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 3oeh_1_L DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.477 175.510 -0.056 0.000 1.280 26 N CA 0.000 53.032 53.050 -0.031 0.000 0.885 26 N CB 0.000 38.471 38.487 -0.026 0.000 1.341 27 L N 1.207 122.382 121.223 -0.079 0.000 2.737 27 L HA 0.363 4.703 4.340 -0.000 0.000 0.236 27 L C 0.889 177.674 176.870 -0.142 0.000 1.219 27 L CA -0.075 54.679 54.840 -0.143 0.000 1.021 27 L CB -0.176 41.745 42.059 -0.231 0.000 1.291 27 L HN 0.346 nan 8.230 nan 0.000 0.470 28 N N -0.273 118.370 118.700 -0.095 0.000 2.415 28 N HA -0.025 4.715 4.740 -0.000 0.000 0.174 28 N C 1.414 176.881 175.510 -0.073 0.000 1.048 28 N CA 0.634 53.635 53.050 -0.081 0.000 0.895 28 N CB 0.469 38.922 38.487 -0.058 0.000 1.036 28 N HN 0.170 nan 8.380 nan 0.000 0.449 29 E N -0.828 119.330 120.200 -0.069 0.000 2.508 29 E HA 0.152 4.502 4.350 -0.000 0.000 0.217 29 E C 0.173 176.729 176.600 -0.073 0.000 0.896 29 E CA 0.383 56.746 56.400 -0.061 0.000 1.118 29 E CB 0.715 30.388 29.700 -0.045 0.000 1.133 29 E HN 0.297 nan 8.360 nan 0.000 0.526 30 T N -1.652 112.853 114.554 -0.082 0.000 2.910 30 T HA 0.825 5.175 4.350 -0.000 0.000 0.287 30 T C 0.400 175.032 174.700 -0.114 0.000 1.050 30 T CA -0.662 61.383 62.100 -0.092 0.000 1.011 30 T CB 2.441 71.269 68.868 -0.066 0.000 1.195 30 T HN 0.029 nan 8.240 nan 0.000 0.540 31 G N -0.172 108.562 108.800 -0.110 0.000 2.682 31 G HA2 0.647 4.607 3.960 -0.000 0.000 0.290 31 G HA3 0.647 4.607 3.960 -0.000 0.000 0.290 31 G C -1.644 173.238 174.900 -0.030 0.000 1.425 31 G CA -1.065 43.976 45.100 -0.098 0.000 0.807 31 G HN 0.639 nan 8.290 nan 0.000 0.482 32 R N -0.323 120.213 120.500 0.059 0.000 2.637 32 R HA 0.527 4.867 4.340 -0.000 0.000 0.291 32 R C -0.661 175.708 176.300 0.116 0.000 0.963 32 R CA -0.871 55.286 56.100 0.095 0.000 0.901 32 R CB 1.978 32.362 30.300 0.140 0.000 1.160 32 R HN 0.306 nan 8.270 nan 0.000 0.457 33 V N 4.842 124.820 119.914 0.108 0.000 2.446 33 V HA 0.008 4.128 4.120 -0.000 0.000 0.276 33 V C 1.764 177.920 176.094 0.103 0.000 1.030 33 V CA 0.325 62.706 62.300 0.133 0.000 1.033 33 V CB 0.420 32.353 31.823 0.184 0.000 0.993 33 V HN 0.638 nan 8.190 nan 0.000 0.477 34 L N 4.731 126.012 121.223 0.097 0.000 2.068 34 L HA 0.290 4.630 4.340 -0.000 0.000 0.204 34 L C 1.009 177.903 176.870 0.040 0.000 1.076 34 L CA 1.388 56.262 54.840 0.057 0.000 0.753 34 L CB -0.038 42.052 42.059 0.052 0.000 0.910 34 L HN 0.750 nan 8.230 nan 0.000 0.439 35 A N -1.170 121.680 122.820 0.049 0.000 2.572 35 A HA 0.671 4.991 4.320 -0.000 0.000 0.295 35 A C -1.659 175.947 177.584 0.036 0.000 1.072 35 A CA -0.380 51.676 52.037 0.032 0.000 0.691 35 A CB 2.078 21.088 19.000 0.017 0.000 1.291 35 A HN -0.186 nan 8.150 nan 0.000 0.404 36 V N 0.421 120.346 119.914 0.018 0.000 2.851 36 V HA 0.930 5.050 4.120 -0.000 0.000 0.307 36 V C -0.138 175.945 176.094 -0.018 0.000 1.129 36 V CA 0.844 63.145 62.300 0.000 0.000 0.932 36 V CB 2.021 33.841 31.823 -0.005 0.000 1.024 36 V HN 2.391 nan 8.190 nan 0.000 0.426 37 G N 3.103 111.884 108.800 -0.031 0.000 2.355 37 G HA2 0.473 4.433 3.960 -0.000 0.000 0.296 37 G HA3 0.473 4.433 3.960 -0.000 0.000 0.296 37 G C -0.837 174.039 174.900 -0.039 0.000 1.507 37 G CA 0.107 45.187 45.100 -0.033 0.000 0.823 37 G HN 0.915 nan 8.290 nan 0.000 0.569 38 D N -0.852 119.526 120.400 -0.037 0.000 2.792 38 D HA -0.164 4.476 4.640 -0.000 0.000 0.231 38 D C 1.609 177.881 176.300 -0.047 0.000 1.160 38 D CA 2.865 56.844 54.000 -0.036 0.000 0.697 38 D CB -1.216 39.565 40.800 -0.030 0.000 1.070 38 D HN 2.305 nan 8.370 nan 0.000 0.426 39 G N -0.825 107.937 108.800 -0.064 0.000 2.198 39 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 39 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 39 G C 0.109 174.954 174.900 -0.092 0.000 1.025 39 G CA 0.385 45.434 45.100 -0.086 0.000 0.769 39 G HN 0.483 nan 8.290 nan 0.000 0.507 40 I N 0.261 120.787 120.570 -0.073 0.000 2.498 40 I HA 0.721 4.891 4.170 -0.000 0.000 0.290 40 I C 0.306 176.407 176.117 -0.028 0.000 1.032 40 I CA -1.308 59.961 61.300 -0.052 0.000 1.073 40 I CB 1.572 39.550 38.000 -0.037 0.000 1.251 40 I HN 0.366 nan 8.210 nan 0.000 0.426 41 A N 7.139 129.971 122.820 0.019 0.000 2.318 41 A HA 0.714 5.034 4.320 -0.000 0.000 0.317 41 A C -0.181 177.462 177.584 0.099 0.000 1.159 41 A CA -0.730 51.362 52.037 0.093 0.000 0.799 41 A CB 0.938 20.087 19.000 0.250 0.000 1.194 41 A HN 0.677 nan 8.150 nan 0.000 0.479 42 R N 1.585 122.133 120.500 0.080 0.000 2.202 42 R HA 0.513 4.853 4.340 -0.000 0.000 0.334 42 R C -1.213 175.146 176.300 0.098 0.000 1.036 42 R CA -0.254 55.889 56.100 0.072 0.000 0.878 42 R CB 1.412 31.742 30.300 0.050 0.000 1.067 42 R HN 0.452 nan 8.270 nan 0.000 0.457 43 V N 4.991 124.962 119.914 0.096 0.000 2.487 43 V HA 0.282 4.402 4.120 -0.000 0.000 0.298 43 V C -0.591 175.581 176.094 0.130 0.000 1.028 43 V CA -0.879 61.480 62.300 0.098 0.000 0.860 43 V CB 1.537 33.380 31.823 0.034 0.000 0.991 43 V HN 0.528 nan 8.190 nan 0.000 0.427 44 F N 4.324 124.271 119.950 -0.005 0.000 2.396 44 F HA 0.771 5.298 4.527 -0.000 0.000 0.343 44 F C 0.829 176.617 175.800 -0.020 0.000 1.104 44 F CA 1.211 59.205 58.000 -0.009 0.000 1.161 44 F CB 0.988 39.985 39.000 -0.005 0.000 1.146 44 F HN 0.897 nan 8.300 nan 0.000 0.522 45 G N 4.113 112.493 108.800 -0.699 0.000 2.464 45 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 45 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 45 G C 0.219 174.940 174.900 -0.297 0.000 1.186 45 G CA -0.398 44.342 45.100 -0.600 0.000 1.010 45 G HN 1.372 nan 8.290 nan 0.000 0.585 46 L N -0.120 120.976 121.223 -0.211 0.000 4.137 46 L HA -0.290 4.050 4.340 -0.000 0.000 0.421 46 L C 1.979 178.777 176.870 -0.119 0.000 1.162 46 L CA 0.857 55.613 54.840 -0.140 0.000 0.978 46 L CB -1.550 40.440 42.059 -0.115 0.000 1.957 46 L HN 0.674 nan 8.230 nan 0.000 0.978 47 N N 0.622 119.237 118.700 -0.143 0.000 2.073 47 N HA -0.220 4.520 4.740 -0.000 0.000 0.199 47 N C 1.251 176.718 175.510 -0.071 0.000 1.023 47 N CA 2.302 55.287 53.050 -0.109 0.000 0.880 47 N CB -0.458 37.962 38.487 -0.112 0.000 1.052 47 N HN 0.549 nan 8.380 nan 0.000 0.449 48 N N 0.822 119.483 118.700 -0.065 0.000 2.609 48 N HA 0.006 4.746 4.740 -0.000 0.000 0.190 48 N C 0.651 176.138 175.510 -0.038 0.000 1.157 48 N CA -0.009 53.013 53.050 -0.046 0.000 0.918 48 N CB -0.103 38.359 38.487 -0.041 0.000 0.978 48 N HN 0.417 nan 8.380 nan 0.000 0.448 49 I N 1.064 121.607 120.570 -0.045 0.000 2.892 49 I HA -0.127 4.043 4.170 -0.000 0.000 0.287 49 I C 0.236 176.340 176.117 -0.022 0.000 1.205 49 I CA 0.009 61.288 61.300 -0.035 0.000 1.409 49 I CB 0.597 38.571 38.000 -0.043 0.000 1.367 49 I HN 0.062 nan 8.210 nan 0.000 0.597 50 Q N 4.873 124.666 119.800 -0.012 0.000 2.222 50 Q HA 0.514 4.854 4.340 -0.000 0.000 0.252 50 Q C -0.253 175.748 176.000 0.002 0.000 0.926 50 Q CA -0.878 54.923 55.803 -0.003 0.000 0.899 50 Q CB 1.596 30.336 28.738 0.003 0.000 1.250 50 Q HN 0.763 nan 8.270 nan 0.000 0.441 51 A N 2.424 125.247 122.820 0.005 0.000 2.548 51 A HA 0.025 4.345 4.320 -0.000 0.000 0.247 51 A C 0.035 177.631 177.584 0.018 0.000 1.067 51 A CA 0.368 52.410 52.037 0.010 0.000 0.757 51 A CB -0.241 18.765 19.000 0.011 0.000 0.996 51 A HN 0.971 nan 8.150 nan 0.000 0.504 52 E N -0.461 119.753 120.200 0.024 0.000 3.303 52 E HA -0.185 4.165 4.350 -0.000 0.000 0.302 52 E C 0.067 176.703 176.600 0.060 0.000 0.902 52 E CA 1.096 57.522 56.400 0.043 0.000 1.042 52 E CB -1.462 28.262 29.700 0.040 0.000 1.528 52 E HN 0.936 nan 8.360 nan 0.000 0.424 53 E N 1.007 121.235 120.200 0.047 0.000 2.301 53 E HA 0.348 4.698 4.350 -0.000 0.000 0.275 53 E C -0.424 176.226 176.600 0.084 0.000 1.030 53 E CA -0.618 55.814 56.400 0.052 0.000 0.852 53 E CB 0.821 30.535 29.700 0.024 0.000 1.060 53 E HN 0.121 nan 8.360 nan 0.000 0.401 54 L N 5.589 126.876 121.223 0.106 0.000 2.410 54 L HA 0.176 4.516 4.340 -0.000 0.000 0.273 54 L C -0.503 176.423 176.870 0.094 0.000 1.152 54 L CA 0.025 54.958 54.840 0.155 0.000 0.855 54 L CB 0.980 43.127 42.059 0.146 0.000 1.129 54 L HN 0.441 nan 8.230 nan 0.000 0.463 55 V N 1.552 121.527 119.914 0.101 0.000 3.103 55 V HA 0.689 4.809 4.120 -0.000 0.000 0.318 55 V C -0.559 175.564 176.094 0.048 0.000 1.114 55 V CA -0.809 61.496 62.300 0.010 0.000 1.020 55 V CB 1.938 33.698 31.823 -0.105 0.000 1.085 55 V HN 0.779 nan 8.190 nan 0.000 0.446 56 E N 0.876 121.047 120.200 -0.049 0.000 2.244 56 E HA 0.465 4.815 4.350 -0.000 0.000 0.260 56 E C -1.843 174.722 176.600 -0.058 0.000 0.884 56 E CA -0.358 56.061 56.400 0.032 0.000 0.777 56 E CB 2.010 31.730 29.700 0.033 0.000 1.197 56 E HN 0.638 nan 8.360 nan 0.000 0.416 57 F N 1.497 121.468 119.950 0.036 0.000 2.412 57 F HA 0.003 4.530 4.527 -0.000 0.000 0.348 57 F C 2.071 177.887 175.800 0.026 0.000 1.102 57 F CA -0.003 58.013 58.000 0.027 0.000 1.196 57 F CB 1.286 40.301 39.000 0.026 0.000 1.144 57 F HN 0.471 nan 8.300 nan 0.000 0.541 58 S N 0.762 116.557 115.700 0.158 0.000 2.387 58 S HA -0.239 4.231 4.470 -0.000 0.000 0.230 58 S C 2.030 176.695 174.600 0.109 0.000 1.035 58 S CA 1.630 59.890 58.200 0.100 0.000 1.014 58 S CB -0.898 62.345 63.200 0.071 0.000 0.836 58 S HN 0.711 nan 8.310 nan 0.000 0.466 59 S N 0.088 115.870 115.700 0.137 0.000 2.515 59 S HA 0.397 4.867 4.470 -0.000 0.000 0.231 59 S C 1.642 176.294 174.600 0.086 0.000 0.987 59 S CA 0.882 59.138 58.200 0.094 0.000 0.936 59 S CB -0.480 62.765 63.200 0.074 0.000 0.766 59 S HN 1.472 nan 8.310 nan 0.000 0.528 60 G N -0.049 108.825 108.800 0.123 0.000 2.797 60 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.195 60 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.195 60 G C 0.059 175.034 174.900 0.126 0.000 1.026 60 G CA -0.217 44.945 45.100 0.104 0.000 0.759 60 G HN 0.748 nan 8.290 nan 0.000 0.475 61 V N 2.201 122.183 119.914 0.114 0.000 2.673 61 V HA 0.504 4.624 4.120 -0.000 0.000 0.303 61 V C 0.725 176.970 176.094 0.252 0.000 1.046 61 V CA 0.576 62.936 62.300 0.100 0.000 1.126 61 V CB 1.012 32.794 31.823 -0.067 0.000 0.934 61 V HN 0.398 nan 8.190 nan 0.000 0.487 62 K N 3.711 124.270 120.400 0.264 0.000 2.109 62 K HA 0.784 5.104 4.320 -0.000 0.000 0.243 62 K C 0.161 177.011 176.600 0.416 0.000 1.006 62 K CA 0.396 56.900 56.287 0.362 0.000 0.917 62 K CB 1.576 34.271 32.500 0.324 0.000 1.081 62 K HN 0.971 nan 8.250 nan 0.000 0.468 63 G N -0.019 109.028 108.800 0.412 0.000 2.663 63 G HA2 0.577 4.537 3.960 -0.000 0.000 0.299 63 G HA3 0.577 4.537 3.960 -0.000 0.000 0.299 63 G C -1.846 173.097 174.900 0.072 0.000 1.372 63 G CA -0.711 44.468 45.100 0.132 0.000 0.781 63 G HN 0.477 nan 8.290 nan 0.000 0.491 64 M N 0.515 120.018 119.600 -0.161 0.000 2.386 64 M HA 0.679 5.159 4.480 -0.000 0.000 0.293 64 M C -1.050 175.225 176.300 -0.042 0.000 1.120 64 M CA -0.889 54.389 55.300 -0.037 0.000 0.909 64 M CB 2.119 34.679 32.600 -0.066 0.000 1.661 64 M HN 0.847 nan 8.290 nan 0.000 0.452 65 A N 5.452 128.274 122.820 0.004 0.000 2.294 65 A HA 0.531 4.851 4.320 -0.000 0.000 0.316 65 A C -0.069 177.511 177.584 -0.006 0.000 1.359 65 A CA -0.533 51.501 52.037 -0.005 0.000 0.956 65 A CB -0.021 18.977 19.000 -0.004 0.000 1.155 65 A HN 1.053 nan 8.150 nan 0.000 0.544 66 L N 1.417 122.629 121.223 -0.019 0.000 2.388 66 L HA 0.155 4.495 4.340 -0.000 0.000 0.209 66 L C 0.113 176.981 176.870 -0.003 0.000 1.061 66 L CA 0.167 54.999 54.840 -0.014 0.000 0.834 66 L CB 0.021 42.059 42.059 -0.035 0.000 1.029 66 L HN 0.523 nan 8.230 nan 0.000 0.473 67 N N 1.440 120.137 118.700 -0.005 0.000 2.527 67 N HA 0.330 5.070 4.740 -0.000 0.000 0.236 67 N C -0.878 174.634 175.510 0.003 0.000 0.999 67 N CA 0.069 53.120 53.050 0.001 0.000 0.935 67 N CB 0.976 39.463 38.487 -0.000 0.000 1.132 67 N HN 0.055 nan 8.380 nan 0.000 0.511 68 L N 2.244 123.469 121.223 0.003 0.000 2.288 68 L HA 0.336 4.676 4.340 -0.000 0.000 0.283 68 L C 0.532 177.406 176.870 0.005 0.000 1.072 68 L CA -0.279 54.562 54.840 0.001 0.000 0.862 68 L CB 0.216 42.274 42.059 -0.003 0.000 1.245 68 L HN 0.301 nan 8.230 nan 0.000 0.432 69 E N 3.219 123.425 120.200 0.010 0.000 2.239 69 E HA 0.313 4.663 4.350 -0.000 0.000 0.261 69 E C -1.645 174.968 176.600 0.020 0.000 1.016 69 E CA -1.695 54.714 56.400 0.016 0.000 0.882 69 E CB 1.268 30.981 29.700 0.021 0.000 1.190 69 E HN 0.246 nan 8.360 nan 0.000 0.415 70 P HA -0.114 nan 4.420 nan 0.000 0.213 70 P C 1.281 178.613 177.300 0.054 0.000 1.170 70 P CA 1.172 64.289 63.100 0.029 0.000 0.893 70 P CB -0.023 31.693 31.700 0.027 0.000 0.784 71 G N -0.574 108.268 108.800 0.069 0.000 2.440 71 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 71 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 71 G C 0.766 175.773 174.900 0.178 0.000 1.154 71 G CA 0.935 46.106 45.100 0.118 0.000 0.767 71 G HN 0.500 nan 8.290 nan 0.000 0.552 72 Q N -2.299 117.568 119.800 0.112 0.000 2.854 72 Q HA 0.640 4.980 4.340 -0.000 0.000 0.331 72 Q C -2.134 173.895 176.000 0.048 0.000 0.859 72 Q CA -0.855 55.016 55.803 0.113 0.000 0.787 72 Q CB 1.762 30.572 28.738 0.120 0.000 1.410 72 Q HN 0.005 nan 8.270 nan 0.000 0.510 73 V N 0.025 119.963 119.914 0.040 0.000 2.638 73 V HA 0.679 4.799 4.120 -0.000 0.000 0.306 73 V C -0.341 175.770 176.094 0.028 0.000 1.052 73 V CA -0.219 62.091 62.300 0.017 0.000 0.885 73 V CB 1.886 33.703 31.823 -0.009 0.000 0.999 73 V HN 0.843 nan 8.190 nan 0.000 0.424 74 G N 4.584 113.395 108.800 0.019 0.000 2.335 74 G HA2 0.721 4.681 3.960 -0.000 0.000 0.316 74 G HA3 0.721 4.681 3.960 -0.000 0.000 0.316 74 G C -0.922 173.985 174.900 0.012 0.000 1.129 74 G CA -0.324 44.788 45.100 0.019 0.000 0.899 74 G HN 0.574 nan 8.290 nan 0.000 0.448 75 I N 2.111 122.702 120.570 0.035 0.000 2.465 75 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 75 I C 0.017 176.127 176.117 -0.011 0.000 1.014 75 I CA -1.185 60.138 61.300 0.037 0.000 1.093 75 I CB 2.457 40.544 38.000 0.144 0.000 1.267 75 I HN 0.360 nan 8.210 nan 0.000 0.431 76 V N 5.428 125.278 119.914 -0.107 0.000 2.407 76 V HA 0.513 4.633 4.120 -0.000 0.000 0.278 76 V C -0.137 175.773 176.094 -0.307 0.000 1.037 76 V CA -0.751 61.435 62.300 -0.191 0.000 0.900 76 V CB 0.981 32.667 31.823 -0.228 0.000 0.983 76 V HN 0.468 nan 8.190 nan 0.000 0.459 77 L N 4.254 125.330 121.223 -0.244 0.000 2.331 77 L HA 0.426 4.766 4.340 -0.000 0.000 0.278 77 L C 0.105 176.846 176.870 -0.216 0.000 1.106 77 L CA -0.326 54.370 54.840 -0.241 0.000 0.824 77 L CB 0.514 42.431 42.059 -0.238 0.000 1.142 77 L HN 0.566 nan 8.230 nan 0.000 0.443 78 F N 2.140 122.111 119.950 0.036 0.000 2.811 78 F HA 0.362 4.889 4.527 -0.000 0.000 0.292 78 F C 1.178 176.994 175.800 0.026 0.000 1.240 78 F CA -0.141 57.888 58.000 0.048 0.000 1.422 78 F CB -0.348 38.694 39.000 0.070 0.000 1.045 78 F HN 0.628 nan 8.300 nan 0.000 0.512 79 G N -1.191 107.678 108.800 0.115 0.000 2.435 79 G HA2 0.313 4.273 3.960 -0.000 0.000 0.296 79 G HA3 0.313 4.273 3.960 -0.000 0.000 0.296 79 G C -1.286 173.613 174.900 -0.001 0.000 1.240 79 G CA -0.598 44.542 45.100 0.066 0.000 0.872 79 G HN 0.033 nan 8.290 nan 0.000 0.480 80 S N -0.653 115.037 115.700 -0.017 0.000 2.632 80 S HA 0.448 4.918 4.470 -0.000 0.000 0.271 80 S C 0.706 175.254 174.600 -0.086 0.000 1.260 80 S CA 0.572 58.749 58.200 -0.038 0.000 1.010 80 S CB 1.352 64.541 63.200 -0.019 0.000 0.965 80 S HN 0.718 nan 8.310 nan 0.000 0.534 81 D N 2.157 122.503 120.400 -0.090 0.000 2.349 81 D HA 0.100 4.740 4.640 -0.000 0.000 0.214 81 D C 1.464 177.714 176.300 -0.085 0.000 1.063 81 D CA 0.020 53.946 54.000 -0.124 0.000 0.847 81 D CB -0.140 40.588 40.800 -0.119 0.000 0.933 81 D HN 0.482 nan 8.370 nan 0.000 0.513 82 R N 0.233 120.700 120.500 -0.055 0.000 2.133 82 R HA -0.100 4.240 4.340 -0.000 0.000 0.245 82 R C 1.649 177.930 176.300 -0.030 0.000 1.137 82 R CA 1.632 57.712 56.100 -0.033 0.000 0.947 82 R CB -0.409 29.879 30.300 -0.020 0.000 0.865 82 R HN 0.286 nan 8.270 nan 0.000 0.437 83 L N 0.888 122.091 121.223 -0.034 0.000 2.592 83 L HA 0.141 4.481 4.340 -0.000 0.000 0.227 83 L C 0.018 176.879 176.870 -0.015 0.000 1.127 83 L CA -0.338 54.492 54.840 -0.016 0.000 0.884 83 L CB 0.392 42.449 42.059 -0.003 0.000 1.065 83 L HN -0.075 nan 8.230 nan 0.000 0.457 84 V N 0.968 120.851 119.914 -0.052 0.000 2.546 84 V HA 0.229 4.349 4.120 -0.000 0.000 0.284 84 V C 0.158 176.253 176.094 0.001 0.000 1.050 84 V CA -0.274 62.002 62.300 -0.039 0.000 0.981 84 V CB 1.307 33.031 31.823 -0.167 0.000 0.990 84 V HN 0.244 nan 8.190 nan 0.000 0.474 85 K N 2.311 122.737 120.400 0.042 0.000 2.482 85 K HA 0.414 4.734 4.320 -0.000 0.000 0.257 85 K C -0.544 176.090 176.600 0.057 0.000 0.969 85 K CA -0.925 55.385 56.287 0.039 0.000 0.842 85 K CB 2.407 34.927 32.500 0.033 0.000 1.359 85 K HN 0.715 nan 8.250 nan 0.000 0.441 86 E N 0.455 120.680 120.200 0.042 0.000 2.558 86 E HA -0.051 4.299 4.350 -0.000 0.000 0.255 86 E C 0.491 177.121 176.600 0.050 0.000 0.968 86 E CA 1.400 57.827 56.400 0.045 0.000 0.939 86 E CB 0.060 29.776 29.700 0.026 0.000 0.921 86 E HN 0.795 nan 8.360 nan 0.000 0.477 87 G N 3.822 112.659 108.800 0.063 0.000 2.195 87 