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 2wpd_1_C 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 AQFGSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVATF 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 -0.055 0.000 1.280 26 N CA 0.000 53.031 53.050 -0.032 0.000 0.885 26 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 27 L N 1.728 122.904 121.223 -0.078 0.000 2.599 27 L HA 0.206 4.755 4.340 0.348 0.000 0.230 27 L C 0.992 177.775 176.870 -0.144 0.000 1.141 27 L CA 0.386 55.144 54.840 -0.136 0.000 0.877 27 L CB -0.352 41.577 42.059 -0.217 0.000 1.009 27 L HN 0.252 nan 8.230 nan 0.000 0.447 28 N N 0.647 119.287 118.700 -0.100 0.000 2.166 28 N HA -0.154 4.794 4.740 0.348 0.000 0.186 28 N C 1.216 176.678 175.510 -0.081 0.000 1.019 28 N CA 1.209 54.207 53.050 -0.086 0.000 0.856 28 N CB 0.119 38.571 38.487 -0.058 0.000 0.993 28 N HN 0.410 nan 8.380 nan 0.000 0.426 29 E N -0.109 120.047 120.200 -0.074 0.000 2.526 29 E HA 0.106 4.664 4.350 0.348 0.000 0.208 29 E C 0.366 176.919 176.600 -0.080 0.000 0.997 29 E CA 0.146 56.507 56.400 -0.065 0.000 0.961 29 E CB 0.818 30.491 29.700 -0.046 0.000 1.030 29 E HN 0.376 nan 8.360 nan 0.000 0.483 30 T N -2.624 111.870 114.554 -0.101 0.000 2.787 30 T HA 0.787 5.346 4.350 0.348 0.000 0.297 30 T C 0.067 174.677 174.700 -0.150 0.000 1.221 30 T CA -0.709 61.324 62.100 -0.113 0.000 1.006 30 T CB 2.446 71.264 68.868 -0.083 0.000 1.328 30 T HN 0.014 nan 8.240 nan 0.000 0.509 31 G N -0.041 108.668 108.800 -0.152 0.000 2.632 31 G HA2 0.616 4.785 3.960 0.348 0.000 0.292 31 G HA3 0.616 4.785 3.960 0.348 0.000 0.292 31 G C -1.854 172.991 174.900 -0.092 0.000 1.465 31 G CA -1.093 43.911 45.100 -0.160 0.000 0.824 31 G HN 0.769 nan 8.290 nan 0.000 0.509 32 R N -0.047 120.456 120.500 0.006 0.000 2.514 32 R HA 0.564 5.113 4.340 0.348 0.000 0.301 32 R C -0.315 176.036 176.300 0.084 0.000 0.962 32 R CA -0.733 55.402 56.100 0.058 0.000 0.882 32 R CB 2.424 32.796 30.300 0.121 0.000 1.143 32 R HN 0.321 nan 8.270 nan 0.000 0.452 33 V N 5.253 125.202 119.914 0.060 0.000 2.521 33 V HA -0.004 4.325 4.120 0.348 0.000 0.286 33 V C 1.387 177.535 176.094 0.089 0.000 1.034 33 V CA 0.357 62.712 62.300 0.091 0.000 1.045 33 V CB 0.793 32.698 31.823 0.136 0.000 0.974 33 V HN 0.751 nan 8.190 nan 0.000 0.480 34 L N 3.780 125.056 121.223 0.089 0.000 2.221 34 L HA 0.449 4.997 4.340 0.348 0.000 0.202 34 L C 0.949 177.844 176.870 0.041 0.000 1.074 34 L CA 1.025 55.899 54.840 0.056 0.000 0.795 34 L CB -0.002 42.087 42.059 0.051 0.000 0.960 34 L HN 0.764 nan 8.230 nan 0.000 0.458 35 A N -0.782 122.069 122.820 0.051 0.000 2.594 35 A HA 0.719 5.248 4.320 0.348 0.000 0.291 35 A C -1.619 175.994 177.584 0.047 0.000 1.105 35 A CA -0.409 51.651 52.037 0.038 0.000 0.694 35 A CB 2.343 21.357 19.000 0.022 0.000 1.291 35 A HN -0.186 nan 8.150 nan 0.000 0.410 36 V N -0.401 119.531 119.914 0.030 0.000 3.023 36 V HA 0.846 5.174 4.120 0.348 0.000 0.294 36 V C -0.432 175.661 176.094 -0.002 0.000 1.324 36 V CA 0.857 63.169 62.300 0.019 0.000 0.979 36 V CB 1.988 33.829 31.823 0.029 0.000 1.093 36 V HN 2.542 nan 8.190 nan 0.000 0.434 37 G N 3.273 112.063 108.800 -0.017 0.000 2.402 37 G HA2 0.489 4.658 3.960 0.348 0.000 0.301 37 G HA3 0.489 4.658 3.960 0.348 0.000 0.301 37 G C -0.715 174.167 174.900 -0.031 0.000 1.615 37 G CA 0.177 45.264 45.100 -0.022 0.000 0.889 37 G HN 1.059 nan 8.290 nan 0.000 0.647 38 D N -0.480 119.901 120.400 -0.032 0.000 2.945 38 D HA -0.183 4.666 4.640 0.348 0.000 0.225 38 D C 1.666 177.940 176.300 -0.044 0.000 1.158 38 D CA 2.934 56.914 54.000 -0.034 0.000 0.805 38 D CB -1.173 39.607 40.800 -0.033 0.000 1.098 38 D HN 2.342 nan 8.370 nan 0.000 0.426 39 G N -1.123 107.644 108.800 -0.055 0.000 2.179 39 G HA2 -0.301 3.867 3.960 0.348 0.000 0.260 39 G HA3 -0.301 3.867 3.960 0.348 0.000 0.260 39 G C 0.236 175.083 174.900 -0.089 0.000 0.977 39 G CA 0.426 45.480 45.100 -0.076 0.000 0.641 39 G HN 0.458 nan 8.290 nan 0.000 0.533 40 I N 0.892 121.423 120.570 -0.064 0.000 2.460 40 I HA 0.750 5.129 4.170 0.348 0.000 0.298 40 I C 0.404 176.508 176.117 -0.021 0.000 0.989 40 I CA -0.868 60.403 61.300 -0.048 0.000 1.173 40 I CB 1.542 39.520 38.000 -0.037 0.000 1.338 40 I HN 0.548 nan 8.210 nan 0.000 0.456 41 A N 6.619 129.449 122.820 0.017 0.000 2.446 41 A HA 0.595 5.123 4.320 0.348 0.000 0.282 41 A C -0.423 177.223 177.584 0.104 0.000 1.102 41 A CA -0.774 51.314 52.037 0.086 0.000 0.737 41 A CB 0.746 19.852 19.000 0.176 0.000 1.212 41 A HN 0.680 nan 8.150 nan 0.000 0.434 42 R N 1.858 122.405 120.500 0.078 0.000 2.325 42 R HA 0.404 4.953 4.340 0.348 0.000 0.323 42 R C -0.556 175.799 176.300 0.092 0.000 1.177 42 R CA -0.139 56.004 56.100 0.071 0.000 1.018 42 R CB 0.687 31.018 30.300 0.052 0.000 1.070 42 R HN 0.437 nan 8.270 nan 0.000 0.495 43 V N 4.234 124.198 119.914 0.083 0.000 2.567 43 V HA 0.266 4.594 4.120 0.348 0.000 0.289 43 V C -0.184 175.971 176.094 0.100 0.000 1.049 43 V CA -0.688 61.650 62.300 0.063 0.000 0.969 43 V CB 1.041 32.841 31.823 -0.039 0.000 0.995 43 V HN 0.457 nan 8.190 nan 0.000 0.471 44 F N 3.435 123.367 119.950 -0.029 0.000 2.404 44 F HA 0.815 5.551 4.527 0.347 0.000 0.339 44 F C 0.590 176.368 175.800 -0.036 0.000 1.105 44 F CA 0.724 58.708 58.000 -0.026 0.000 1.087 44 F CB 1.060 40.049 39.000 -0.018 0.000 1.143 44 F HN 0.890 nan 8.300 nan 0.000 0.491 45 G N 4.025 112.215 108.800 -1.017 0.000 2.443 45 G HA2 -0.092 4.077 3.960 0.348 0.000 0.209 45 G HA3 -0.092 4.077 3.960 0.348 0.000 0.209 45 G C -0.299 174.374 174.900 -0.378 0.000 1.176 45 G CA -0.530 44.069 45.100 -0.834 0.000 1.074 45 G HN 1.426 nan 8.290 nan 0.000 0.577 46 L N -0.130 120.932 121.223 -0.267 0.000 3.746 46 L HA -0.157 4.391 4.340 0.348 0.000 0.542 46 L C 0.650 177.442 176.870 -0.129 0.000 1.268 46 L CA 0.515 55.257 54.840 -0.164 0.000 0.818 46 L CB -1.106 40.872 42.059 -0.134 0.000 1.472 46 L HN 0.620 nan 8.230 nan 0.000 0.843 47 N N 0.781 119.405 118.700 -0.125 0.000 2.276 47 N HA 0.093 5.041 4.740 0.348 0.000 0.212 47 N C 0.585 176.061 175.510 -0.058 0.000 1.127 47 N CA 0.178 53.175 53.050 -0.087 0.000 0.834 47 N CB 0.364 38.798 38.487 -0.089 0.000 1.014 47 N HN 0.596 nan 8.380 nan 0.000 0.491 48 N N -0.077 118.590 118.700 -0.055 0.000 2.081 48 N HA 0.202 5.150 4.740 0.348 0.000 0.230 48 N C -0.109 175.383 175.510 -0.030 0.000 1.351 48 N CA -0.258 52.769 53.050 -0.037 0.000 0.840 48 N CB 1.511 39.976 38.487 -0.036 0.000 1.189 48 N HN 0.199 nan 8.380 nan 0.000 0.503 49 I N 1.189 121.738 120.570 -0.035 0.000 2.696 49 I HA 0.054 4.432 4.170 0.348 0.000 0.284 49 I C 0.136 176.247 176.117 -0.010 0.000 1.129 49 I CA -0.126 61.160 61.300 -0.023 0.000 1.410 49 I CB 0.740 38.721 38.000 -0.030 0.000 1.399 49 I HN 0.112 nan 8.210 nan 0.000 0.579 50 Q N 4.624 124.425 119.800 0.001 0.000 2.222 50 Q HA 0.538 5.086 4.340 0.348 0.000 0.211 50 Q C -0.353 175.657 176.000 0.016 0.000 1.013 50 Q CA -0.937 54.871 55.803 0.009 0.000 0.993 50 Q CB 0.876 29.622 28.738 0.013 0.000 1.151 50 Q HN 0.781 nan 8.270 nan 0.000 0.544 51 A N 0.758 123.590 122.820 0.021 0.000 2.362 51 A HA 0.191 4.720 4.320 0.348 0.000 0.276 51 A C -0.241 177.368 177.584 0.042 0.000 1.153 51 A CA -0.020 52.035 52.037 0.030 0.000 0.813 51 A CB -0.142 18.876 19.000 0.030 0.000 1.081 51 A HN 0.859 nan 8.150 nan 0.000 0.507 52 E N -0.167 120.065 120.200 0.054 0.000 2.694 52 E HA -0.190 4.369 4.350 0.348 0.000 0.272 52 E C -0.015 176.633 176.600 0.079 0.000 1.040 52 E CA 1.158 57.604 56.400 0.076 0.000 0.809 52 E CB -1.210 28.536 29.700 0.076 0.000 1.389 52 E HN 0.887 nan 8.360 nan 0.000 0.413 53 E N 0.788 121.028 120.200 0.066 0.000 2.277 53 E HA 0.369 4.928 4.350 0.348 0.000 0.274 53 E C -0.440 176.216 176.600 0.093 0.000 1.022 53 E CA -0.760 55.680 56.400 0.067 0.000 0.853 53 E CB 0.872 30.596 29.700 0.041 0.000 1.086 53 E HN 0.099 nan 8.360 nan 0.000 0.397 54 L N 5.002 126.293 121.223 0.113 0.000 2.417 54 L HA 0.313 4.861 4.340 0.348 0.000 0.268 54 L C -0.727 176.217 176.870 0.123 0.000 1.158 54 L CA -0.006 54.931 54.840 0.162 0.000 0.819 54 L CB 1.262 43.424 42.059 0.171 0.000 1.112 54 L HN 0.428 nan 8.230 nan 0.000 0.458 55 V N 0.977 120.984 119.914 0.154 0.000 3.130 55 V HA 0.739 5.067 4.120 0.348 0.000 0.310 55 V C -1.016 175.194 176.094 0.193 0.000 1.158 55 V CA -0.831 61.539 62.300 0.116 0.000 1.029 55 V CB 2.116 33.973 31.823 0.056 0.000 1.057 55 V HN 0.810 nan 8.190 nan 0.000 0.436 56 E N 1.209 121.493 120.200 0.139 0.000 2.246 56 E HA 0.595 5.153 4.350 0.348 0.000 0.266 56 E C -1.730 174.979 176.600 0.182 0.000 0.880 56 E CA -0.448 56.082 56.400 0.217 0.000 0.762 56 E CB 2.336 32.116 29.700 0.133 0.000 1.180 56 E HN 0.589 nan 8.360 nan 0.000 0.416 57 F N 0.507 120.474 119.950 0.027 0.000 2.362 57 F HA 0.136 4.871 4.527 0.347 0.000 0.311 57 F C 1.974 177.786 175.800 0.021 0.000 1.161 57 F CA -0.432 57.580 58.000 0.019 0.000 1.085 57 F CB 0.970 39.980 39.000 0.016 0.000 