 387 R CB -1.060 29.209 30.300 -0.051 0.000 0.851 387 R HN 0.236 nan 8.270 nan 0.000 0.434 388 A N 0.302 123.135 122.820 0.023 0.000 1.940 388 A HA -0.152 4.158 4.320 -0.016 0.000 0.219 388 A C 2.092 179.700 177.584 0.040 0.000 1.176 388 A CA 1.605 53.664 52.037 0.037 0.000 0.631 388 A CB -0.680 18.347 19.000 0.046 0.000 0.814 388 A HN 0.361 nan 8.150 nan 0.000 0.446 389 L N 0.319 121.559 121.223 0.028 0.000 2.093 389 L HA -0.092 4.239 4.340 -0.016 0.000 0.208 389 L C 2.750 179.642 176.870 0.036 0.000 1.085 389 L CA 2.607 57.467 54.840 0.033 0.000 0.755 389 L CB -0.767 41.303 42.059 0.018 0.000 0.904 389 L HN 0.584 nan 8.230 nan 0.000 0.435 390 T N -3.508 111.053 114.554 0.011 0.000 3.051 390 T HA -0.104 4.236 4.350 -0.016 0.000 0.269 390 T C 1.579 176.286 174.700 0.011 0.000 1.127 390 T CA 0.897 62.994 62.100 -0.006 0.000 1.107 390 T CB -0.491 68.356 68.868 -0.035 0.000 0.898 390 T HN 0.341 nan 8.240 nan 0.000 0.517 391 L N 0.538 121.789 121.223 0.046 0.000 2.611 391 L HA 0.419 4.749 4.340 -0.016 0.000 0.229 391 L C 1.832 178.827 176.870 0.209 0.000 1.137 391 L CA 0.279 55.169 54.840 0.083 0.000 0.901 391 L CB -0.298 41.789 42.059 0.046 0.000 1.098 391 L HN 0.578 nan 8.230 nan 0.000 0.456 392 G N -0.103 108.816 108.800 0.199 0.000 2.141 392 G HA2 -0.076 3.875 3.960 -0.016 0.000 0.231 392 G HA3 -0.076 3.875 3.960 -0.016 0.000 0.231 392 G C 0.393 175.400 174.900 0.179 0.000 0.984 392 G CA -0.259 44.996 45.100 0.258 0.000 0.660 392 G HN 0.750 nan 8.290 nan 0.000 0.525 393 G N -1.605 107.274 108.800 0.130 0.000 2.249 393 G HA2 0.624 4.574 3.960 -0.016 0.000 0.252 393 G HA3 0.624 4.574 3.960 -0.016 0.000 0.252 393 G C -0.489 174.459 174.900 0.081 0.000 1.697 393 G CA 0.726 45.884 45.100 0.097 0.000 0.916 393 G HN 2.013 nan 8.290 nan 0.000 0.725 394 A N 0.834 123.686 122.820 0.053 0.000 2.322 394 A HA 0.915 5.225 4.320 -0.016 0.000 0.327 394 A C 0.284 177.888 177.584 0.032 0.000 1.394 394 A CA 0.681 52.742 52.037 0.039 0.000 0.921 394 A CB 0.467 19.478 19.000 0.019 0.000 1.153 394 A HN 2.067 nan 8.150 nan 0.000 0.523 395 E N 1.372 121.598 120.200 0.044 0.000 2.235 395 E HA 0.661 5.001 4.350 -0.016 0.000 0.252 395 E C 0.086 176.711 176.600 0.042 0.000 0.886 395 E CA -0.142 56.283 56.400 0.042 0.000 0.767 395 E CB 1.000 30.735 29.700 0.058 0.000 1.205 395 E HN 2.458 nan 8.360 nan 0.000 0.421 396 G N 0.377 109.194 108.800 0.030 0.000 2.362 396 G HA2 0.574 4.525 3.960 -0.016 0.000 0.288 396 G HA3 0.574 4.525 3.960 -0.016 0.000 0.288 396 G C -0.429 174.483 174.900 0.020 0.000 1.305 396 G CA 0.002 45.124 45.100 0.037 0.000 0.910 396 G HN 1.749 nan 8.290 nan 0.000 0.518 397 M N -2.152 117.468 119.600 0.034 0.000 2.790 397 M HA 0.760 5.230 4.480 -0.016 0.000 0.272 397 M C -1.890 174.443 176.300 0.055 0.000 1.168 397 M CA -1.073 54.250 55.300 0.037 0.000 0.829 397 M CB 1.861 34.477 32.600 0.027 0.000 1.675 397 M