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.246 87 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.246 87 G C 0.188 175.128 174.900 0.067 0.000 0.984 87 G CA 0.309 45.445 45.100 0.060 0.000 0.633 87 G HN 0.665 nan 8.290 nan 0.000 0.525 88 E N 0.454 120.707 120.200 0.088 0.000 2.452 88 E HA 0.322 4.672 4.350 -0.000 0.000 0.261 88 E C 0.791 177.438 176.600 0.078 0.000 0.987 88 E CA -0.559 55.902 56.400 0.101 0.000 0.926 88 E CB 0.318 30.114 29.700 0.161 0.000 0.934 88 E HN 0.578 nan 8.360 nan 0.000 0.452 89 L N 5.445 126.697 121.223 0.048 0.000 2.477 89 L HA 0.169 4.509 4.340 -0.000 0.000 0.272 89 L C -1.177 175.656 176.870 -0.061 0.000 1.157 89 L CA -0.322 54.518 54.840 0.001 0.000 0.889 89 L CB 0.595 42.657 42.059 0.004 0.000 1.158 89 L HN 0.340 nan 8.230 nan 0.000 0.473 90 V N 4.931 124.754 119.914 -0.152 0.000 2.459 90 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 90 V C -0.180 175.773 176.094 -0.235 0.000 1.029 90 V CA -0.678 61.409 62.300 -0.354 0.000 0.874 90 V CB 1.594 33.102 31.823 -0.524 0.000 0.985 90 V HN 0.748 nan 8.190 nan 0.000 0.438 91 K N 4.445 124.714 120.400 -0.219 0.000 2.324 91 K HA 0.561 4.881 4.320 -0.000 0.000 0.253 91 K C -0.118 176.416 176.600 -0.111 0.000 0.932 91 K CA -0.560 55.652 56.287 -0.125 0.000 0.799 91 K CB 1.449 33.905 32.500 -0.073 0.000 1.154 91 K HN 0.599 nan 8.250 nan 0.000 0.425 92 R N 1.313 121.764 120.500 -0.081 0.000 2.801 92 R HA 0.157 4.497 4.340 -0.000 0.000 0.273 92 R C 0.054 176.336 176.300 -0.030 0.000 1.080 92 R CA 0.406 56.472 56.100 -0.055 0.000 1.197 92 R CB 0.511 30.782 30.300 -0.047 0.000 1.109 92 R HN 0.803 nan 8.270 nan 0.000 0.535 93 T N -1.008 113.538 114.554 -0.013 0.000 2.964 93 T HA 0.171 4.521 4.350 -0.000 0.000 0.250 93 T C 1.015 175.717 174.700 0.002 0.000 0.982 93 T CA 0.477 62.579 62.100 0.002 0.000 0.959 93 T CB 0.729 69.610 68.868 0.021 0.000 1.141 93 T HN 0.881 nan 8.240 nan 0.000 0.494 94 G N 2.046 110.845 108.800 -0.001 0.000 2.241 94 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 94 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 94 G C -0.044 174.860 174.900 0.007 0.000 0.998 94 G CA -0.042 45.058 45.100 -0.000 0.000 0.621 94 G HN 0.555 nan 8.290 nan 0.000 0.519 95 N N 0.917 119.626 118.700 0.015 0.000 2.399 95 N HA 0.603 5.343 4.740 -0.000 0.000 0.295 95 N C 0.117 175.647 175.510 0.033 0.000 1.048 95 N CA -0.997 52.066 53.050 0.021 0.000 0.886 95 N CB 1.376 39.875 38.487 0.021 0.000 1.185 95 N HN 0.092 nan 8.380 nan 0.000 0.487 96 I N 1.925 122.513 120.570 0.031 0.000 2.588 96 I HA 0.040 4.210 4.170 -0.000 0.000 0.283 96 I C 0.584 176.731 176.117 0.050 0.000 1.119 96 I CA -0.425 60.900 61.300 0.041 0.000 1.419 96 I CB 0.249 38.267 38.000 0.030 0.000 1.394 96 I HN 0.294 nan 8.210 nan 0.000 0.562 97 V N 6.724 126.685 119.914 0.078 0.000 2.742 97 V HA -0.140 3.980 4.120 -0.000 0.000 0.302 97 V C 0.267 176.383 176.094 0.037 0.000 1.133 97 V CA 0.545 62.892 62.300 0.077 0.000 1.284 97 V CB -0.781 31.127 31.823 0.142 0.000 0.850 97 V HN 0.959 nan 8.190 nan 0.000 0.494 98 D N 3.660 124.066 120.400 0.011 0.000 2.592 98 D HA 0.745 5.385 4.640 -0.000 0.000 0.263 98 D C -0.683 175.608 176.300 -0.016 0.000 1.132 98 D CA -0.684 53.319 54.000 0.005 0.000 0.996 98 D CB 2.035 42.840 40.800 0.009 0.000 1.442 98 D HN 0.439 nan 8.370 nan 0.000 0.486 99 V N -4.143 115.767 119.914 -0.008 0.000 2.962 99 V HA 0.745 4.865 4.120 -0.000 0.000 0.313 99 V C -2.679 173.402 176.094 -0.022 0.000 1.099 99 V CA -2.212 60.077 62.300 -0.019 0.000 0.971 99 V CB 1.645 33.463 31.823 -0.008 0.000 1.028 99 V HN 0.633 nan 8.190 nan 0.000 0.430 100 P HA 0.377 nan 4.420 nan 0.000 0.272 100 P C -0.636 176.618 177.300 -0.077 0.000 1.223 100 P CA 0.060 63.126 63.100 -0.057 0.000 0.784 100 P CB 1.537 33.197 31.700 -0.066 0.000 0.923 101 V N -2.115 117.726 119.914 -0.122 0.000 3.130 101 V HA 1.017 5.137 4.120 -0.000 0.000 0.310 101 V C -0.198 175.600 176.094 -0.494 0.000 1.158 101 V CA -0.356 61.813 62.300 -0.217 0.000 1.029 101 V CB 1.426 33.201 31.823 -0.081 0.000 1.057 101 V HN 1.030 nan 8.190 nan 0.000 0.436 102 G N 1.644 109.904 108.800 -0.899 0.000 2.339 102 G HA2 0.293 4.253 3.960 -0.000 0.000 0.381 102 G HA3 0.293 4.253 3.960 -0.000 0.000 0.381 102 G C -2.678 171.521 174.900 -1.169 0.000 1.400 102 G CA 0.045 44.217 45.100 -1.546 0.000 1.002 102 G HN 0.712 nan 8.290 nan 0.000 0.633 103 P HA 0.019 nan 4.420 nan 0.000 0.228 103 P C 1.688 178.824 177.300 -0.274 0.000 1.151 103 P CA 1.514 64.260 63.100 -0.590 0.000 0.770 103 P CB -0.075 31.373 31.700 -0.419 0.000 0.786 104 G N -0.309 108.311 108.800 -0.299 0.000 2.776 104 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.209 104 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.209 104 G C 1.197 176.031 174.900 -0.111 0.000 1.145 104 G CA 0.126 45.129 45.100 -0.162 0.000 0.791 104 G HN 0.216 nan 8.290 nan 0.000 0.530 105 L N -0.026 121.125 121.223 -0.120 0.000 2.477 105 L HA 0.336 4.676 4.340 -0.000 0.000 0.220 105 L C 1.209 178.089 176.870 0.017 0.000 1.106 105 L CA 0.013 54.824 54.840 -0.050 0.000 0.851 105 L CB -0.110 41.917 42.059 -0.053 0.000 0.994 105 L HN 0.060 nan 8.230 nan 0.000 0.462 106 L N 0.775 122.030 121.223 0.053 0.000 2.601 106 L HA 0.082 4.422 4.340 -0.000 0.000 0.277 106 L C 1.461 178.369 176.870 0.063 0.000 1.219 106 L CA 0.904 55.812 54.840 0.113 0.000 0.915 106 L CB -0.332 41.837 42.059 0.183 0.000 1.160 106 L HN 0.470 nan 8.230 nan 0.000 0.494 107 G N 2.086 110.913 108.800 0.045 0.000 2.176 107 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.253 107 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.253 107 G C 0.245 175.146 174.900 0.001 0.000 0.979 107 G CA -0.379 44.727 45.100 0.010 0.000 0.641 107 G HN 0.481 nan 8.290 nan 0.000 0.530 108 R N -0.119 120.386 120.500 0.009 0.000 2.604 108 R HA 0.666 5.006 4.340 -0.000 0.000 0.287 108 R C -0.234 176.071 176.300 0.009 0.000 0.970 108 R CA -0.768 55.334 56.100 0.003 0.000 0.946 108 R CB 1.742 32.040 30.300 -0.003 0.000 1.127 108 R HN 0.211 nan 8.270 nan 0.000 0.473 109 V N 2.868 122.786 119.914 0.007 0.000 2.370 109 V HA 0.367 4.487 4.120 -0.000 0.000 0.279 109 V C 0.323 176.425 176.094 0.014 0.000 1.029 109 V CA -0.772 61.537 62.300 0.016 0.000 0.870 109 V CB 1.280 33.112 31.823 0.014 0.000 0.984 109 V HN 0.596 nan 8.190 nan 0.000 0.451 110 V N 1.344 121.268 119.914 0.018 0.000 2.864 110 V HA 0.781 4.901 4.120 -0.000 0.000 0.314 110 V C -0.274 175.830 176.094 0.015 0.000 1.073 110 V CA -0.936 61.370 62.300 0.010 0.000 0.956 110 V CB 2.035 33.858 31.823 -0.000 0.000 1.023 110 V HN 0.801 nan 8.190 nan 0.000 0.435 111 D N 2.806 123.211 120.400 0.009 0.000 2.393 111 D HA 0.360 5.000 4.640 -0.000 0.000 0.246 111 D C 1.267 177.566 176.300 -0.001 0.000 1.275 111 D CA 0.223 54.229 54.000 0.010 0.000 0.979 111 D CB 0.989 41.794 40.800 0.008 0.000 1.101 111 D HN 0.866 nan 8.370 nan 0.000 0.505 112 A N -0.376 122.443 122.820 -0.002 0.000 2.019 112 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 112 A C 2.124 179.672 177.584 -0.059 0.000 1.164 112 A CA 0.988 53.019 52.037 -0.011 0.000 0.644 112 A CB -0.746 18.265 19.000 0.018 0.000 0.805 112 A HN 0.537 nan 8.150 nan 0.000 0.449 113 L N -1.313 119.849 121.223 -0.102 0.000 2.653 113 L HA 0.308 4.648 4.340 -0.000 0.000 0.231 113 L C 1.369 178.196 176.870 -0.073 0.000 1.153 113 L CA 0.427 55.188 54.840 -0.131 0.000 0.933 113 L CB 0.026 41.954 42.059 -0.218 0.000 1.175 113 L HN 0.492 nan 8.230 nan 0.000 0.473 114 G N 0.100 108.873 108.800 -0.045 0.000 2.160 114 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 114 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 114 G C -0.118 174.764 174.900 -0.029 0.000 1.022 114 G CA -0.351 44.730 45.100 -0.032 0.000 0.741 114 G HN 0.365 nan 8.290 nan 0.000 0.508 115 N N 1.262 119.947 118.700 -0.025 0.000 2.499 115 N HA 0.453 5.193 4.740 -0.000 0.000 0.281 115 N C -2.560 172.945 175.510 -0.009 0.000 1.098 115 N CA -1.315 51.725 53.050 -0.017 0.000 0.979 115 N CB 1.292 39.772 38.487 -0.012 0.000 1.121 115 N HN 0.109 nan 8.380 nan 0.000 0.466 116 P HA 0.140 nan 4.420 nan 0.000 0.268 116 P C 0.545 177.845 177.300 0.001 0.000 1.205 116 P CA -0.024 63.073 63.100 -0.005 0.000 0.771 116 P CB 0.458 32.153 31.700 -0.007 0.000 0.858 117 I N -1.148 119.425 120.570 0.005 0.000 4.338 117 I HA 0.243 4.413 4.170 -0.000 0.000 0.329 117 I C 0.375 176.496 176.117 0.007 0.000 1.378 117 I CA -0.092 61.213 61.300 0.008 0.000 1.170 117 I CB 0.103 38.112 38.000 0.014 0.000 1.206 117 I HN 0.031 nan 8.210 nan 0.000 0.432 118 D N 1.328 121.730 120.400 0.004 0.000 2.328 118 D HA 0.153 4.793 4.640 -0.000 0.000 0.221 118 D C 1.619 177.919 176.300 -0.001 0.000 1.072 118 D CA 0.353 54.353 54.000 0.001 0.000 0.850 118 D CB -0.054 40.745 40.800 -0.001 0.000 0.922 118 D HN 0.410 nan 8.370 nan 0.000 0.516 119 G N 0.965 109.765 108.800 0.000 0.000 2.225 119 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.267 119 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.267 119 G C 0.745 175.644 174.900 -0.003 0.000 1.024 119 G CA 0.526 45.625 45.100 -0.001 0.000 0.784 119 G HN 0.473 nan 8.290 nan 0.000 0.507 120 K N -0.202 120.196 120.400 -0.004 0.000 2.373 120 K HA 0.449 4.769 4.320 -0.000 0.000 0.202 120 K C 1.416 178.012 176.600 -0.007 0.000 1.025 120 K CA 0.325 56.609 56.287 -0.005 0.000 1.115 120 K CB 0.703 33.199 32.500 -0.006 0.000 0.858 120 K HN 1.405 nan 8.250 nan 0.000 0.525 121 G N 2.335 111.132 108.800 -0.006 0.000 2.660 121 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.247 121 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.247 121 G C -2.748 172.145 174.900 -0.011 0.000 1.328 121 G CA -1.283 43.812 45.100 -0.007 0.000 0.884 121 G HN -0.059 nan 8.290 nan 0.000 0.531 122 P HA 0.319 nan 4.420 nan 0.000 0.267 122 P C 0.203 177.488 177.300 -0.024 0.000 1.195 122 P CA -0.130 62.960 63.100 -0.017 0.000 0.773 122 P CB 0.308 31.998 31.700 -0.017 0.000 0.837 123 I N 2.357 122.908 120.570 -0.031 0.000 2.336 123 I HA 0.162 4.332 4.170 -0.000 0.000 0.292 123 I C 0.144 176.229 176.117 -0.054 0.000 0.991 123 I CA -0.396 60.878 61.300 -0.044 0.000 1.227 123 I CB 0.848 38.819 38.000 -0.048 0.000 1.366 123 I HN 0.203 nan 8.210 nan 0.000 0.466 124 D N 5.623 125.984 120.400 -0.067 0.000 2.365 124 D HA 0.429 5.069 4.640 -0.000 0.000 0.237 124 D C 0.275 176.506 176.300 -0.115 0.000 1.190 124 D CA 0.032 53.986 54.000 -0.076 0.000 0.867 124 D CB 1.312 42.070 40.800 -0.069 0.000 1.050 124 D HN 0.591 nan 8.370 nan 0.000 0.491 125 A N 1.746 124.504 122.820 -0.105 0.000 2.316 125 A HA 0.591 4.911 4.320 -0.000 0.000 0.284 125 A C 1.060 178.564 177.584 -0.133 0.000 1.115 125 A CA -0.306 51.650 52.037 -0.136 0.000 0.812 125 A CB 1.088 20.031 19.000 -0.095 0.000 1.064 125 A HN 0.545 nan 8.150 nan 0.000 0.489 126 A N 1.385 124.092 122.820 -0.188 0.000 2.081 126 A HA 0.538 4.858 4.320 -0.000 0.000 0.214 126 A C 1.113 178.685 177.584 -0.020 0.000 1.158 126 A CA 1.399 53.371 52.037 -0.108 0.000 0.724 126 A CB -0.286 18.624 19.000 -0.149 0.000 0.826 126 A HN 2.134 nan 8.150 nan 0.000 0.463 127 G N -1.323 107.456 108.800 -0.035 0.000 2.341 127 G HA2 0.504 4.464 3.960 -0.000 0.000 0.299 127 G HA3 0.504 4.464 3.960 -0.000 0.000 0.299 127 G C -1.377 173.518 174.900 -0.008 0.000 1.274 127 G CA -0.960 44.143 45.100 0.006 0.000 0.853 127 G HN 0.249 nan 8.290 nan 0.000 0.493 128 R N -0.828 119.678 120.500 0.010 0.000 2.854 128 R HA 0.832 5.172 4.340 -0.000 0.000 0.271 128 R C -1.179 175.136 176.300 0.024 0.000 0.996 128 R CA -0.793 55.311 56.100 0.006 0.000 0.961 128 R CB 2.259 32.559 30.300 0.000 0.000 1.182 128 R HN 0.456 nan 8.270 nan 0.000 0.479 129 S N 0.595 116.309 115.700 0.023 0.000 2.548 129 S HA 0.369 4.839 4.470 -0.000 0.000 0.276 129 S C -0.726 173.891 174.600 0.027 0.000 1.129 129 S CA -0.885 57.335 58.200 0.033 0.000 0.931 129 S CB 2.016 65.246 63.200 0.050 0.000 1.068 129 S HN 0.397 nan 8.310 nan 0.000 0.480 130 R N 0.925 121.440 120.500 0.026 0.000 2.698 130 R HA 0.197 4.537 4.340 -0.000 0.000 0.266 130 R C 1.459 177.778 176.300 0.032 0.000 1.026 130 R CA 0.247 56.361 56.100 0.024 0.000 1.102 130 R CB 0.181 30.492 30.300 0.018 0.000 0.978 130 R HN 0.802 nan 8.270 nan 0.000 0.436 131 A N 2.682 125.522 122.820 0.033 0.000 1.902 131 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 131 A C 0.837 178.441 177.584 0.033 0.000 1.181 131 A CA 1.279 53.348 52.037 0.054 0.000 0.623 131 A CB -0.021 19.017 19.000 0.063 0.000 0.818 131 A HN 0.627 nan 8.150 nan 0.000 0.443 132 Q N -0.764 119.015 119.800 -0.036 0.000 2.290 132 Q HA 0.578 4.918 4.340 -0.000 0.000 0.259 132 Q C -1.411 174.574 176.000 -0.025 0.000 0.941 132 Q CA 0.028 55.777 55.803 -0.091 0.000 0.912 132 Q CB 1.753 30.385 28.738 -0.176 0.000 1.244 132 Q HN 0.170 nan 8.270 nan 0.000 0.441 133 V N 3.445 123.357 119.914 -0.004 0.000 2.808 133 V HA 0.359 4.479 4.120 -0.000 0.000 0.308 133 V C -0.750 175.353 176.094 0.016 0.000 1.099 133 V CA -1.179 61.130 62.300 0.014 0.000 0.920 133 V CB 2.181 34.022 31.823 0.030 0.000 1.014 133 V HN 0.706 nan 8.190 nan 0.000 0.425 134 K N 2.707 123.119 120.400 0.019 0.000 2.451 134 K HA 0.467 4.787 4.320 -0.000 0.000 0.280 134 K C 0.466 177.082 176.600 0.026 0.000 1.020 134 K CA 0.188 56.492 56.287 0.027 0.000 1.008 134 K CB 0.677 33.194 32.500 0.029 0.000 0.917 134 K HN 0.892 nan 8.250 nan 0.000 0.478 135 A N 5.006 127.843 122.820 0.029 0.000 2.425 135 A HA 0.219 4.539 4.320 -0.000 0.000 0.242 135 A C -2.045 175.554 177.584 0.025 0.000 1.077 135 A CA -1.237 50.816 52.037 0.027 0.000 0.781 135 A CB -0.370 18.645 19.000 0.025 0.000 1.020 135 A HN 0.479 nan 8.150 nan 0.000 0.494 136 P HA 0.117 nan 4.420 nan 0.000 0.260 136 P C 0.745 178.059 177.300 0.022 0.000 1.172 136 P CA 0.942 64.052 63.100 0.018 0.000 0.760 136 P CB 0.309 32.019 31.700 0.017 0.000 0.773 137 G N 2.197 111.010 108.800 0.021 0.000 2.529 137 G HA2 0.038 3.998 3.960 -0.000 0.000 0.277 137 G HA3 0.038 3.998 3.960 -0.000 0.000 0.277 137 G C 1.101 176.014 174.900 0.022 0.000 1.383 137 G CA -0.427 44.687 45.100 0.023 0.000 1.050 137 G HN 0.329 nan 8.290 nan 0.000 0.526 138 I N -0.782 119.801 120.570 0.022 0.000 2.127 138 I HA -0.134 4.036 4.170 -0.000 0.000 0.241 138 I C 2.667 178.795 176.117 0.018 0.000 1.075 138 I CA 0.994 62.306 61.300 0.021 0.000 1.334 138 I CB -0.458 37.554 38.000 0.020 0.000 1.040 138 I HN 0.371 nan 8.210 nan 0.000 0.405 139 L N 1.301 122.533 121.223 0.015 0.000 2.044 139 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 139 L C -0.829 176.048 176.870 0.011 0.000 1.075 139 L CA 1.410 56.257 54.840 0.012 0.000 0.747 139 L CB -1.423 40.642 42.059 0.009 0.000 0.903 139 L HN 0.174 nan 8.230 nan 0.000 0.435 140 P HA 0.026 nan 4.420 nan 0.000 0.269 140 P C -0.606 176.702 177.300 0.013 0.000 1.601 140 P CA 0.431 63.536 63.100 0.008 0.000 0.831 140 P CB -0.218 31.484 31.700 0.003 0.000 1.688 141 R N -0.258 120.253 120.500 0.019 0.000 2.888 141 R HA 0.638 4.978 4.340 -0.000 0.000 0.266 141 R C 0.024 176.344 176.300 0.034 0.000 1.020 141 R CA -0.894 55.222 56.100 0.027 0.000 0.963 141 R CB 2.142 32.459 30.300 0.028 0.000 1.197 141 R HN -0.082 nan 8.270 nan 0.000 0.481 142 R N 0.291 120.822 120.500 0.050 0.000 2.744 142 R HA 0.367 4.707 4.340 -0.000 0.000 0.279 142 R C -0.981 175.368 176.300 0.082 0.000 0.977 142 R CA -0.526 55.614 56.100 0.067 0.000 0.906 142 R CB 2.314 32.672 30.300 0.097 0.000 1.197 142 R HN 0.729 nan 8.270 nan 0.000 0.463 143 S N 1.187 116.934 115.700 0.079 0.000 2.560 143 S HA 0.033 4.503 4.470 -0.000 0.000 0.284 143 S C 0.195 174.871 174.600 0.126 0.000 1.327 143 S CA -0.431 57.816 58.200 0.079 0.000 1.055 143 S CB 0.741 63.975 63.200 0.057 0.000 0.868 143 S HN 0.333 nan 8.310 nan 0.000 0.506 144 V N 5.257 125.215 119.914 0.073 0.000 2.493 144 V HA 0.044 4.164 4.120 -0.000 0.000 0.292 144 V C 1.400 177.533 176.094 0.066 0.000 1.016 144 V CA 0.566 62.886 62.300 0.032 0.000 1.097 144 V CB -0.398 31.425 31.823 -0.000 0.000 0.947 144 V HN 1.083 nan 8.190 nan 0.000 0.479 145 H N 2.290 121.342 119.070 -0.030 0.000 3.540 145 H HA 0.387 4.943 4.556 -0.000 0.000 0.259 145 H C -0.036 175.255 175.328 -0.060 0.000 1.197 145 H CA -0.473 55.553 56.048 -0.037 0.000 1.136 145 H CB 0.867 30.612 29.762 -0.027 0.000 1.605 145 H HN 0.610 nan 8.280 nan 0.000 0.657 146 E N 2.777 122.731 120.200 -0.410 0.000 2.199 146 E HA 0.389 4.739 4.350 -0.000 0.000 0.269 146 E C -2.891 173.555 176.600 -0.256 0.000 0.899 146 E CA -2.237 53.950 56.400 -0.355 0.000 0.772 146 E CB 2.416 31.813 29.700 -0.504 0.000 1.155 146 E HN 0.178 nan 8.360 nan 0.000 0.408 147 P HA 0.065 nan 4.420 nan 0.000 0.279 147 P C -0.806 176.343 177.300 -0.252 0.000 1.239 147 P CA -0.416 62.569 63.100 -0.191 0.000 0.789 147 P CB 0.700 32.304 31.700 -0.160 0.000 0.933 148 V N 4.697 124.500 119.914 -0.186 0.000 2.368 148 V HA 0.133 4.252 4.120 -0.000 0.000 0.266 148 V C 0.468 176.485 176.094 -0.129 0.000 1.045 148 V CA -0.090 62.102 62.300 -0.181 0.000 0.899 148 V CB 0.258 32.012 31.823 -0.114 