1.311 57 F HN 0.413 nan 8.300 nan 0.000 0.524 58 S N -0.317 115.500 115.700 0.194 0.000 2.402 58 S HA -0.170 4.508 4.470 0.348 0.000 0.229 58 S C 2.297 176.965 174.600 0.113 0.000 1.021 58 S CA 1.577 59.845 58.200 0.112 0.000 0.974 58 S CB -0.415 62.832 63.200 0.078 0.000 0.800 58 S HN 0.638 nan 8.310 nan 0.000 0.484 59 S N -0.536 115.250 115.700 0.142 0.000 2.419 59 S HA 0.100 4.778 4.470 0.348 0.000 0.233 59 S C 1.488 176.133 174.600 0.076 0.000 1.016 59 S CA 1.846 60.100 58.200 0.090 0.000 0.974 59 S CB -0.530 62.711 63.200 0.067 0.000 0.786 59 S HN 1.105 nan 8.310 nan 0.000 0.492 60 G N -0.607 108.254 108.800 0.103 0.000 2.278 60 G HA2 -0.210 3.959 3.960 0.348 0.000 0.210 60 G HA3 -0.210 3.959 3.960 0.348 0.000 0.210 60 G C 0.270 175.227 174.900 0.095 0.000 1.000 60 G CA 0.034 45.185 45.100 0.086 0.000 0.635 60 G HN 0.931 nan 8.290 nan 0.000 0.495 61 V N 2.450 122.408 119.914 0.073 0.000 2.637 61 V HA 0.559 4.887 4.120 0.348 0.000 0.296 61 V C 0.619 176.774 176.094 0.102 0.000 1.046 61 V CA 0.107 62.431 62.300 0.040 0.000 1.066 61 V CB 0.883 32.657 31.823 -0.081 0.000 0.968 61 V HN 0.349 nan 8.190 nan 0.000 0.483 62 K N 4.555 125.062 120.400 0.179 0.000 2.109 62 K HA 0.785 5.313 4.320 0.348 0.000 0.243 62 K C 0.076 176.786 176.600 0.185 0.000 1.006 62 K CA -0.052 56.409 56.287 0.290 0.000 0.917 62 K CB 1.647 34.370 32.500 0.372 0.000 1.081 62 K HN 0.933 nan 8.250 nan 0.000 0.468 63 G N 0.265 109.158 108.800 0.155 0.000 2.682 63 G HA2 0.581 4.749 3.960 0.348 0.000 0.290 63 G HA3 0.581 4.749 3.960 0.348 0.000 0.290 63 G C -1.836 172.979 174.900 -0.143 0.000 1.425 63 G CA -0.735 44.251 45.100 -0.190 0.000 0.807 63 G HN 0.485 nan 8.290 nan 0.000 0.482 64 M N 1.028 120.467 119.600 -0.268 0.000 2.263 64 M HA 0.686 5.375 4.480 0.348 0.000 0.295 64 M C -0.556 175.736 176.300 -0.012 0.000 1.028 64 M CA -0.828 54.433 55.300 -0.065 0.000 0.921 64 M CB 1.927 34.509 32.600 -0.030 0.000 1.601 64 M HN 0.767 nan 8.290 nan 0.000 0.440 65 A N 5.569 128.411 122.820 0.035 0.000 2.302 65 A HA 0.550 5.079 4.320 0.348 0.000 0.295 65 A C -0.114 177.493 177.584 0.037 0.000 1.235 65 A CA -0.491 51.564 52.037 0.030 0.000 0.876 65 A CB 0.043 19.058 19.000 0.026 0.000 1.133 65 A HN 1.078 nan 8.150 nan 0.000 0.533 66 L N 1.795 123.034 121.223 0.026 0.000 2.653 66 L HA 0.216 4.764 4.340 0.348 0.000 0.230 66 L C 0.131 177.015 176.870 0.023 0.000 1.055 66 L CA 0.071 54.931 54.840 0.034 0.000 0.880 66 L CB 0.087 42.160 42.059 0.023 0.000 1.195 66 L HN 0.551 nan 8.230 nan 0.000 0.492 67 N N 1.625 120.332 118.700 0.012 0.000 2.476 67 N HA 0.431 5.379 4.740 0.348 0.000 0.257 67 N C -1.037 174.479 175.510 0.012 0.000 0.970 67 N CA -0.097 52.959 53.050 0.009 0.000 0.938 67 N CB 2.222 40.709 38.487 0.001 0.000 1.144 67 N HN 0.040 nan 8.380 nan 0.000 0.500 68 L N 2.436 123.666 121.223 0.012 0.000 2.262 68 L HA 0.414 4.963 4.340 0.348 0.000 0.288 68 L C 0.316 177.193 176.870 0.011 0.000 1.035 68 L CA -0.267 54.578 54.840 0.010 0.000 0.820 68 L CB 0.735 42.799 42.059 0.008 0.000 1.204 68 L HN 0.301 nan 8.230 nan 0.000 0.424 69 E N 3.387 123.596 120.200 0.015 0.000 2.343 69 E HA 0.335 4.893 4.350 0.348 0.000 0.270 69 E C -1.946 174.671 176.600 0.029 0.000 0.895 69 E CA -1.741 54.672 56.400 0.021 0.000 0.767 69 E CB 2.262 31.976 29.700 0.024 0.000 1.248 69 E HN 0.235 nan 8.360 nan 0.000 0.440 70 P HA -0.178 nan 4.420 nan 0.000 0.213 70 P C 1.292 178.643 177.300 0.085 0.000 1.170 70 P CA 1.489 64.616 63.100 0.045 0.000 0.898 70 P CB 0.030 31.753 31.700 0.038 0.000 0.787 71 G N -0.486 108.365 108.800 0.085 0.000 2.514 71 G HA2 -0.169 3.999 3.960 0.348 0.000 0.217 71 G HA3 -0.169 3.999 3.960 0.348 0.000 0.217 71 G C 0.734 175.753 174.900 0.199 0.000 1.198 71 G CA 0.958 46.130 45.100 0.120 0.000 0.780 71 G HN 0.427 nan 8.290 nan 0.000 0.565 72 Q N -1.274 118.604 119.800 0.128 0.000 2.626 72 Q HA 0.593 5.142 4.340 0.348 0.000 0.300 72 Q C -1.939 174.099 176.000 0.064 0.000 0.988 72 Q CA -0.790 55.093 55.803 0.132 0.000 0.761 72 Q CB 1.683 30.491 28.738 0.116 0.000 1.494 72 Q HN 0.121 nan 8.270 nan 0.000 0.439 73 V N 0.358 120.300 119.914 0.046 0.000 2.495 73 V HA 0.657 4.985 4.120 0.348 0.000 0.298 73 V C 0.233 176.345 176.094 0.029 0.000 1.031 73 V CA -0.318 61.994 62.300 0.022 0.000 0.871 73 V CB 1.641 33.461 31.823 -0.005 0.000 0.988 73 V HN 0.846 nan 8.190 nan 0.000 0.432 74 G N 5.119 113.932 108.800 0.022 0.000 2.333 74 G HA2 0.649 4.818 3.960 0.348 0.000 0.290 74 G HA3 0.649 4.818 3.960 0.348 0.000 0.290 74 G C -0.673 174.238 174.900 0.019 0.000 1.150 74 G CA -0.193 44.918 45.100 0.019 0.000 0.895 74 G HN 0.586 nan 8.290 nan 0.000 0.444 75 I N 1.892 122.481 120.570 0.033 0.000 2.608 75 I HA 0.369 4.747 4.170 0.348 0.000 0.295 75 I C -0.045 176.056 176.117 -0.026 0.000 1.049 75 I CA -1.280 60.038 61.300 0.031 0.000 1.063 75 I CB 2.462 40.538 38.000 0.127 0.000 1.248 75 I HN 0.372 nan 8.210 nan 0.000 0.424 76 V N 4.048 123.900 119.914 -0.105 0.000 2.547 76 V HA 0.590 4.919 4.120 0.348 0.000 0.299 76 V C -0.376 175.517 176.094 -0.336 0.000 1.040 76 V CA -0.756 61.439 62.300 -0.176 0.000 0.913 76 V CB 1.607 33.339 31.823 -0.152 0.000 0.992 76 V HN 0.520 nan 8.190 nan 0.000 0.449 77 L N 3.478 124.526 121.223 -0.291 0.000 2.334 77 L HA 0.456 5.005 4.340 0.348 0.000 0.277 77 L C 0.506 177.217 176.870 -0.266 0.000 1.075 77 L CA -0.375 54.262 54.840 -0.339 0.000 0.804 77 L CB 1.332 43.235 42.059 -0.260 0.000 1.174 77 L HN 0.646 nan 8.230 nan 0.000 0.438 78 F N 0.651 120.585 119.950 -0.027 0.000 2.743 78 F HA 0.195 4.930 4.527 0.346 0.000 0.297 78 F C 1.379 177.172 175.800 -0.011 0.000 1.131 78 F CA -0.164 57.839 58.000 0.004 0.000 1.426 78 F CB -0.041 38.972 39.000 0.022 0.000 1.116 78 F HN 0.475 nan 8.300 nan 0.000 0.583 79 G N -0.922 107.935 108.800 0.095 0.000 3.140 79 G HA2 0.435 4.603 3.960 0.348 0.000 0.271 79 G HA3 0.435 4.603 3.960 0.348 0.000 0.271 79 G C -0.628 174.263 174.900 -0.014 0.000 1.370 79 G CA -0.428 44.699 45.100 0.044 0.000 1.014 79 G HN 0.071 nan 8.290 nan 0.000 0.541 80 S N -0.594 115.098 115.700 -0.014 0.000 2.569 80 S HA 0.117 4.796 4.470 0.348 0.000 0.274 80 S C 0.430 174.992 174.600 -0.063 0.000 1.353 80 S CA 0.740 58.923 58.200 -0.029 0.000 1.023 80 S CB 1.078 64.269 63.200 -0.016 0.000 0.876 80 S HN 0.702 nan 8.310 nan 0.000 0.540 81 D N 0.153 120.516 120.400 -0.062 0.000 2.398 81 D HA -0.025 4.823 4.640 0.348 0.000 0.210 81 D C 1.452 177.719 176.300 -0.055 0.000 1.094 81 D CA -0.225 53.725 54.000 -0.084 0.000 0.839 81 D CB -0.310 40.441 40.800 -0.082 0.000 0.963 81 D HN 0.809 nan 8.370 nan 0.000 0.506 82 R N 0.670 121.149 120.500 -0.036 0.000 2.357 82 R HA 0.079 4.627 4.340 0.348 0.000 0.202 82 R C 1.393 177.684 176.300 -0.015 0.000 1.047 82 R CA 0.400 56.488 56.100 -0.020 0.000 1.034 82 R CB -0.415 29.878 30.300 -0.012 0.000 0.875 82 R HN 0.202 nan 8.270 nan 0.000 0.473 83 L N 0.474 121.682 121.223 -0.027 0.000 2.425 83 L HA 0.197 4.746 4.340 0.348 0.000 0.215 83 L C 0.511 177.379 176.870 -0.002 0.000 1.065 83 L CA -0.192 54.640 54.840 -0.013 0.000 0.842 83 L CB 0.391 42.439 42.059 -0.018 0.000 1.033 83 L HN -0.074 nan 8.230 nan 0.000 0.474 84 V N 1.943 121.840 119.914 -0.029 0.000 2.686 84 V HA 0.130 4.458 4.120 0.348 0.000 0.295 84 V C 0.004 176.123 176.094 0.041 0.000 1.055 84 V CA -0.166 62.145 62.300 0.018 0.000 1.050 84 V CB 0.932 32.723 31.823 -0.054 0.000 0.984 84 V HN 0.333 nan 8.190 nan 0.000 0.482 85 K N 2.635 123.081 120.400 0.077 0.000 2.512 85 K HA 0.589 5.117 4.320 0.348 0.000 0.263 85 K C -0.610 176.032 176.600 0.071 0.000 0.966 85 K CA -0.928 55.394 56.287 0.057 0.000 0.851 85 K CB 2.128 34.654 32.500 0.043 0.000 1.395 85 K HN 0.535 nan 8.250 nan 0.000 0.440 86 E N 0.232 120.463 120.200 0.052 0.000 2.452 86 E HA 0.071 4.629 4.350 0.348 0.000 0.261 86 E C 0.490 177.120 176.600 0.049 0.000 0.987 86 E CA 1.492 57.922 56.400 0.050 0.000 0.926 86 E CB 0.018 29.737 29.700 0.032 0.000 0.934 86 E HN 0.847 nan 8.360 nan 0.000 0.452 87 G N 3.372 112.204 108.800 0.054 0.000 2.159 87 G HA2 -0.330 3.839 3.960 0.348 0.000 0.256 87 G HA3 -0.330 3.839 3.960 0.348 0.000 0.256 87 G C 0.159 175.087 174.900 0.047 0.000 0.977 87 G CA 0.455 45.584 45.100 0.047 0.000 0.652 87 G HN 0.656 nan 8.290 nan 0.000 0.531 88 E N -0.308 119.928 120.200 0.060 0.000 2.374 88 E HA 0.506 5.064 4.350 0.348 0.000 0.260 88 E C 0.478 177.086 176.600 0.013 0.000 1.101 88 E CA -0.901 55.535 56.400 0.059 0.000 0.907 88 E CB 0.495 30.267 29.700 0.120 0.000 1.014 88 E HN 0.291 nan 8.360 nan 0.000 0.427 89 L N 3.560 124.781 121.223 -0.003 0.000 2.417 89 L HA 0.282 4.830 4.340 0.348 0.000 0.268 89 L C -1.149 175.631 176.870 -0.150 0.000 1.158 89 L CA -0.058 54.750 54.840 -0.053 0.000 0.819 89 L CB 1.355 43.396 42.059 -0.029 0.000 1.112 89 L HN 0.303 nan 8.230 nan 0.000 0.458 90 V N 4.458 124.241 119.914 -0.218 0.000 2.709 90 V HA 0.547 4.876 4.120 0.348 0.000 0.308 90 V C -0.449 175.510 