HN 0.869 nan 8.290 nan 0.000 0.505 398 V N 1.604 121.572 119.914 0.089 0.000 2.540 398 V HA 0.671 4.781 4.120 -0.016 0.000 0.302 398 V C -0.875 175.272 176.094 0.089 0.000 1.035 398 V CA -0.485 61.856 62.300 0.069 0.000 0.873 398 V CB 1.971 33.839 31.823 0.074 0.000 0.992 398 V HN 0.806 nan 8.190 nan 0.000 0.428 399 K N 4.035 124.486 120.400 0.084 0.000 2.426 399 K HA 0.749 5.059 4.320 -0.016 0.000 0.254 399 K C -1.201 175.462 176.600 0.105 0.000 0.936 399 K CA -0.532 55.827 56.287 0.120 0.000 0.801 399 K CB 2.130 34.729 32.500 0.165 0.000 1.139 399 K HN 0.603 nan 8.250 nan 0.000 0.424 400 V N 1.044 121.007 119.914 0.082 0.000 2.513 400 V HA 0.621 4.731 4.120 -0.016 0.000 0.299 400 V C -0.609 175.538 176.094 0.088 0.000 1.035 400 V CA -0.819 61.493 62.300 0.019 0.000 0.889 400 V CB 1.555 33.329 31.823 -0.081 0.000 0.988 400 V HN 0.403 nan 8.190 nan 0.000 0.440 401 V N 4.384 124.335 119.914 0.062 0.000 2.417 401 V HA 0.950 5.060 4.120 -0.016 0.000 0.291 401 V C 0.773 176.866 176.094 -0.001 0.000 1.024 401 V CA 0.599 62.963 62.300 0.106 0.000 0.861 401 V CB 1.029 32.945 31.823 0.154 0.000 0.985 401 V HN 1.369 nan 8.190 nan 0.000 0.436 402 G N 2.394 111.258 108.800 0.107 0.000 2.708 402 G HA2 0.454 4.404 3.960 -0.016 0.000 0.289 402 G HA3 0.454 4.404 3.960 -0.016 0.000 0.289 402 G C -1.856 173.159 174.900 0.193 0.000 1.416 402 G CA -0.445 44.651 45.100 -0.008 0.000 0.829 402 G HN 0.529 nan 8.290 nan 0.000 0.480 403 D N 0.021 120.499 120.400 0.130 0.000 2.274 403 D HA 0.126 4.756 4.640 -0.016 0.000 0.239 403 D C 1.348 177.841 176.300 0.322 0.000 1.104 403 D CA -0.271 53.860 54.000 0.218 0.000 0.840 403 D CB 1.638 42.567 40.800 0.215 0.000 1.100 403 D HN 0.617 nan 8.370 nan 0.000 0.477 404 E N 2.670 123.041 120.200 0.285 0.000 2.204 404 E HA -0.169 4.171 4.350 -0.016 0.000 0.194 404 E C 0.784 177.493 176.600 0.181 0.000 0.989 404 E CA 0.943 57.483 56.400 0.233 0.000 0.824 404 E CB 0.101 29.838 29.700 0.062 0.000 0.756 404 E HN 0.547 nan 8.360 nan 0.000 0.477 405 E N 0.660 120.952 120.200 0.154 0.000 2.076 405 E HA -0.090 4.250 4.350 -0.016 0.000 0.190 405 E C 2.061 178.731 176.600 0.117 0.000 0.979 405 E CA 1.692 58.161 56.400 0.115 0.000 0.807 405 E CB 0.114 29.872 29.700 0.097 0.000 0.761 405 E HN 0.467 nan 8.360 nan 0.000 0.454 406 T N -2.431 112.205 114.554 0.137 0.000 3.022 406 T HA 0.063 4.403 4.350 -0.016 0.000 0.250 406 T C 0.584 175.350 174.700 0.110 0.000 1.060 406 T CA 0.585 62.753 62.100 0.113 0.000 1.013 406 T CB 0.305 69.243 68.868 0.116 0.000 0.982 406 T HN 0.048 nan 8.240 nan 0.000 0.508 407 D N -0.745 119.747 120.400 0.154 0.000 3.077 407 D HA -0.137 4.493 4.640 -0.016 0.000 0.212 407 D C -0.316 175.984 176.300 0.001 0.000 1.125 407 D CA 0.441 54.527 54.000 0.144 0.000 0.970 407 D CB -1.766 39.128 40.800 0.158 0.000 1.110 407 D HN 0.520 nan 8.370 nan 0.000 0.419 408 L N 0.735 121.961 121.223 