0.000 1.006 148 V HN 0.472 nan 8.190 nan 0.000 0.470 149 Q N 2.724 122.435 119.800 -0.148 0.000 2.377 149 Q HA 0.197 4.537 4.340 -0.000 0.000 0.249 149 Q C 1.244 177.283 176.000 0.064 0.000 1.005 149 Q CA -0.100 55.693 55.803 -0.016 0.000 0.912 149 Q CB 1.240 30.016 28.738 0.063 0.000 1.223 149 Q HN 0.951 nan 8.270 nan 0.000 0.459 150 T N -1.208 113.369 114.554 0.039 0.000 2.904 150 T HA 0.026 4.376 4.350 -0.000 0.000 0.267 150 T C 1.460 176.194 174.700 0.057 0.000 1.059 150 T CA 0.744 62.869 62.100 0.042 0.000 1.137 150 T CB -0.031 68.848 68.868 0.018 0.000 0.879 150 T HN 0.862 nan 8.240 nan 0.000 0.467 151 G N 1.191 110.030 108.800 0.064 0.000 2.176 151 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.253 151 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.253 151 G C 0.001 174.917 174.900 0.028 0.000 0.979 151 G CA 0.101 45.234 45.100 0.055 0.000 0.641 151 G HN 0.631 nan 8.290 nan 0.000 0.530 152 L N 1.001 122.235 121.223 0.020 0.000 2.295 152 L HA 0.323 4.663 4.340 -0.000 0.000 0.288 152 L C 1.842 178.720 176.870 0.014 0.000 1.079 152 L CA -0.551 54.293 54.840 0.007 0.000 0.830 152 L CB 0.928 42.986 42.059 -0.002 0.000 1.200 152 L HN 0.106 nan 8.230 nan 0.000 0.438 153 K N 2.519 122.928 120.400 0.016 0.000 2.077 153 K HA -0.282 4.038 4.320 -0.000 0.000 0.213 153 K C 2.019 178.632 176.600 0.021 0.000 1.051 153 K CA 1.973 58.274 56.287 0.023 0.000 0.929 153 K CB -0.140 32.375 32.500 0.026 0.000 0.715 153 K HN 0.808 nan 8.250 nan 0.000 0.451 154 A N 0.674 123.502 122.820 0.013 0.000 1.930 154 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 154 A C 2.362 179.957 177.584 0.018 0.000 1.175 154 A CA 1.419 53.465 52.037 0.015 0.000 0.627 154 A CB -0.435 18.569 19.000 0.006 0.000 0.815 154 A HN 0.095 nan 8.150 nan 0.000 0.443 155 V N 0.361 120.283 119.914 0.014 0.000 2.346 155 V HA -0.159 3.961 4.120 -0.000 0.000 0.244 155 V C 2.045 178.149 176.094 0.017 0.000 1.037 155 V CA 2.089 64.398 62.300 0.015 0.000 1.029 155 V CB -0.685 31.145 31.823 0.010 0.000 0.663 155 V HN 0.471 nan 8.190 nan 0.000 0.454 156 D N 0.511 120.921 120.400 0.018 0.000 2.178 156 D HA -0.059 4.581 4.640 -0.000 0.000 0.202 156 D C 2.129 178.442 176.300 0.021 0.000 0.974 156 D CA 1.504 55.515 54.000 0.018 0.000 0.841 156 D CB -0.150 40.664 40.800 0.023 0.000 0.953 156 D HN 0.439 nan 8.370 nan 0.000 0.478 157 A N 0.031 122.866 122.820 0.026 0.000 1.930 157 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 157 A C 2.194 179.796 177.584 0.030 0.000 1.176 157 A CA 0.757 52.812 52.037 0.029 0.000 0.632 157 A CB -0.201 18.817 19.000 0.031 0.000 0.819 157 A HN 0.186 nan 8.150 nan 0.000 0.445 158 L N -1.151 120.090 121.223 0.031 0.000 2.445 158 L HA 0.151 4.491 4.340 -0.000 0.000 0.207 158 L C 0.308 177.197 176.870 0.032 0.000 1.053 158 L CA 0.424 55.285 54.840 0.036 0.000 0.841 158 L CB 0.300 42.384 42.059 0.042 0.000 1.074 158 L HN 0.197 nan 8.230 nan 0.000 0.479 159 V N -2.144 117.787 119.914 0.027 0.000 2.361 159 V HA 0.443 4.563 4.120 -0.000 0.000 0.252 159 V C -2.790 173.313 176.094 0.016 0.000 0.986 159 V CA -1.947 60.368 62.300 0.024 0.000 1.033 159 V CB -0.145 31.696 31.823 0.030 0.000 1.282 159 V HN -0.067 nan 8.190 nan 0.000 0.514 160 P HA 0.395 nan 4.420 nan 0.000 0.268 160 P C -0.333 176.963 177.300 -0.007 0.000 1.205 160 P CA 0.315 63.415 63.100 0.001 0.000 0.771 160 P CB 0.871 32.571 31.700 -0.000 0.000 0.858 161 I N 1.639 122.198 120.570 -0.019 0.000 2.404 161 I HA 0.559 4.729 4.170 -0.000 0.000 0.293 161 I C 0.940 177.025 176.117 -0.053 0.000 0.992 161 I CA -0.375 60.910 61.300 -0.027 0.000 1.149 161 I CB 2.053 40.040 38.000 -0.022 0.000 1.315 161 I HN 0.347 nan 8.210 nan 0.000 0.446 162 G N 3.782 112.549 108.800 -0.055 0.000 2.667 162 G HA2 0.602 4.562 3.960 -0.000 0.000 0.310 162 G HA3 0.602 4.562 3.960 -0.000 0.000 0.310 162 G C -0.757 174.085 174.900 -0.097 0.000 1.259 162 G CA -0.845 44.202 45.100 -0.090 0.000 1.019 162 G HN 0.438 nan 8.290 nan 0.000 0.496 163 R N -0.318 120.095 120.500 -0.145 0.000 2.345 163 R HA 0.457 4.797 4.340 -0.000 0.000 0.331 163 R C 1.108 177.377 176.300 -0.052 0.000 1.067 163 R CA 1.345 57.371 56.100 -0.122 0.000 0.962 163 R CB 0.447 30.617 30.300 -0.218 0.000 0.987 163 R HN 1.243 nan 8.270 nan 0.000 0.451 164 G N 1.745 110.538 108.800 -0.011 0.000 2.179 164 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 164 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 164 G C 0.129 175.034 174.900 0.008 0.000 0.990 164 G CA -0.061 45.047 45.100 0.012 0.000 0.646 164 G HN 0.570 nan 8.290 nan 0.000 0.517 165 Q N -0.123 119.675 119.800 -0.004 0.000 2.312 165 Q HA 0.686 5.026 4.340 -0.000 0.000 0.236 165 Q C 0.099 176.104 176.000 0.008 0.000 0.965 165 Q CA -0.472 55.331 55.803 0.000 0.000 0.894 165 Q CB 0.448 29.180 28.738 -0.009 0.000 1.225 165 Q HN 0.372 nan 8.270 nan 0.000 0.478 166 R N 1.937 122.443 120.500 0.011 0.000 2.388 166 R HA 0.284 4.624 4.340 -0.000 0.000 0.314 166 R C -1.456 174.849 176.300 0.008 0.000 0.959 166 R CA -0.515 55.593 56.100 0.014 0.000 0.851 166 R CB 1.578 31.884 30.300 0.010 0.000 1.168 166 R HN 0.442 nan 8.270 nan 0.000 0.472 167 E N 2.778 122.983 120.200 0.009 0.000 2.176 167 E HA 0.274 4.624 4.350 -0.000 0.000 0.267 167 E C -1.473 175.133 176.600 0.009 0.000 0.893 167 E CA -0.925 55.480 56.400 0.009 0.000 0.761 167 E CB 1.137 30.842 29.700 0.008 0.000 1.133 167 E HN 0.307 nan 8.360 nan 0.000 0.409 168 L N 5.613 126.840 121.223 0.008 0.000 2.305 168 L HA 0.474 4.814 4.340 -0.000 0.000 0.281 168 L C -0.929 175.956 176.870 0.025 0.000 1.085 168 L CA 0.035 54.878 54.840 0.004 0.000 0.813 168 L CB 0.576 42.630 42.059 -0.008 0.000 1.157 168 L HN 0.627 nan 8.230 nan 0.000 0.436 169 I N 6.824 127.409 120.570 0.024 0.000 2.321 169 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 169 I C -0.321 175.829 176.117 0.055 0.000 0.998 169 I CA -0.269 61.055 61.300 0.041 0.000 1.227 169 I CB 1.311 39.328 38.000 0.029 0.000 1.368 169 I HN 0.558 nan 8.210 nan 0.000 0.466 170 I N 5.079 125.713 120.570 0.107 0.000 2.692 170 I HA 0.859 5.029 4.170 -0.000 0.000 0.293 170 I C -0.576 175.697 176.117 0.260 0.000 1.200 170 I CA 0.021 61.417 61.300 0.160 0.000 1.036 170 I CB 2.123 40.213 38.000 0.150 0.000 1.258 170 I HN 0.738 nan 8.210 nan 0.000 0.421 171 G N 4.935 113.861 108.800 0.210 0.000 2.313 171 G HA2 0.175 4.135 3.960 -0.000 0.000 0.296 171 G HA3 0.175 4.135 3.960 -0.000 0.000 0.296 171 G C -1.958 172.999 174.900 0.094 0.000 1.356 171 G CA -0.749 44.436 45.100 0.142 0.000 0.833 171 G HN 0.525 nan 8.290 nan 0.000 0.552 172 D N 0.290 120.716 120.400 0.043 0.000 2.369 172 D HA 0.367 5.007 4.640 -0.000 0.000 0.241 172 D C 1.271 177.567 176.300 -0.006 0.000 1.271 172 D CA -0.106 53.912 54.000 0.030 0.000 0.942 172 D CB 0.398 41.206 40.800 0.013 0.000 1.129 172 D HN 0.681 nan 8.370 nan 0.000 0.476 173 R N 0.661 121.160 120.500 -0.002 0.000 2.638 173 R HA -0.044 4.296 4.340 -0.000 0.000 0.268 173 R C -0.213 176.046 176.300 -0.070 0.000 1.006 173 R CA -0.094 55.995 56.100 -0.019 0.000 1.088 173 R CB -0.064 30.234 30.300 -0.003 0.000 0.950 173 R HN 0.217 nan 8.270 nan 0.000 0.419 174 Q N 0.366 120.116 119.800 -0.083 0.000 2.452 174 Q HA -0.164 4.176 4.340 -0.000 0.000 0.318 174 Q C 0.172 175.995 176.000 -0.294 0.000 1.386 174 Q CA 1.681 57.387 55.803 -0.161 0.000 0.872 174 Q CB -1.602 27.040 28.738 -0.160 0.000 1.151 174 Q HN 1.026 nan 8.270 nan 0.000 0.417 175 T N -5.445 108.989 114.554 -0.199 0.000 2.975 175 T HA 0.447 4.797 4.350 -0.000 0.000 0.257 175 T C 1.115 175.792 174.700 -0.037 0.000 1.003 175 T CA 0.756 62.737 62.100 -0.198 0.000 0.932 175 T CB 1.149 69.930 68.868 -0.146 0.000 1.087 175 T HN 0.889 nan 8.240 nan 0.000 0.512 176 G N 1.599 110.387 108.800 -0.020 0.000 2.141 176 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.164 176 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.164 176 G C 0.648 175.554 174.900 0.009 0.000 1.009 176 G CA 0.164 45.287 45.100 0.039 0.000 0.677 176 G HN 0.443 nan 8.290 nan 0.000 0.508 177 K N -0.344 120.057 120.400 0.003 0.000 1.984 177 K HA -0.041 4.279 4.320 -0.000 0.000 0.209 177 K C 2.587 179.203 176.600 0.027 0.000 1.046 177 K CA 1.863 58.159 56.287 0.014 0.000 0.934 177 K CB -0.324 32.188 32.500 0.019 0.000 0.717 177 K HN 0.278 nan 8.250 nan 0.000 0.438 178 T N 1.365 115.943 114.554 0.041 0.000 2.746 178 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 178 T C 1.972 176.687 174.700 0.024 0.000 1.039 178 T CA 1.346 63.491 62.100 0.075 0.000 1.142 178 T CB -0.340 68.589 68.868 0.101 0.000 0.866 178 T HN 0.344 nan 8.240 nan 0.000 0.444 179 A N 0.971 123.778 122.820 -0.023 0.000 1.958 179 A HA -0.146 4.174 4.320 -0.000 0.000 0.221 179 A C 2.577 180.112 177.584 -0.082 0.000 1.178 179 A CA 1.816 53.797 52.037 -0.095 0.000 0.642 179 A CB -1.159 17.776 19.000 -0.108 0.000 0.816 179 A HN 0.385 nan 8.150 nan 0.000 0.453 180 V N -0.576 119.317 119.914 -0.035 0.000 2.307 180 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 180 V C 3.044 179.134 176.094 -0.006 0.000 1.045 180 V CA 1.873 64.159 62.300 -0.024 0.000 1.024 180 V CB -1.239 30.580 31.823 -0.007 0.000 0.651 180 V HN 0.662 nan 8.190 nan 0.000 0.449 181 A N -0.081 122.752 122.820 0.021 0.000 1.851 181 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 181 A C 2.193 179.797 177.584 0.033 0.000 1.195 181 A CA 2.289 54.355 52.037 0.048 0.000 0.622 181 A CB -0.810 18.256 19.000 0.109 0.000 0.831 181 A HN 0.435 nan 8.150 nan 0.000 0.444 182 L N -0.018 121.210 121.223 0.008 0.000 2.043 182 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 182 L C 1.813 178.656 176.870 -0.045 0.000 1.075 182 L CA 2.593 57.409 54.840 -0.038 0.000 0.752 182 L CB -0.534 41.483 42.059 -0.071 0.000 0.891 182 L HN 0.395 nan 8.230 nan 0.000 0.432 183 D N -1.450 118.909 120.400 -0.068 0.000 2.144 183 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 183 D C 2.059 178.355 176.300 -0.005 0.000 0.978 183 D CA 1.762 55.724 54.000 -0.063 0.000 0.833 183 D CB -0.142 40.603 40.800 -0.092 0.000 0.961 183 D HN 0.404 nan 8.370 nan 0.000 0.470 184 T N 1.266 115.827 114.554 0.010 0.000 2.746 184 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 184 T C 2.232 176.975 174.700 0.073 0.000 1.039 184 T CA 0.555 62.678 62.100 0.039 0.000 1.142 184 T CB -0.059 68.826 68.868 0.029 0.000 0.866 184 T HN 0.177 nan 8.240 nan 0.000 0.444 185 I N 0.716 121.330 120.570 0.073 0.000 2.202 185 I HA -0.117 4.053 4.170 -0.000 0.000 0.242 185 I C 2.362 178.591 176.117 0.186 0.000 1.091 185 I CA 1.151 62.532 61.300 0.135 0.000 1.368 185 I CB -0.446 37.602 38.000 0.081 0.000 1.058 185 I HN 0.202 nan 8.210 nan 0.000 0.410 186 L N 0.541 121.815 121.223 0.086 0.000 2.043 186 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 186 L C 2.337 179.274 176.870 0.113 0.000 1.075 186 L CA 1.762 56.650 54.840 0.080 0.000 0.752 186 L CB -0.949 41.084 42.059 -0.043 0.000 0.891 186 L HN 0.366 nan 8.230 nan 0.000 0.432 187 N N -0.191 118.559 118.700 0.084 0.000 2.205 187 N HA -0.203 4.536 4.740 -0.000 0.000 0.186 187 N C 1.767 177.322 175.510 0.074 0.000 1.015 187 N CA 1.005 54.096 53.050 0.068 0.000 0.862 187 N CB 0.005 38.554 38.487 0.104 0.000 0.986 187 N HN 0.231 nan 8.380 nan 0.000 0.429 188 Q N 0.332 120.210 119.800 0.130 0.000 2.508 188 Q HA -0.088 4.252 4.340 -0.000 0.000 0.214 188 Q C 1.526 177.405 176.000 -0.201 0.000 0.979 188 Q CA 0.582 56.432 55.803 0.078 0.000 0.911 188 Q CB -0.211 28.470 28.738 -0.095 0.000 0.969 188 Q HN 0.460 nan 8.270 nan 0.000 0.504 189 K N 0.740 121.043 120.400 -0.162 0.000 2.160 189 K HA -0.146 4.173 4.320 -0.000 0.000 0.206 189 K C 1.925 178.340 176.600 -0.310 0.000 1.047 189 K CA 1.038 57.221 56.287 -0.173 0.000 0.930 189 K CB 0.076 32.559 32.500 -0.028 0.000 0.720 189 K HN 0.194 nan 8.250 nan 0.000 0.450 190 R N -0.954 119.210 120.500 -0.560 0.000 2.152 190 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 190 R C 1.489 177.236 176.300 -0.921 0.000 1.117 190 R CA 1.359 56.881 56.100 -0.962 0.000 0.981 190 R CB -0.051 29.200 30.300 -1.748 0.000 0.870 190 R HN 0.417 nan 8.270 nan 0.000 0.451 191 W N -0.713 120.487 121.300 -0.168 0.000 2.904 191 W HA 0.218 4.878 4.660 -0.000 0.000 0.265 191 W C 1.113 177.512 176.519 -0.200 0.000 1.138 191 W CA -0.615 56.634 57.345 -0.160 0.000 1.455 191 W CB -0.344 29.022 29.460 -0.158 0.000 0.924 191 W HN 0.025 nan 8.180 nan 0.000 0.619 192 N N 1.374 120.012 118.700 -0.103 0.000 2.381 192 N HA -0.119 4.621 4.740 -0.000 0.000 0.182 192 N C 1.006 176.439 175.510 -0.129 0.000 1.025 192 N CA 0.969 53.863 53.050 -0.260 0.000 0.888 192 N CB -0.542 37.550 38.487 -0.658 0.000 0.965 192 N HN 0.117 nan 8.380 nan 0.000 0.438 193 N N 0.069 118.707 118.700 -0.104 0.000 2.398 193 N HA 0.046 4.785 4.740 -0.000 0.000 0.188 193 N C 0.940 176.432 175.510 -0.031 0.000 1.122 193 N CA 0.130 53.148 53.050 -0.053 0.000 0.866 193 N CB 0.247 38.694 38.487 -0.066 0.000 0.970 193 N HN 0.162 nan 8.380 nan 0.000 0.462 194 G N -0.589 108.199 108.800 -0.020 0.000 2.543 194 G HA2 0.288 4.248 3.960 -0.000 0.000 0.290 194 G HA3 0.288 4.248 3.960 -0.000 0.000 0.290 194 G C 0.671 175.591 174.900 0.034 0.000 1.310 194 G CA -0.298 44.808 45.100 0.010 0.000 1.025 194 G HN 0.091 nan 8.290 nan 0.000 0.502 195 S N -0.848 114.878 115.700 0.043 0.000 2.404 195 S HA 0.013 4.483 4.470 -0.000 0.000 0.223 195 S C 0.892 175.534 174.600 0.070 0.000 1.040 195 S CA 0.198 58.430 58.200 0.054 0.000 0.957 195 S CB -0.055 63.171 63.200 0.044 0.000 0.826 195 S HN 0.630 nan 8.310 nan 0.000 0.491 196 D N 2.604 123.046 120.400 0.069 0.000 2.356 196 D HA -0.000 4.640 4.640 -0.000 0.000 0.272 196 D C 0.915 177.269 176.300 0.091 0.000 1.337 196 D CA 0.193 54.238 54.000 0.074 0.000 0.970 196 D CB 0.289 41.130 40.800 0.067 0.000 1.092 196 D HN 0.156 nan 8.370 nan 0.000 0.516 197 E N 1.693 121.959 120.200 0.110 0.000 2.204 197 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 197 E C 1.694 178.398 176.600 0.174 0.000 0.990 197 E CA 0.723 57.217 56.400 0.158 0.000 0.821 197 E CB 0.154 29.958 29.700 0.173 0.000 0.750 197 E HN 0.532 nan 8.360 nan 0.000 0.477 198 S N 1.004 116.787 115.700 0.137 0.000 2.423 198 S HA -0.036 4.434 4.470 -0.000 0.000 0.231 198 S C 1.686 176.318 174.600 0.053 0.000 1.014 198 S CA 0.636 58.937 58.200 0.168 0.000 0.965 198 S CB -0.001 63.267 63.200 0.112 0.000 0.785 198 S HN 0.144 nan 8.310 nan 0.000 0.495 199 K N 1.488 121.880 120.400 -0.014 0.000 2.243 199 K HA 0.166 4.486 4.320 -0.000 0.000 0.201 199 K C 0.424 176.911 176.600 -0.190 0.000 1.051 199 K CA 0.308 56.493 56.287 -0.171 0.000 0.970 199 K CB -0.051 32.391 32.500 -0.097 0.000 0.755 199 K HN 0.398 nan 8.250 nan 0.000 0.465 200 K N 1.370 121.749 120.400 -0.034 0.000 2.469 200 K HA 0.048 4.367 4.320 -0.000 0.000 0.274 200 K C -0.258 176.255 176.600 -0.144 0.000 0.983 200 K CA -0.004 56.221 56.287 -0.102 0.000 0.974 200 K CB 0.363 32.800 32.500 -0.105 0.000 0.913 200 K HN -0.118 nan 8.250 nan 0.000 0.493 201 L N 3.752 124.796 121.223 -0.297 0.000 2.457 201 L HA 0.279 4.619 4.340 -0.000 0.000 0.266 201 L C -1.588 175.112 176.870 -0.283 0.000 0.979 201 L CA -0.357 54.364 54.840 -0.200 0.000 0.857 201 L CB 0.633 42.596 42.059 -0.161 0.000 1.213 201 L HN 0.443 nan 8.230 nan 0.000 0.418 202 Y N 2.772 122.963 120.300 -0.183 0.000 2.301 202 Y HA 0.484 5.034 4.550 -0.000 0.000 0.328 202 Y C 0.371 176.165 175.900 -0.177 0.000 1.242 202 Y CA -0.072 57.879 58.100 -0.249 0.000 1.323 202 Y CB 1.078 39.064 38.460 -0.790 0.000 1.266 202 Y HN 0.484 nan 8.280 nan 0.000 0.527 203 C N 2.617 121.986 119.300 0.115 0.000 2.364 203 C HA 0.574 5.034 4.460 -0.000 0.000 0.324 203 C C -0.565 174.460 174.990 0.057 0.000 1.234 203 C CA -1.229 57.840 59.018 0.085 0.000 1.417 203 C CB 0.126 27.958 27.740 0.153 0.000 2.101 203 C HN 0.517 nan 8.230 nan 0.000 0.466 204 V N 3.875 123.807 119.914 0.030 0.000 2.328 204 V HA 0.277 4.397 4.120 -0.000 0.000 0.278 204 V C -0.696 175.405 176.094 0.012 0.000 1.021 204 V CA -0.479 61.839 62.300 0.030 0.000 0.838 204 V CB 0.777 32.603 31.823 0.006 0.000 0.999 204 V HN 0.807 nan 8.190 nan 0.000 0.447 205 Y N 5.263 125.520 120.300 -0.072 0.000 2.335 205 Y HA 0.625 5.175 4.550 -0.000 0.000 0.339 205 Y C -0.236 175.621 175.900 -0.072 0.000 0.987 205 Y CA -0.630 57.419 58.100 -0.086 0.000 1.140 205 Y CB 1.571 39.997 38.460 -0.056 0.000 1.173 205 Y HN 0.430 nan 8.280 nan 0.000 0.486 206 V N 6.347 125.978 119.914 -0.472 0.000 2.350 206 V HA 0.654 4.774 4.120 -0.000 0.000 0.276 206 V C 0.045 175.903 176.094 -0.393 0.000 1.028 206 V CA -0.731 61.390 62.300 -0.298 0.000 0.860 206 V CB 0.683 32.390 31.823 -0.193 0.000 0.990 206 V HN 0.924 nan 8.190 nan 0.000 0.453 207 A N 5.092 127.833 122.820 -0.133 0.000 2.260 207 A HA 0.790 5.110 4.320 -0.000 0.000 0.308 207 A C -0.543 177.041 177.584 -0.001 0.000 1.254 207 A CA -0.437 51.582 52.037 -0.030 0.000 0.874 207 A CB 0.949 20.039 19.000 0.150 0.000 1.153 207 A HN 0.731 nan 8.150 nan 0.000 0.527 208 V N 2.528 122.441 119.914 -0.003 0.000 2.447 208 V