176.094 -0.226 0.000 1.062 90 V CA -0.946 61.129 62.300 -0.376 0.000 0.901 90 V CB 1.687 33.156 31.823 -0.590 0.000 1.003 90 V HN 0.829 nan 8.190 nan 0.000 0.425 91 K N 3.406 123.697 120.400 -0.183 0.000 2.340 91 K HA 0.777 5.306 4.320 0.348 0.000 0.244 91 K C -0.490 176.066 176.600 -0.074 0.000 0.973 91 K CA -0.916 55.313 56.287 -0.097 0.000 0.828 91 K CB 2.467 34.938 32.500 -0.047 0.000 1.226 91 K HN 0.871 nan 8.250 nan 0.000 0.437 92 R N 0.482 120.954 120.500 -0.047 0.000 2.720 92 R HA 0.402 4.951 4.340 0.348 0.000 0.272 92 R C -0.174 176.129 176.300 0.004 0.000 0.991 92 R CA -0.661 55.427 56.100 -0.021 0.000 1.010 92 R CB 1.370 31.653 30.300 -0.028 0.000 1.141 92 R HN 0.490 nan 8.270 nan 0.000 0.494 93 T N 0.027 114.595 114.554 0.024 0.000 3.044 93 T HA 0.171 4.729 4.350 0.348 0.000 0.255 93 T C 1.290 176.003 174.700 0.022 0.000 1.073 93 T CA 0.648 62.767 62.100 0.032 0.000 1.125 93 T CB -0.026 68.875 68.868 0.054 0.000 0.908 93 T HN 0.943 nan 8.240 nan 0.000 0.480 94 G N 2.062 110.873 108.800 0.018 0.000 2.179 94 G HA2 -0.227 3.941 3.960 0.348 0.000 0.260 94 G HA3 -0.227 3.941 3.960 0.348 0.000 0.260 94 G C -0.023 174.888 174.900 0.018 0.000 0.977 94 G CA -0.088 45.020 45.100 0.013 0.000 0.641 94 G HN 0.505 nan 8.290 nan 0.000 0.533 95 N N 0.004 118.720 118.700 0.027 0.000 2.229 95 N HA 0.526 5.475 4.740 0.348 0.000 0.298 95 N C -0.100 175.434 175.510 0.039 0.000 1.114 95 N CA -0.747 52.320 53.050 0.028 0.000 0.776 95 N CB 1.466 39.967 38.487 0.025 0.000 1.501 95 N HN -0.018 nan 8.380 nan 0.000 0.474 96 I N 1.435 122.026 120.570 0.034 0.000 2.588 96 I HA 0.034 4.412 4.170 0.348 0.000 0.283 96 I C 0.798 176.942 176.117 0.045 0.000 1.119 96 I CA -0.345 60.980 61.300 0.041 0.000 1.419 96 I CB 0.219 38.236 38.000 0.029 0.000 1.394 96 I HN 0.181 nan 8.210 nan 0.000 0.562 97 V N 7.214 127.168 119.914 0.066 0.000 2.479 97 V HA -0.072 4.256 4.120 0.348 0.000 0.284 97 V C 0.548 176.660 176.094 0.030 0.000 0.981 97 V CA 0.236 62.575 62.300 0.065 0.000 1.139 97 V CB -0.920 30.971 31.823 0.113 0.000 0.947 97 V HN 0.824 nan 8.190 nan 0.000 0.468 98 D N 4.838 125.247 120.400 0.015 0.000 2.414 98 D HA 0.706 5.554 4.640 0.348 0.000 0.241 98 D C -0.523 175.770 176.300 -0.011 0.000 1.008 98 D CA -0.557 53.446 54.000 0.005 0.000 1.001 98 D CB 2.531 43.335 40.800 0.008 0.000 1.277 98 D HN 0.403 nan 8.370 nan 0.000 0.538 99 V N -4.401 115.506 119.914 -0.013 0.000 2.925 99 V HA 0.603 4.931 4.120 0.348 0.000 0.311 99 V C -2.937 173.134 176.094 -0.038 0.000 1.104 99 V CA -2.175 60.108 62.300 -0.028 0.000 0.954 99 V CB 1.832 33.641 31.823 -0.024 0.000 1.022 99 V HN 0.513 nan 8.190 nan 0.000 0.427 100 P HA 0.311 nan 4.420 nan 0.000 0.268 100 P C -0.465 176.760 177.300 -0.125 0.000 1.205 100 P CA 0.249 63.299 63.100 -0.084 0.000 0.771 100 P CB 1.385 33.034 31.700 -0.085 0.000 0.858 101 V N -1.160 118.641 119.914 -0.188 0.000 3.078 101 V HA 1.008 5.336 4.120 0.348 0.000 0.311 101 V C -0.114 175.596 176.094 -0.640 0.000 1.138 101 V CA -0.269 61.834 62.300 -0.329 0.000 1.007 101 V CB 1.472 33.167 31.823 -0.213 0.000 1.045 101 V HN 1.019 nan 8.190 nan 0.000 0.432 102 G N 1.943 110.081 108.800 -1.102 0.000 2.353 102 G HA2 0.250 4.419 3.960 0.348 0.000 0.424 102 G HA3 0.250 4.419 3.960 0.348 0.000 0.424 102 G C -2.840 171.402 174.900 -1.098 0.000 1.320 102 G CA 0.047 44.163 45.100 -1.641 0.000 0.995 102 G HN 0.634 nan 8.290 nan 0.000 0.580 103 P HA 0.030 nan 4.420 nan 0.000 0.218 103 P C 2.147 179.311 177.300 -0.227 0.000 1.149 103 P CA 1.950 64.821 63.100 -0.382 0.000 0.817 103 P CB -0.096 31.482 31.700 -0.204 0.000 0.785 104 G N 0.387 109.040 108.800 -0.245 0.000 2.547 104 G HA2 -0.292 3.876 3.960 0.348 0.000 0.221 104 G HA3 -0.292 3.876 3.960 0.348 0.000 0.221 104 G C 1.282 176.113 174.900 -0.116 0.000 1.140 104 G CA 0.947 45.956 45.100 -0.152 0.000 0.760 104 G HN 0.197 nan 8.290 nan 0.000 0.583 105 L N 0.552 121.692 121.223 -0.138 0.000 2.191 105 L HA 0.113 4.661 4.340 0.348 0.000 0.212 105 L C 1.488 178.339 176.870 -0.032 0.000 1.103 105 L CA 0.305 55.096 54.840 -0.081 0.000 0.769 105 L CB -0.711 41.297 42.059 -0.085 0.000 0.908 105 L HN 0.159 nan 8.230 nan 0.000 0.438 106 L N 0.691 121.901 121.223 -0.021 0.000 2.706 106 L HA -0.022 4.527 4.340 0.348 0.000 0.282 106 L C 1.498 178.369 176.870 0.000 0.000 1.219 106 L CA 0.842 55.690 54.840 0.013 0.000 0.935 106 L CB -0.782 41.279 42.059 0.002 0.000 1.204 106 L HN 0.524 nan 8.230 nan 0.000 0.491 107 G N 2.096 110.900 108.800 0.007 0.000 2.176 107 G HA2 -0.215 3.954 3.960 0.348 0.000 0.253 107 G HA3 -0.215 3.954 3.960 0.348 0.000 0.253 107 G C 0.345 175.235 174.900 -0.016 0.000 0.979 107 G CA -0.379 44.713 45.100 -0.013 0.000 0.641 107 G HN 0.484 nan 8.290 nan 0.000 0.530 108 R N -0.387 120.106 120.500 -0.012 0.000 2.643 108 R HA 0.705 5.254 4.340 0.348 0.000 0.272 108 R C -0.337 175.960 176.300 -0.006 0.000 0.995 108 R CA -0.736 55.355 56.100 -0.016 0.000 1.032 108 R CB 1.655 31.940 30.300 -0.025 0.000 1.126 108 R HN 0.237 nan 8.270 nan 0.000 0.505 109 V N 2.756 122.665 119.914 -0.008 0.000 2.326 109 V HA 0.278 4.606 4.120 0.348 0.000 0.281 109 V C 0.259 176.351 176.094 -0.003 0.000 1.015 109 V CA -0.721 61.579 62.300 0.000 0.000 0.823 109 V CB 1.290 33.111 31.823 -0.004 0.000 1.009 109 V HN 0.577 nan 8.190 nan 0.000 0.436 110 V N 1.675 121.590 119.914 0.001 0.000 3.193 110 V HA 0.791 5.119 4.120 0.348 0.000 0.320 110 V C -0.256 175.837 176.094 -0.002 0.000 1.112 110 V CA -0.756 61.539 62.300 -0.008 0.000 1.026 110 V CB 2.111 33.923 31.823 -0.019 0.000 1.128 110 V HN 0.777 nan 8.190 nan 0.000 0.452 111 D N 0.350 120.742 120.400 -0.015 0.000 2.494 111 D HA 0.523 5.372 4.640 0.348 0.000 0.259 111 D C 1.185 177.467 176.300 -0.031 0.000 1.109 111 D CA 0.040 54.030 54.000 -0.016 0.000 1.040 111 D CB 1.834 42.619 40.800 -0.025 0.000 1.175 111 D HN 0.817 nan 8.370 nan 0.000 0.584 112 A N 0.355 123.153 122.820 -0.037 0.000 1.893 112 A HA -0.263 4.266 4.320 0.348 0.000 0.222 112 A C 2.406 179.941 177.584 -0.081 0.000 1.309 112 A CA 2.532 54.537 52.037 -0.053 0.000 0.681 112 A CB -1.436 17.520 19.000 -0.075 0.000 0.842 112 A HN 0.627 nan 8.150 nan 0.000 0.468 113 L N -1.812 119.331 121.223 -0.134 0.000 2.265 113 L HA 0.070 4.619 4.340 0.348 0.000 0.215 113 L C 1.867 178.689 176.870 -0.080 0.000 1.117 113 L CA 0.753 55.511 54.840 -0.137 0.000 0.782 113 L CB -0.586 41.364 42.059 -0.182 0.000 0.914 113 L HN 0.803 nan 8.230 nan 0.000 0.441 114 G N -0.847 107.916 108.800 -0.062 0.000 2.163 114 G HA2 -0.210 3.959 3.960 0.348 0.000 0.213 114 G HA3 -0.210 3.959 3.960 0.348 0.000 0.213 114 G C -0.038 174.834 174.900 -0.047 0.000 0.991 114 G CA -0.469 44.602 45.100 -0.048 0.000 0.653 114 G HN 0.311 nan 8.290 nan 0.000 0.518 115 N N 2.100 120.772 118.700 -0.046 0.000 2.530 115 N HA 0.383 5.332 4.740 0.348 0.000 0.273 115 N C -2.456 173.036 175.510 -0.030 0.000 1.173 115 N CA -0.980 52.047 53.050 -0.038 0.000 0.967 115 N CB 1.294 39.758 38.487 -0.037 0.000 1.109 115 N HN 0.192 nan 8.380 nan 0.000 0.453 116 P HA 0.089 nan 4.420 nan 0.000 0.271 116 P C 0.436 177.725 177.300 -0.017 0.000 1.216 116 P CA 0.110 63.196 63.100 -0.022 0.000 0.771 116 P CB 0.556 32.242 31.700 -0.023 0.000 0.864 117 I N -0.318 120.244 120.570 -0.013 0.000 4.225 117 I HA 0.191 4.569 4.170 0.348 0.000 0.327 117 I C 0.391 176.502 176.117 -0.009 0.000 1.422 117 I CA -0.211 61.084 61.300 -0.009 0.000 1.150 117 I CB 0.133 38.130 38.000 -0.005 0.000 1.192 117 I HN 0.067 nan 8.210 nan 0.000 0.440 118 D N 1.107 121.499 120.400 -0.012 0.000 2.366 118 D HA 0.186 5.035 4.640 0.348 0.000 0.205 118 D C 1.482 177.773 176.300 -0.015 0.000 1.022 118 D CA 0.713 54.705 54.000 -0.014 0.000 0.868 118 D CB 0.146 40.936 40.800 -0.017 0.000 0.953 118 D HN 0.366 nan 8.370 nan 0.000 0.514 119 G N 0.791 109.582 108.800 -0.015 0.000 2.401 119 G HA2 -0.267 3.901 3.960 0.348 0.000 0.283 119 G HA3 -0.267 3.901 3.960 0.348 0.000 0.283 119 G C 0.159 175.050 174.900 -0.016 0.000 1.117 119 G CA 0.081 45.173 45.100 -0.014 0.000 1.051 119 G HN 0.392 nan 8.290 nan 0.000 0.510 120 K N -0.228 120.161 120.400 -0.017 0.000 2.895 120 K HA 0.493 5.021 4.320 0.348 0.000 0.200 120 K C 0.840 177.428 176.600 -0.019 0.000 1.133 120 K CA -0.023 56.253 56.287 -0.018 0.000 1.060 120 K CB 1.080 33.568 32.500 -0.020 0.000 0.735 120 K HN 1.833 nan 8.250 nan 0.000 0.451 121 G N 2.808 111.597 108.800 -0.018 0.000 2.603 121 G HA2 -0.149 4.019 3.960 0.348 0.000 0.686 121 G HA3 -0.149 4.019 3.960 0.348 0.000 0.686 121 G C -2.968 171.918 174.900 -0.023 0.000 1.286 121 G CA -1.210 43.879 45.100 -0.019 0.000 0.871 121 G HN -0.016 nan 8.290 nan 0.000 0.568 122 P HA 0.423 nan 4.420 nan 0.000 0.272 122 P C 0.072 177.351 177.300 -0.035 0.000 1.223 122 P CA -0.418 62.666 63.100 -0.027 0.000 0.784 122 P CB 0.536 32.221 31.700 -0.025 0.000 0.923 123 I N 2.242 122.787 120.570 -0.042 0.000 2.406 123 I HA 0.018 4.397 4.170 0.348 