0.006 0.000 2.455 408 L HA 0.372 4.702 4.340 -0.016 0.000 0.272 408 L C -0.100 176.676 176.870 -0.156 0.000 1.174 408 L CA -0.202 54.604 54.840 -0.057 0.000 0.869 408 L CB 0.567 42.618 42.059 -0.013 0.000 1.130 408 L HN 0.225 nan 8.230 nan 0.000 0.474 409 L N 5.653 126.768 121.223 -0.180 0.000 2.367 409 L HA 0.200 4.530 4.340 -0.016 0.000 0.275 409 L C 0.330 177.078 176.870 -0.204 0.000 1.129 409 L CA 0.660 55.366 54.840 -0.224 0.000 0.839 409 L CB 0.534 42.474 42.059 -0.198 0.000 1.133 409 L HN 0.785 nan 8.230 nan 0.000 0.453 410 L N 4.323 125.419 121.223 -0.213 0.000 2.500 410 L HA 0.524 4.854 4.340 -0.016 0.000 0.219 410 L C 0.896 177.686 176.870 -0.133 0.000 1.057 410 L CA 0.320 55.028 54.840 -0.222 0.000 0.854 410 L CB 0.052 41.925 42.059 -0.310 0.000 1.078 410 L HN 0.788 nan 8.230 nan 0.000 0.480 411 G N -0.503 108.228 108.800 -0.115 0.000 2.632 411 G HA2 0.548 4.498 3.960 -0.016 0.000 0.292 411 G HA3 0.548 4.498 3.960 -0.016 0.000 0.292 411 G C -2.007 172.737 174.900 -0.261 0.000 1.465 411 G CA -0.327 44.676 45.100 -0.162 0.000 0.824 411 G HN -0.283 nan 8.290 nan 0.000 0.509 412 V N 0.262 119.813 119.914 -0.605 0.000 2.760 412 V HA 0.726 4.837 4.120 -0.016 0.000 0.309 412 V C -1.360 174.123 176.094 -1.020 0.000 1.077 412 V CA -0.688 61.291 62.300 -0.535 0.000 0.910 412 V CB 1.672 33.283 31.823 -0.353 0.000 1.008 412 V HN 0.641 nan 8.190 nan 0.000 0.424 413 F N 4.399 124.245 119.950 -0.173 0.000 2.547 413 F HA 0.747 5.266 4.527 -0.012 0.000 0.316 413 F C -0.181 175.438 175.800 -0.301 0.000 1.121 413 F CA -0.582 57.235 58.000 -0.304 0.000 0.911 413 F CB 1.870 40.772 39.000 -0.164 0.000 1.179 413 F HN 0.204 nan 8.300 nan 0.000 0.443 414 I N 3.363 123.718 120.570 -0.358 0.000 2.582 414 I HA 0.620 4.780 4.170 -0.016 0.000 0.292 414 I C -1.379 174.572 176.117 -0.277 0.000 1.066 414 I CA -1.196 59.956 61.300 -0.247 0.000 1.053 414 I CB 2.416 40.283 38.000 -0.223 0.000 1.241 414 I HN 0.336 nan 8.210 nan 0.000 0.421 415 V N 5.104 124.971 119.914 -0.079 0.000 2.569 415 V HA 0.997 5.108 4.120 -0.016 0.000 0.301 415 V C -0.284 175.831 176.094 0.034 0.000 1.044 415 V CA 0.395 62.711 62.300 0.027 0.000 0.874 415 V CB 1.235 33.151 31.823 0.156 0.000 1.002 415 V HN 1.061 nan 8.190 nan 0.000 0.424 416 G N 6.561 115.383 108.800 0.037 0.000 2.359 416 G HA2 0.270 4.220 3.960 -0.016 0.000 0.293 416 G HA3 0.270 4.220 3.960 -0.016 0.000 0.293 416 G C -3.498 171.417 174.900 0.025 0.000 1.300 416 G CA -0.315 44.807 45.100 0.037 0.000 0.888 416 G HN 0.663 nan 8.290 nan 0.000 0.541 417 P HA 0.194 nan 4.420 nan 0.000 0.268 417 P C -0.217 177.084 177.300 0.002 0.000 1.205 417 P CA 0.692 63.806 63.100 0.022 0.000 0.771 417 P CB 1.066 32.782 31.700 0.026 0.000 0.858 418 Q N 0.056 119.852 119.800 -0.005 0.000 2.452 418 Q HA -0.276 4.054 4.340 -0.016 0.000 0.248 418 Q C 1.364 177.328 176.000 -0.060 0.000 0.874 418 Q CA 