HA 0.615 4.735 4.120 -0.000 0.000 0.292 208 V C 1.051 177.174 176.094 0.048 0.000 1.021 208 V CA 0.447 62.764 62.300 0.028 0.000 0.850 208 V CB 0.745 32.577 31.823 0.015 0.000 1.005 208 V HN 1.889 nan 8.190 nan 0.000 0.426 209 G N 3.977 112.815 108.800 0.063 0.000 2.205 209 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.261 209 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.261 209 G C 0.267 175.204 174.900 0.062 0.000 0.980 209 G CA 0.452 45.592 45.100 0.066 0.000 0.632 209 G HN 0.647 nan 8.290 nan 0.000 0.533 210 Q N 0.687 120.526 119.800 0.066 0.000 2.454 210 Q HA 0.445 4.785 4.340 -0.000 0.000 0.247 210 Q C 0.692 176.731 176.000 0.064 0.000 1.028 210 Q CA 0.363 56.209 55.803 0.071 0.000 0.910 210 Q CB 0.452 29.248 28.738 0.096 0.000 1.276 210 Q HN 0.675 nan 8.270 nan 0.000 0.489 211 K N 0.504 120.938 120.400 0.057 0.000 2.098 211 K HA 0.264 4.584 4.320 -0.000 0.000 0.257 211 K C 0.467 177.096 176.600 0.048 0.000 0.999 211 K CA -0.686 55.630 56.287 0.049 0.000 0.924 211 K CB 1.132 33.656 32.500 0.040 0.000 1.028 211 K HN 0.387 nan 8.250 nan 0.000 0.466 212 R N 0.567 121.092 120.500 0.042 0.000 2.091 212 R HA -0.171 4.169 4.340 -0.000 0.000 0.238 212 R C 2.389 178.708 176.300 0.031 0.000 1.136 212 R CA 2.153 58.275 56.100 0.038 0.000 0.959 212 R CB -0.350 29.970 30.300 0.032 0.000 0.856 212 R HN 0.940 nan 8.270 nan 0.000 0.437 213 S N -0.627 115.089 115.700 0.028 0.000 2.399 213 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 213 S C 1.882 176.495 174.600 0.022 0.000 1.022 213 S CA 1.719 59.932 58.200 0.022 0.000 0.983 213 S CB -0.282 62.930 63.200 0.020 0.000 0.803 213 S HN 0.198 nan 8.310 nan 0.000 0.480 214 T N 2.107 116.679 114.554 0.031 0.000 2.770 214 T HA 0.032 4.382 4.350 -0.000 0.000 0.263 214 T C 1.891 176.607 174.700 0.027 0.000 1.039 214 T CA 1.425 63.545 62.100 0.033 0.000 1.142 214 T CB -0.491 68.405 68.868 0.047 0.000 0.868 214 T HN 0.327 nan 8.240 nan 0.000 0.435 215 V N 1.900 121.839 119.914 0.041 0.000 2.407 215 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 215 V C 2.851 178.946 176.094 0.003 0.000 1.055 215 V CA 1.592 63.914 62.300 0.037 0.000 1.049 215 V CB -1.259 30.608 31.823 0.073 0.000 0.662 215 V HN 0.499 nan 8.190 nan 0.000 0.455 216 A N 0.021 122.845 122.820 0.008 0.000 1.902 216 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 216 A C 2.226 179.802 177.584 -0.013 0.000 1.181 216 A CA 2.080 54.116 52.037 -0.002 0.000 0.623 216 A CB -0.511 18.491 19.000 0.004 0.000 0.818 216 A HN 0.540 nan 8.150 nan 0.000 0.443 217 Q N -0.470 119.325 119.800 -0.008 0.000 2.119 217 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 217 Q C 1.800 177.786 176.000 -0.024 0.000 0.972 217 Q CA 1.716 57.514 55.803 -0.009 0.000 0.847 217 Q CB -0.541 28.200 28.738 0.005 0.000 0.903 217 Q HN 0.517 nan 8.270 nan 0.000 0.433 218 L N -0.726 120.469 121.223 -0.046 0.000 2.046 218 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 218 L C 2.067 178.873 176.870 -0.107 0.000 1.077 218 L CA 1.302 56.079 54.840 -0.104 0.000 0.747 218 L CB -0.397 41.535 42.059 -0.212 0.000 0.896 218 L HN 0.153 nan 8.230 nan 0.000 0.432 219 V N -0.575 119.289 119.914 -0.083 0.000 2.358 219 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 219 V C 2.528 178.590 176.094 -0.054 0.000 1.047 219 V CA 1.953 64.210 62.300 -0.071 0.000 1.035 219 V CB -0.651 31.144 31.823 -0.047 0.000 0.658 219 V HN 0.592 nan 8.190 nan 0.000 0.452 220 Q N -0.196 119.580 119.800 -0.040 0.000 2.112 220 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 220 Q C 2.274 178.254 176.000 -0.033 0.000 0.987 220 Q CA 2.519 58.300 55.803 -0.035 0.000 0.858 220 Q CB -0.227 28.493 28.738 -0.029 0.000 0.905 220 Q HN 0.680 nan 8.270 nan 0.000 0.420 221 T N 1.593 116.134 114.554 -0.022 0.000 2.737 221 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 221 T C 1.913 176.653 174.700 0.068 0.000 1.038 221 T CA 0.998 63.110 62.100 0.021 0.000 1.144 221 T CB -0.232 68.652 68.868 0.027 0.000 0.866 221 T HN 0.245 nan 8.240 nan 0.000 0.434 222 L N 0.625 121.841 121.223 -0.011 0.000 2.079 222 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 222 L C 2.720 179.573 176.870 -0.029 0.000 1.081 222 L CA 1.601 56.416 54.840 -0.041 0.000 0.752 222 L CB -0.562 41.423 42.059 -0.123 0.000 0.896 222 L HN 0.387 nan 8.230 nan 0.000 0.433 223 E N -0.339 119.837 120.200 -0.040 0.000 2.051 223 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 223 E C 2.237 178.809 176.600 -0.047 0.000 0.991 223 E CA 1.183 57.555 56.400 -0.046 0.000 0.799 223 E CB -0.019 29.653 29.700 -0.047 0.000 0.748 223 E HN 0.500 nan 8.360 nan 0.000 0.449 224 Q N -0.365 119.398 119.800 -0.062 0.000 2.135 224 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 224 Q C 1.621 177.484 176.000 -0.228 0.000 0.981 224 Q CA 1.086 56.796 55.803 -0.154 0.000 0.856 224 Q CB -0.050 28.558 28.738 -0.217 0.000 0.902 224 Q HN 0.470 nan 8.270 nan 0.000 0.425 225 H N -0.297 118.732 119.070 -0.069 0.000 2.539 225 H HA 0.002 4.558 4.556 -0.000 0.000 0.269 225 H C -0.037 175.277 175.328 -0.025 0.000 0.980 225 H CA 0.455 56.478 56.048 -0.042 0.000 1.152 225 H CB 0.392 30.140 29.762 -0.023 0.000 1.407 225 H HN 0.234 nan 8.280 nan 0.000 0.564 226 D N 0.407 120.828 120.400 0.034 0.000 2.699 226 D HA -0.179 4.461 4.640 -0.000 0.000 0.239 226 D C 0.782 177.093 176.300 0.019 0.000 1.136 226 D CA 0.674 54.684 54.000 0.016 0.000 0.668 226 D CB -1.138 39.678 40.800 0.026 0.000 1.060 226 D HN 0.506 nan 8.370 nan 0.000 0.429 227 A N -0.395 122.363 122.820 -0.104 0.000 2.324 227 A HA 0.199 4.519 4.320 -0.000 0.000 0.220 227 A C 1.815 178.965 177.584 -0.724 0.000 1.209 227 A CA 0.753 52.516 52.037 -0.458 0.000 0.918 227 A CB 0.029 18.890 19.000 -0.232 0.000 0.959 227 A HN 0.279 nan 8.150 nan 0.000 0.507 228 M N 1.381 120.782 119.600 -0.332 0.000 2.296 228 M HA -0.076 4.404 4.480 -0.000 0.000 0.265 228 M C 1.888 178.064 176.300 -0.207 0.000 1.064 228 M CA 1.855 57.010 55.300 -0.241 0.000 1.109 228 M CB -0.557 31.969 32.600 -0.123 0.000 1.396 228 M HN 0.488 nan 8.290 nan 0.000 0.430 229 K N -0.432 119.866 120.400 -0.170 0.000 2.211 229 K HA -0.170 4.150 4.320 -0.000 0.000 0.203 229 K C 0.740 177.391 176.600 0.084 0.000 1.050 229 K CA 1.654 57.934 56.287 -0.012 0.000 0.945 229 K CB -0.840 31.697 32.500 0.062 0.000 0.732 229 K HN 0.589 nan 8.250 nan 0.000 0.451 230 Y N -0.621 119.710 120.300 0.050 0.000 2.658 230 Y HA 0.523 5.073 4.550 -0.000 0.000 0.276 230 Y C -0.288 175.660 175.900 0.081 0.000 1.167 230 Y CA -1.114 57.035 58.100 0.080 0.000 1.230 230 Y CB 0.308 38.724 38.460 -0.074 0.000 1.144 230 Y HN -0.145 nan 8.280 nan 0.000 0.529 231 S N 1.285 116.930 115.700 -0.090 0.000 2.503 231 S HA 0.711 5.181 4.470 -0.000 0.000 0.301 231 S C -0.792 173.818 174.600 0.016 0.000 1.087 231 S CA -0.658 57.503 58.200 -0.065 0.000 1.042 231 S CB 1.175 64.260 63.200 -0.191 0.000 1.043 231 S HN 0.319 nan 8.310 nan 0.000 0.489 232 I N 3.844 124.446 120.570 0.053 0.000 2.418 232 I HA 0.401 4.571 4.170 -0.000 0.000 0.287 232 I C -0.845 175.314 176.117 0.070 0.000 1.008 232 I CA -0.627 60.711 61.300 0.064 0.000 1.104 232 I CB 1.395 39.454 38.000 0.097 0.000 1.264 232 I HN 0.374 nan 8.210 nan 0.000 0.438 233 I N 6.962 127.569 120.570 0.063 0.000 2.342 233 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 233 I C 0.038 176.201 176.117 0.077 0.000 1.010 233 I CA -0.714 60.647 61.300 0.102 0.000 1.308 233 I CB 1.327 39.377 38.000 0.083 0.000 1.400 233 I HN 0.171 nan 8.210 nan 0.000 0.488 234 V N 6.020 125.979 119.914 0.075 0.000 2.378 234 V HA 0.674 4.794 4.120 -0.000 0.000 0.288 234 V C 0.247 176.369 176.094 0.047 0.000 1.016 234 V CA -0.561 61.764 62.300 0.043 0.000 0.840 234 V CB 1.505 33.342 31.823 0.022 0.000 0.994 234 V HN 0.888 nan 8.190 nan 0.000 0.431 235 A N 4.461 127.311 122.820 0.050 0.000 2.319 235 A HA 0.896 5.216 4.320 -0.000 0.000 0.310 235 A C -0.059 177.556 177.584 0.052 0.000 1.152 235 A CA -0.341 51.732 52.037 0.060 0.000 0.783 235 A CB 1.387 20.428 19.000 0.068 0.000 1.184 235 A HN 1.243 nan 8.150 nan 0.000 0.474 236 A N 3.066 125.919 122.820 0.056 0.000 2.586 236 A HA 0.633 4.953 4.320 -0.000 0.000 0.320 236 A C 0.527 178.154 177.584 0.070 0.000 1.281 236 A CA 0.119 52.196 52.037 0.068 0.000 0.775 236 A CB -0.267 18.782 19.000 0.081 0.000 1.122 236 A HN 1.307 nan 8.150 nan 0.000 0.470 237 T N -0.929 113.665 114.554 0.067 0.000 2.793 237 T HA 0.549 4.899 4.350 -0.000 0.000 0.299 237 T C 1.624 176.363 174.700 0.065 0.000 1.038 237 T CA 0.181 62.319 62.100 0.064 0.000 0.948 237 T CB 0.625 69.527 68.868 0.057 0.000 1.231 237 T HN 1.042 nan 8.240 nan 0.000 0.538 238 A N 0.795 123.650 122.820 0.059 0.000 1.883 238 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 238 A C 2.560 180.176 177.584 0.054 0.000 1.186 238 A CA 2.263 54.333 52.037 0.056 0.000 0.624 238 A CB -1.482 17.548 19.000 0.049 0.000 0.822 238 A HN 1.188 nan 8.150 nan 0.000 0.444 239 S N -0.229 115.500 115.700 0.048 0.000 2.603 239 S HA 0.077 4.547 4.470 -0.000 0.000 0.220 239 S C 0.313 174.943 174.600 0.050 0.000 0.967 239 S CA -0.094 58.132 58.200 0.043 0.000 0.920 239 S CB -0.312 62.910 63.200 0.036 0.000 0.773 239 S HN 0.590 nan 8.310 nan 0.000 0.529 240 E N 1.470 121.707 120.200 0.062 0.000 2.313 240 E HA 0.547 4.897 4.350 -0.000 0.000 0.272 240 E C 0.117 176.769 176.600 0.087 0.000 1.038 240 E CA -0.422 56.023 56.400 0.075 0.000 0.863 240 E CB 1.257 31.009 29.700 0.086 0.000 1.060 240 E HN 0.470 nan 8.360 nan 0.000 0.402 241 A N 1.981 124.856 122.820 0.092 0.000 2.561 241 A HA 0.114 4.434 4.320 -0.000 0.000 0.234 241 A C 1.301 178.959 177.584 0.122 0.000 1.055 241 A CA 0.750 52.840 52.037 0.088 0.000 0.756 241 A CB 0.242 19.293 19.000 0.085 0.000 0.986 241 A HN 0.832 nan 8.150 nan 0.000 0.505 242 A N 3.232 126.112 122.820 0.100 0.000 1.948 242 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 242 A C -0.258 177.449 177.584 0.207 0.000 1.177 242 A CA 2.057 54.175 52.037 0.136 0.000 0.636 242 A CB -1.515 17.543 19.000 0.096 0.000 0.815 242 A HN 0.646 nan 8.150 nan 0.000 0.449 243 P HA -0.044 nan 4.420 nan 0.000 0.226 243 P C 1.259 178.869 177.300 0.516 0.000 1.153 243 P CA 0.613 63.876 63.100 0.271 0.000 0.777 243 P CB -0.038 31.657 31.700 -0.008 0.000 0.794 244 L N -1.072 120.400 121.223 0.415 0.000 2.095 244 L HA -0.121 4.219 4.340 -0.000 0.000 0.204 244 L C 2.578 179.593 176.870 0.241 0.000 1.080 244 L CA 1.378 56.413 54.840 0.325 0.000 0.759 244 L CB -0.815 41.385 42.059 0.234 0.000 0.914 244 L HN -0.045 nan 8.230 nan 0.000 0.439 245 Q N -0.915 119.020 119.800 0.225 0.000 2.084 245 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 245 Q C 2.100 178.229 176.000 0.216 0.000 0.978 245 Q CA 1.975 57.888 55.803 0.183 0.000 0.844 245 Q CB -0.239 28.600 28.738 0.167 0.000 0.898 245 Q HN 0.527 nan 8.270 nan 0.000 0.426 246 Y N 0.385 120.792 120.300 0.178 0.000 2.293 246 Y HA -0.198 4.352 4.550 -0.000 0.000 0.291 246 Y C 1.830 177.890 175.900 0.267 0.000 1.137 246 Y CA 0.791 59.018 58.100 0.211 0.000 1.202 246 Y CB 0.056 38.666 38.460 0.249 0.000 0.990 246 Y HN 0.059 nan 8.280 nan 0.000 0.537 247 L N 0.521 121.948 121.223 0.340 0.000 2.131 247 L HA 0.108 4.448 4.340 -0.000 0.000 0.206 247 L C 2.583 179.521 176.870 0.112 0.000 1.087 247 L CA 1.602 56.595 54.840 0.254 0.000 0.767 247 L CB -1.311 40.946 42.059 0.330 0.000 0.917 247 L HN 0.318 nan 8.230 nan 0.000 0.441 248 A N 0.646 123.508 122.820 0.071 0.000 1.881 248 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 248 A C -0.021 177.554 177.584 -0.015 0.000 1.215 248 A CA 2.503 54.556 52.037 0.028 0.000 0.648 248 A CB -2.160 16.857 19.000 0.029 0.000 0.832 248 A HN 0.391 nan 8.150 nan 0.000 0.455 249 P HA -0.087 nan 4.420 nan 0.000 0.218 249 P C 0.925 178.082 177.300 -0.240 0.000 1.149 249 P CA 0.973 63.974 63.100 -0.164 0.000 0.817 249 P CB -0.147 31.250 31.700 -0.505 0.000 0.785 250 F N -0.315 119.570 119.950 -0.110 0.000 2.206 250 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 250 F C 2.382 178.166 175.800 -0.028 0.000 1.090 250 F CA 1.770 59.705 58.000 -0.108 0.000 1.323 250 F CB -1.879 37.002 39.000 -0.199 0.000 1.028 250 F HN -0.026 nan 8.300 nan 0.000 0.492 251 T N -2.345 112.295 114.554 0.143 0.000 2.942 251 T HA 0.079 4.429 4.350 -0.000 0.000 0.265 251 T C 2.164 176.908 174.700 0.074 0.000 1.062 251 T CA 0.750 62.904 62.100 0.090 0.000 1.139 251 T CB -0.703 68.194 68.868 0.049 0.000 0.883 251 T HN 0.148 nan 8.240 nan 0.000 0.468 252 A N 1.875 124.736 122.820 0.068 0.000 1.930 252 A HA 0.383 4.703 4.320 -0.000 0.000 0.217 252 A C 2.789 180.426 177.584 0.087 0.000 1.175 252 A CA 1.639 53.711 52.037 0.059 0.000 0.627 252 A CB -1.353 17.658 19.000 0.019 0.000 0.815 252 A HN 0.700 nan 8.150 nan 0.000 0.443 253 A N -0.425 122.472 122.820 0.128 0.000 1.883 253 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 253 A C 2.457 180.119 177.584 0.131 0.000 1.186 253 A CA 2.212 54.340 52.037 0.152 0.000 0.624 253 A CB -1.069 18.030 19.000 0.165 0.000 0.822 253 A HN 0.441 nan 8.150 nan 0.000 0.444 254 S N -0.359 115.411 115.700 0.116 0.000 2.365 254 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 254 S C 1.815 176.484 174.600 0.115 0.000 1.039 254 S CA 1.658 59.920 58.200 0.103 0.000 1.033 254 S CB -0.545 62.704 63.200 0.080 0.000 0.887 254 S HN 0.521 nan 8.310 nan 0.000 0.447 255 I N 1.059 121.693 120.570 0.107 0.000 2.163 255 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 255 I C 2.623 178.885 176.117 0.242 0.000 1.085 255 I CA 1.283 62.653 61.300 0.116 0.000 1.347 255 I CB -0.726 37.332 38.000 0.097 0.000 1.044 255 I HN 0.382 nan 8.210 nan 0.000 0.408 256 G N -0.204 108.758 108.800 0.270 0.000 2.418 256 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 256 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 256 G C 1.482 176.605 174.900 0.371 0.000 1.158 256 G CA 0.400 45.736 45.100 0.394 0.000 0.771 256 G HN 0.394 nan 8.290 nan 0.000 0.545 257 E N -0.777 119.553 120.200 0.216 0.000 2.396 257 E HA -0.163 4.187 4.350 -0.000 0.000 0.200 257 E C 1.842 178.505 176.600 0.104 0.000 1.023 257 E CA 0.411 56.896 56.400 0.141 0.000 0.857 257 E CB -0.155 29.603 29.700 0.097 0.000 0.775 257 E HN 0.737 nan 8.360 nan 0.000 0.525 258 W N -0.008 121.237 121.300 -0.091 0.000 2.409 258 W HA -0.145 4.515 4.660 -0.000 0.000 0.299 258 W C 1.345 177.686 176.519 -0.296 0.000 1.203 258 W CA 1.132 58.321 57.345 -0.259 0.000 1.298 258 W CB -0.200 28.994 29.460 -0.443 0.000 1.127 258 W HN -0.030 nan 8.180 nan 0.000 0.528 259 F N 0.465 120.538 119.950 0.204 0.000 2.075 259 F HA -0.122 4.405 4.527 -0.000 0.000 0.297 259 F C 2.739 178.431 175.800 -0.179 0.000 1.113 259 F CA 2.110 60.113 58.000 0.005 0.000 1.218 259 F CB -1.451 37.611 39.000 0.103 0.000 0.984 259 F HN -0.242 nan 8.300 nan 0.000 0.472 260 R N 0.691 121.251 120.500 0.101 0.000 2.113 260 R HA -0.216 4.124 4.340 -0.000 0.000 0.244 260 R C 1.362 177.585 176.300 -0.128 0.000 1.142 260 R CA 2.276 58.368 56.100 -0.013 0.000 0.953 260 R CB -0.556 29.765 30.300 0.036 0.000 0.860 260 R HN 0.214 nan 8.270 nan 0.000 0.438 261 D N -0.248 120.038 120.400 -0.191 0.000 2.363 261 D HA -0.027 4.613 4.640 -0.000 0.000 0.226 261 D C 0.207 176.297 176.300 -0.349 0.000 1.020 261 D CA 0.601 54.458 54.000 -0.239 0.000 0.892 261 D CB 0.044 40.711 40.800 -0.222 0.000 0.900 261 D HN 0.257 nan 8.370 nan 0.000 0.531 262 N N -0.384 118.042 118.700 -0.457 0.000 2.365 262 N HA 0.152 4.892 4.740 -0.000 0.000 0.257 262 N C 0.792 176.106 175.510 -0.327 0.000 1.287 262 N CA 0.082 52.829 53.050 -0.506 0.000 0.882 262 N CB 1.580 39.484 38.487 -0.971 0.000 1.250 262 N HN 0.053 nan 8.380 nan 0.000 0.507 263 G N 1.204 109.852 108.800 -0.254 0.000 2.153 263 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.252 263 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.252 263 G C 0.104 174.846 174.900 -0.263 0.000 0.994 263 G CA 0.569 45.540 45.100 -0.215 0.000 0.698 263 G HN 0.310 nan 8.290 nan 0.000 0.521 264 K N -0.334 119.908 120.400 -0.264 0.000 2.238 264 K HA 0.702 5.022 4.320 -0.000 0.000 0.239 264 K C -0.354 176.075 176.600 -0.286 0.000 0.987 264 K CA -0.952 55.247 56.287 -0.146 0.000 0.857 264 K CB 1.111 33.713 32.500 0.171 0.000 1.154 264 K HN 0.320 nan 8.250 nan 0.000 0.439 265 H N 0.097 119.281 119.070 0.190 0.000 2.589 265 H HA 0.490 5.046 4.556 -0.000 0.000 0.335 265 H C -1.008 174.372 175.328 0.087 0.000 1.019 265 H CA -0.737 55.371 56.048 0.099 0.000 1.213 265 H CB 1.783 31.549 29.762 0.007 0.000 1.472 265 H HN 0.669 nan 8.280 nan 0.000 0.508 266 A N 3.340 126.248 122.820 0.147 0.000 2.350 266 A HA 0.673 4.992 4.320 -0.000 0.000 0.318 266 A C -0.830 176.771 177.584 0.030 0.000 1.132 266 A CA -0.815 51.233 52.037 0.017 0.000 0.811 266 A CB 1.661 20.648 19.000 -0.022 0.000 1.313 266 A HN 0.617 nan 8.150 nan 0.000 0.454 267 L N 1.095 122.314 121.223 -0.007 0.000 2.385 267 L HA 0.863 5.203 4.340 -0.000 0.000 0.273 267 L C -1.251 175.587 176.870 -0.053 0.000 0.990 267 L CA -0.513 54.316 54.840 -0.019 