0.000 0.293 123 I C 0.809 176.888 176.117 -0.065 0.000 1.101 123 I CA -0.169 61.097 61.300 -0.056 0.000 1.334 123 I CB -1.289 36.674 38.000 -0.061 0.000 1.421 123 I HN 0.354 nan 8.210 nan 0.000 0.513 124 D N 6.459 126.817 120.400 -0.070 0.000 2.470 124 D HA 0.380 5.229 4.640 0.348 0.000 0.226 124 D C 0.094 176.327 176.300 -0.113 0.000 1.196 124 D CA -0.077 53.877 54.000 -0.076 0.000 0.979 124 D CB 0.408 41.170 40.800 -0.064 0.000 1.059 124 D HN 0.622 nan 8.370 nan 0.000 0.515 125 A N 2.564 125.314 122.820 -0.118 0.000 2.279 125 A HA 0.665 5.193 4.320 0.348 0.000 0.303 125 A C 0.974 178.467 177.584 -0.151 0.000 1.108 125 A CA -0.064 51.872 52.037 -0.169 0.000 0.830 125 A CB 1.348 20.255 19.000 -0.155 0.000 1.106 125 A HN 0.577 nan 8.150 nan 0.000 0.493 126 A N 0.895 123.590 122.820 -0.208 0.000 1.997 126 A HA 0.550 5.079 4.320 0.348 0.000 0.212 126 A C 1.074 178.633 177.584 -0.042 0.000 1.178 126 A CA 1.263 53.233 52.037 -0.112 0.000 0.698 126 A CB -0.238 18.700 19.000 -0.102 0.000 0.842 126 A HN 1.770 nan 8.150 nan 0.000 0.458 127 G N -1.030 107.730 108.800 -0.068 0.000 2.708 127 G HA2 0.588 4.756 3.960 0.348 0.000 0.289 127 G HA3 0.588 4.756 3.960 0.348 0.000 0.289 127 G C -1.331 173.550 174.900 -0.032 0.000 1.416 127 G CA -0.880 44.219 45.100 -0.003 0.000 0.829 127 G HN 0.182 nan 8.290 nan 0.000 0.480 128 R N 0.036 120.534 120.500 -0.002 0.000 2.502 128 R HA 0.638 5.186 4.340 0.348 0.000 0.300 128 R C -0.904 175.405 176.300 0.014 0.000 0.984 128 R CA -0.591 55.504 56.100 -0.009 0.000 0.882 128 R CB 2.091 32.384 30.300 -0.013 0.000 1.180 128 R HN 0.493 nan 8.270 nan 0.000 0.444 129 S N 1.943 117.654 115.700 0.017 0.000 2.568 129 S HA 0.485 5.164 4.470 0.348 0.000 0.302 129 S C -0.065 174.548 174.600 0.022 0.000 1.082 129 S CA -0.821 57.397 58.200 0.031 0.000 1.009 129 S CB 1.115 64.347 63.200 0.054 0.000 1.069 129 S HN 0.477 nan 8.310 nan 0.000 0.500 130 R N 1.036 121.549 120.500 0.022 0.000 2.801 130 R HA 0.353 4.902 4.340 0.348 0.000 0.273 130 R C 1.464 177.774 176.300 0.017 0.000 1.080 130 R CA 0.333 56.442 56.100 0.015 0.000 1.197 130 R CB 0.080 30.385 30.300 0.009 0.000 1.109 130 R HN 0.768 nan 8.270 nan 0.000 0.535 131 A N 1.218 124.041 122.820 0.006 0.000 1.854 131 A HA -0.072 4.456 4.320 0.348 0.000 0.214 131 A C 0.453 178.018 177.584 -0.032 0.000 1.192 131 A CA 1.035 53.078 52.037 0.009 0.000 0.611 131 A CB 0.062 19.058 19.000 -0.006 0.000 0.832 131 A HN 0.507 nan 8.150 nan 0.000 0.442 132 Q N 0.634 120.373 119.800 -0.101 0.000 2.349 132 Q HA 0.478 5.027 4.340 0.348 0.000 0.254 132 Q C -1.239 174.726 176.000 -0.058 0.000 0.980 132 Q CA 0.015 55.722 55.803 -0.159 0.000 0.924 132 Q CB 1.324 29.937 28.738 -0.209 0.000 1.209 132 Q HN 0.211 nan 8.270 nan 0.000 0.445 133 V N 2.447 122.346 119.914 -0.024 0.000 2.680 133 V HA 0.328 4.657 4.120 0.348 0.000 0.309 133 V C 0.227 176.328 176.094 0.013 0.000 1.052 133 V CA -1.098 61.207 62.300 0.007 0.000 0.908 133 V CB 2.220 34.062 31.823 0.032 0.000 1.001 133 V HN 0.616 nan 8.190 nan 0.000 0.431 134 K N 3.049 123.460 120.400 0.020 0.000 2.448 134 K HA 0.441 4.969 4.320 0.348 0.000 0.278 134 K C 0.340 176.962 176.600 0.036 0.000 1.009 134 K CA -0.030 56.276 56.287 0.030 0.000 0.995 134 K CB 0.749 33.268 32.500 0.031 0.000 0.917 134 K HN 0.923 nan 8.250 nan 0.000 0.481 135 A N 5.504 128.349 122.820 0.042 0.000 2.466 135 A HA 0.227 4.755 4.320 0.348 0.000 0.238 135 A C -2.115 175.493 177.584 0.040 0.000 1.074 135 A CA -1.091 50.973 52.037 0.045 0.000 0.774 135 A CB -0.471 18.560 19.000 0.051 0.000 1.015 135 A HN 0.671 nan 8.150 nan 0.000 0.498 136 P HA 0.223 nan 4.420 nan 0.000 0.268 136 P C 0.638 177.956 177.300 0.030 0.000 1.208 136 P CA 0.450 63.569 63.100 0.031 0.000 0.777 136 P CB 0.355 32.074 31.700 0.032 0.000 0.875 137 G N 0.985 109.800 108.800 0.024 0.000 2.667 137 G HA2 0.093 4.261 3.960 0.348 0.000 0.250 137 G HA3 0.093 4.261 3.960 0.348 0.000 0.250 137 G C 1.061 175.975 174.900 0.022 0.000 1.212 137 G CA -0.552 44.562 45.100 0.022 0.000 0.874 137 G HN 0.462 nan 8.290 nan 0.000 0.561 138 I N 0.097 120.680 120.570 0.022 0.000 2.353 138 I HA -0.093 4.285 4.170 0.348 0.000 0.248 138 I C 2.518 178.644 176.117 0.015 0.000 1.119 138 I CA 0.408 61.720 61.300 0.020 0.000 1.417 138 I CB -0.149 37.863 38.000 0.020 0.000 1.078 138 I HN 0.351 nan 8.210 nan 0.000 0.421 139 L N 2.546 123.776 121.223 0.012 0.000 2.005 139 L HA -0.009 4.540 4.340 0.348 0.000 0.207 139 L C -0.923 175.951 176.870 0.007 0.000 1.072 139 L CA 1.922 56.767 54.840 0.008 0.000 0.744 139 L CB -1.582 40.481 42.059 0.006 0.000 0.895 139 L HN 0.088 nan 8.230 nan 0.000 0.433 140 P HA 0.076 nan 4.420 nan 0.000 0.232 140 P C -0.761 176.546 177.300 0.013 0.000 1.738 140 P CA 0.255 63.359 63.100 0.007 0.000 0.948 140 P CB -0.142 31.562 31.700 0.006 0.000 1.943 141 R N 1.154 121.662 120.500 0.013 0.000 2.867 141 R HA 0.663 5.212 4.340 0.348 0.000 0.268 141 R C -0.180 176.129 176.300 0.015 0.000 1.014 141 R CA -1.035 55.077 56.100 0.019 0.000 0.946 141 R CB 2.276 32.588 30.300 0.020 0.000 1.208 141 R HN 0.125 nan 8.270 nan 0.000 0.477 142 R N -0.525 119.990 120.500 0.024 0.000 2.673 142 R HA 0.296 4.844 4.340 0.348 0.000 0.281 142 R C -0.946 175.373 176.300 0.032 0.000 0.991 142 R CA -0.305 55.805 56.100 0.017 0.000 0.896 142 R CB 1.779 32.095 30.300 0.026 0.000 1.201 142 R HN 0.623 nan 8.270 nan 0.000 0.457 143 S N 2.464 118.171 115.700 0.012 0.000 2.549 143 S HA 0.169 4.848 4.470 0.348 0.000 0.283 143 S C -0.192 174.465 174.600 0.095 0.000 1.320 143 S CA -0.511 57.707 58.200 0.030 0.000 1.058 143 S CB 0.313 63.515 63.200 0.004 0.000 0.882 143 S HN 0.400 nan 8.310 nan 0.000 0.498 144 V N 7.351 127.318 119.914 0.089 0.000 2.493 144 V HA 0.133 4.461 4.120 0.348 0.000 0.292 144 V C 1.234 177.413 176.094 0.140 0.000 1.016 144 V CA 0.489 62.850 62.300 0.101 0.000 1.097 144 V CB -0.017 31.820 31.823 0.023 0.000 0.947 144 V HN 1.050 nan 8.190 nan 0.000 0.479 145 H N 1.821 120.857 119.070 -0.056 0.000 3.771 145 H HA 0.312 5.075 4.556 0.346 0.000 0.260 145 H C 0.219 175.494 175.328 -0.089 0.000 1.158 145 H CA -0.446 55.566 56.048 -0.060 0.000 1.170 145 H CB 0.524 30.257 29.762 -0.049 0.000 1.539 145 H HN 0.611 nan 8.280 nan 0.000 0.634 146 E N 5.057 124.871 120.200 -0.643 0.000 2.194 146 E HA 0.253 4.811 4.350 0.348 0.000 0.284 146 E C -2.376 174.012 176.600 -0.353 0.000 1.035 146 E CA -2.025 54.028 56.400 -0.579 0.000 0.836 146 E CB 1.766 31.051 29.700 -0.692 0.000 1.070 146 E HN 0.290 nan 8.360 nan 0.000 0.401 147 P HA 0.036 nan 4.420 nan 0.000 0.274 147 P C -0.408 176.734 177.300 -0.264 0.000 1.246 147 P CA -0.298 62.667 63.100 -0.226 0.000 0.795 147 P CB 0.891 32.474 31.700 -0.196 0.000 1.006 148 V N 2.012 121.811 119.914 -0.192 0.000 2.383 148 V HA 0.077 4.406 4.120 0.348 0.000 0.264 148 V C 0.312 176.342 176.094 -0.107 0.000 1.001 148 V CA -0.566 61.625 62.300 -0.183 0.000 0.828 148 V CB 0.554 32.291 31.823 -0.143 0.000 1.069 148 V HN 0.444 nan 8.190 nan 0.000 0.451 149 Q N 2.303 122.044 119.800 -0.100 0.000 2.388 149 Q HA -0.035 4.513 4.340 0.348 0.000 0.302 149 Q C 1.526 177.564 176.000 0.064 0.000 1.149 149 Q CA 0.773 56.601 55.803 0.043 0.000 1.014 149 Q CB 0.636 29.528 28.738 0.255 0.000 1.072 149 Q HN 0.932 nan 8.270 nan 0.000 0.395 150 T N -1.594 112.979 114.554 0.032 0.000 3.081 150 T HA 0.196 4.755 4.350 0.348 0.000 0.250 150 T C 1.332 176.049 174.700 0.029 0.000 1.100 150 T CA 0.439 62.553 62.100 0.023 0.000 1.038 150 T CB 0.239 69.109 68.868 0.003 0.000 0.962 150 T HN 0.740 nan 8.240 nan 0.000 0.516 151 G N 1.526 110.351 108.800 0.042 0.000 2.220 151 G HA2 -0.250 3.918 3.960 0.348 0.000 0.269 151 G HA3 -0.250 3.918 3.960 0.348 0.000 0.269 151 G C 0.021 174.927 174.900 0.011 0.000 0.977 151 G CA 0.474 45.590 45.100 0.027 0.000 0.634 151 G HN 0.643 nan 8.290 nan 0.000 0.539 152 L N 0.514 121.742 121.223 0.007 0.000 2.260 152 L HA 0.367 4.916 4.340 0.348 0.000 0.289 152 L C 1.699 178.573 176.870 0.006 0.000 1.057 152 L CA -0.709 54.131 54.840 -0.000 0.000 0.811 152 L CB 1.165 43.220 42.059 -0.007 0.000 1.184 152 L HN 0.056 nan 8.230 nan 0.000 0.429 153 K N 2.561 122.966 120.400 0.008 0.000 2.032 153 K HA -0.192 4.336 4.320 0.348 0.000 0.209 153 K C 2.060 178.666 176.600 0.010 0.000 1.048 153 K CA 1.601 57.895 56.287 0.012 0.000 0.927 153 K CB -0.126 32.383 32.500 0.015 0.000 0.712 153 K HN 0.799 nan 8.250 nan 0.000 0.441 154 A N 0.982 123.805 122.820 0.004 0.000 1.986 154 A HA -0.160 4.368 4.320 0.348 0.000 0.220 154 A C 2.311 179.901 177.584 0.010 0.000 1.171 154 A CA 1.702 53.742 52.037 0.006 0.000 0.640 154 A CB -0.520 18.481 19.000 0.002 0.000 0.811 154 A HN 0.106 nan 8.150 nan 0.000 0.451 155 V N -0.261 119.658 119.914 0.008 0.000 2.403 155 V HA -0.094 4.234 4.120 0.348 0.000 0.239 155 V C 1.864 177.962 176.094 0.006 0.000 1.041 155 V CA 1.620 63.924 62.300 0.007 0.000 1.051 155 V CB -0.613 31.212 31.823 0.003 0.000 0.704 