1.357 57.146 55.803 -0.024 0.000 1.208 418 Q CB -2.754 25.977 28.738 -0.012 0.000 1.569 418 Q HN 0.710 nan 8.270 nan 0.000 0.579 419 A N 0.130 122.903 122.820 -0.078 0.000 1.917 419 A HA -0.066 4.244 4.320 -0.016 0.000 0.219 419 A C 2.206 179.690 177.584 -0.166 0.000 1.182 419 A CA 2.237 54.201 52.037 -0.122 0.000 0.633 419 A CB -0.866 18.053 19.000 -0.135 0.000 0.819 419 A HN 0.621 nan 8.150 nan 0.000 0.448 420 G N -0.858 107.822 108.800 -0.200 0.000 2.448 420 G HA2 -0.146 3.804 3.960 -0.016 0.000 0.219 420 G HA3 -0.146 3.804 3.960 -0.016 0.000 0.219 420 G C 1.370 176.180 174.900 -0.151 0.000 1.127 420 G CA 0.957 45.914 45.100 -0.239 0.000 0.766 420 G HN 0.536 nan 8.290 nan 0.000 0.552 421 E N 0.334 120.472 120.200 -0.102 0.000 2.122 421 E HA 0.073 4.413 4.350 -0.016 0.000 0.190 421 E C 2.654 179.208 176.600 -0.076 0.000 0.977 421 E CA 0.169 56.528 56.400 -0.068 0.000 0.820 421 E CB -0.200 29.477 29.700 -0.037 0.000 0.770 421 E HN 0.440 nan 8.360 nan 0.000 0.462 422 L N 0.425 121.599 121.223 -0.082 0.000 2.217 422 L HA -0.067 4.264 4.340 -0.016 0.000 0.211 422 L C 2.393 179.199 176.870 -0.106 0.000 1.107 422 L CA 0.267 55.061 54.840 -0.077 0.000 0.783 422 L CB -0.295 41.723 42.059 -0.068 0.000 0.919 422 L HN 0.056 nan 8.230 nan 0.000 0.442 423 I N 0.536 121.020 120.570 -0.144 0.000 2.614 423 I HA -0.174 3.986 4.170 -0.016 0.000 0.258 423 I C 2.502 178.531 176.117 -0.146 0.000 1.189 423 I CA 0.905 62.100 61.300 -0.176 0.000 1.462 423 I CB -0.220 37.647 38.000 -0.221 0.000 1.092 423 I HN 0.116 nan 8.210 nan 0.000 0.442 424 A N -0.415 122.332 122.820 -0.121 0.000 1.972 424 A HA -0.249 4.061 4.320 -0.016 0.000 0.219 424 A C 2.353 179.883 177.584 -0.091 0.000 1.169 424 A CA 1.767 53.741 52.037 -0.105 0.000 0.635 424 A CB -0.680 18.265 19.000 -0.091 0.000 0.810 424 A HN 0.567 nan 8.150 nan 0.000 0.446 425 E N -0.019 120.132 120.200 -0.082 0.000 2.077 425 E HA -0.137 4.203 4.350 -0.016 0.000 0.193 425 E C 2.121 178.676 176.600 -0.077 0.000 0.989 425 E CA 1.013 57.372 56.400 -0.067 0.000 0.800 425 E CB -0.236 29.441 29.700 -0.038 0.000 0.746 425 E HN 0.541 nan 8.360 nan 0.000 0.452 426 A N 1.213 123.972 122.820 -0.102 0.000 1.898 426 A HA -0.074 4.236 4.320 -0.016 0.000 0.216 426 A C 2.389 179.902 177.584 -0.119 0.000 1.181 426 A CA 1.718 53.678 52.037 -0.127 0.000 0.620 426 A CB -0.712 18.178 19.000 -0.183 0.000 0.819 426 A HN 0.411 nan 8.150 nan 0.000 0.442 427 A N -0.346 122.407 122.820 -0.111 0.000 1.877 427 A HA -0.056 4.254 4.320 -0.016 0.000 0.216 427 A C 2.146 179.691 177.584 -0.065 0.000 1.186 427 A CA 1.773 53.759 52.037 -0.085 0.000 0.620 427 A CB -0.666 18.286 19.000 -0.080 0.000 0.822 427 A HN 0.773 nan 8.150 nan 0.000 0.443 428 L N -0.210 120.973 121.223 -0.067 0.000 2.046 428 L HA -0.054 4.276 4.340 -0.016 0.000 0.208 428 L C 2.626 179.465 176.870 -0.052 0.000 1.077 428 L CA 2.206 57.013 54.840 -0.055 0.000 0.747 428 L CB -0.824 41.200 42.059 -0.058 0.000 0.896 428 L HN 0.344 nan 8.230 nan 0.000 0.432 429 A N -0.248 122.535 122.820 -0.063 0.000 1.883 429 A HA -0.205 4.106 4.320 -0.016 0.000 0.217 429 A C 2.270 179.817 177.584 -0.062 0.000 1.186 429 A CA 2.211 54.210 52.037 -0.064 0.000 0.624 429 A CB -1.018 17.936 19.000 -0.077 0.000 0.822 429 A HN 0.522 nan 8.150 nan 0.000 0.444 430 L N -0.655 120.526 121.223 -0.069 0.000 2.046 430 L HA -0.170 4.160 4.340 -0.016 0.000 0.208 430 L C 2.564 179.414 176.870 -0.033 0.000 1.077 430 L CA 1.273 56.078 54.840 -0.059 0.000 0.747 430 L CB -0.611 41.410 42.059 -0.064 0.000 0.896 430 L HN 0.358 nan 8.230 nan 0.000 0.432 431 E N -0.223 119.963 120.200 -0.023 0.000 2.204 431 E HA -0.148 4.192 4.350 -0.016 0.000 0.194 431 E C 1.974 178.568 176.600 -0.009 0.000 0.989 431 E CA 0.977 57.375 56.400 -0.003 0.000 0.824 431 E CB -0.029 29.678 29.700 0.011 0.000 0.756 431 E HN 0.439 nan 8.360 nan 0.000 0.477 432 M N -0.901 118.687 119.600 -0.021 0.000 2.495 432 M HA 0.160 4.630 4.480 -0.016 0.000 0.237 432 M C 0.906 177.194 176.300 -0.021 0.000 1.131 432 M CA 0.396 55.684 55.300 -0.020 0.000 1.032 432 M CB -0.126 32.458 32.600 -0.026 0.000 1.513 432 M HN 0.127 nan 8.290 nan 0.000 0.488 433 G N 1.645 110.431 108.800 -0.024 0.000 2.221 433 G HA2 -0.177 3.773 3.960 -0.016 0.000 0.265 433 G HA3 -0.177 3.773 3.960 -0.016 0.000 0.265 433 G C 0.359 175.241 174.900 -0.030 0.000 1.041 433 G CA 0.283 45.370 45.100 -0.022 0.000 0.807 433 G HN 0.777 nan 8.290 nan 0.000 0.502 434 A N -0.085 122.709 122.820 -0.043 0.000 2.445 434 A HA 0.722 5.032 4.320 -0.016 0.000 0.242 434 A C 1.103 178.648 177.584 -0.066 0.000 1.075 434 A CA 1.161 53.168 52.037 -0.050 0.000 0.777 434 A CB 0.295 19.260 19.000 -0.059 0.000 1.013 434 A HN 1.831 nan 8.150 nan 0.000 0.493 435 T N -0.354 114.166 114.554 -0.057 0.000 2.923 435 T HA 0.473 4.814 4.350 -0.016 0.000 0.281 435 T C 1.045 175.676 174.700 -0.115 0.000 0.995 435 T CA -0.885 61.173 62.100 -0.070 0.000 0.985 435 T CB 0.533 69.393 68.868 -0.013 0.000 1.114 435 T HN 0.287 nan 8.240 nan 0.000 0.548 436 L N 0.502 121.607 121.223 -0.198 0.000 2.131 436 L HA -0.045 4.285 4.340 -0.016 0.000 0.210 436 L C 2.764 179.594 176.870 -0.067 0.000 1.092 436 L CA 1.719 56.363 54.840 -0.326 0.000 0.759 436 L CB -1.943 39.614 42.059 -0.836 0.000 0.903 436 L HN 0.871 nan 8.230 nan 0.000 0.435 437 T N -0.765 113.868 114.554 0.132 0.000 2.821 437 T HA -0.143 4.197 4.350 -0.016 0.000 0.267 437 T C 1.484 176.219 174.700 0.057 0.000 1.046 437 T CA 1.139 63.346 62.100 0.178 0.000 1.139 437 T CB -0.058 68.878 68.868 0.113 0.000 0.871 437 T HN 0.294 nan 8.240 nan 0.000 0.454 438 D N 0.969 121.377 120.400 0.014 0.000 2.117 438 D HA -0.049 4.581 4.640 -0.016 0.000 0.197 438 D C 2.045 178.346 176.300 0.002 0.000 0.987 438 D CA 0.668 54.668 54.000 -0.001 0.000 0.829 438 D