0.000 0.821 267 L CB 1.454 43.504 42.059 -0.014 0.000 1.279 267 L HN 0.719 nan 8.230 nan 0.000 0.412 268 I N 4.906 125.403 120.570 -0.121 0.000 2.465 268 I HA 0.585 4.755 4.170 -0.000 0.000 0.291 268 I C -1.274 174.591 176.117 -0.420 0.000 1.014 268 I CA -0.777 60.349 61.300 -0.289 0.000 1.093 268 I CB 1.950 39.713 38.000 -0.394 0.000 1.267 268 I HN 0.496 nan 8.210 nan 0.000 0.431 269 V N 7.948 127.609 119.914 -0.421 0.000 2.357 269 V HA 0.313 4.433 4.120 -0.000 0.000 0.284 269 V C -1.080 174.661 176.094 -0.587 0.000 1.018 269 V CA -0.463 61.609 62.300 -0.379 0.000 0.841 269 V CB 1.017 32.756 31.823 -0.140 0.000 0.991 269 V HN 0.481 nan 8.190 nan 0.000 0.437 270 Y N 2.539 122.697 120.300 -0.236 0.000 2.518 270 Y HA 0.495 5.045 4.550 -0.000 0.000 0.344 270 Y C 0.274 176.014 175.900 -0.267 0.000 0.982 270 Y CA -0.848 57.090 58.100 -0.269 0.000 1.234 270 Y CB 0.873 39.190 38.460 -0.239 0.000 1.114 270 Y HN 0.549 nan 8.280 nan 0.000 0.515 271 D N 3.637 123.899 120.400 -0.229 0.000 2.404 271 D HA 0.212 4.852 4.640 -0.000 0.000 0.267 271 D C -1.414 174.829 176.300 -0.094 0.000 1.194 271 D CA -0.452 53.441 54.000 -0.178 0.000 0.910 271 D CB 0.245 40.879 40.800 -0.277 0.000 1.090 271 D HN 0.677 nan 8.370 nan 0.000 0.511 272 D N 0.211 120.590 120.400 -0.036 0.000 2.552 272 D HA 0.244 4.884 4.640 -0.000 0.000 0.239 272 D C 1.107 177.383 176.300 -0.040 0.000 1.139 272 D CA -0.757 53.222 54.000 -0.035 0.000 0.914 272 D CB 1.119 41.911 40.800 -0.013 0.000 1.461 272 D HN 0.026 nan 8.370 nan 0.000 0.462 273 L N 0.101 121.263 121.223 -0.102 0.000 2.201 273 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 273 L C 1.931 178.789 176.870 -0.019 0.000 1.105 273 L CA 0.780 55.519 54.840 -0.168 0.000 0.775 273 L CB -0.412 41.318 42.059 -0.549 0.000 0.913 273 L HN 0.454 nan 8.230 nan 0.000 0.440 274 S N 0.254 115.946 115.700 -0.012 0.000 2.353 274 S HA -0.228 4.242 4.470 -0.000 0.000 0.222 274 S C 1.972 176.644 174.600 0.121 0.000 1.035 274 S CA 1.560 59.796 58.200 0.060 0.000 1.025 274 S CB -0.078 63.152 63.200 0.050 0.000 0.902 274 S HN 0.359 nan 8.310 nan 0.000 0.440 275 K N 0.862 121.319 120.400 0.095 0.000 2.097 275 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 275 K C 2.465 179.149 176.600 0.140 0.000 1.049 275 K CA 0.929 57.283 56.287 0.111 0.000 0.933 275 K CB -0.141 32.407 32.500 0.080 0.000 0.717 275 K HN 0.330 nan 8.250 nan 0.000 0.442 276 Q N 0.457 120.332 119.800 0.125 0.000 2.084 276 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 276 Q C 2.029 178.170 176.000 0.235 0.000 0.978 276 Q CA 1.645 57.536 55.803 0.146 0.000 0.844 276 Q CB -0.085 28.685 28.738 0.054 0.000 0.898 276 Q HN 0.348 nan 8.270 nan 0.000 0.426 277 A N -0.004 122.966 122.820 0.251 0.000 1.902 277 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 277 A C 2.237 180.078 177.584 0.429 0.000 1.181 277 A CA 1.574 53.786 52.037 0.292 0.000 0.623 277 A CB -0.772 18.328 19.000 0.167 0.000 0.818 277 A HN 0.294 nan 8.150 nan 0.000 0.443 278 V N -0.004 120.131 119.914 0.368 0.000 2.287 278 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 278 V C 3.070 179.291 176.094 0.212 0.000 1.053 278 V CA 2.064 64.528 62.300 0.274 0.000 1.027 278 V CB -1.394 30.543 31.823 0.191 0.000 0.646 278 V HN 0.630 nan 8.190 nan 0.000 0.447 279 A N -0.815 122.144 122.820 0.232 0.000 1.908 279 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 279 A C 2.210 179.971 177.584 0.295 0.000 1.181 279 A CA 2.293 54.470 52.037 0.235 0.000 0.627 279 A CB -0.834 18.322 19.000 0.260 0.000 0.818 279 A HN 0.627 nan 8.150 nan 0.000 0.445 280 Y N 0.436 120.882 120.300 0.243 0.000 2.224 280 Y HA -0.173 4.377 4.550 -0.000 0.000 0.289 280 Y C 2.454 178.436 175.900 0.137 0.000 1.146 280 Y CA 1.785 60.026 58.100 0.236 0.000 1.182 280 Y CB -0.591 38.070 38.460 0.336 0.000 0.983 280 Y HN 0.362 nan 8.280 nan 0.000 0.524 281 R N 0.142 120.682 120.500 0.067 0.000 2.080 281 R HA -0.259 4.081 4.340 -0.000 0.000 0.236 281 R C 2.507 178.744 176.300 -0.104 0.000 1.137 281 R CA 2.106 58.157 56.100 -0.081 0.000 0.943 281 R CB -0.450 29.813 30.300 -0.061 0.000 0.846 281 R HN 0.549 nan 8.270 nan 0.000 0.431 282 Q N 0.572 120.354 119.800 -0.029 0.000 2.002 282 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 282 Q C 2.273 178.241 176.000 -0.052 0.000 0.988 282 Q CA 2.012 57.796 55.803 -0.032 0.000 0.843 282 Q CB -0.291 28.453 28.738 0.010 0.000 0.908 282 Q HN 0.485 nan 8.270 nan 0.000 0.420 283 L N 0.278 121.477 121.223 -0.040 0.000 2.011 283 L HA -0.325 4.015 4.340 -0.000 0.000 0.225 283 L C 2.449 179.250 176.870 -0.114 0.000 1.084 283 L CA 2.237 57.033 54.840 -0.073 0.000 0.791 283 L CB -0.522 41.500 42.059 -0.061 0.000 0.898 283 L HN 0.248 nan 8.230 nan 0.000 0.440 284 S N -0.863 114.725 115.700 -0.186 0.000 2.402 284 S HA -0.062 4.408 4.470 -0.000 0.000 0.229 284 S C 1.763 176.281 174.600 -0.137 0.000 1.021 284 S CA 1.131 59.204 58.200 -0.211 0.000 0.974 284 S CB -0.233 62.723 63.200 -0.407 0.000 0.800 284 S HN 0.388 nan 8.310 nan 0.000 0.484 285 L N 0.618 121.770 121.223 -0.119 0.000 2.240 285 L HA 0.074 4.414 4.340 -0.000 0.000 0.211 285 L C 1.776 178.608 176.870 -0.063 0.000 1.106 285 L CA 0.664 55.453 54.840 -0.084 0.000 0.793 285 L CB -0.250 41.760 42.059 -0.081 0.000 0.927 285 L HN 0.286 nan 8.230 nan 0.000 0.446 286 L N -0.866 120.319 121.223 -0.063 0.000 2.341 286 L HA -0.074 4.266 4.340 -0.000 0.000 0.214 286 L C 1.763 178.606 176.870 -0.045 0.000 1.115 286 L CA 0.478 55.288 54.840 -0.050 0.000 0.820 286 L CB -0.083 41.947 42.059 -0.048 0.000 0.944 286 L HN 0.235 nan 8.230 nan 0.000 0.452 287 L N -0.153 121.038 121.223 -0.053 0.000 2.627 287 L HA 0.111 4.451 4.340 -0.000 0.000 0.232 287 L C 0.641 177.490 176.870 -0.035 0.000 1.150 287 L CA 0.027 54.842 54.840 -0.042 0.000 0.917 287 L CB -0.300 41.731 42.059 -0.046 0.000 1.104 287 L HN 0.252 nan 8.230 nan 0.000 0.445 288 R N 0.111 120.588 120.500 -0.038 0.000 3.741 288 R HA -0.182 4.158 4.340 -0.000 0.000 0.292 288 R C -0.041 176.241 176.300 -0.030 0.000 1.176 288 R CA 0.546 56.627 56.100 -0.032 0.000 0.794 288 R CB -1.626 28.661 30.300 -0.022 0.000 1.213 288 R HN 0.445 nan 8.270 nan 0.000 0.494 289 R N 1.245 121.722 120.500 -0.038 0.000 2.389 289 R HA 0.164 4.504 4.340 -0.000 0.000 0.295 289 R C -2.092 174.188 176.300 -0.032 0.000 1.075 289 R CA -1.638 54.443 56.100 -0.031 0.000 1.005 289 R CB 0.306 30.583 30.300 -0.038 0.000 0.987 289 R HN -0.105 nan 8.270 nan 0.000 0.452 290 P HA 0.056 nan 4.420 nan 0.000 0.267 290 P C -2.197 175.095 177.300 -0.013 0.000 1.205 290 P CA -0.868 62.223 63.100 -0.015 0.000 0.765 290 P CB 0.138 31.834 31.700 -0.006 0.000 0.828 291 P HA 0.221 nan 4.420 nan 0.000 0.277 291 P C 0.184 177.493 177.300 0.015 0.000 1.240 291 P CA -0.090 63.004 63.100 -0.009 0.000 0.798 291 P CB 1.265 32.946 31.700 -0.031 0.000 0.979 292 G N 1.486 110.316 108.800 0.051 0.000 3.271 292 G HA2 0.246 4.206 3.960 -0.000 0.000 0.174 292 G HA3 0.246 4.206 3.960 -0.000 0.000 0.174 292 G C -0.349 174.568 174.900 0.027 0.000 1.385 292 G CA -0.637 44.494 45.100 0.051 0.000 0.979 292 G HN 0.504 nan 8.290 nan 0.000 0.610 293 R N 0.974 121.464 120.500 -0.017 0.000 2.489 293 R HA 0.146 4.486 4.340 -0.000 0.000 0.287 293 R C -0.107 176.220 176.300 0.044 0.000 1.053 293 R CA 0.491 56.503 56.100 -0.146 0.000 1.036 293 R CB -0.136 29.795 30.300 -0.615 0.000 0.966 293 R HN 0.683 nan 8.270 nan 0.000 0.432 294 E N 2.670 122.887 120.200 0.029 0.000 2.360 294 E HA -0.332 4.018 4.350 -0.000 0.000 0.238 294 E C 0.387 176.962 176.600 -0.042 0.000 1.186 294 E CA 0.416 56.860 56.400 0.074 0.000 0.719 294 E CB -1.275 28.577 29.700 0.253 0.000 1.236 294 E HN 0.897 nan 8.360 nan 0.000 0.386 295 A N -2.262 120.532 122.820 -0.044 0.000 3.420 295 A HA -0.339 3.981 4.320 -0.000 0.000 0.269 295 A C 0.340 177.853 177.584 -0.118 0.000 1.122 295 A CA 1.965 53.939 52.037 -0.105 0.000 1.023 295 A CB -1.857 17.047 19.000 -0.161 0.000 1.099 295 A HN 0.472 nan 8.150 nan 0.000 0.860 296 Y N -0.005 120.337 120.300 0.070 0.000 2.385 296 Y HA 0.397 4.947 4.550 -0.000 0.000 0.346 296 Y C -1.434 174.495 175.900 0.048 0.000 1.270 296 Y CA -0.963 57.189 58.100 0.087 0.000 1.472 296 Y CB -0.103 38.490 38.460 0.222 0.000 1.354 296 Y HN 0.161 nan 8.280 nan 0.000 0.611 297 P HA 0.059 nan 4.420 nan 0.000 0.272 297 P C 0.532 177.956 177.300 0.207 0.000 1.240 297 P CA 0.247 63.395 63.100 0.080 0.000 0.791 297 P CB 0.688 32.322 31.700 -0.110 0.000 0.978 298 G N 1.067 109.966 108.800 0.166 0.000 2.443 298 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 298 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 298 G C 0.472 175.519 174.900 0.245 0.000 1.131 298 G CA 0.512 45.723 45.100 0.185 0.000 0.775 298 G HN 0.613 nan 8.290 nan 0.000 0.547 299 D N 0.166 120.739 120.400 0.289 0.000 2.491 299 D HA 0.116 4.756 4.640 -0.000 0.000 0.228 299 D C 1.590 178.124 176.300 0.391 0.000 1.183 299 D CA -0.535 53.677 54.000 0.353 0.000 0.827 299 D CB 0.202 41.213 40.800 0.352 0.000 0.989 299 D HN 0.058 nan 8.370 nan 0.000 0.494 300 V N -0.167 119.955 119.914 0.346 0.000 2.626 300 V HA -0.126 3.994 4.120 -0.000 0.000 0.252 300 V C 1.647 177.765 176.094 0.040 0.000 1.067 300 V CA 1.256 63.683 62.300 0.212 0.000 1.081 300 V CB -0.749 31.164 31.823 0.151 0.000 0.686 300 V HN 0.300 nan 8.190 nan 0.000 0.468 301 F N -0.144 119.821 119.950 0.026 0.000 2.163 301 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 301 F C 2.100 177.947 175.800 0.078 0.000 1.094 301 F CA 2.109 60.120 58.000 0.017 0.000 1.290 301 F CB -0.590 38.444 39.000 0.057 0.000 1.017 301 F HN 0.326 nan 8.300 nan 0.000 0.483 302 Y N 0.717 121.033 120.300 0.027 0.000 2.224 302 Y HA -0.190 4.360 4.550 -0.000 0.000 0.289 302 Y C 2.161 177.960 175.900 -0.168 0.000 1.146 302 Y CA 1.625 59.678 58.100 -0.079 0.000 1.182 302 Y CB -0.845 37.667 38.460 0.088 0.000 0.983 302 Y HN 0.234 nan 8.280 nan 0.000 0.524 303 L N -0.244 120.824 121.223 -0.258 0.000 2.043 303 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 303 L C 2.081 178.735 176.870 -0.359 0.000 1.075 303 L CA 2.416 57.034 54.840 -0.370 0.000 0.752 303 L CB -0.760 41.027 42.059 -0.454 0.000 0.891 303 L HN 0.367 nan 8.230 nan 0.000 0.432 304 H N -2.161 116.699 119.070 -0.349 0.000 2.465 304 H HA 0.014 4.570 4.556 -0.000 0.000 0.289 304 H C 2.358 177.405 175.328 -0.469 0.000 1.022 304 H CA 0.766 56.562 56.048 -0.421 0.000 1.340 304 H CB 0.126 29.662 29.762 -0.377 0.000 1.437 304 H HN 0.518 nan 8.280 nan 0.000 0.539 305 S N 1.572 116.969 115.700 -0.505 0.000 2.368 305 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 305 S C 2.125 176.550 174.600 -0.291 0.000 1.029 305 S CA 1.037 58.940 58.200 -0.494 0.000 0.988 305 S CB -0.165 62.557 63.200 -0.797 0.000 0.838 305 S HN 0.510 nan 8.310 nan 0.000 0.462 306 R N 0.840 121.114 120.500 -0.377 0.000 2.148 306 R HA 0.074 4.414 4.340 -0.000 0.000 0.223 306 R C 2.290 178.505 176.300 -0.142 0.000 1.088 306 R CA 1.139 57.066 56.100 -0.288 0.000 0.985 306 R CB -0.804 29.125 30.300 -0.619 0.000 0.880 306 R HN 0.472 nan 8.270 nan 0.000 0.451 307 L N 1.584 122.730 121.223 -0.129 0.000 1.948 307 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 307 L C 2.302 179.067 176.870 -0.174 0.000 1.074 307 L CA 1.700 56.448 54.840 -0.154 0.000 0.753 307 L CB -0.539 41.217 42.059 -0.504 0.000 0.888 307 L HN 0.197 nan 8.230 nan 0.000 0.432 308 L N -0.298 120.794 121.223 -0.220 0.000 2.191 308 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 308 L C 2.501 179.336 176.870 -0.057 0.000 1.103 308 L CA 0.746 55.500 54.840 -0.144 0.000 0.769 308 L CB -0.668 41.291 42.059 -0.167 0.000 0.908 308 L HN 0.381 nan 8.230 nan 0.000 0.438 309 E N 0.290 120.456 120.200 -0.057 0.000 2.331 309 E HA -0.207 4.142 4.350 -0.000 0.000 0.199 309 E C 2.089 178.693 176.600 0.008 0.000 1.008 309 E CA 0.840 57.231 56.400 -0.014 0.000 0.843 309 E CB -0.092 29.605 29.700 -0.005 0.000 0.761 309 E HN 0.516 nan 8.360 nan 0.000 0.507 310 R N 0.365 120.872 120.500 0.012 0.000 2.276 310 R HA 0.089 4.429 4.340 -0.000 0.000 0.203 310 R C 0.844 177.174 176.300 0.051 0.000 1.017 310 R CA 0.371 56.493 56.100 0.036 0.000 1.010 310 R CB 0.143 30.473 30.300 0.051 0.000 0.900 310 R HN -0.070 nan 8.270 nan 0.000 0.469 311 A N 1.254 124.106 122.820 0.052 0.000 2.362 311 A HA 0.634 4.954 4.320 -0.000 0.000 0.276 311 A C -0.322 177.286 177.584 0.039 0.000 1.153 311 A CA -0.053 52.017 52.037 0.056 0.000 0.813 311 A CB 0.516 19.553 19.000 0.062 0.000 1.081 311 A HN 0.271 nan 8.150 nan 0.000 0.507 312 A N 2.378 125.222 122.820 0.040 0.000 2.594 312 A HA 0.626 4.946 4.320 -0.000 0.000 0.296 312 A C -0.793 176.813 177.584 0.038 0.000 1.056 312 A CA -0.757 51.301 52.037 0.034 0.000 0.693 312 A CB 0.920 19.938 19.000 0.031 0.000 1.278 312 A HN 0.917 nan 8.150 nan 0.000 0.408 313 K N 1.939 122.360 120.400 0.036 0.000 2.227 313 K HA 0.677 4.997 4.320 -0.000 0.000 0.280 313 K C -0.816 175.809 176.600 0.042 0.000 1.041 313 K CA -0.209 56.104 56.287 0.043 0.000 0.905 313 K CB 0.291 32.813 32.500 0.037 0.000 1.068 313 K HN 0.593 nan 8.250 nan 0.000 0.470 314 L N 2.814 124.059 121.223 0.037 0.000 2.456 314 L HA 0.329 4.669 4.340 -0.000 0.000 0.257 314 L C 0.741 177.632 176.870 0.035 0.000 1.162 314 L CA -0.703 54.151 54.840 0.023 0.000 0.808 314 L CB 1.302 43.359 42.059 -0.003 0.000 1.136 314 L HN 0.916 nan 8.230 nan 0.000 0.466 315 S N -0.379 115.335 115.700 0.023 0.000 2.641 315 S HA 0.096 4.566 4.470 -0.000 0.000 0.261 315 S C 0.762 175.375 174.600 0.022 0.000 1.257 315 S CA -0.471 57.744 58.200 0.026 0.000 0.983 315 S CB 0.905 64.114 63.200 0.015 0.000 0.990 315 S HN 0.664 nan 8.310 nan 0.000 0.572 316 E N 0.269 120.481 120.200 0.020 0.000 2.106 316 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 316 E C 2.023 178.623 176.600 -0.000 0.000 0.984 316 E CA 0.952 57.360 56.400 0.014 0.000 0.806 316 E CB -0.132 29.575 29.700 0.012 0.000 0.750 316 E HN 0.727 nan 8.360 nan 0.000 0.458 317 K N 0.932 121.330 120.400 -0.003 0.000 2.097 317 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 317 K C 1.345 177.934 176.600 -0.019 0.000 1.049 317 K CA 1.242 57.523 56.287 -0.010 0.000 0.933 317 K CB 0.204 32.700 32.500 -0.008 0.000 0.717 317 K HN -0.014 nan 8.250 nan 0.000 0.442 318 E N -0.955 119.234 120.200 -0.019 0.000 2.465 318 E HA 0.054 4.404 4.350 -0.000 0.000 0.191 318 E C 0.725 177.295 176.600 -0.050 0.000 1.053 318 E CA 0.686 57.065 56.400 -0.034 0.000 0.869 318 E CB 1.050 30.733 29.700 -0.029 0.000 0.977 318 E HN 0.631 nan 8.360 nan 0.000 0.483 319 G N 0.804 109.579 108.800 -0.041 0.000 2.184 319 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.206 319 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.206 319 G C 0.665 175.536 174.900 -0.048 0.000 0.995 319 G CA 0.143 45.209 45.100 -0.057 0.000 0.651 319 G HN 0.128 nan 8.290 nan 0.000 0.511 320 S N -1.731 113.959 115.700 -0.016 0.000 2.929 320 S HA -0.184 4.286 4.470 -0.000 0.000 0.271 320 S C 1.814 176.419 174.600 0.008 0.000 1.295 320 S CA 1.752 59.969 58.200 0.028 0.000 1.277 320 S CB -1.504 61.736 63.200 0.065 0.000 1.557 320 S HN 2.245 nan 8.310 nan 0.000 0.666 321 G N 1.386 110.118 108.800 -0.114 0.000 2.636 321 G HA2 0.476 4.436 3.960 -0.000 0.000 0.246 321 G HA3 0.476 4.436 3.960 -0.000 0.000 0.246 321 G C -0.049 174.819 174.900 -0.053 0.000 1.216 321 G CA 0.501 45.453 45.100 -0.247 0.000 0.854 321 G HN 1.240 nan 8.290 nan 0.000 0.572 322 S N -0.579 115.132 115.700 0.019 0.000 2.569 322 S HA 0.668 5.138 4.470 -0.000 0.000 0.280 322 S C -1.183 173.479 174.600 0.104 0.000 1.111 322 S CA -0.877 57.393 58.200 0.117 0.000 0.887 322 S CB 2.034 65.360 63.200 0.210 0.000 1.095 322 S HN 0.911 nan 8.310 nan 0.000 0.476 323 L N 1.529 122.801 121.223 0.082 0.000 2.365 323 L HA 0.826 5.166 4.340 -0.000 0.000 0.273 323 L C -0.855 176.049 176.870 0.056 0.000 1.000 323 L CA 0.235 55.124 54.840 0.082 0.000 0.819 323 L CB 2.154 44.266 42.059 0.088 0.000 1.284 323 L HN 0.957 nan 8.230 nan 0.000 0.418 324 T N 3.843 118.419 114.554 0.038 0.000 2.861 324 T HA 0.891 5.241 4.350 -0.000 0.000 0.287 324 T C -0.909 173.794 174.700 0.005 0.000 1.003 324 T CA -0.414 61.694 62.100 0.015 0.000 0.977 324 T CB 1.676 70.540 68.868 -0.007 0.000 0.996 324 T HN 0.819 nan 8.240 nan 0.000 0.448 325 A N 2.752 125.581 122.820 0.015 0.000 2.393 325 A HA 0.814 5.134 4.320 -0.000 0.000 0.306 325 A C -1.127 176.469 177.584 0.019 0.000 1.050 325 A CA -0.757 51.293 52.037 0.021 0.000 0.724 325 A CB 1.000 20.086 19.000 0.144 0.000 1.248 325 A HN 0.826 nan 8.150 nan 0.000 0.424 326 L N 3.824 125.040 121.223 -0.011 0.000 2.384 326 L HA 0.360 4.700 4.340 -0.000 0.000 0.261 326 L C -2.409 174.481 176.870 0.033 0.000 1.024 326 L CA -1.808 53.035 54.840 0.004 0.000 0.899 326 L CB 1.653 43.705 42.059 -0.013 0.000 1.243 326 L HN 0.458 nan 8.230 nan 0.000 0.449 327 P HA 0.153 nan 4.420 nan 0.000 0.275 327 P C -0.513 176.786 177.300 -0.002 0.000 1.228 327 P CA -0.196 62.953 63.100 0.082 0.000 0.786 327 P CB 1.883 33.560 31.700 -0.039 