155 V HN 0.460 nan 8.190 nan 0.000 0.472 156 D N 0.502 120.906 120.400 0.006 0.000 2.309 156 D HA -0.058 4.790 4.640 0.348 0.000 0.212 156 D C 1.879 178.183 176.300 0.007 0.000 0.968 156 D CA 1.395 55.398 54.000 0.005 0.000 0.882 156 D CB 0.212 41.019 40.800 0.011 0.000 0.918 156 D HN 0.464 nan 8.370 nan 0.000 0.503 157 A N -0.184 122.642 122.820 0.011 0.000 1.942 157 A HA 0.119 4.648 4.320 0.348 0.000 0.209 157 A C 2.184 179.778 177.584 0.015 0.000 1.214 157 A CA 0.207 52.252 52.037 0.014 0.000 0.686 157 A CB -0.093 18.917 19.000 0.017 0.000 0.871 157 A HN 0.093 nan 8.150 nan 0.000 0.460 158 L N -0.368 120.865 121.223 0.016 0.000 2.194 158 L HA 0.113 4.661 4.340 0.348 0.000 0.197 158 L C 0.624 177.503 176.870 0.016 0.000 1.106 158 L CA 0.699 55.550 54.840 0.019 0.000 0.785 158 L CB -0.252 41.821 42.059 0.023 0.000 0.960 158 L HN 0.218 nan 8.230 nan 0.000 0.465 159 V N -1.326 118.596 119.914 0.014 0.000 2.220 159 V HA 0.408 4.736 4.120 0.348 0.000 0.265 159 V C -2.509 173.585 176.094 0.001 0.000 1.078 159 V CA -2.000 60.306 62.300 0.010 0.000 0.872 159 V CB -0.295 31.538 31.823 0.016 0.000 1.121 159 V HN 0.009 nan 8.190 nan 0.000 0.460 160 P HA 0.336 nan 4.420 nan 0.000 0.271 160 P C -0.471 176.813 177.300 -0.026 0.000 1.218 160 P CA -0.041 63.049 63.100 -0.017 0.000 0.780 160 P CB 1.603 33.291 31.700 -0.020 0.000 0.901 161 I N 1.171 121.717 120.570 -0.039 0.000 2.498 161 I HA 0.531 4.909 4.170 0.348 0.000 0.301 161 I C 1.082 177.152 176.117 -0.077 0.000 0.984 161 I CA -0.382 60.888 61.300 -0.051 0.000 1.204 161 I CB 1.053 39.021 38.000 -0.052 0.000 1.362 161 I HN 0.434 nan 8.210 nan 0.000 0.471 162 G N 4.230 112.983 108.800 -0.078 0.000 2.617 162 G HA2 0.475 4.643 3.960 0.348 0.000 0.306 162 G HA3 0.475 4.643 3.960 0.348 0.000 0.306 162 G C -0.564 174.268 174.900 -0.114 0.000 1.360 162 G CA -0.856 44.181 45.100 -0.105 0.000 0.983 162 G HN 0.489 nan 8.290 nan 0.000 0.496 163 R N 0.960 121.354 120.500 -0.177 0.000 2.474 163 R HA 0.361 4.909 4.340 0.348 0.000 0.339 163 R C 1.235 177.481 176.300 -0.088 0.000 1.033 163 R CA 1.378 57.374 56.100 -0.173 0.000 0.997 163 R CB 0.187 30.292 30.300 -0.325 0.000 0.963 163 R HN 1.082 nan 8.270 nan 0.000 0.438 164 G N 1.883 110.658 108.800 -0.041 0.000 2.273 164 G HA2 -0.194 3.975 3.960 0.348 0.000 0.162 164 G HA3 -0.194 3.975 3.960 0.348 0.000 0.162 164 G C -0.115 174.788 174.900 0.004 0.000 1.006 164 G CA -0.185 44.915 45.100 -0.000 0.000 0.704 164 G HN 0.602 nan 8.290 nan 0.000 0.487 165 Q N -0.117 119.677 119.800 -0.010 0.000 2.333 165 Q HA 0.830 5.378 4.340 0.348 0.000 0.266 165 Q C -0.219 175.779 176.000 -0.002 0.000 1.053 165 Q CA -1.239 54.562 55.803 -0.003 0.000 0.890 165 Q CB 1.367 30.099 28.738 -0.010 0.000 1.337 165 Q HN 0.243 nan 8.270 nan 0.000 0.474 166 R N 1.111 121.612 120.500 0.002 0.000 2.358 166 R HA 0.386 4.934 4.340 0.348 0.000 0.309 166 R C -1.468 174.828 176.300 -0.007 0.000 1.026 166 R CA -0.661 55.441 56.100 0.003 0.000 0.909 166 R CB 0.913 31.223 30.300 0.018 0.000 1.153 166 R HN 0.769 nan 8.270 nan 0.000 0.515 167 E N 3.387 123.579 120.200 -0.013 0.000 2.089 167 E HA 0.201 4.760 4.350 0.348 0.000 0.284 167 E C -0.804 175.783 176.600 -0.021 0.000 1.023 167 E CA -0.760 55.631 56.400 -0.015 0.000 0.819 167 E CB 0.651 30.341 29.700 -0.016 0.000 1.076 167 E HN 0.576 nan 8.360 nan 0.000 0.396 168 L N 4.910 126.119 121.223 -0.024 0.000 2.467 168 L HA 0.329 4.878 4.340 0.348 0.000 0.270 168 L C -0.347 176.500 176.870 -0.039 0.000 1.205 168 L CA 0.447 55.263 54.840 -0.040 0.000 0.828 168 L CB 0.527 42.556 42.059 -0.050 0.000 1.101 168 L HN 0.701 nan 8.230 nan 0.000 0.479 169 I N 6.343 126.878 120.570 -0.058 0.000 2.750 169 I HA 0.299 4.677 4.170 0.348 0.000 0.279 169 I C -0.339 175.717 176.117 -0.101 0.000 1.206 169 I CA -0.152 61.111 61.300 -0.062 0.000 1.101 169 I CB 0.637 38.608 38.000 -0.049 0.000 1.431 169 I HN 0.498 nan 8.210 nan 0.000 0.551 170 I N 3.479 123.964 120.570 -0.142 0.000 2.499 170 I HA 0.831 5.209 4.170 0.348 0.000 0.296 170 I C 0.287 176.189 176.117 -0.357 0.000 0.992 170 I CA 0.300 61.465 61.300 -0.226 0.000 1.297 170 I CB 1.456 39.316 38.000 -0.235 0.000 1.410 170 I HN 0.564 nan 8.210 nan 0.000 0.507 171 G N 4.809 113.409 108.800 -0.332 0.000 2.328 171 G HA2 0.181 4.349 3.960 0.348 0.000 0.295 171 G HA3 0.181 4.349 3.960 0.348 0.000 0.295 171 G C -1.920 172.864 174.900 -0.194 0.000 1.413 171 G CA -0.780 44.115 45.100 -0.342 0.000 0.817 171 G HN 0.568 nan 8.290 nan 0.000 0.546 172 D N -0.280 120.037 120.400 -0.138 0.000 2.414 172 D HA 0.463 5.312 4.640 0.348 0.000 0.259 172 D C 1.221 177.483 176.300 -0.064 0.000 1.269 172 D CA -0.225 53.732 54.000 -0.073 0.000 1.028 172 D CB 0.405 41.186 40.800 -0.032 0.000 1.093 172 D HN 0.659 nan 8.370 nan 0.000 0.545 173 R N 0.244 120.719 120.500 -0.042 0.000 2.594 173 R HA 0.132 4.680 4.340 0.348 0.000 0.272 173 R C -0.520 175.739 176.300 -0.069 0.000 1.074 173 R CA -0.448 55.628 56.100 -0.041 0.000 1.105 173 R CB 0.296 30.584 30.300 -0.020 0.000 1.008 173 R HN 0.159 nan 8.270 nan 0.000 0.472 174 Q N 0.172 119.924 119.800 -0.080 0.000 2.460 174 Q HA -0.169 4.380 4.340 0.348 0.000 0.311 174 Q C 0.110 175.960 176.000 -0.252 0.000 1.396 174 Q CA 1.549 57.267 55.803 -0.142 0.000 0.838 174 Q CB -1.907 26.752 28.738 -0.131 0.000 1.140 174 Q HN 1.080 nan 8.270 nan 0.000 0.415 175 T N -5.514 108.934 114.554 -0.176 0.000 3.125 175 T HA 0.468 5.027 4.350 0.348 0.000 0.252 175 T C 1.057 175.753 174.700 -0.007 0.000 0.981 175 T CA 0.848 62.853 62.100 -0.159 0.000 1.069 175 T CB 1.079 69.901 68.868 -0.077 0.000 1.091 175 T HN 0.928 nan 8.240 nan 0.000 0.460 176 G N 1.180 109.981 108.800 0.001 0.000 2.334 176 G HA2 -0.007 4.162 3.960 0.348 0.000 0.222 176 G HA3 -0.007 4.162 3.960 0.348 0.000 0.222 176 G C 0.414 175.321 174.900 0.012 0.000 1.077 176 G CA 0.098 45.224 45.100 0.043 0.000 0.861 176 G HN 0.397 nan 8.290 nan 0.000 0.508 177 K N -0.325 120.072 120.400 -0.006 0.000 2.007 177 K HA -0.004 4.525 4.320 0.348 0.000 0.206 177 K C 2.524 179.125 176.600 0.002 0.000 1.047 177 K CA 1.730 58.008 56.287 -0.015 0.000 0.937 177 K CB -0.203 32.278 32.500 -0.032 0.000 0.718 177 K HN 0.208 nan 8.250 nan 0.000 0.438 178 T N 1.553 116.121 114.554 0.024 0.000 2.720 178 T HA -0.179 4.379 4.350 0.348 0.000 0.268 178 T C 1.990 176.717 174.700 0.044 0.000 1.037 178 T CA 1.374 63.516 62.100 0.069 0.000 1.144 178 T CB -0.349 68.581 68.868 0.104 0.000 0.864 178 T HN 0.340 nan 8.240 nan 0.000 0.444 179 A N 1.288 124.106 122.820 -0.002 0.000 1.869 179 A HA -0.152 4.376 4.320 0.348 0.000 0.218 179 A C 2.598 180.150 177.584 -0.052 0.000 1.203 179 A CA 2.084 54.083 52.037 -0.064 0.000 0.638 179 A CB -1.299 17.660 19.000 -0.068 0.000 0.831 179 A HN 0.358 nan 8.150 nan 0.000 0.450 180 V N -0.162 119.737 119.914 -0.025 0.000 2.252 180 V HA -0.315 4.013 4.120 0.348 0.000 0.249 180 V C 3.058 179.148 176.094 -0.006 0.000 1.056 180 V CA 2.346 64.634 62.300 -0.019 0.000 1.022 180 V CB -1.515 30.302 31.823 -0.011 0.000 0.641 180 V HN 0.683 nan 8.190 nan 0.000 0.445 181 A N -0.196 122.631 122.820 0.011 0.000 1.858 181 A HA -0.212 4.317 4.320 0.348 0.000 0.216 181 A C 2.191 179.815 177.584 0.066 0.000 1.190 181 A CA 2.209 54.265 52.037 0.032 0.000 0.617 181 A CB -0.693 18.330 19.000 0.038 0.000 0.827 181 A HN 0.450 nan 8.150 nan 0.000 0.443 182 L N 0.335 121.605 121.223 0.080 0.000 2.012 182 L HA -0.214 4.334 4.340 0.348 0.000 0.210 182 L C 1.739 178.634 176.870 0.043 0.000 1.073 182 L CA 2.638 57.529 54.840 0.085 0.000 0.748 182 L CB -0.769 41.322 42.059 0.053 0.000 0.891 182 L HN 0.398 nan 8.230 nan 0.000 0.431 183 D N -1.181 119.208 120.400 -0.019 0.000 2.149 183 D HA -0.171 4.677 4.640 0.348 0.000 0.198 183 D C 1.992 178.299 176.300 0.010 0.000 0.990 183 D CA 1.811 55.792 54.000 -0.032 0.000 0.839 183 D CB -0.183 40.575 40.800 -0.070 0.000 0.948 183 D HN 0.428 nan 8.370 nan 0.000 0.460 184 T N 1.645 116.212 114.554 0.022 0.000 2.635 184 T HA -0.142 4.417 4.350 0.348 0.000 0.267 184 T C 2.261 176.998 174.700 0.061 0.000 1.040 184 T CA 0.808 62.928 62.100 0.034 0.000 1.156 184 T CB -0.297 68.584 68.868 0.022 0.000 0.863 184 T HN 0.197 nan 8.240 nan 0.000 0.430 185 I N 0.859 121.484 120.570 0.092 0.000 2.208 185 I HA -0.165 4.213 4.170 0.348 0.000 0.245 185 I C 2.298 178.541 176.117 0.211 0.000 1.097 185 I CA 1.299 62.696 61.300 0.161 0.000 1.363 185 I CB -0.579 37.544 38.000 0.205 0.000 1.051 185 I HN 0.206 nan 8.210 nan 0.000 0.413 186 L N 0.447 121.751 121.223 0.136 0.000 2.131 186 L HA -0.213 4.335 4.340 0.348 0.000 0.210 186 L C 2.243 179.165 176.870 0.086 0.000 1.092 186 L CA 1.380 56.282 54.840 0.103 0.000 0.759 186 L CB -0.758 41.286 42.059 -0.026 0.000 0.903 186 L HN 0.316 nan 8.230 nan 0.000 0.435 187 N N -0.452 118.282 118.700 0.056 0.000 2.381 187 N HA -0.165 4.783 4.740 0.348 0.000 0.182 187 N C 1.825 177.355 175.510 0.035 0.000 1.025 187 N CA 0.706 53.772 