CB -0.314 40.475 40.800 -0.018 0.000 0.961 438 D HN 0.196 nan 8.370 nan 0.000 0.460 439 L N 0.982 122.192 121.223 -0.021 0.000 2.056 439 L HA -0.027 4.303 4.340 -0.016 0.000 0.207 439 L C 2.137 179.021 176.870 0.024 0.000 1.078 439 L CA 1.623 56.459 54.840 -0.007 0.000 0.749 439 L CB -0.732 41.277 42.059 -0.083 0.000 0.901 439 L HN -0.056 nan 8.230 nan 0.000 0.433 440 A N -0.861 121.954 122.820 -0.009 0.000 1.969 440 A HA -0.092 4.219 4.320 -0.016 0.000 0.218 440 A C 2.210 179.814 177.584 0.033 0.000 1.169 440 A CA 1.545 53.579 52.037 -0.005 0.000 0.635 440 A CB -0.757 18.263 19.000 0.035 0.000 0.810 440 A HN 0.479 nan 8.150 nan 0.000 0.445 441 L N -0.060 121.188 121.223 0.042 0.000 2.376 441 L HA -0.035 4.295 4.340 -0.016 0.000 0.219 441 L C 0.502 177.397 176.870 0.041 0.000 1.133 441 L CA 0.292 55.152 54.840 0.034 0.000 0.816 441 L CB -0.595 41.477 42.059 0.021 0.000 0.933 441 L HN 0.176 nan 8.230 nan 0.000 0.449 442 T N 0.829 115.425 114.554 0.070 0.000 2.834 442 T HA 0.121 4.461 4.350 -0.016 0.000 0.298 442 T C 0.228 174.992 174.700 0.107 0.000 0.966 442 T CA -0.221 61.900 62.100 0.035 0.000 1.141 442 T CB 1.476 70.329 68.868 -0.025 0.000 0.905 442 T HN -0.205 nan 8.240 nan 0.000 0.535 443 V N 6.032 125.958 119.914 0.021 0.000 2.370 443 V HA 0.104 4.215 4.120 -0.016 0.000 0.257 443 V C 0.293 176.402 176.094 0.025 0.000 1.064 443 V CA -0.439 61.894 62.300 0.055 0.000 0.975 443 V CB -0.940 30.891 31.823 0.013 0.000 1.067 443 V HN 0.787 nan 8.190 nan 0.000 0.485 444 H N 6.075 125.132 119.070 -0.022 0.000 2.562 444 H HA 0.366 4.904 4.556 -0.030 0.000 0.352 444 H C -1.907 173.428 175.328 0.012 0.000 1.125 444 H CA -1.631 54.408 56.048 -0.016 0.000 1.379 444 H CB 0.389 30.134 29.762 -0.029 0.000 1.464 444 H HN 0.448 nan 8.280 nan 0.000 0.563 445 P HA 0.055 nan 4.420 nan 0.000 0.271 445 P C -0.720 176.656 177.300 0.128 0.000 1.218 445 P CA -0.014 63.137 63.100 0.085 0.000 0.780 445 P CB 0.883 32.603 31.700 0.033 0.000 0.901 446 H N 2.735 121.825 119.070 0.034 0.000 2.489 446 H HA 0.514 5.062 4.556 -0.012 0.000 0.343 446 H C -2.188 173.155 175.328 0.025 0.000 1.086 446 H CA -1.692 54.378 56.048 0.036 0.000 1.198 446 H CB 1.132 30.923 29.762 0.047 0.000 1.490 446 H HN 0.290 nan 8.280 nan 0.000 0.504 447 P HA 0.298 nan 4.420 nan 0.000 0.301 447 P C -1.311 175.860 177.300 -0.214 0.000 1.338 447 P CA -0.566 62.146 63.100 -0.647 0.000 0.834 447 P CB 1.721 33.010 31.700 -0.685 0.000 0.967 448 T N -1.093 113.399 114.554 -0.103 0.000 2.843 448 T HA 0.359 4.699 4.350 -0.016 0.000 0.302 448 T C 1.033 175.734 174.700 0.001 0.000 1.232 448 T CA -0.888 61.193 62.100 -0.032 0.000 1.009 448 T CB 0.866 69.737 68.868 0.003 0.000 1.254 448 T HN 0.101 nan 8.240 nan 0.000 0.504 449 L N 1.364 122.593 121.223 0.010 0.000 2.217 449 L HA -0.009 4.321 4.340 -0.016 0.000 0.211 449 L C 3.072 179.957 176.870 0.025 0.000 1.107 449 