0.000 0.927 328 V N 4.195 124.097 119.914 -0.021 0.000 2.459 328 V HA 0.386 4.506 4.120 -0.000 0.000 0.295 328 V C 0.420 176.484 176.094 -0.049 0.000 1.029 328 V CA -0.571 61.715 62.300 -0.023 0.000 0.874 328 V CB 1.594 33.410 31.823 -0.011 0.000 0.985 328 V HN 0.413 nan 8.190 nan 0.000 0.438 329 I N 3.378 123.929 120.570 -0.030 0.000 2.569 329 I HA 0.487 4.657 4.170 -0.000 0.000 0.296 329 I C -0.061 176.066 176.117 0.017 0.000 1.028 329 I CA -0.460 60.821 61.300 -0.032 0.000 1.082 329 I CB 2.152 40.120 38.000 -0.052 0.000 1.264 329 I HN 0.733 nan 8.210 nan 0.000 0.429 330 E N 4.169 124.385 120.200 0.026 0.000 2.158 330 E HA 0.409 4.759 4.350 -0.000 0.000 0.271 330 E C -0.623 176.016 176.600 0.064 0.000 0.911 330 E CA -0.363 56.068 56.400 0.050 0.000 0.767 330 E CB 1.517 31.244 29.700 0.046 0.000 1.120 330 E HN 0.740 nan 8.360 nan 0.000 0.405 331 T N 1.520 116.127 114.554 0.089 0.000 2.849 331 T HA 0.377 4.727 4.350 -0.000 0.000 0.276 331 T C -0.132 174.622 174.700 0.090 0.000 0.971 331 T CA -0.888 61.270 62.100 0.096 0.000 0.949 331 T CB 1.373 70.324 68.868 0.139 0.000 1.093 331 T HN 0.365 nan 8.240 nan 0.000 0.545 332 Q N -0.005 119.848 119.800 0.089 0.000 2.310 332 Q HA 0.488 4.828 4.340 -0.000 0.000 0.270 332 Q C 0.524 176.573 176.000 0.081 0.000 1.025 332 Q CA -0.336 55.514 55.803 0.078 0.000 0.772 332 Q CB 1.558 30.339 28.738 0.072 0.000 1.253 332 Q HN 1.373 nan 8.270 nan 0.000 0.450 333 G N 1.395 110.241 108.800 0.078 0.000 2.221 333 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.265 333 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.265 333 G C 0.813 175.776 174.900 0.104 0.000 1.041 333 G CA 0.657 45.804 45.100 0.078 0.000 0.807 333 G HN 1.373 nan 8.290 nan 0.000 0.502 334 G N -0.678 108.209 108.800 0.145 0.000 2.175 334 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.265 334 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.265 334 G C 0.384 175.406 174.900 0.202 0.000 0.979 334 G CA 1.035 46.288 45.100 0.254 0.000 0.663 334 G HN 1.411 nan 8.290 nan 0.000 0.533 335 D N 0.970 121.437 120.400 0.111 0.000 2.545 335 D HA 0.311 4.951 4.640 -0.000 0.000 0.227 335 D C 1.985 178.282 176.300 -0.005 0.000 1.150 335 D CA 0.363 54.392 54.000 0.049 0.000 1.046 335 D CB 0.085 40.919 40.800 0.056 0.000 1.098 335 D HN 0.663 nan 8.370 nan 0.000 0.502 336 V N 0.613 120.459 119.914 -0.113 0.000 3.383 336 V HA 0.037 4.157 4.120 -0.000 0.000 0.272 336 V C 0.783 176.805 176.094 -0.121 0.000 1.181 336 V CA 0.589 62.760 62.300 -0.215 0.000 1.171 336 V CB -0.474 31.029 31.823 -0.533 0.000 0.800 336 V HN 0.274 nan 8.190 nan 0.000 0.515 337 S N 0.994 116.660 115.700 -0.056 0.000 2.457 337 S HA 0.787 5.257 4.470 -0.000 0.000 0.237 337 S C 0.638 175.256 174.600 0.030 0.000 1.213 337 S CA 0.131 58.322 58.200 -0.015 0.000 1.218 337 S CB 0.500 63.691 63.200 -0.015 0.000 0.922 337 S HN 0.886 nan 8.310 nan 0.000 0.488 338 A N 0.797 123.643 122.820 0.044 0.000 2.388 338 A HA 0.641 4.961 4.320 -0.000 0.000 0.280 338 A C 0.749 178.423 177.584 0.149 0.000 1.377 338 A CA -0.161 51.934 52.037 0.097 0.000 0.863 338 A CB -0.097 18.963 19.000 0.100 0.000 1.416 338 A HN 0.390 nan 8.150 nan 0.000 0.517 339 Y N -0.433 119.887 120.300 0.033 0.000 2.163 339 Y HA -0.035 4.515 4.550 -0.000 0.000 0.288 339 Y C 1.973 177.875 175.900 0.002 0.000 1.112 339 Y CA 1.597 59.712 58.100 0.025 0.000 1.104 339 Y CB -0.320 38.170 38.460 0.050 0.000 1.016 339 Y HN 0.363 nan 8.280 nan 0.000 0.497 340 I N 1.126 121.566 120.570 -0.216 0.000 2.208 340 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 340 I C -0.475 175.553 176.117 -0.148 0.000 1.097 340 I CA 1.348 62.463 61.300 -0.308 0.000 1.363 340 I CB -2.782 35.066 38.000 -0.253 0.000 1.051 340 I HN 0.208 nan 8.210 nan 0.000 0.413 341 P HA -0.104 nan 4.420 nan 0.000 0.215 341 P C 1.765 179.031 177.300 -0.057 0.000 1.157 341 P CA 1.907 64.972 63.100 -0.059 0.000 0.868 341 P CB -0.206 31.473 31.700 -0.036 0.000 0.788 342 T N -1.438 113.095 114.554 -0.035 0.000 2.788 342 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 342 T C 1.626 176.331 174.700 0.008 0.000 1.044 342 T CA 1.274 63.366 62.100 -0.013 0.000 1.139 342 T CB -1.061 67.818 68.868 0.019 0.000 0.867 342 T HN 0.053 nan 8.240 nan 0.000 0.454 343 N N 1.340 120.031 118.700 -0.014 0.000 2.007 343 N HA -0.107 4.633 4.740 -0.000 0.000 0.197 343 N C 2.047 177.628 175.510 0.119 0.000 1.050 343 N CA 1.345 54.453 53.050 0.097 0.000 0.856 343 N CB -1.005 37.484 38.487 0.005 0.000 1.050 343 N HN 0.274 nan 8.380 nan 0.000 0.423 344 V N 1.542 121.450 119.914 -0.009 0.000 2.343 344 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 344 V C 2.281 178.352 176.094 -0.039 0.000 1.051 344 V CA 1.201 63.454 62.300 -0.077 0.000 1.036 344 V CB -0.550 31.155 31.823 -0.196 0.000 0.654 344 V HN 0.246 nan 8.190 nan 0.000 0.451 345 I N 1.399 121.952 120.570 -0.028 0.000 2.248 345 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 345 I C 2.336 178.460 176.117 0.013 0.000 1.107 345 I CA 2.009 63.298 61.300 -0.018 0.000 1.373 345 I CB -0.349 37.630 38.000 -0.035 0.000 1.055 345 I HN 0.487 nan 8.210 nan 0.000 0.418 346 S N -0.474 115.256 115.700 0.050 0.000 2.605 346 S HA 0.212 4.682 4.470 -0.000 0.000 0.217 346 S C 1.465 176.149 174.600 0.140 0.000 0.958 346 S CA -0.099 58.152 58.200 0.086 0.000 0.919 346 S CB -0.269 62.987 63.200 0.093 0.000 0.780 346 S HN 0.412 nan 8.310 nan 0.000 0.507 347 I N 1.731 122.359 120.570 0.097 0.000 3.172 347 I HA 0.078 4.248 4.170 -0.000 0.000 0.278 347 I C 1.344 177.472 176.117 0.018 0.000 1.174 347 I CA 0.610 61.944 61.300 0.057 0.000 1.445 347 I CB 0.064 38.030 38.000 -0.057 0.000 1.175 347 I HN 0.396 nan 8.210 nan 0.000 0.447 348 T N -2.533 112.022 114.554 0.002 0.000 2.881 348 T HA 0.198 4.548 4.350 -0.000 0.000 0.278 348 T C 0.226 174.932 174.700 0.010 0.000 0.982 348 T CA -0.649 61.448 62.100 -0.004 0.000 0.989 348 T CB 1.135 69.992 68.868 -0.017 0.000 1.058 348 T HN -0.045 nan 8.240 nan 0.000 0.529 349 D N 0.918 121.323 120.400 0.009 0.000 2.676 349 D HA 0.408 5.048 4.640 -0.000 0.000 0.239 349 D C 0.965 177.273 176.300 0.013 0.000 1.213 349 D CA 0.542 54.550 54.000 0.013 0.000 0.835 349 D CB -0.555 40.253 40.800 0.013 0.000 1.009 349 D HN 1.011 nan 8.370 nan 0.000 0.479 350 G N 0.615 109.422 108.800 0.012 0.000 2.381 350 G HA2 0.059 4.019 3.960 -0.000 0.000 0.672 350 G HA3 0.059 4.019 3.960 -0.000 0.000 0.672 350 G C -1.486 173.425 174.900 0.017 0.000 1.324 350 G CA -1.069 44.040 45.100 0.016 0.000 0.975 350 G HN 0.116 nan 8.290 nan 0.000 0.593 351 Q N -1.264 118.553 119.800 0.029 0.000 2.416 351 Q HA 0.766 5.106 4.340 -0.000 0.000 0.281 351 Q C -0.528 175.512 176.000 0.067 0.000 1.067 351 Q CA -0.623 55.206 55.803 0.044 0.000 0.809 351 Q CB 2.407 31.172 28.738 0.045 0.000 1.418 351 Q HN 0.699 nan 8.270 nan 0.000 0.411 352 I N 1.828 122.446 120.570 0.080 0.000 2.359 352 I HA 0.326 4.496 4.170 -0.000 0.000 0.284 352 I C -1.027 175.188 176.117 0.162 0.000 1.018 352 I CA -0.667 60.689 61.300 0.094 0.000 1.173 352 I CB 0.579 38.612 38.000 0.054 0.000 1.326 352 I HN 0.477 nan 8.210 nan 0.000 0.462 353 F N 8.024 127.979 119.950 0.009 0.000 2.421 353 F HA 0.504 5.031 4.527 -0.000 0.000 0.358 353 F C -0.525 175.284 175.800 0.016 0.000 1.115 353 F CA -0.675 57.331 58.000 0.011 0.000 1.160 353 F CB 0.449 39.457 39.000 0.012 0.000 1.123 353 F HN 0.207 nan 8.300 nan 0.000 0.508 354 L N 5.653 126.670 121.223 -0.342 0.000 2.343 354 L HA 0.534 4.873 4.340 -0.000 0.000 0.275 354 L C -0.440 176.068 176.870 -0.603 0.000 1.056 354 L CA -0.722 53.901 54.840 -0.361 0.000 0.804 354 L CB 1.545 43.517 42.059 -0.144 0.000 1.203 354 L HN 0.496 nan 8.230 nan 0.000 0.440 355 E N 0.441 120.416 120.200 -0.375 0.000 2.278 355 E HA 0.294 4.644 4.350 -0.000 0.000 0.272 355 E C 0.035 176.551 176.600 -0.140 0.000 0.890 355 E CA -0.459 55.746 56.400 -0.325 0.000 0.770 355 E CB 2.268 31.770 29.700 -0.329 0.000 1.212 355 E HN 0.728 nan 8.360 nan 0.000 0.415 356 A N 2.938 125.678 122.820 -0.132 0.000 1.948 356 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 356 A C 1.866 179.455 177.584 0.009 0.000 1.177 356 A CA 2.013 53.973 52.037 -0.129 0.000 0.636 356 A CB -0.272 18.698 19.000 -0.051 0.000 0.815 356 A HN 0.772 nan 8.150 nan 0.000 0.449 357 E N -0.356 119.877 120.200 0.056 0.000 2.038 357 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 357 E C 1.959 178.618 176.600 0.098 0.000 1.000 357 E CA 1.395 57.861 56.400 0.109 0.000 0.803 357 E CB -0.220 29.523 29.700 0.070 0.000 0.750 357 E HN 0.668 nan 8.360 nan 0.000 0.448 358 L N -0.014 121.232 121.223 0.038 0.000 2.083 358 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 358 L C 2.398 179.281 176.870 0.021 0.000 1.083 358 L CA 0.809 55.662 54.840 0.022 0.000 0.752 358 L CB -0.469 41.580 42.059 -0.017 0.000 0.899 358 L HN 0.196 nan 8.230 nan 0.000 0.433 359 F N 0.150 120.001 119.950 -0.165 0.000 2.046 359 F HA -0.316 4.211 4.527 -0.000 0.000 0.297 359 F C 2.327 178.013 175.800 -0.191 0.000 1.123 359 F CA 1.694 59.543 58.000 -0.252 0.000 1.199 359 F CB -0.239 38.485 39.000 -0.461 0.000 0.972 359 F HN -0.063 nan 8.300 nan 0.000 0.474 360 Y N 0.355 120.862 120.300 0.344 0.000 2.509 360 Y HA -0.040 4.510 4.550 -0.000 0.000 0.293 360 Y C 1.975 177.925 175.900 0.084 0.000 1.133 360 Y CA 0.775 59.006 58.100 0.219 0.000 1.283 360 Y CB -0.728 37.833 38.460 0.168 0.000 1.001 360 Y HN 0.039 nan 8.280 nan 0.000 0.555 361 K N -0.661 119.843 120.400 0.174 0.000 2.444 361 K HA 0.146 4.466 4.320 -0.000 0.000 0.193 361 K C 1.364 177.983 176.600 0.032 0.000 1.024 361 K CA 0.727 57.070 56.287 0.093 0.000 1.077 361 K CB -0.015 32.529 32.500 0.073 0.000 0.833 361 K HN 0.462 nan 8.250 nan 0.000 0.517 362 G N 1.584 110.372 108.800 -0.020 0.000 2.213 362 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.236 362 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.236 362 G C 0.247 175.069 174.900 -0.130 0.000 0.991 362 G CA -0.326 44.725 45.100 -0.082 0.000 0.629 362 G HN 0.246 nan 8.290 nan 0.000 0.517 363 I N 1.998 122.505 120.570 -0.104 0.000 2.483 363 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 363 I C 0.688 176.692 176.117 -0.189 0.000 1.112 363 I CA 0.346 61.585 61.300 -0.102 0.000 1.350 363 I CB 0.285 38.258 38.000 -0.044 0.000 1.419 363 I HN 0.067 nan 8.210 nan 0.000 0.523 364 R N 7.478 127.858 120.500 -0.199 0.000 2.510 364 R HA 0.362 4.702 4.340 -0.000 0.000 0.294 364 R C -2.660 173.552 176.300 -0.146 0.000 1.056 364 R CA -1.809 54.137 56.100 -0.257 0.000 0.918 364 R CB 2.002 32.050 30.300 -0.420 0.000 1.187 364 R HN 0.277 nan 8.270 nan 0.000 0.437 365 P HA -0.056 nan 4.420 nan 0.000 0.265 365 P C -0.217 177.038 177.300 -0.076 0.000 1.187 365 P CA 0.011 63.062 63.100 -0.081 0.000 0.766 365 P CB 0.705 32.377 31.700 -0.047 0.000 0.820 366 A N 4.453 127.243 122.820 -0.049 0.000 3.029 366 A HA 0.172 4.492 4.320 -0.000 0.000 0.251 366 A C 0.749 178.292 177.584 -0.069 0.000 1.749 366 A CA -0.339 51.669 52.037 -0.048 0.000 1.386 366 A CB -1.516 17.495 19.000 0.018 0.000 1.043 366 A HN 0.465 nan 8.150 nan 0.000 0.638 367 I N 1.336 121.879 120.570 -0.045 0.000 2.471 367 I HA 0.022 4.192 4.170 -0.000 0.000 0.286 367 I C 0.522 176.630 176.117 -0.014 0.000 1.079 367 I CA -0.352 60.932 61.300 -0.027 0.000 1.398 367 I CB 0.544 38.544 38.000 0.002 0.000 1.403 367 I HN 0.394 nan 8.210 nan 0.000 0.530 368 N N 6.597 125.291 118.700 -0.010 0.000 2.406 368 N HA 0.097 4.837 4.740 -0.000 0.000 0.251 368 N C 0.539 176.099 175.510 0.085 0.000 1.069 368 N CA -0.045 53.032 53.050 0.045 0.000 0.947 368 N CB 1.569 40.111 38.487 0.092 0.000 1.111 368 N HN 0.398 nan 8.380 nan 0.000 0.497 369 V N 3.955 123.910 119.914 0.068 0.000 2.323 369 V HA -0.059 4.060 4.120 -0.000 0.000 0.244 369 V C 2.374 178.509 176.094 0.069 0.000 1.041 369 V CA 2.070 64.410 62.300 0.067 0.000 1.025 369 V CB -1.053 30.810 31.823 0.067 0.000 0.656 369 V HN 0.770 nan 8.190 nan 0.000 0.451 370 G N -0.087 108.750 108.800 0.063 0.000 2.469 370 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 370 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 370 G C 1.503 176.441 174.900 0.062 0.000 1.150 370 G CA 0.897 46.029 45.100 0.052 0.000 0.763 370 G HN 0.478 nan 8.290 nan 0.000 0.561 371 L N 0.842 122.124 121.223 0.098 0.000 2.599 371 L HA 0.179 4.519 4.340 -0.000 0.000 0.230 371 L C 0.490 177.424 176.870 0.106 0.000 1.141 371 L CA -0.197 54.706 54.840 0.105 0.000 0.877 371 L CB 0.110 42.281 42.059 0.186 0.000 1.009 371 L HN 0.064 nan 8.230 nan 0.000 0.447 372 S N -0.336 115.425 115.700 0.103 0.000 2.537 372 S HA 0.679 5.149 4.470 -0.000 0.000 0.301 372 S C -0.370 174.264 174.600 0.057 0.000 1.092 372 S CA -0.625 57.628 58.200 0.089 0.000 1.048 372 S CB 2.433 65.690 63.200 0.094 0.000 1.053 372 S HN 0.023 nan 8.310 nan 0.000 0.501 373 V N -0.640 119.301 119.914 0.046 0.000 3.147 373 V HA 0.886 5.006 4.120 -0.000 0.000 0.306 373 V C -0.529 175.583 176.094 0.029 0.000 1.209 373 V CA -0.837 61.484 62.300 0.034 0.000 1.023 373 V CB 1.741 33.580 31.823 0.027 0.000 1.059 373 V HN 0.735 nan 8.190 nan 0.000 0.435 374 S N 1.201 116.917 115.700 0.025 0.000 2.449 374 S HA 0.535 5.005 4.470 -0.000 0.000 0.310 374 S C 0.610 175.221 174.600 0.018 0.000 1.096 374 S CA -0.751 57.461 58.200 0.020 0.000 1.095 374 S CB 1.586 64.796 63.200 0.017 0.000 1.007 374 S HN 0.821 nan 8.310 nan 0.000 0.474 375 R N 3.025 123.535 120.500 0.017 0.000 2.275 375 R HA 0.071 4.411 4.340 -0.000 0.000 0.199 375 R C 1.310 177.620 176.300 0.017 0.000 0.989 375 R CA 0.617 56.727 56.100 0.017 0.000 1.016 375 R CB -0.107 30.204 30.300 0.018 0.000 0.918 375 R HN 0.542 nan 8.270 nan 0.000 0.473 376 V N -0.250 119.672 119.914 0.014 0.000 2.500 376 V HA 0.118 4.238 4.120 -0.000 0.000 0.243 376 V C 1.419 177.522 176.094 0.016 0.000 1.039 376 V CA 1.300 63.608 62.300 0.014 0.000 1.053 376 V CB -0.287 31.541 31.823 0.008 0.000 0.695 376 V HN 0.647 nan 8.190 nan 0.000 0.463 377 G N 0.808 109.616 108.800 0.014 0.000 2.499 377 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.232 377 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.232 377 G C 1.007 175.915 174.900 0.015 0.000 1.251 377 G CA 0.805 45.915 45.100 0.016 0.000 0.917 377 G HN 0.934 nan 8.290 nan 0.000 0.580 378 S N 0.437 116.147 115.700 0.017 0.000 2.442 378 S HA 0.176 4.646 4.470 -0.000 0.000 0.236 378 S C 2.659 177.269 174.600 0.016 0.000 1.007 378 S CA 2.134 60.343 58.200 0.016 0.000 0.965 378 S CB -0.554 62.657 63.200 0.018 0.000 0.773 378 S HN 2.230 nan 8.310 nan 0.000 0.504 379 A N 1.955 124.787 122.820 0.020 0.000 1.917 379 A HA 0.193 4.513 4.320 -0.000 0.000 0.219 379 A C 2.306 179.903 177.584 0.021 0.000 1.182 379 A CA 1.738 53.793 52.037 0.030 0.000 0.633 379 A CB -1.292 17.731 19.000 0.039 0.000 0.819 379 A HN 1.101 nan 8.150 nan 0.000 0.448 380 A N -1.609 121.212 122.820 0.001 0.000 2.337 380 A HA 0.341 4.661 4.320 -0.000 0.000 0.227 380 A C 0.770 178.334 177.584 -0.033 0.000 1.259 380 A CA -0.060 51.961 52.037 -0.027 0.000 0.870 380 A CB -0.165 18.818 19.000 -0.030 0.000 0.927 380 A HN 0.605 nan 8.150 nan 0.000 0.497 381 Q N -0.204 119.586 119.800 -0.015 0.000 2.274 381 Q HA 0.495 4.834 4.340 -0.000 0.000 0.260 381 Q C -0.893 175.099 176.000 -0.013 0.000 0.974 381 Q CA -0.599 55.197 55.803 -0.012 0.000 0.876 381 Q CB 2.141 30.881 28.738 0.004 0.000 1.297 381 Q HN 0.153 nan 8.270 nan 0.000 0.446 382 V N 3.956 123.861 119.914 -0.015 0.000 2.599 382 V HA -0.105 4.015 4.120 -0.000 0.000 0.300 382 V C 1.428 177.525 176.094 0.005 0.000 1.034 382 V CA 0.789 63.083 62.300 -0.011 0.000 1.115 382 V CB 0.951 32.773 31.823 -0.002 0.000 0.934 382 V HN 0.840 nan 8.190 nan 0.000 0.485 383 K N 4.186 124.589 120.400 0.006 0.000 2.211 383 K HA -0.178 4.142 4.320 -0.000 0.000 0.204 383 K C 1.983 178.594 176.600 0.017 0.000 1.047 383 K CA 1.590 57.884 56.287 0.012 0.000 0.935 383 K CB -0.105 32.402 32.500 0.011 0.000 0.728 383 K HN 0.858 nan 8.250 nan 0.000 0.452 384 A N 0.899 123.730 122.820 0.017 0.000 1.898 384 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 384 A C 1.965 179.569 177.584 0.033 0.000 1.181 384 A CA 1.175 53.225 52.037 0.021 0.000 0.620 384 A CB -0.456 18.554 19.000 0.016 0.000 0.819 384 A HN 0.369 nan 8.150 nan 0.000 0.442 385 L N 0.165 121.407 121.223 0.032 0.000 2.109 385 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 385 L C 2.262 179.155 176.870 0.039 0.000 1.086 385 L CA 2.506 57.370 54.840 0.040 0.000 0.760 385 L CB -0.600 41.479 42.059 0.034 0.000 0.910 385 L HN 0.477 nan 8.230 nan 0.000 0.437 386 K N -0.612 119.806 120.400 0.030 0.000 2.044 386 K HA -0.270 4.050 4.320 -0.000 0.000 0.210 386 K C 1.995 178.614 176.600 0.032 0.000 1.049 386 K CA 2.171 58.475 56.287 0.027 0.000 0.927 386 K CB -0.254 32.259 32.500 0.022 0.000 0.713 386 K HN 0.544 nan 8.250 nan 0.000 0.443 387 Q N 0.169 119.992 119.800 0.038 0.000 2.170 387 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 387 Q C 2.097 178.136 176.000 0.066 0.000 0.976 387 Q CA 1.810 57.641 