53.050 0.027 0.000 0.888 187 N CB 0.128 38.647 38.487 0.053 0.000 0.965 187 N HN 0.221 nan 8.380 nan 0.000 0.438 188 Q N 0.169 120.008 119.800 0.066 0.000 2.436 188 Q HA -0.094 4.455 4.340 0.348 0.000 0.209 188 Q C 1.513 177.460 176.000 -0.088 0.000 0.965 188 Q CA 0.548 56.361 55.803 0.018 0.000 0.910 188 Q CB -0.157 28.435 28.738 -0.244 0.000 0.980 188 Q HN 0.500 nan 8.270 nan 0.000 0.491 189 K N 1.289 121.709 120.400 0.033 0.000 2.281 189 K HA -0.114 4.415 4.320 0.348 0.000 0.203 189 K C 1.714 178.262 176.600 -0.087 0.000 1.046 189 K CA 0.716 57.078 56.287 0.125 0.000 0.938 189 K CB 0.137 32.740 32.500 0.173 0.000 0.737 189 K HN 0.093 nan 8.250 nan 0.000 0.458 190 R N -0.977 119.326 120.500 -0.329 0.000 2.189 190 R HA -0.117 4.432 4.340 0.348 0.000 0.223 190 R C 1.119 176.979 176.300 -0.732 0.000 1.092 190 R CA 1.167 56.842 56.100 -0.708 0.000 0.989 190 R CB 0.039 29.525 30.300 -1.357 0.000 0.876 190 R HN 0.431 nan 8.270 nan 0.000 0.457 191 W N -1.104 120.141 121.300 -0.092 0.000 2.782 191 W HA 0.228 5.097 4.660 0.349 0.000 0.268 191 W C 1.067 177.513 176.519 -0.121 0.000 1.043 191 W CA -0.567 56.714 57.345 -0.106 0.000 1.387 191 W CB -0.218 29.159 29.460 -0.139 0.000 0.904 191 W HN 0.013 nan 8.180 nan 0.000 0.625 192 N N 1.590 120.314 118.700 0.040 0.000 2.396 192 N HA -0.108 4.841 4.740 0.348 0.000 0.180 192 N C 0.793 176.366 175.510 0.106 0.000 1.028 192 N CA 1.023 54.063 53.050 -0.016 0.000 0.893 192 N CB -0.456 37.911 38.487 -0.200 0.000 0.967 192 N HN 0.159 nan 8.380 nan 0.000 0.440 193 N N 0.181 118.940 118.700 0.099 0.000 2.461 193 N HA 0.046 4.995 4.740 0.348 0.000 0.188 193 N C 1.007 176.554 175.510 0.062 0.000 1.134 193 N CA 0.141 53.243 53.050 0.088 0.000 0.878 193 N CB 0.055 38.577 38.487 0.058 0.000 0.972 193 N HN 0.139 nan 8.380 nan 0.000 0.456 194 G N -0.504 108.336 108.800 0.066 0.000 2.535 194 G HA2 0.278 4.446 3.960 0.348 0.000 0.282 194 G HA3 0.278 4.446 3.960 0.348 0.000 0.282 194 G C 0.845 175.785 174.900 0.067 0.000 1.350 194 G CA -0.004 45.135 45.100 0.064 0.000 1.039 194 G HN 0.243 nan 8.290 nan 0.000 0.509 195 S N -1.550 114.187 115.700 0.061 0.000 2.502 195 S HA 0.060 4.738 4.470 0.348 0.000 0.228 195 S C 0.766 175.400 174.600 0.057 0.000 1.061 195 S CA 0.375 58.609 58.200 0.057 0.000 0.935 195 S CB -0.119 63.108 63.200 0.045 0.000 0.809 195 S HN 0.563 nan 8.310 nan 0.000 0.510 196 D N 1.960 122.392 120.400 0.055 0.000 2.493 196 D HA 0.033 4.882 4.640 0.348 0.000 0.240 196 D C 0.552 176.874 176.300 0.037 0.000 1.142 196 D CA 0.310 54.336 54.000 0.044 0.000 0.872 196 D CB 0.910 41.736 40.800 0.044 0.000 1.173 196 D HN 0.201 nan 8.370 nan 0.000 0.467 197 E N 1.615 121.833 120.200 0.029 0.000 2.075 197 E HA -0.103 4.455 4.350 0.348 0.000 0.190 197 E C 1.928 178.519 176.600 -0.016 0.000 0.969 197 E CA 0.617 57.029 56.400 0.019 0.000 0.815 197 E CB -0.523 29.203 29.700 0.043 0.000 0.776 197 E HN 0.610 nan 8.360 nan 0.000 0.457 198 S N 0.966 116.663 115.700 -0.006 0.000 2.528 198 S HA -0.063 4.616 4.470 0.348 0.000 0.244 198 S C 1.582 176.234 174.600 0.087 0.000 0.982 198 S CA 0.891 59.109 58.200 0.031 0.000 0.953 198 S CB -0.128 63.097 63.200 0.041 0.000 0.754 198 S HN 0.133 nan 8.310 nan 0.000 0.529 199 K N 0.560 120.947 120.400 -0.022 0.000 2.335 199 K HA 0.207 4.736 4.320 0.348 0.000 0.195 199 K C 0.588 177.054 176.600 -0.223 0.000 1.058 199 K CA 0.094 56.282 56.287 -0.164 0.000 0.988 199 K CB 0.235 32.648 32.500 -0.145 0.000 0.880 199 K HN 0.325 nan 8.250 nan 0.000 0.513 200 K N 1.076 121.393 120.400 -0.138 0.000 2.156 200 K HA 0.168 4.696 4.320 0.348 0.000 0.242 200 K C -0.446 175.940 176.600 -0.357 0.000 1.033 200 K CA -0.111 56.028 56.287 -0.248 0.000 0.878 200 K CB 0.353 32.639 32.500 -0.357 0.000 1.057 200 K HN -0.149 nan 8.250 nan 0.000 0.505 201 L N 1.690 122.599 121.223 -0.523 0.000 2.666 201 L HA 0.240 4.789 4.340 0.348 0.000 0.258 201 L C -1.815 174.756 176.870 -0.499 0.000 0.991 201 L CA -0.283 54.291 54.840 -0.443 0.000 0.916 201 L CB 0.494 42.378 42.059 -0.291 0.000 1.199 201 L HN 0.413 nan 8.230 nan 0.000 0.439 202 Y N 2.609 122.743 120.300 -0.277 0.000 2.397 202 Y HA 0.462 5.220 4.550 0.346 0.000 0.335 202 Y C 0.734 176.534 175.900 -0.168 0.000 1.213 202 Y CA -0.120 57.801 58.100 -0.298 0.000 1.391 202 Y CB 0.685 38.739 38.460 -0.676 0.000 1.293 202 Y HN 0.532 nan 8.280 nan 0.000 0.557 203 C N 2.478 121.866 119.300 0.147 0.000 2.417 203 C HA 0.683 5.352 4.460 0.348 0.000 0.324 203 C C -0.362 174.712 174.990 0.140 0.000 1.240 203 C CA -1.183 57.911 59.018 0.128 0.000 1.632 203 C CB 0.710 28.564 27.740 0.191 0.000 2.241 203 C HN 0.561 nan 8.230 nan 0.000 0.499 204 V N 3.474 123.439 119.914 0.085 0.000 2.325 204 V HA 0.216 4.544 4.120 0.348 0.000 0.280 204 V C -0.790 175.320 176.094 0.027 0.000 1.016 204 V CA -0.453 61.893 62.300 0.075 0.000 0.818 204 V CB 0.469 32.322 31.823 0.051 0.000 1.019 204 V HN 0.811 nan 8.190 nan 0.000 0.434 205 Y N 4.517 124.811 120.300 -0.010 0.000 2.335 205 Y HA 0.505 5.266 4.550 0.351 0.000 0.331 205 Y C 0.094 175.980 175.900 -0.023 0.000 1.094 205 Y CA -0.146 57.940 58.100 -0.023 0.000 1.253 205 Y CB 1.485 39.950 38.460 0.007 0.000 1.203 205 Y HN 0.378 nan 8.280 nan 0.000 0.508 206 V N 6.918 126.687 119.914 -0.241 0.000 2.266 206 V HA 0.453 4.781 4.120 0.348 0.000 0.271 206 V C -0.064 176.028 176.094 -0.004 0.000 1.032 206 V CA -0.902 61.370 62.300 -0.047 0.000 0.806 206 V CB 0.404 32.199 31.823 -0.047 0.000 1.052 206 V HN 0.952 nan 8.190 nan 0.000 0.449 207 A N 4.879 127.832 122.820 0.223 0.000 2.451 207 A HA 0.647 5.175 4.320 0.348 0.000 0.266 207 A C -0.260 177.398 177.584 0.123 0.000 1.119 207 A CA -0.039 52.144 52.037 0.243 0.000 0.786 207 A CB 0.304 19.471 19.000 0.278 0.000 1.061 207 A HN 0.672 nan 8.150 nan 0.000 0.503 208 V N 2.511 122.481 119.914 0.093 0.000 2.525 208 V HA 0.662 4.991 4.120 0.348 0.000 0.299 208 V C 1.023 177.161 176.094 0.073 0.000 1.034 208 V CA 0.345 62.689 62.300 0.074 0.000 0.863 208 V CB 0.831 32.687 31.823 0.055 0.000 0.999 208 V HN 1.882 nan 8.190 nan 0.000 0.423 209 G N 3.887 112.730 108.800 0.072 0.000 2.241 209 G HA2 -0.224 3.945 3.960 0.348 0.000 0.244 209 G HA3 -0.224 3.945 3.960 0.348 0.000 0.244 209 G C 0.259 175.196 174.900 0.061 0.000 0.998 209 G CA 0.319 45.459 45.100 0.066 0.000 0.621 209 G HN 0.640 nan 8.290 nan 0.000 0.519 210 Q N 0.968 120.810 119.800 0.070 0.000 2.417 210 Q HA 0.450 4.999 4.340 0.348 0.000 0.241 210 Q C 0.735 176.767 176.000 0.053 0.000 1.008 210 Q CA 0.274 56.117 55.803 0.066 0.000 0.901 210 Q CB 0.505 29.295 28.738 0.087 0.000 1.259 210 Q HN 0.663 nan 8.270 nan 0.000 0.489 211 K N 0.753 121.178 120.400 0.043 0.000 2.118 211 K HA 0.246 4.775 4.320 0.348 0.000 0.264 211 K C 0.339 176.957 176.600 0.029 0.000 1.000 211 K CA -0.613 55.694 56.287 0.033 0.000 0.929 211 K CB 1.079 33.596 32.500 0.027 0.000 1.021 211 K HN 0.432 nan 8.250 nan 0.000 0.463 212 R N 0.722 121.237 120.500 0.024 0.000 2.127 212 R HA -0.164 4.385 4.340 0.348 0.000 0.238 212 R C 2.264 178.570 176.300 0.010 0.000 1.134 212 R CA 1.527 57.637 56.100 0.017 0.000 0.975 212 R CB -0.491 29.818 30.300 0.015 0.000 0.865 212 R HN 0.820 nan 8.270 nan 0.000 0.447 213 S N 0.180 115.887 115.700 0.011 0.000 2.359 213 S HA -0.183 4.495 4.470 0.348 0.000 0.223 213 S C 1.816 176.419 174.600 0.005 0.000 1.039 213 S CA 2.068 60.273 58.200 0.007 0.000 1.042 213 S CB -0.211 62.995 63.200 0.010 0.000 0.915 213 S HN 0.366 nan 8.310 nan 0.000 0.439 214 T N 1.654 116.214 114.554 0.011 0.000 2.737 214 T HA -0.043 4.515 4.350 0.348 0.000 0.265 214 T C 1.890 176.585 174.700 -0.009 0.000 1.038 214 T CA 1.476 63.582 62.100 0.010 0.000 1.144 214 T CB -0.594 68.289 68.868 0.025 0.000 0.866 214 T HN 0.279 nan 8.240 nan 0.000 0.434 215 V N 1.998 121.908 119.914 -0.006 0.000 2.332 215 V HA -0.219 4.109 4.120 0.348 0.000 0.248 215 V C 2.922 178.988 176.094 -0.045 0.000 1.055 215 V CA 1.755 64.037 62.300 -0.031 0.000 1.038 215 V CB -1.307 30.516 31.823 -0.000 0.000 0.651 215 V HN 0.547 nan 8.190 nan 0.000 0.450 216 A N -0.857 121.947 122.820 -0.025 0.000 1.933 216 A HA -0.315 4.213 4.320 0.348 0.000 0.218 216 A C 2.275 179.838 177.584 -0.035 0.000 1.175 216 A CA 2.173 54.193 52.037 -0.028 0.000 0.628 216 A CB -0.508 18.481 19.000 -0.017 0.000 0.814 216 A HN 0.615 nan 8.150 nan 0.000 0.444 217 Q N -1.074 118.709 119.800 -0.028 0.000 2.172 217 Q HA -0.099 4.450 4.340 0.348 0.000 0.200 217 Q C 1.964 177.944 176.000 -0.033 0.000 0.964 217 Q CA 1.263 57.051 55.803 -0.025 0.000 0.855 217 Q CB -0.171 28.563 28.738 -0.007 0.000 0.918 217 Q HN 0.540 nan 8.270 nan 0.000 0.444 218 L N 0.538 121.728 121.223 -0.055 0.000 1.994 218 L HA -0.146 4.402 4.340 0.348 0.000 0.208 218 L C 2.343 179.157 176.870 -0.094 0.000 1.071 218 L CA 2.032 56.817 54.840 -0.092 0.000 0.745 218 L CB -0.906 41.023 42.059 -0.216 0.000 0.892 218 L HN 0.279 nan 8.230 nan 0.000 0.431 219 V N -2.153 117.701 119.914 -0.101 0.000 2.490 219 V HA -0.301 4.027 4.120 0.348 0.000 0.250 219 V C 2.355 178.412 176.094 -0.062 0.000 1.061 219 V CA 2.018 64.269 62.300 -0.080 0.000 1.064 219 V CB -1.263 30.520 31.823 -0.067 0.000 0.670 219 V HN 0.745 nan 8.190 nan 0.000 0.461 220 Q N 0.487 120.252 119.800 -0.058 0.000 2.079 220 Q HA -0.173 4.376 4.340 0.348 0.000 0.200 220 Q C 2.311 178.267 176.000 -0.074 0.000 0.974 220 Q CA 2.437 58.202 55.803 -0.063 0.000 0.840 220 Q CB -0.234 28.469 28.738 -0.059 0.000 0.898 220 Q HN 0.745 nan 8.270 nan 0.000 0.430 221 T N 1.404 115.927 114.554 -0.052 0.000 2.821 221 T HA -0.089 4.470 4.350 0.348 0.000 0.267 221 T C 1.825 176.555 174.700 0.050 0.000 1.046 221 T CA 1.002 63.083 62.100 -0.032 0.000 1.139 221 T CB -0.153 68.735 68.868 0.033 0.000 0.871 221 T HN 0.232 nan 8.240 nan 0.000 0.454 222 L N 0.782 122.027 121.223 0.035 0.000 2.012 222 L HA -0.132 4.416 4.340 0.348 0.000 0.210 222 L C 2.721 179.584 176.870 -0.013 0.000 1.073 222 L CA 1.536 56.400 54.840 0.040 0.000 0.748 222 L CB -0.639 41.409 42.059 -0.018 0.000 0.891 222 L HN 0.317 nan 8.230 nan 0.000 0.431 223 E N -0.117 120.046 120.200 -0.061 0.000 2.110 223 E HA -0.251 4.308 4.350 0.348 0.000 0.193 223 E C 2.151 178.676 176.600 -0.126 0.000 0.988 223 E CA 0.949 57.297 56.400 -0.088 0.000 0.804 223 E CB -0.118 29.532 29.700 -0.083 0.000 0.745 223 E HN 0.563 nan 8.360 nan 0.000 0.458 224 Q N -0.220 119.463 119.800 -0.195 0.000 2.439 224 Q HA -0.109 4.440 4.340 0.348 0.000 0.211 224 Q C 0.799 176.495 176.000 -0.508 0.000 0.978 224 Q CA 0.725 56.314 55.803 -0.356 0.000 0.897 224 Q CB 0.151 28.616 28.738 -0.456 0.000 0.956 224 Q HN 0.429 nan 8.270 nan 0.000 0.483 225 H N -0.772 118.257 119.070 -0.068 0.000 2.662 225 H HA 0.069 4.834 4.556 0.348 0.000 0.268 225 H C -0.450 174.843 175.328 -0.058 0.000 1.152 225 H CA -0.077 55.943 56.048 -0.047 0.000 1.072 225 H CB 0.422 30.176 29.762 -0.014 0.000 1.660 225 H HN 0.207 nan 8.280 nan 0.000 0.584 226 D N 1.283 121.671 120.400 -0.020 0.000 2.704 226 D HA -0.197 4.652 4.640 0.348 0.000 0.232 226 D C 0.637 176.843 176.300 -0.157 0.000 1.183 226 D CA 0.746 54.704 54.000 -0.070 0.000 0.647 226 D CB -0.813 39.965 40.800 -0.036 0.000 1.013 226 D HN 0.521 nan 8.370 nan 0.000 0.415 227 A N 0.314 123.010 122.820 -0.207 0.000 2.469 227 A HA 0.274 4.803 4.320 0.348 0.000 0.245 227 A C 1.626 178.897 177.584 -0.522 0.000 1.221 227 A CA 0.446 52.197 52.037 -0.477 0.000 0.946 227 A CB 0.113 19.053 19.000 -0.099 0.000 1.049 227 A HN 0.341 nan 8.150 nan 0.000 0.529 228 M N 0.895 120.318 119.600 -0.294 0.000 2.447 228 M HA 0.035 4.723 4.480 0.348 0.000 0.264 228 M C 1.856 178.043 176.300 -0.188 0.000 1.095 228 M CA 1.613 56.800 55.300 -0.187 0.000 1.125 228 M CB -0.384 32.151 32.600 -0.107 0.000 1.389 228 M HN 0.432 nan 8.290 nan 0.000 0.459 229 K N -0.251 119.997 120.400 -0.254 0.000 2.211 229 K HA -0.150 4.379 4.320 0.348 0.000 0.203 229 K C 0.519 177.113 176.600 -0.010 0.000 1.050 229 K CA 1.583 57.798 56.287 -0.119 0.000 0.945 229 K CB -0.731 31.724 32.500 -0.077 0.000 0.732 229 K HN 0.553 nan 8.250 nan 0.000 0.451 230 Y N 0.122 120.485 120.300 0.105 0.000 2.681 230 Y HA 0.456 5.214 4.550 0.347 0.000 0.267 230 Y C -0.204 175.780 175.900 0.139 0.000 1.166 230 Y CA -1.544 56.663 58.100 0.177 0.000 1.209 230 Y CB -0.124 38.481 38.460 0.243 0.000 1.161 230 Y HN 0.015 nan 8.280 nan 0.000 0.534 231 S N 1.178 116.975 115.700 0.162 0.000 2.502 231 S HA 0.763 5.441 4.470 0.348 0.000 0.304 231 S C -1.010 173.652 174.600 0.102 0.000 1.097 231 S CA -0.587 57.710 58.200 0.161 0.000 1.045 231 S CB 0.601 63.855 63.200 0.091 0.000 1.019 231 S HN 0.317 nan 8.310 nan 0.000 0.481 232 I N 4.799 125.443 120.570 0.123 0.000 2.441 232 I HA 0.519 4.898 4.170 0.348 0.000 0.295 232 I C -0.738 175.441 176.117 0.103 0.000 0.994 232 I CA -0.905 60.453 61.300 0.096 0.000 1.144 232 I CB 1.702 39.769 38.000 0.111 0.000 1.314 232 I HN 0.470 nan 8.210 nan 0.000 0.445 233 I N 6.365 126.982 120.570 0.079 0.000 2.465 233 I HA 0.432 4.810 4.170 0.348 0.000 0.291 233 I C -0.342 175.823 176.117 0.080 0.000 1.014 233 I CA -0.827 60.534 61.300 0.102 0.000 1.093 233 I CB 1.923 39.960 38.000 0.062 0.000 1.267 233 I HN 0.139 nan 8.210 nan 0.000 0.431 234 V N 4.996 124.971 119.914 0.101 0.000 2.444 234 V HA 0.685 5.014 4.120 0.348 0.000 0.294 234 V C 0.280 176.423 176.094 0.081 0.000 1.022 234 V CA -0.698 61.643 62.300 0.069 0.000 0.850 234 V CB 1.638 33.493 31.823 0.053 0.000 0.992 234 V HN 0.868 nan 8.190 nan 0.000 0.426 235 A N 3.969 126.823 122.820 0.057 0.000 2.292 235 A HA 0.868 5.396 4.320 0.348 0.000 0.319 235 A C 0.309 177.923 177.584 0.050 0.000 1.206 235 A CA -0.075 51.998 52.037 0.060 0.000 0.835 235 A CB 1.190 20.216 19.000 0.043 0.000 1.164 235 A HN 1.466 nan 8.150 nan 0.000 0.505 236 A N 2.949 125.806 122.820 0.062 0.000 3.410 236 A HA 0.541 5.069 4.320 0.348 0.000 0.276 236 A C 0.514 178.136 177.584 0.064 0.000 0.995 236 A CA 0.171 52.244 52.037 0.059 0.000 0.934 236 A CB -0.781 18.256 19.000 0.062 0.000 1.191 236 A HN 1.336 nan 8.150 nan 0.000 0.511 237 T N -2.017 112.571 114.554 0.056 0.000 2.791 237 T HA 0.374 4.933 4.350 0.348 0.000 0.323 237 T C 1.559 176.291 174.700 0.054 0.000 1.082 237 T CA 0.182 62.314 62.100 0.054 0.000 1.084 237 T CB 0.875 69.769 68.868 0.043 0.000 0.992 237 T HN 1.090 nan 8.240 nan 0.000 0.547 238 A N 1.456 124.306 122.820 0.050 0.000 1.902 238 A HA -0.069 4.460 4.320 0.348 0.000 0.217 238 A C 2.702 180.312 177.584 0.044 0.000 1.181 238 A CA 2.124 54.190 52.037 0.048 0.000 0.623 238 A CB -1.539 17.487 19.000 0.042 0.000 0.818 238 A HN 1.233 nan 8.150 nan 0.000 0.443 239 S N 0.198 115.921 115.700 0.038 0.000 2.383 239 S HA -0.160 4.518 4.470 0.348 0.000 0.229 239 S C 0.841 175.465 174.600 0.040 0.000 1.030 239 S CA 0.954 59.175 58.200 0.034 0.000 1.002 239 S CB -0.567 62.649 63.200 0.028 0.000 0.829 239 S HN 0.669 nan 8.310 nan 0.000 0.467 240 E N 1.356 121.585 120.200 0.048 0.000 2.447 240 E HA 0.415 4.974 4.350 0.348 0.000 0.259 240 E C 0.328 176.972 176.600 0.074 0.000 1.196 240 E CA -0.018 56.419 56.400 0.061 0.000 0.995 240 E CB 0.209 29.949 29.700 0.066 0.000 0.974 240 E HN 0.554 nan 8.360 nan 0.000 0.465 241 A N 0.761 123.639 122.820 0.097 0.000 2.407 241 A HA 0.326 4.855 4.320 0.348 0.000 0.248 241 A C 1.134 178.797 177.584 0.130 0.000 1.082 241 A CA 0.461 52.560 52.037 0.103 0.000 0.785 241 A CB 0.569 19.642 19.000 0.122 0.000 1.020 241 A HN 0.724 nan 8.150 nan 0.000 0.489 242 A N 2.588 125.469 122.820 0.101 0.000 1.917 242 A HA -0.078 4.451 4.320 0.348 0.000 0.219 242 A C -0.305 177.402 177.584 0.206 0.000 1.182 242 A CA 2.191 54.299 52.037 0.118 0.000 0.633 242 A CB -1.673 17.363 19.000 0.061 0.000 0.819 242 A HN 0.626 nan 8.150 nan 0.000 0.448 243 P HA -0.089 nan 4.420 nan 0.000 0.222 243 P C 1.354 178.933 177.300 0.465 0.000 1.147 243 P CA 0.713 64.044 63.100 0.385 0.000 0.790 243 P CB -0.087 31.783 31.700 0.283 0.000 0.780 244 L N -0.910 120.524 121.223 0.352 0.000 2.023 244 L HA -0.168 4.380 4.340 0.348 0.000 0.205 244 L C 2.567 179.536 176.870 0.166 0.000 1.073 244 L CA 1.511 56.479 54.840 0.215 0.000 0.745 244 L CB -1.061 41.085 42.059 0.144 0.000 0.900 244 L HN -0.038 nan 8.230 nan 0.000 0.435 245 Q N -0.955 118.949 119.800 0.173 0.000 2.181 245 Q HA -0.271 4.277 4.340 0.348 0.000 0.205 245 Q C 2.044 178.150 176.000 0.177 0.000 0.980 245 Q CA 1.958 57.849 55.803 0.146 0.000 0.862 245 Q CB -0.304 28.518 28.738 0.140 0.000 0.905 245 Q HN 0.510 nan 8.270 nan 0.000 0.429 246 Y N 0.515 120.901 120.300 0.142 0.000 2.263 246 Y HA -0.121 4.635 4.550 0.343 0.000 0.292 246 Y C 1.758 177.776 175.900 0.197 0.000 1.130 246 Y CA 0.798 59.002 58.100 0.172 0.000 1.179 246 Y CB -0.022 38.595 38.460 0.262 0.000 0.998 246 Y HN 0.065 nan 8.280 nan 0.000 0.532 247 L N 0.464 121.673 121.223 -0.023 0.000 2.375 247 L HA 0.255 4.803 4.340 0.348 0.000 0.215 247 L C 2.382 179.237 176.870 -0.025 0.000 1.108 247 L CA 1.376 56.174 54.840 -0.070 0.000 0.830 247 L CB -1.139 40.969 42.059 0.081 0.000 0.959 247 L HN 0.276 nan 8.230 nan 0.000 0.457 248 A N 0.788 123.596 122.820 -0.021 0.000 1.884 248 A HA -0.176 4.352 4.320 0.348 0.000 0.219 248 A C -0.069 177.496 177.584 -0.032 0.000 1.197 248 A CA 2.279 54.310 52.037 -0.011 0.000 0.637 248 A CB -2.024 16.985 19.000 0.016 0.000 0.827 248 A HN 0.402 nan 8.150 nan 0.000 0.450 249 P HA -0.094 nan 4.420 nan 0.000 0.216 249 P C 1.071 178.285 177.300 -0.143 0.000 1.153 249 P CA 1.016 64.025 63.100 -0.152 0.000 0.848 249 P CB -0.192 31.192 31.700 -0.527 0.000 0.787 250 F N 0.202 120.093 119.950 -0.099 0.000 2.102 250 F HA -0.188 4.542 4.527 0.339 0.000 0.298 250 F C 2.543 178.323 175.800 -0.033 0.000 1.105 250 F CA 2.018 59.959 58.000 -0.098 0.000 1.239 250 F CB -2.151 36.732 39.000 -0.195 0.000 0.991 250 F HN -0.018 nan 8.300 nan 0.000 0.474 251 T N -1.537 113.102 114.554 0.143 0.000 2.708 251 T HA -0.189 4.369 