L CA 1.409 56.266 54.840 0.029 0.000 0.783 449 L CB -0.567 41.505 42.059 0.021 0.000 0.919 449 L HN 0.958 nan 8.230 nan 0.000 0.442 450 S N -0.317 115.401 115.700 0.030 0.000 2.419 450 S HA -0.247 4.213 4.470 -0.016 0.000 0.235 450 S C 1.672 176.278 174.600 0.011 0.000 1.019 450 S CA 1.303 59.538 58.200 0.058 0.000 0.982 450 S CB -0.396 62.877 63.200 0.121 0.000 0.789 450 S HN 0.490 nan 8.310 nan 0.000 0.490 451 E N 1.122 121.312 120.200 -0.017 0.000 2.219 451 E HA -0.107 4.233 4.350 -0.016 0.000 0.198 451 E C 2.105 178.510 176.600 -0.326 0.000 0.998 451 E CA 1.246 57.554 56.400 -0.154 0.000 0.818 451 E CB -0.305 29.378 29.700 -0.028 0.000 0.741 451 E HN 0.629 nan 8.360 nan 0.000 0.477 452 S N 0.757 116.339 115.700 -0.198 0.000 2.419 452 S HA -0.134 4.326 4.470 -0.016 0.000 0.235 452 S C 1.871 176.339 174.600 -0.219 0.000 1.019 452 S CA 0.661 58.744 58.200 -0.195 0.000 0.982 452 S CB -0.078 63.217 63.200 0.158 0.000 0.789 452 S HN 0.245 nan 8.310 nan 0.000 0.490 453 L N 0.634 121.721 121.223 -0.227 0.000 2.056 453 L HA -0.055 4.275 4.340 -0.016 0.000 0.207 453 L C 2.543 179.217 176.870 -0.327 0.000 1.078 453 L CA 1.212 55.922 54.840 -0.218 0.000 0.749 453 L CB -0.353 41.615 42.059 -0.152 0.000 0.901 453 L HN 0.403 nan 8.230 nan 0.000 0.433 454 M N -0.367 118.880 119.600 -0.589 0.000 2.086 454 M HA -0.242 4.228 4.480 -0.016 0.000 0.261 454 M C 2.035 178.121 176.300 -0.356 0.000 1.067 454 M CA 1.829 56.802 55.300 -0.546 0.000 1.116 454 M CB -0.090 32.039 32.600 -0.785 0.000 1.348 454 M HN 0.210 nan 8.290 nan 0.000 0.407 455 E N 0.070 119.998 120.200 -0.453 0.000 2.150 455 E HA -0.133 4.207 4.350 -0.016 0.000 0.193 455 E C 1.946 178.414 176.600 -0.220 0.000 0.985 455 E CA 1.101 57.224 56.400 -0.463 0.000 0.814 455 E CB -0.151 28.891 29.700 -1.096 0.000 0.752 455 E HN 0.653 nan 8.360 nan 0.000 0.466 456 A N 1.615 124.345 122.820 -0.150 0.000 1.969 456 A HA -0.036 4.274 4.320 -0.016 0.000 0.218 456 A C 2.391 179.963 177.584 -0.019 0.000 1.169 456 A CA 1.478 53.526 52.037 0.018 0.000 0.635 456 A CB -0.375 18.645 19.000 0.033 0.000 0.810 456 A HN 0.268 nan 8.150 nan 0.000 0.445 457 A N -0.394 122.358 122.820 -0.115 0.000 1.930 457 A HA -0.110 4.200 4.320 -0.016 0.000 0.217 457 A C 1.946 179.450 177.584 -0.132 0.000 1.175 457 A CA 1.471 53.401 52.037 -0.178 0.000 0.627 457 A CB -0.365 18.512 19.000 -0.205 0.000 0.815 457 A HN 0.470 nan 8.150 nan 0.000 0.443 458 E N -0.031 120.131 120.200 -0.063 0.000 2.106 458 E HA -0.131 4.209 4.350 -0.016 0.000 0.192 458 E C 2.308 178.949 176.600 0.068 0.000 0.984 458 E CA 1.142 57.554 56.400 0.020 0.000 0.806 458 E CB -0.411 29.274 29.700 -0.024 0.000 0.750 458 E HN 0.582 nan 8.360 nan 0.000 0.458 459 A N 0.824 123.683 122.820 0.066 0.000 1.969 459 A HA -0.158 4.152 4.320 -0.016 0.000 0.218 459 A C 1.988 179.632 177.584 0.099 0.000 1.169 459 A CA 0.910 53.006 52.037 0.098 