55.803 0.047 0.000 0.858 387 Q CB 0.061 28.828 28.738 0.048 0.000 0.907 387 Q HN 0.443 nan 8.270 nan 0.000 0.433 388 V N -3.713 116.250 119.914 0.081 0.000 3.174 388 V HA 0.281 4.401 4.120 -0.000 0.000 0.254 388 V C 1.323 177.440 176.094 0.039 0.000 1.120 388 V CA 0.778 63.141 62.300 0.106 0.000 1.114 388 V CB -0.017 31.918 31.823 0.186 0.000 0.756 388 V HN 0.130 nan 8.190 nan 0.000 0.467 389 A N 1.231 124.069 122.820 0.031 0.000 2.988 389 A HA 0.652 4.972 4.320 -0.000 0.000 0.288 389 A C 1.734 179.321 177.584 0.004 0.000 1.385 389 A CA 0.451 52.495 52.037 0.010 0.000 1.001 389 A CB -1.201 17.813 19.000 0.023 0.000 1.071 389 A HN 0.632 nan 8.150 nan 0.000 0.608 390 G N 1.419 110.215 108.800 -0.007 0.000 3.569 390 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.224 390 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.224 390 G C 0.968 175.874 174.900 0.009 0.000 1.013 390 G CA 1.365 46.463 45.100 -0.004 0.000 0.737 390 G HN 1.248 nan 8.290 nan 0.000 1.230 391 S N 0.067 115.773 115.700 0.011 0.000 2.257 391 S HA 0.440 4.910 4.470 -0.000 0.000 0.191 391 S C 0.996 175.641 174.600 0.075 0.000 1.386 391 S CA -0.178 58.047 58.200 0.043 0.000 1.233 391 S CB 1.229 64.460 63.200 0.052 0.000 1.138 391 S HN 0.491 nan 8.310 nan 0.000 0.483 392 L N 1.850 123.105 121.223 0.053 0.000 2.027 392 L HA 0.115 4.455 4.340 -0.000 0.000 0.206 392 L C 2.321 179.283 176.870 0.153 0.000 1.074 392 L CA 1.991 56.883 54.840 0.086 0.000 0.745 392 L CB -0.670 41.408 42.059 0.032 0.000 0.898 392 L HN 0.459 nan 8.230 nan 0.000 0.433 393 K N -0.203 120.258 120.400 0.101 0.000 2.063 393 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 393 K C 1.972 178.633 176.600 0.101 0.000 1.048 393 K CA 2.058 58.400 56.287 0.092 0.000 0.928 393 K CB -0.591 31.947 32.500 0.063 0.000 0.713 393 K HN 0.463 nan 8.250 nan 0.000 0.442 394 L N -0.249 121.037 121.223 0.105 0.000 2.313 394 L HA 0.011 4.351 4.340 -0.000 0.000 0.214 394 L C 2.066 179.009 176.870 0.121 0.000 1.119 394 L CA 0.483 55.377 54.840 0.091 0.000 0.809 394 L CB -0.257 41.846 42.059 0.073 0.000 0.933 394 L HN 0.227 nan 8.230 nan 0.000 0.449 395 F N 0.317 120.280 119.950 0.023 0.000 2.206 395 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 395 F C 1.927 177.770 175.800 0.072 0.000 1.090 395 F CA 1.255 59.273 58.000 0.030 0.000 1.323 395 F CB 0.079 39.083 39.000 0.005 0.000 1.028 395 F HN -0.121 nan 8.300 nan 0.000 0.492 396 L N -0.007 121.279 121.223 0.105 0.000 2.552 396 L HA 0.059 4.399 4.340 -0.000 0.000 0.227 396 L C 2.303 179.195 176.870 0.036 0.000 1.146 396 L CA 0.622 55.507 54.840 0.074 0.000 0.858 396 L CB -0.669 41.488 42.059 0.163 0.000 0.969 396 L HN 0.288 nan 8.230 nan 0.000 0.451 397 A N -1.209 121.610 122.820 -0.001 0.000 2.095 397 A HA -0.034 4.286 4.320 -0.000 0.000 0.212 397 A C 2.165 179.702 177.584 -0.077 0.000 1.162 397 A CA 0.366 52.391 52.037 -0.021 0.000 0.753 397 A CB 0.074 19.074 19.000 0.001 0.000 0.840 397 A HN 0.260 nan 8.150 nan 0.000 0.468 398 Q N -1.632 118.090 119.800 -0.129 0.000 2.165 398 Q HA -0.053 4.287 4.340 -0.000 0.000 0.197 398 Q C 1.860 177.727 176.000 -0.222 0.000 0.952 398 Q CA 1.313 57.013 55.803 -0.172 0.000 0.848 398 Q CB -0.458 28.180 28.738 -0.167 0.000 0.931 398 Q HN 0.834 nan 8.270 nan 0.000 0.470 399 Y N 1.433 121.460 120.300 -0.455 0.000 2.274 399 Y HA -0.132 4.418 4.550 -0.000 0.000 0.290 399 Y C 2.089 177.874 175.900 -0.192 0.000 1.145 399 Y CA 1.427 59.289 58.100 -0.397 0.000 1.203 399 Y CB 0.052 38.188 38.460 -0.539 0.000 0.984 399 Y HN -0.097 nan 8.280 nan 0.000 0.533 400 R N 0.446 120.712 120.500 -0.391 0.000 2.193 400 R HA -0.111 4.229 4.340 -0.000 0.000 0.213 400 R C 1.923 178.064 176.300 -0.264 0.000 1.055 400 R CA 1.264 57.126 56.100 -0.395 0.000 0.995 400 R CB -0.076 30.126 30.300 -0.163 0.000 0.893 400 R HN 0.503 nan 8.270 nan 0.000 0.459 401 E N -0.007 120.069 120.200 -0.207 0.000 2.076 401 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 401 E C 1.770 178.284 176.600 -0.143 0.000 0.979 401 E CA 1.079 57.389 56.400 -0.151 0.000 0.807 401 E CB -0.199 29.411 29.700 -0.149 0.000 0.761 401 E HN -0.031 nan 8.360 nan 0.000 0.454 402 V N 1.129 120.936 119.914 -0.178 0.000 2.427 402 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 402 V C 2.427 178.484 176.094 -0.061 0.000 1.051 402 V CA 1.709 63.947 62.300 -0.103 0.000 1.048 402 V CB -0.921 30.849 31.823 -0.088 0.000 0.666 402 V HN 0.482 nan 8.190 nan 0.000 0.456 403 A N 0.057 122.750 122.820 -0.211 0.000 1.978 403 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 403 A C 2.342 179.887 177.584 -0.065 0.000 1.170 403 A CA 1.987 53.913 52.037 -0.185 0.000 0.636 403 A CB -0.642 18.130 19.000 -0.381 0.000 0.810 403 A HN 0.592 nan 8.150 nan 0.000 0.448 404 A N -2.265 120.537 122.820 -0.030 0.000 2.119 404 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 404 A C 1.239 178.909 177.584 0.144 0.000 1.153 404 A CA 0.674 52.737 52.037 0.045 0.000 0.692 404 A CB -0.468 18.565 19.000 0.055 0.000 0.799 404 A HN 0.414 nan 8.150 nan 0.000 0.458 405 F N -0.442 119.466 119.950 -0.070 0.000 2.798 405 F HA 0.449 4.976 4.527 -0.000 0.000 0.291 405 F C 1.571 177.347 175.800 -0.040 0.000 1.174 405 F CA -0.241 57.730 58.000 -0.048 0.000 1.392 405 F CB 0.159 39.132 39.000 -0.046 0.000 0.966 405 F HN 0.208 nan 8.300 nan 0.000 0.509 406 A N -0.900 121.932 122.820 0.020 0.000 2.465 406 A HA 0.265 4.585 4.320 -0.000 0.000 0.255 406 A C 1.010 178.563 177.584 -0.052 0.000 1.274 406 A CA -0.122 51.910 52.037 -0.008 0.000 0.920 406 A CB -0.075 18.927 19.000 0.003 0.000 1.033 406 A HN 0.136 nan 8.150 nan 0.000 0.516 411 D N 3.269 123.668 120.400 -0.002 0.000 2.460 411 D HA 0.473 5.113 4.640 -0.000 0.000 0.232 411 D C 0.165 176.473 176.300 0.012 0.000 1.079 411 D CA -0.474 53.528 54.000 0.004 0.000 0.864 411 D CB 0.380 41.182 40.800 0.002 0.000 1.048 411 D HN 0.513 nan 8.370 nan 0.000 0.523 412 L N 1.769 123.003 121.223 0.018 0.000 2.529 412 L HA 0.040 4.380 4.340 -0.000 0.000 0.287 412 L C 1.342 178.226 176.870 0.024 0.000 1.241 412 L CA -0.065 54.792 54.840 0.027 0.000 0.857 412 L CB 0.105 42.184 42.059 0.033 0.000 1.113 412 L HN 0.440 nan 8.230 nan 0.000 0.504 413 D N 1.934 122.351 120.400 0.028 0.000 2.414 413 D HA 0.186 4.826 4.640 -0.000 0.000 0.251 413 D C 0.832 177.145 176.300 0.022 0.000 1.252 413 D CA -0.032 53.981 54.000 0.023 0.000 0.999 413 D CB 1.003 41.817 40.800 0.023 0.000 1.093 413 D HN 0.539 nan 8.370 nan 0.000 0.515 414 A N 0.601 123.431 122.820 0.017 0.000 1.851 414 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 414 A C 2.301 179.897 177.584 0.020 0.000 1.195 414 A CA 3.067 55.113 52.037 0.015 0.000 0.622 414 A CB -1.268 17.737 19.000 0.009 0.000 0.831 414 A HN 0.689 nan 8.150 nan 0.000 0.444 415 S N -1.887 113.826 115.700 0.022 0.000 2.399 415 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 415 S C 1.884 176.510 174.600 0.042 0.000 1.022 415 S CA 2.137 60.354 58.200 0.028 0.000 0.983 415 S CB -0.821 62.395 63.200 0.025 0.000 0.803 415 S HN 0.511 nan 8.310 nan 0.000 0.480 416 T N 0.349 114.927 114.554 0.041 0.000 3.067 416 T HA 0.188 4.538 4.350 -0.000 0.000 0.257 416 T C 1.651 176.387 174.700 0.060 0.000 1.105 416 T CA 0.808 62.938 62.100 0.050 0.000 1.104 416 T CB -0.272 68.623 68.868 0.046 0.000 0.925 416 T HN 0.510 nan 8.240 nan 0.000 0.498 417 K N 0.214 120.644 120.400 0.049 0.000 2.186 417 K HA 0.079 4.399 4.320 -0.000 0.000 0.202 417 K C 1.990 178.621 176.600 0.052 0.000 1.052 417 K CA 0.799 57.115 56.287 0.049 0.000 0.965 417 K CB 0.096 32.616 32.500 0.033 0.000 0.746 417 K HN 0.344 nan 8.250 nan 0.000 0.457 418 Q N -0.737 119.089 119.800 0.045 0.000 2.451 418 Q HA -0.018 4.322 4.340 -0.000 0.000 0.206 418 Q C 1.346 177.391 176.000 0.076 0.000 0.947 418 Q CA 0.768 56.594 55.803 0.038 0.000 0.937 418 Q CB 0.568 29.315 28.738 0.015 0.000 1.025 418 Q HN 0.115 nan 8.270 nan 0.000 0.511 419 T N 0.048 114.668 114.554 0.109 0.000 3.051 419 T HA 0.098 4.448 4.350 -0.000 0.000 0.255 419 T C 1.421 176.242 174.700 0.201 0.000 1.085 419 T CA 0.090 62.298 62.100 0.180 0.000 1.109 419 T CB 0.174 69.129 68.868 0.146 0.000 0.921 419 T HN 0.259 nan 8.240 nan 0.000 0.488 420 L N 0.314 121.644 121.223 0.179 0.000 2.179 420 L HA 0.138 4.478 4.340 -0.000 0.000 0.208 420 L C 2.187 179.158 176.870 0.169 0.000 1.096 420 L CA 0.795 55.794 54.840 0.265 0.000 0.779 420 L CB -0.082 42.082 42.059 0.174 0.000 0.922 420 L HN 0.047 nan 8.230 nan 0.000 0.443 421 V N 0.145 120.107 119.914 0.079 0.000 2.283 421 V HA -0.207 3.913 4.120 -0.000 0.000 0.243 421 V C 2.714 178.782 176.094 -0.044 0.000 1.039 421 V CA 1.932 64.241 62.300 0.015 0.000 1.016 421 V CB -0.516 31.310 31.823 0.004 0.000 0.650 421 V HN 0.476 nan 8.190 nan 0.000 0.449 422 R N 0.042 120.530 120.500 -0.020 0.000 2.091 422 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 422 R C 2.267 178.507 176.300 -0.100 0.000 1.136 422 R CA 1.793 57.860 56.100 -0.055 0.000 0.959 422 R CB -0.733 29.544 30.300 -0.038 0.000 0.856 422 R HN 0.563 nan 8.270 nan 0.000 0.437 423 G N 0.203 108.881 108.800 -0.203 0.000 2.418 423 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 423 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 423 G C 1.259 175.599 174.900 -0.933 0.000 1.158 423 G CA 0.733 45.305 45.100 -0.881 0.000 0.771 423 G HN 0.436 nan 8.290 nan 0.000 0.545 424 E N -0.279 119.578 120.200 -0.571 0.000 2.150 424 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 424 E C 2.691 179.219 176.600 -0.120 0.000 0.985 424 E CA 0.503 56.806 56.400 -0.163 0.000 0.814 424 E CB 0.079 29.791 29.700 0.019 0.000 0.752 424 E HN 0.213 nan 8.360 nan 0.000 0.466 425 R N -0.111 120.304 120.500 -0.143 0.000 2.062 425 R HA -0.009 4.331 4.340 -0.000 0.000 0.229 425 R C 2.229 178.460 176.300 -0.115 0.000 1.128 425 R CA 0.916 56.943 56.100 -0.122 0.000 0.960 425 R CB -0.292 29.924 30.300 -0.139 0.000 0.855 425 R HN 0.186 nan 8.270 nan 0.000 0.432 426 L N -0.344 120.803 121.223 -0.127 0.000 2.156 426 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 426 L C 1.951 178.792 176.870 -0.049 0.000 1.095 426 L CA 1.272 56.062 54.840 -0.083 0.000 0.770 426 L CB -0.414 41.609 42.059 -0.060 0.000 0.914 426 L HN 0.278 nan 8.230 nan 0.000 0.439 427 T N -1.344 113.174 114.554 -0.061 0.000 2.674 427 T HA -0.274 4.076 4.350 -0.000 0.000 0.265 427 T C 1.812 176.508 174.700 -0.008 0.000 1.039 427 T CA 1.382 63.478 62.100 -0.006 0.000 1.150 427 T CB -0.165 68.726 68.868 0.038 0.000 0.864 427 T HN 0.162 nan 8.240 nan 0.000 0.427 428 Q N 0.570 120.358 119.800 -0.020 0.000 2.181 428 Q HA -0.031 4.309 4.340 -0.000 0.000 0.205 428 Q C 1.996 177.989 176.000 -0.012 0.000 0.980 428 Q CA 1.061 56.855 55.803 -0.015 0.000 0.862 428 Q CB -0.596 28.128 28.738 -0.023 0.000 0.905 428 Q HN 0.456 nan 8.270 nan 0.000 0.429 429 L N -0.885 120.326 121.223 -0.020 0.000 2.179 429 L HA 0.061 4.401 4.340 -0.000 0.000 0.208 429 L C 1.465 178.343 176.870 0.012 0.000 1.096 429 L CA 1.266 56.104 54.840 -0.002 0.000 0.779 429 L CB -0.068 41.979 42.059 -0.020 0.000 0.922 429 L HN 0.279 nan 8.230 nan 0.000 0.443 430 L N -0.673 120.552 121.223 0.004 0.000 2.599 430 L HA 0.010 4.350 4.340 -0.000 0.000 0.230 430 L C 0.907 177.774 176.870 -0.005 0.000 1.141 430 L CA 0.055 54.899 54.840 0.006 0.000 0.877 430 L CB -0.537 41.528 42.059 0.010 0.000 1.009 430 L HN 0.102 nan 8.230 nan 0.000 0.447 431 K N 1.066 121.459 120.400 -0.012 0.000 2.319 431 K HA 0.238 4.558 4.320 -0.000 0.000 0.265 431 K C -0.140 176.446 176.600 -0.024 0.000 1.000 431 K CA 0.232 56.501 56.287 -0.031 0.000 0.943 431 K CB 0.660 33.139 32.500 -0.035 0.000 0.950 431 K HN -0.035 nan 8.250 nan 0.000 0.485 432 Q N 1.703 121.476 119.800 -0.045 0.000 2.327 432 Q HA 0.164 4.504 4.340 -0.000 0.000 0.265 432 Q C -1.506 174.462 176.000 -0.053 0.000 0.993 432 Q CA -0.714 55.068 55.803 -0.034 0.000 0.885 432 Q CB 1.308 30.029 28.738 -0.030 0.000 1.379 432 Q HN 0.491 nan 8.270 nan 0.000 0.408 433 N N 1.935 120.617 118.700 -0.030 0.000 2.416 433 N HA 0.017 4.757 4.740 -0.000 0.000 0.246 433 N C -0.599 174.880 175.510 -0.051 0.000 1.260 433 N CA 0.128 53.163 53.050 -0.026 0.000 0.897 433 N CB 0.578 39.076 38.487 0.018 0.000 1.110 433 N HN 0.525 nan 8.380 nan 0.000 0.439 434 Q N 0.310 120.060 119.800 -0.084 0.000 2.454 434 Q HA 0.014 4.353 4.340 -0.000 0.000 0.247 434 Q C -0.332 175.595 176.000 -0.122 0.000 1.028 434 Q CA -0.066 55.584 55.803 -0.255 0.000 0.910 434 Q CB 0.224 28.686 28.738 -0.461 0.000 1.276 434 Q HN 0.618 nan 8.270 nan 0.000 0.489 435 Y N -0.767 119.502 120.300 -0.051 0.000 4.604 435 Y HA -0.272 4.278 4.550 -0.000 0.000 0.230 435 Y C -0.164 175.714 175.900 -0.036 0.000 1.066 435 Y CA 0.932 58.976 58.100 -0.094 0.000 1.990 435 Y CB -2.212 36.214 38.460 -0.057 0.000 1.619 435 Y HN 0.397 nan 8.280 nan 0.000 0.649 436 S N -0.205 115.533 115.700 0.065 0.000 2.204 436 S HA 0.366 4.836 4.470 -0.000 0.000 0.178 436 S C -2.537 172.075 174.600 0.019 0.000 1.493 436 S CA -0.984 57.249 58.200 0.055 0.000 1.266 436 S CB 1.158 64.391 63.200 0.055 0.000 1.232 436 S HN 0.071 nan 8.310 nan 0.000 0.406 437 P HA 0.350 nan 4.420 nan 0.000 0.279 437 P C -0.593 176.709 177.300 0.004 0.000 1.239 437 P CA -0.447 62.657 63.100 0.006 0.000 0.789 437 P CB 0.865 32.571 31.700 0.011 0.000 0.933 438 L N 1.921 123.149 121.223 0.008 0.000 2.325 438 L HA 0.531 4.871 4.340 -0.000 0.000 0.279 438 L C 1.021 177.895 176.870 0.006 0.000 1.054 438 L CA -1.086 53.755 54.840 0.002 0.000 0.804 438 L CB 1.154 43.218 42.059 0.009 0.000 1.200 438 L HN 0.416 nan 8.230 nan 0.000 0.436 439 A N 1.848 124.658 122.820 -0.017 0.000 2.483 439 A HA 0.177 4.497 4.320 -0.000 0.000 0.238 439 A C 1.239 178.837 177.584 0.022 0.000 1.070 439 A CA -0.067 51.964 52.037 -0.010 0.000 0.770 439 A CB 0.202 19.170 19.000 -0.054 0.000 1.008 439 A HN 0.890 nan 8.150 nan 0.000 0.497 440 T N 1.012 115.603 114.554 0.062 0.000 2.788 440 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 440 T C 1.647 176.364 174.700 0.027 0.000 1.044 440 T CA 1.638 63.772 62.100 0.057 0.000 1.139 440 T CB -0.186 68.731 68.868 0.081 0.000 0.867 440 T HN 0.893 nan 8.240 nan 0.000 0.454 441 E N 1.761 121.967 120.200 0.010 0.000 2.472 441 E HA -0.153 4.197 4.350 -0.000 0.000 0.200 441 E C 1.303 177.876 176.600 -0.044 0.000 1.046 441 E CA 0.973 57.362 56.400 -0.018 0.000 0.871 441 E CB -0.145 29.537 29.700 -0.031 0.000 0.806 441 E HN 0.606 nan 8.360 nan 0.000 0.533 442 E N 0.629 120.808 120.200 -0.035 0.000 2.166 442 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 442 E C 2.185 178.786 176.600 0.001 0.000 0.967 442 E CA 0.215 56.587 56.400 -0.046 0.000 0.840 442 E CB 0.065 29.736 29.700 -0.047 0.000 0.795 442 E HN 0.289 nan 8.360 nan 0.000 0.470 443 Q N 0.698 120.511 119.800 0.022 0.000 2.061 443 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 443 Q C 2.421 178.461 176.000 0.067 0.000 0.984 443 Q CA 1.492 57.323 55.803 0.047 0.000 0.846 443 Q CB -0.189 28.576 28.738 0.044 0.000 0.902 443 Q HN 0.132 nan 8.270 nan 0.000 0.421 444 V N 1.375 121.322 119.914 0.055 0.000 2.282 444 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 444 V C -0.858 175.310 176.094 0.124 0.000 1.057 444 V CA 2.181 64.524 62.300 0.072 0.000 1.032 444 V CB -1.418 30.428 31.823 0.039 0.000 0.645 444 V HN 0.304 nan 8.190 nan 0.000 0.447 445 P HA -0.016 nan 4.420 nan 0.000 0.222 445 P C 1.866 179.405 177.300 0.398 0.000 1.153 445 P CA 0.994 64.238 63.100 0.239 0.000 0.798 445 P CB 0.007 31.768 31.700 0.103 0.000 0.796 446 L N -1.103 120.297 121.223 0.294 0.000 2.083 446 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 446 L C 2.118 179.099 176.870 0.184 0.000 1.083 446 L CA 1.175 56.190 54.840 0.292 0.000 0.752 446 L CB -0.679 41.503 42.059 0.205 0.000 0.899 446 L HN -0.044 nan 8.230 nan 0.000 0.433 447 I N -1.282 119.377 120.570 0.148 0.000 2.406 447 I HA -0.268 3.902 4.170 -0.000 0.000 0.249 447 I C 2.415 178.587 176.117 0.091 0.000 1.122 447 I CA 1.345 62.698 61.300 0.089 0.000 1.431 447 I CB -1.011 37.032 38.000 0.071 0.000 1.087 447 I HN 0.236 nan 8.210 nan 0.000 0.424 448 Y N 2.278 122.608 120.300 0.050 0.000 2.165 448 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 448 Y C 2.609 178.537 175.900 0.047 0.000 1.155 448 Y CA 2.055 60.181 58.100 0.043 0.000 1.164 448 Y CB -0.183 38.306 38.460 0.049 0.000 0.978 448 Y HN 0.124 nan 8.280 nan 0.000 0.513 449 A N 0.059 122.972 122.820 0.156 0.000 1.933 449 A HA -0.084 4.235 4.320 -0.000 0.000 0.218 449 A C 2.410 179.960 177.584 -0.056 0.000 1.175 449 A CA 1.667 53.725 52.037 0.036 0.000 0.628 449 A CB -1.669 17.314 19.000 -0.029 0.000 0.814 449 A HN 0.605 nan 8.150 nan 0.000 0.444 450 G N -0.239 108.510 108.800 -0.084 0.000 2.637 450 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.215 450 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.215 450 G C 1.469 176.251 174.900 -0.196 0.000 1.289 450 G CA 1.550 46.566 45.100 -0.139 0.000 0.816 450 G HN 0.400 nan 8.290 nan 0.000 0.580 451 V N 1.686 121.471 119.914 -0.216 0.000 2.453 451 V HA -0.214 3.906 4.120 -0.000 0.000 0.252 451 V C 2.354 178.260 176.094 -0.313 0.000 1.068 451 V CA 1.892 64.017 62.300 -0.291 0.000 1.070 451 V CB -0.502 31.173 31.823 -0.247 0.000 0.664 451 V HN 0.372 nan 8.190 nan 0.000 0.461 452 N N -0.205 118.302 118.700 -0.321 0.000 2.424 452 N HA 0.086 4.826 4.740 -0.000 0.000 0.178 452 N C 1.583 176.895 175.510 -0.330 0.000 1.060 452 N CA 1.125 53.981 53.050 -0.324 0.000 0.901 452 N CB 1.065 39.314 38.487 -0.397 0.000 0.979 452 N HN 0.637 nan 8.380 nan 0.000 0.451 453 G N 0.340 108.972 108.800 -0.281 0.000 2.168 453 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.197 453 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.197 453 G C 0.411 175.140 174.900 -0.284 0.000 0.997 453 G CA 0.049 44.983 45.100 -0.276 0.000 0.658 453 G HN 0.429 nan 8.290 nan 0.000 0.513 454 H N 0.024 118.982 119.070 -0.186 0.000 2.518 454 H HA 0.199 4.755 4.556 -0.000 0.000 0.289 454 H C 2.536 177.726 175.328 -0.231 0.000 1.051 454 H CA 1.513 57.465 56.048 -0.161 0.000 1.280 454 H CB 0.034 29.726 29.762 -0.118 0.000 1.380 454 H HN 0.482 nan 8.280 nan 0.000 0.566 455 L N -0.348 120.753 121.223 -0.203 0.000 2.567 455 L HA 0.002 4.342 4.340 -0.000 0.000 0.225 455 L C 1.278 178.023 176.870 -0.208 0.000 1.119 455 L CA 0.072 54.724 54.840 -0.313 0.000 0.871 455 L CB 0.141 41.974 42.059 -0.377 0.000 1.036 455 L HN 0.122 nan 8.230 nan 0.000 0.459 456 D N 1.171 121.470 120.400 -0.168 0.000 2.190 456 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 456 D C 1.944 178.184 176.300 -0.100 0.000 0.992 456 D CA 1.497 55.419 54.000 -0.129 0.000 0.854 456 D CB -0.039 40.684 40.800 -0.128 0.000 0.936 456 D HN 0.316 nan 8.370 nan 0.000 0.462 457 G N -0.675 108.066 108.800 -0.097 0.000 3.434 457 G HA2 0.280 4.239 3.960 -0.000 0.000 0.258 457 G HA3 0.280 4.239 3.960 -0.000 0.000 0.258 457 G C 0.259 175.122 174.900 -0.062 0.000 1.128 457 G CA -0.280 44.779 45.100 -0.068 0.000 0.792 457 G HN 0.145 nan 8.290 nan 0.000 0.539 458 I N 0.630 121.149 120.570 -0.085 0.000 2.354 458 I HA 0.232 4.402 4.170 -0.000 0.000 0.292 458 I C 0.232 176.317 176.117 -0.052 0.000 0.989 458 I CA -0.795 60.463 61.300 -0.070 0.000 1.188 458 I CB 1.957 39.882 38.000 -0.125 0.000 1.342 458 I HN 0.002 nan 8.210 nan 0.000 0.457 459 E N 3.648 123.835 120.200 -0.022 0.000 2.502 459 E HA -0.093 4.257 4.350 -0.000 0.000 0.261 459 E C 0.753 177.347 176.600 -0.010 0.000 0.974 459 E CA -0.140 56.254 56.400 -0.011 0.000 0.936 459 E CB 0.881 30.582 29.700 0.003 0.000 0.926 459 E HN 0.492 nan 8.360 nan 0.000 0.459 460 L N 4.195 125.413 121.223 -0.010 0.000 2.083 460 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 460 L C 2.190 179.063 176.870 0.004 0.000 1.083 460 L CA 2.276 57.110 54.840 -0.010 0.000 0.752 460 L CB -0.407 41.649 42.059 -0.004 0.000 0.899 460 L HN 0.636 nan 8.230 nan 0.000 0.433 461 S N -1.776 113.932 115.700 0.014 0.000 2.607 461 S HA -0.043 4.427 4.470 -0.000 0.000 0.224 461 S C 1.907 176.529 174.600 0.037 0.000 0.969 461 S CA 0.254 58.468 58.200 0.023 0.000 0.927 461 S CB -0.363 62.850 63.200 0.022 0.000 0.772 461 S HN 0.503 nan 8.310 nan 0.000 0.533 462 R N -0.064 120.461 120.500 0.043 0.000 2.308 462 R HA 0.361 4.701 4.340 -0.000 0.000 0.202 462 R C 1.357 177.729 176.300 0.120 0.000 0.898 462 R CA 0.064 56.210 56.100 0.077 0.000 1.046 462 R CB -0.008 30.337 30.300 0.075 0.000 1.026 462 R HN 0.363 nan 8.270 nan 0.000 0.512 463 I N 0.391 121.004 120.570 0.071 0.000 2.315 463 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 463 I C 2.210 178.419 176.117 0.154 0.000 1.125 463 I CA 1.592 62.938 61.300 0.076 0.000 1.392 463 I CB -1.453 36.536 38.000 -0.019 0.000 1.065 463 I HN 0.227 nan 8.210 nan 0.000 0.424 464 G N 1.775 110.641 108.800 0.110 0.000 2.418 464 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 464 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 464 G C 1.446 176.422 174.900 0.127 0.000 1.158 464 G CA 0.911 46.072 45.100 0.102 0.000 0.771 464 G HN 0.634 nan 8.290 nan 0.000 0.545 465 E N -0.837 119.448 120.200 0.141 0.000 2.442 465 E HA 0.142 4.492 4.350 -0.000 0.000 0.195 465 E C 1.871 178.593 176.600 0.203 0.000 1.030 465 E CA -0.117 56.367 56.400 0.141 0.000 0.869 465 E CB -0.309 29.459 29.700 0.113 0.000 0.857 465 E HN 0.370 nan 8.360 nan 0.000 0.505 466 F N 2.229 122.247 119.950 0.113 0.000 2.060 466 F HA -0.068 4.459 4.527 -0.000 0.000 0.295 466 F C 2.249 178.130 175.800 0.135 0.000 1.120 466 F CA 1.971 60.070 58.000 0.166 0.000 1.205 466 F CB -0.249 38.822 39.000 0.117 0.000 0.986 466 F HN 0.032 nan 8.300 nan 0.000 0.470 467 E N 0.064 120.507 120.200 0.405 0.000 2.164 467 E HA -0.303 4.047 4.350 -0.000 0.000 0.206 467 E C 2.056 178.696 176.600 0.067 0.000 1.032 467 E CA 2.380 58.934 56.400 0.256 0.000 0.832 467 E CB -0.234 29.586 29.700 0.199 0.000 0.742 467 E HN 0.574 nan 8.360 nan 0.000 0.460 468 S N -0.561 115.169 115.700 0.050 0.000 2.377 468 S HA -0.020 4.450 4.470 -0.000 0.000 0.223 468 S C 2.217 176.796 174.600 -0.036 0.000 1.030 468 S CA 0.850 59.056 58.200 0.010 0.000 0.970 468 S CB 0.010 63.232 63.200 0.036 0.000 0.830 468 S HN 0.085 nan 8.310 nan 0.000 0.473 469 S N 1.087 116.771 115.700 -0.027 0.000 2.387 469 S HA 0.130 4.600 4.470 -0.000 0.000 0.226 469 S C 1.397 175.812 174.600 -0.309 0.000 1.026 469 S CA 0.561 58.761 58.200 -0.000 0.000 0.972 469 S CB -0.453 62.899 63.200 0.254 0.000 0.814 469 S HN 0.499 nan 8.310 nan 0.000 0.477 470 F N 2.571 121.939 119.950 -0.971 0.000 2.134 470 F HA -0.032 4.495 4.527 -0.000 0.000 0.299 470 F C 1.663 177.101 175.800 -0.604 0.000 1.097 470 F CA 1.147 58.280 58.000 -1.444 0.000 1.264 470 F CB -0.638 37.464 39.000 -1.496 0.000 1.001 470 F HN 0.123 nan 8.300 nan 0.000 0.479 471 L N -1.015 119.928 121.223 -0.467 0.000 2.027 471 L HA -0.212 4.128 4.340 -0.000 0.000 0.206 471 L C 2.621 179.342 176.870 -0.249 0.000 1.074 471 L CA 1.371 55.984 54.840 -0.378 0.000 0.745 471 L CB -1.154 40.779 42.059 -0.209 0.000 0.898 471 L HN 0.009 nan 8.230 nan 0.000 0.433 472 S N -0.869 114.739 115.700 -0.152 0.000 2.359 472 S HA -0.296 4.174 4.470 -0.000 0.000 0.223 472 S C 1.933 176.512 174.600 -0.035 0.000 1.039 472 S CA 1.892 60.053 58.200 -0.065 0.000 1.042 472 S CB -0.486 62.713 63.200 -0.002 0.000 0.915 472 S HN 0.462 nan 8.310 nan 0.000 0.439 473 Y N 1.695 121.906 120.300 -0.148 0.000 2.224 473 Y HA -0.077 4.473 4.550 -0.000 0.000 0.289 473 Y C 1.881 177.727 175.900 -0.090 0.000 1.146 473 Y CA 1.338 59.402 58.100 -0.059 0.000 1.182 473 Y CB -0.313 38.167 38.460 0.034 0.000 0.983 473 Y HN 0.164 nan 8.280 nan 0.000 0.524 474 L N 0.065 121.169 121.223 -0.200 0.000 2.141 474 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 474 L C 2.292 179.042 176.870 -0.200 0.000 1.094 474 L CA 1.472 56.158 54.840 -0.256 0.000 0.763 474 L CB -0.380 41.431 42.059 -0.414 0.000 0.908 474 L HN 0.125 nan 8.230 nan 0.000 0.437 475 K N -0.790 119.502 120.400 -0.180 0.000 2.288 475 K HA -0.054 4.266 4.320 -0.000 0.000 0.201 475 K C 2.057 178.575 176.600 -0.137 0.000 1.048 475 K CA 1.067 57.271 56.287 -0.139 0.000 0.956 475 K CB 0.132 32.563 32.500 -0.114 0.000 0.746 475 K HN 0.264 nan 8.250 nan 0.000 0.461 476 S N 1.148 116.747 115.700 -0.167 0.000 2.310 476 S HA -0.020 4.450 4.470 -0.000 0.000 0.205 476 S C 1.495 175.960 174.600 -0.225 0.000 1.020 476 S CA 0.956 59.055 58.200 -0.168 0.000 0.939 476 S CB -0.391 62.718 63.200 -0.151 0.000 0.919 476 S HN 0.263 nan 8.310 nan 0.000 0.501 477 N N 0.866 119.355 118.700 -0.353 0.000 2.250 477 N HA 0.005 4.745 4.740 -0.000 0.000 0.181 477 N C 0.505 175.701 175.510 -0.524 0.000 1.017 477 N CA 0.912 53.689 53.050 -0.456 0.000 0.866 477 N CB -0.086 38.027 38.487 -0.623 0.000 0.985 477 N HN 0.437 nan 8.380 nan 0.000 0.429 478 H N -0.082 118.821 119.070 -0.279 0.000 2.507 478 H HA 0.214 4.770 4.556 -0.000 0.000 0.271 478 H C 0.478 175.709 175.328 -0.161 0.000 1.224 478 H CA -0.207 55.727 56.048 -0.189 0.000 1.000 478 H CB 0.017 29.675 29.762 -0.173 0.000 1.663 478 H HN 0.331 nan 8.280 nan 0.000 0.548 479 N N 1.501 120.146 118.700 -0.092 0.000 2.142 479 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 479 N C 1.198 176.671 175.510 -0.061 0.000 1.023 479 N CA 1.168 54.169 53.050 -0.083 0.000 0.852 479 N CB 0.531 38.963 38.487 -0.092 0.000 0.998 479 N HN 0.492 nan 8.380 nan 0.000 0.424 480 E N 0.526 120.693 120.200 -0.056 0.000 2.478 480 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 480 E C 1.825 178.409 176.600 -0.026 0.000 1.046 480 E CA 0.259 56.634 56.400 -0.041 0.000 0.870 480 E CB -0.171 29.503 29.700 -0.043 0.000 0.818 480 E HN 0.215 nan 8.360 nan 0.000 0.527 481 L N 0.850 122.065 121.223 -0.013 0.000 2.023 481 L HA 0.038 4.378 4.340 -0.000 0.000 0.205 481 L C 1.931 178.778 176.870 -0.040 0.000 1.073 481 L CA 1.574 56.406 54.840 -0.014 0.000 0.745 481 L CB -0.853 41.212 42.059 0.010 0.000 0.900 481 L HN 0.273 nan 8.230 nan 0.000 0.435 482 L N -0.946 120.245 121.223 -0.053 0.000 2.079 482 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 482 L C 2.373 179.215 176.870 -0.048 0.000 1.081 482 L CA 1.663 56.464 54.840 -0.066 0.000 0.752 482 L CB -1.104 40.903 42.059 -0.088 0.000 0.896 482 L HN 0.280 nan 8.230 nan 0.000 0.433 483 T N -0.725 113.803 114.554 -0.043 0.000 2.684 483 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 483 T C 1.812 176.499 174.700 -0.022 0.000 1.036 483 T CA 1.290 63.370 62.100 -0.033 0.000 1.148 483 T CB -0.118 68.730 68.868 -0.033 0.000 0.863 483 T HN 0.316 nan 8.240 nan 0.000 0.436 484 E N 0.667 120.853 120.200 -0.023 0.000 2.049 484 E HA -0.126 4.223 4.350 -0.000 0.000 0.198 484 E C 2.279 178.870 176.600 -0.015 0.000 1.007 484 E CA 1.178 57.567 56.400 -0.018 0.000 0.809 484 E CB -0.414 29.273 29.700 -0.020 0.000 0.749 484 E HN 0.534 nan 8.360 nan 0.000 0.450 485 I N 0.548 121.105 120.570 -0.021 0.000 2.163 485 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 485 I C 2.836 178.953 176.117 0.000 0.000 1.085 485 I CA 1.285 62.575 61.300 -0.015 0.000 1.347 485 I CB -0.375 37.609 38.000 -0.027 0.000 1.044 485 I HN 0.038 nan 8.210 nan 0.000 0.408 486 R N 1.054 121.553 120.500 -0.002 0.000 2.152 486 R HA -0.166 4.174 4.340 -0.000 0.000 0.232 486 R C 1.826 178.145 176.300 0.031 0.000 1.117 486 R CA 1.653 57.763 56.100 0.016 0.000 0.981 486 R CB 0.068 30.366 30.300 -0.004 0.000 0.870 486 R HN 0.424 nan 8.270 nan 0.000 0.451 487 E N -0.959 119.250 120.200 0.016 0.000 2.256 487 E HA 0.046 4.396 4.350 -0.000 0.000 0.198 487 E C 1.674 178.284 176.600 0.016 0.000 0.908 487 E CA -0.044 56.368 56.400 0.020 0.000 0.915 487 E CB 0.439 30.145 29.700 0.010 0.000 0.890 487 E HN 0.062 nan 8.360 nan 0.000 0.484 488 K N 0.041 120.445 120.400 0.008 0.000 2.062 488 K HA 0.007 4.327 4.320 -0.000 0.000 0.205 488 K C 1.188 177.793 176.600 0.008 0.000 1.051 488 K CA 1.108 57.399 56.287 0.006 0.000 0.941 488 K CB -0.216 32.284 32.500 0.001 0.000 0.719 488 K HN 0.289 nan 8.250 nan 0.000 0.440 489 G N 2.341 111.148 108.800 0.010 0.000 2.256 489 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.272 489 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.272 489 G C -0.264 174.641 174.900 0.008 0.000 1.076 489 G CA 0.815 45.923 45.100 0.012 0.000 0.882 489 G HN 0.374 nan 8.290 nan 0.000 0.497 490 E N -1.429 118.774 120.200 0.005 0.000 2.392 490 E HA 0.462 4.812 4.350 -0.000 0.000 0.281 490 E C -1.135 175.465 176.600 -0.001 0.000 1.088 490 E CA -0.979 55.424 56.400 0.005 0.000 0.850 490 E CB 0.910 30.613 29.700 0.004 0.000 1.267 490 E HN 0.305 nan 8.360 nan 0.000 0.438 491 L N 3.041 124.264 121.223 0.000 0.000 2.366 491 L HA 0.371 4.711 4.340 -0.000 0.000 0.266 491 L C 0.037 176.905 176.870 -0.004 0.000 1.010 491 L CA -0.810 54.024 54.840 -0.009 0.000 0.879 491 L CB 1.416 43.467 42.059 -0.015 0.000 1.228 491 L HN 0.470 nan 8.230 nan 0.000 0.439 492 S N 1.131 116.828 115.700 -0.006 0.000 2.576 492 S HA 0.174 4.644 4.470 -0.000 0.000 0.276 492 S C 0.990 175.588 174.600 -0.003 0.000 1.339 492 S CA -0.561 57.639 58.200 -0.002 0.000 1.039 492 S CB 1.188 64.387 63.200 -0.002 0.000 0.902 492 S HN 0.639 nan 8.310 nan 0.000 0.516 493 K N 1.396 121.798 120.400 0.004 0.000 2.366 493 K HA -0.176 4.144 4.320 -0.000 0.000 0.202 493 K C 1.617 178.218 176.600 0.003 0.000 1.045 493 K CA 1.846 58.137 56.287 0.008 0.000 0.934 493 K CB -0.169 32.339 32.500 0.014 0.000 0.746 493 K HN 0.696 nan 8.250 nan 0.000 0.470 494 E N 0.691 120.890 120.200 -0.002 0.000 2.028 494 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 494 E C 1.796 178.386 176.600 -0.017 0.000 0.984 494 E CA 0.787 57.185 56.400 -0.004 0.000 0.800 494 E CB -0.200 29.499 29.700 -0.002 0.000 0.758 494 E HN 0.137 nan 8.360 nan 0.000 0.448 495 L N 0.457 121.665 121.223 -0.026 0.000 2.081 495 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 495 L C 2.340 179.154 176.870 -0.093 0.000 1.080 495 L CA 0.938 55.748 54.840 -0.050 0.000 0.754 495 L CB -0.397 41.635 42.059 -0.046 0.000 0.893 495 L HN 0.189 nan 8.230 nan 0.000 0.433 496 L N -0.594 120.580 121.223 -0.082 0.000 2.012 496 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 496 L C 2.820 179.614 176.870 -0.127 0.000 1.073 496 L CA 1.514 56.280 54.840 -0.122 0.000 0.748 496 L CB -0.627 41.421 42.059 -0.018 0.000 0.891 496 L HN 0.259 nan 8.230 nan 0.000 0.431 497 A N -1.564 121.229 122.820 -0.044 0.000 1.930 497 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 497 A C 2.508 180.074 177.584 -0.030 0.000 1.175 497 A CA 1.937 53.967 52.037 -0.012 0.000 0.627 497 A CB -0.672 18.336 19.000 0.012 0.000 0.815 497 A HN 0.357 nan 8.150 nan 0.000 0.443 498 S N -0.826 114.850 115.700 -0.041 0.000 2.368 498 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 498 S C 1.908 176.457 174.600 -0.085 0.000 1.030 498 S CA 1.514 59.698 58.200 -0.027 0.000 0.999 498 S CB -0.404 62.790 63.200 -0.010 0.000 0.844 498 S HN 0.471 nan 8.310 nan 0.000 0.459 499 L N 2.078 123.199 121.223 -0.170 0.000 2.027 499 L HA 0.075 4.415 4.340 -0.000 0.000 0.206 499 L C 2.232 178.938 176.870 -0.273 0.000 1.074 499 L CA 2.067 56.745 54.840 -0.271 0.000 0.745 499 L CB -0.895 40.907 42.059 -0.428 0.000 0.898 499 L HN 0.237 nan 8.230 nan 0.000 0.433 500 K N -1.222 119.019 120.400 -0.265 0.000 2.032 500 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 500 K C 2.345 178.954 176.600 0.015 0.000 1.048 500 K CA 1.773 58.045 56.287 -0.025 0.000 0.927 500 K CB -0.348 32.232 32.500 0.133 0.000 0.712 500 K HN 0.409 nan 8.250 nan 0.000 0.441 501 S N -0.362 115.344 115.700 0.011 0.000 2.368 501 S HA -0.078 4.392 4.470 -0.000 0.000 0.224 501 S C 1.929 176.554 174.600 0.041 0.000 1.029 501 S CA 1.141 59.369 58.200 0.047 0.000 0.988 501 S CB -0.277 62.959 63.200 0.060 0.000 0.838 501 S HN 0.473 nan 8.310 nan 0.000 0.462 502 A N 0.482 123.273 122.820 -0.049 0.000 1.969 502 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 502 A C 2.262 179.883 177.584 0.062 0.000 1.169 502 A CA 1.994 53.925 52.037 -0.177 0.000 0.635 502 A CB -1.258 17.338 19.000 -0.674 0.000 0.810 502 A HN 0.603 nan 8.150 nan 0.000 0.445 503 T N -0.114 114.472 114.554 0.053 0.000 2.612 503 T HA -0.128 4.222 4.350 -0.000 0.000 0.259 503 T C 1.726 176.433 174.700 0.011 0.000 1.065 503 T CA 1.412 63.533 62.100 0.036 0.000 1.167 503 T CB -0.412 68.343 68.868 -0.188 0.000 0.863 503 T HN 0.602 nan 8.240 nan 0.000 0.407 504 E N 0.780 120.978 120.200 -0.004 0.000 2.169 504 E HA -0.200 4.150 4.350 -0.000 0.000 0.202 504 E C 2.382 179.031 176.600 0.082 0.000 1.016 504 E CA 1.326 57.781 56.400 0.093 0.000 0.817 504 E CB -0.197 29.583 29.700 0.133 0.000 0.736 504 E HN 0.320 nan 8.360 nan 0.000 0.462 505 S N -0.516 115.239 115.700 0.091 0.000 2.368 505 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 505 S C 1.620 176.209 174.600 -0.019 0.000 1.029 505 S CA 0.888 59.136 58.200 0.080 0.000 0.988 505 S CB -0.226 63.086 63.200 0.186 0.000 0.838 505 S HN 0.375 nan 8.310 nan 0.000 0.462 506 F N 1.734 121.552 119.950 -0.220 0.000 2.259 506 F HA 0.036 4.563 4.527 -0.000 0.000 0.298 506 F C 1.977 177.674 175.800 -0.171 0.000 1.088 506 F CA 0.888 58.664 58.000 -0.374 0.000 1.358 506 F CB -0.274 38.450 39.000 -0.460 0.000 1.040 506 F HN 0.023 nan 8.300 nan 0.000 0.505 507 V N 0.637 120.573 119.914 0.036 0.000 2.332 507 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 507 V C 2.021 178.072 176.094 -0.071 0.000 1.055 507 V CA 1.636 63.974 62.300 0.064 0.000 1.038 507 V CB -1.491 30.408 31.823 0.127 0.000 0.651 507 V HN 0.402 nan 8.190 nan 0.000 0.450 508 A N 1.008 123.773 122.820 -0.092 0.000 3.033 508 A HA 0.340 4.660 4.320 -0.000 0.000 0.250 508 A C 1.143 178.598 177.584 -0.215 0.000 1.633 508 A CA 0.451 52.420 52.037 -0.113 0.000 1.290 508 A CB -1.461 17.504 19.000 -0.058 0.000 1.048 508 A HN 0.729 nan 8.150 nan 0.000 0.648 509 T N 0.000 114.327 114.554 -0.378 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.738 62.100 -0.603 0.000 1.349 509 T CB 0.000 68.577 68.868 -0.485 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658