0.000 0.635 459 A CB -0.743 18.337 19.000 0.133 0.000 0.810 459 A HN 0.292 nan 8.150 nan 0.000 0.445 460 F N 0.522 120.418 119.950 -0.090 0.000 2.171 460 F HA -0.187 4.331 4.527 -0.015 0.000 0.300 460 F C 1.879 177.644 175.800 -0.058 0.000 1.090 460 F CA 2.072 59.997 58.000 -0.125 0.000 1.293 460 F CB -0.331 38.513 39.000 -0.261 0.000 1.013 460 F HN 0.447 nan 8.300 nan 0.000 0.486 461 H N 0.426 119.631 119.070 0.224 0.000 2.524 461 H HA 0.133 4.680 4.556 -0.015 0.000 0.280 461 H C 0.189 175.533 175.328 0.027 0.000 1.018 461 H CA -0.123 55.993 56.048 0.113 0.000 1.165 461 H CB 0.115 29.968 29.762 0.152 0.000 1.411 461 H HN -0.074 nan 8.280 nan 0.000 0.569 462 K N 0.738 121.202 120.400 0.106 0.000 3.160 462 K HA -0.237 4.074 4.320 -0.016 0.000 0.280 462 K C 0.033 176.671 176.600 0.064 0.000 1.154 462 K CA 1.084 57.405 56.287 0.058 0.000 0.822 462 K CB -2.058 30.457 32.500 0.025 0.000 1.239 462 K HN 0.757 nan 8.250 nan 0.000 0.489 463 Q N -1.730 118.120 119.800 0.084 0.000 2.106 463 Q HA 0.535 4.866 4.340 -0.016 0.000 0.273 463 Q C 0.100 176.121 176.000 0.036 0.000 0.853 463 Q CA -0.011 55.825 55.803 0.055 0.000 1.118 463 Q CB 0.949 29.720 28.738 0.055 0.000 1.240 463 Q HN 0.250 nan 8.270 nan 0.000 0.445 464 A N 1.033 123.881 122.820 0.047 0.000 2.483 464 A HA 0.233 4.543 4.320 -0.016 0.000 0.238 464 A C 0.846 178.436 177.584 0.010 0.000 1.070 464 A CA -0.238 51.818 52.037 0.032 0.000 0.770 464 A CB 0.199 19.266 19.000 0.112 0.000 1.008 464 A HN 0.470 nan 8.150 nan 0.000 0.497 465 I N 0.724 121.251 120.570 -0.071 0.000 2.628 465 I HA -0.055 4.105 4.170 -0.016 0.000 0.255 465 I C 1.622 177.723 176.117 -0.026 0.000 1.119 465 I CA 1.506 62.735 61.300 -0.119 0.000 1.448 465 I CB -1.540 36.279 38.000 -0.301 0.000 1.133 465 I HN 0.850 nan 8.210 nan 0.000 0.438 466 H N 1.272 120.424 119.070 0.136 0.000 2.553 466 H HA 0.256 4.800 4.556 -0.019 0.000 0.269 466 H C 0.278 175.720 175.328 0.189 0.000 1.011 466 H CA -0.062 56.102 56.048 0.193 0.000 1.150 466 H CB 0.139 30.083 29.762 0.304 0.000 1.339 466 H HN 0.293 nan 8.280 nan 0.000 0.604 467 I N -2.828 117.896 120.570 0.258 0.000 2.913 467 I HA 0.295 4.455 4.170 -0.016 0.000 0.302 467 I C -1.058 175.119 176.117 0.101 0.000 1.246 467 I CA -1.358 60.032 61.300 0.149 0.000 1.010 467 I CB 2.262 40.336 38.000 0.124 0.000 1.259 467 I HN -0.177 nan 8.210 nan 0.000 0.434 468 L N 4.185 125.447 121.223 0.064 0.000 2.426 468 L HA 0.332 4.663 4.340 -0.016 0.000 0.271 468 L C 0.424 177.321 176.870 0.045 0.000 1.169 468 L CA -0.088 54.780 54.840 0.047 0.000 0.836 468 L CB 0.066 42.145 42.059 0.032 0.000 1.112 468 L HN 0.643 nan 8.230 nan 0.000 0.465 469 N N 0.000 118.724 118.700 0.039 0.000 1.763 469 N HA 0.000 4.730 4.740 -0.016 0.000 0.220 469 N CA 0.000 53.071 53.050 0.035 0.000 0.885 469 N CB 0.000 38.508 38.487 0.036 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667