4.350 0.348 0.000 0.266 251 T C 2.190 176.934 174.700 0.072 0.000 1.037 251 T CA 1.181 63.329 62.100 0.079 0.000 1.146 251 T CB -1.073 67.814 68.868 0.032 0.000 0.865 251 T HN 0.201 nan 8.240 nan 0.000 0.435 252 A N 2.017 124.879 122.820 0.071 0.000 1.940 252 A HA 0.225 4.753 4.320 0.348 0.000 0.219 252 A C 2.830 180.468 177.584 0.091 0.000 1.176 252 A CA 2.124 54.203 52.037 0.069 0.000 0.631 252 A CB -1.417 17.622 19.000 0.064 0.000 0.814 252 A HN 0.827 nan 8.150 nan 0.000 0.446 253 A N -0.490 122.414 122.820 0.139 0.000 1.898 253 A HA -0.047 4.481 4.320 0.348 0.000 0.216 253 A C 2.418 180.081 177.584 0.131 0.000 1.181 253 A CA 1.962 54.094 52.037 0.157 0.000 0.620 253 A CB -0.868 18.262 19.000 0.216 0.000 0.819 253 A HN 0.480 nan 8.150 nan 0.000 0.442 254 S N 0.237 116.006 115.700 0.115 0.000 2.383 254 S HA -0.157 4.522 4.470 0.348 0.000 0.229 254 S C 1.763 176.419 174.600 0.092 0.000 1.030 254 S CA 1.541 59.798 58.200 0.096 0.000 1.002 254 S CB -0.595 62.649 63.200 0.073 0.000 0.829 254 S HN 0.568 nan 8.310 nan 0.000 0.467 255 I N 1.490 122.103 120.570 0.072 0.000 2.163 255 I HA -0.180 4.199 4.170 0.348 0.000 0.243 255 I C 2.691 178.876 176.117 0.113 0.000 1.085 255 I CA 1.429 62.756 61.300 0.044 0.000 1.347 255 I CB -0.938 37.089 38.000 0.045 0.000 1.044 255 I HN 0.393 nan 8.210 nan 0.000 0.408 256 G N 0.065 108.980 108.800 0.193 0.000 2.408 256 G HA2 -0.134 4.034 3.960 0.348 0.000 0.215 256 G HA3 -0.134 4.034 3.960 0.348 0.000 0.215 256 G C 1.454 176.543 174.900 0.314 0.000 1.156 256 G CA 0.105 45.409 45.100 0.340 0.000 0.793 256 G HN 0.385 nan 8.290 nan 0.000 0.535 257 E N -0.474 119.841 120.200 0.193 0.000 2.219 257 E HA -0.228 4.331 4.350 0.348 0.000 0.198 257 E C 1.903 178.572 176.600 0.116 0.000 0.998 257 E CA 0.801 57.287 56.400 0.143 0.000 0.818 257 E CB -0.192 29.571 29.700 0.105 0.000 0.741 257 E HN 0.669 nan 8.360 nan 0.000 0.477 258 W N 0.792 122.027 121.300 -0.108 0.000 2.333 258 W HA -0.245 4.623 4.660 0.346 0.000 0.316 258 W C 1.688 178.069 176.519 -0.230 0.000 1.215 258 W CA 1.720 58.913 57.345 -0.253 0.000 1.278 258 W CB -0.452 28.720 29.460 -0.480 0.000 1.154 258 W HN -0.014 nan 8.180 nan 0.000 0.486 259 F N 0.283 120.374 119.950 0.234 0.000 2.126 259 F HA -0.172 4.562 4.527 0.346 0.000 0.299 259 F C 2.626 178.380 175.800 -0.077 0.000 1.096 259 F CA 2.119 60.166 58.000 0.079 0.000 1.255 259 F CB -1.511 37.644 39.000 0.257 0.000 0.997 259 F HN -0.158 nan 8.300 nan 0.000 0.479 260 R N 0.584 121.182 120.500 0.163 0.000 2.117 260 R HA -0.185 4.363 4.340 0.348 0.000 0.243 260 R C 1.595 177.867 176.300 -0.046 0.000 1.143 260 R CA 2.081 58.221 56.100 0.066 0.000 0.968 260 R CB -0.367 29.985 30.300 0.087 0.000 0.863 260 R HN 0.244 nan 8.270 nan 0.000 0.444 261 D N -0.339 119.978 120.400 -0.139 0.000 2.213 261 D HA -0.053 4.795 4.640 0.348 0.000 0.205 261 D C 0.625 176.762 176.300 -0.271 0.000 0.961 261 D CA 0.687 54.570 54.000 -0.196 0.000 0.853 261 D CB -0.133 40.531 40.800 -0.227 0.000 0.967 261 D HN 0.279 nan 8.370 nan 0.000 0.496 262 N N 0.483 118.935 118.700 -0.413 0.000 2.362 262 N HA 0.089 5.038 4.740 0.348 0.000 0.211 262 N C 0.936 176.313 175.510 -0.222 0.000 1.170 262 N CA 0.311 53.116 53.050 -0.408 0.000 0.828 262 N CB 1.026 39.072 38.487 -0.735 0.000 1.034 262 N HN 0.139 nan 8.380 nan 0.000 0.475 263 G N 1.093 109.793 108.800 -0.166 0.000 2.176 263 G HA2 -0.301 3.867 3.960 0.348 0.000 0.252 263 G HA3 -0.301 3.867 3.960 0.348 0.000 0.252 263 G C 0.011 174.793 174.900 -0.198 0.000 1.024 263 G CA 0.392 45.405 45.100 -0.144 0.000 0.755 263 G HN 0.341 nan 8.290 nan 0.000 0.507 264 K N -0.549 119.764 120.400 -0.145 0.000 2.306 264 K HA 0.673 5.201 4.320 0.348 0.000 0.236 264 K C -0.303 176.182 176.600 -0.192 0.000 1.013 264 K CA -1.080 55.116 56.287 -0.151 0.000 0.857 264 K CB 1.143 33.786 32.500 0.239 0.000 1.214 264 K HN 0.274 nan 8.250 nan 0.000 0.449 265 H N -0.208 118.891 119.070 0.048 0.000 2.457 265 H HA 0.579 5.343 4.556 0.347 0.000 0.335 265 H C -0.786 174.527 175.328 -0.026 0.000 1.115 265 H CA -0.706 55.330 56.048 -0.020 0.000 1.219 265 H CB 1.861 31.545 29.762 -0.131 0.000 1.471 265 H HN 0.698 nan 8.280 nan 0.000 0.491 266 A N 2.456 125.362 122.820 0.143 0.000 2.469 266 A HA 0.580 5.109 4.320 0.348 0.000 0.299 266 A C -1.394 176.212 177.584 0.038 0.000 1.098 266 A CA -0.667 51.423 52.037 0.087 0.000 0.737 266 A CB 1.827 20.984 19.000 0.261 0.000 1.312 266 A HN 0.443 nan 8.150 nan 0.000 0.414 267 L N 1.959 123.188 121.223 0.008 0.000 2.471 267 L HA 0.630 5.179 4.340 0.348 0.000 0.263 267 L C -1.194 175.649 176.870 -0.046 0.000 0.985 267 L CA -0.177 54.646 54.840 -0.028 0.000 0.868 267 L CB 0.949 42.980 42.059 -0.046 0.000 1.203 267 L HN 0.713 nan 8.230 nan 0.000 0.429 268 I N 4.917 125.422 120.570 -0.109 0.000 2.437 268 I HA 0.651 5.030 4.170 0.348 0.000 0.298 268 I C -1.110 174.782 176.117 -0.375 0.000 0.984 268 I CA -0.665 60.488 61.300 -0.246 0.000 1.214 268 I CB 1.612 39.405 38.000 -0.345 0.000 1.365 268 I HN 0.398 nan 8.210 nan 0.000 0.469 269 V N 7.715 127.371 119.914 -0.429 0.000 2.444 269 V HA 0.334 4.662 4.120 0.348 0.000 0.294 269 V C -1.081 174.671 176.094 -0.571 0.000 1.022 269 V CA -0.504 61.531 62.300 -0.441 0.000 0.850 269 V CB 1.234 32.851 31.823 -0.343 0.000 0.992 269 V HN 0.495 nan 8.190 nan 0.000 0.426 270 Y N 2.690 122.849 120.300 -0.236 0.000 2.313 270 Y HA 0.595 5.355 4.550 0.351 0.000 0.332 270 Y C 0.397 176.145 175.900 -0.252 0.000 1.071 270 Y CA -0.745 57.213 58.100 -0.237 0.000 1.169 270 Y CB 1.102 39.450 38.460 -0.187 0.000 1.192 270 Y HN 0.576 nan 8.280 nan 0.000 0.487 271 D N 3.945 124.276 120.400 -0.115 0.000 2.323 271 D HA 0.128 4.977 4.640 0.348 0.000 0.242 271 D C -1.858 174.435 176.300 -0.012 0.000 1.347 271 D CA -0.443 53.500 54.000 -0.095 0.000 0.988 271 D CB 0.628 41.322 40.800 -0.176 0.000 1.314 271 D HN 0.779 nan 8.370 nan 0.000 0.564 272 D N 1.857 122.262 120.400 0.009 0.000 2.581 272 D HA 0.120 4.969 4.640 0.348 0.000 0.232 272 D C 0.920 177.213 176.300 -0.012 0.000 1.143 272 D CA -0.654 53.339 54.000 -0.012 0.000 0.881 272 D CB 1.418 42.209 40.800 -0.015 0.000 1.500 272 D HN 0.063 nan 8.370 nan 0.000 0.458 273 L N 0.898 122.080 121.223 -0.068 0.000 2.376 273 L HA -0.059 4.489 4.340 0.348 0.000 0.219 273 L C 2.395 179.298 176.870 0.055 0.000 1.133 273 L CA 1.165 55.970 54.840 -0.058 0.000 0.816 273 L CB -0.880 40.964 42.059 -0.359 0.000 0.933 273 L HN 0.405 nan 8.230 nan 0.000 0.449 274 S N -0.643 115.066 115.700 0.015 0.000 2.368 274 S HA -0.131 4.547 4.470 0.348 0.000 0.225 274 S C 1.999 176.686 174.600 0.146 0.000 1.030 274 S CA 1.022 59.272 58.200 0.083 0.000 0.999 274 S CB -0.064 63.160 63.200 0.039 0.000 0.844 274 S HN 0.356 nan 8.310 nan 0.000 0.459 275 K N 1.418 121.881 120.400 0.105 0.000 2.062 275 K HA -0.060 4.468 4.320 0.348 0.000 0.205 275 K C 2.292 178.974 176.600 0.137 0.000 1.051 275 K CA 0.902 57.255 56.287 0.110 0.000 0.941 275 K CB -0.683 31.865 32.500 0.080 0.000 0.719 275 K HN 0.513 nan 8.250 nan 0.000 0.440 276 Q N 0.777 120.659 119.800 0.136 0.000 2.112 276 Q HA -0.175 4.373 4.340 0.348 0.000 0.206 276 Q C 1.907 178.050 176.000 0.239 0.000 0.987 276 Q CA 1.909 57.808 55.803 0.161 0.000 0.858 276 Q CB -0.104 28.687 28.738 0.088 0.000 0.905 276 Q HN 0.266 nan 8.270 nan 0.000 0.420 277 A N 0.021 123.010 122.820 0.282 0.000 1.930 277 A HA -0.114 4.415 4.320 0.348 0.000 0.217 277 A C 2.217 179.954 177.584 0.257 0.000 1.175 277 A CA 1.464 53.724 52.037 0.372 0.000 0.627 277 A CB -0.652 18.679 19.000 0.551 0.000 0.815 277 A HN 0.312 nan 8.150 nan 0.000 0.443 278 V N 0.035 120.059 119.914 0.184 0.000 2.287 278 V HA -0.278 4.051 4.120 0.348 0.000 0.248 278 V C 3.033 179.128 176.094 0.002 0.000 1.053 278 V CA 1.992 64.295 62.300 0.004 0.000 1.027 278 V CB -1.469 30.386 31.823 0.052 0.000 0.646 278 V HN 0.615 nan 8.190 nan 0.000 0.447 279 A N -0.515 122.362 122.820 0.093 0.000 1.851 279 A HA -0.294 4.235 4.320 0.348 0.000 0.216 279 A C 2.212 179.854 177.584 0.097 0.000 1.195 279 A CA 2.210 54.311 52.037 0.107 0.000 0.622 279 A CB -0.952 18.154 19.000 0.177 0.000 0.831 279 A HN 0.627 nan 8.150 nan 0.000 0.444 280 Y N 0.563 120.882 120.300 0.031 0.000 2.333 280 Y HA -0.182 4.577 4.550 0.350 0.000 0.290 280 Y C 2.415 178.243 175.900 -0.120 0.000 1.144 280 Y CA 1.848 59.888 58.100 -0.100 0.000 1.228 280 Y CB -0.309 38.142 38.460 -0.015 0.000 0.985 280 Y HN 0.358 nan 8.280 nan 0.000 0.542 281 R N 0.223 120.630 120.500 -0.156 0.000 2.115 281 R HA -0.201 4.347 4.340 0.348 0.000 0.230 281 R C 2.389 178.526 176.300 -0.272 0.000 1.111 281 R CA 1.655 57.575 56.100 -0.299 0.000 0.976 281 R CB -0.320 29.711 30.300 -0.448 0.000 0.870 281 R HN 0.557 nan 8.270 nan 0.000 0.445 282 Q N 0.293 119.978 119.800 -0.191 0.000 2.079 282 Q HA -0.152 4.396 4.340 0.348 0.000 0.200 282 Q C 1.826 177.731 176.000 -0.159 0.000 0.974 282 Q CA 1.246 56.963 55.803 -0.143 0.000 0.840 282 Q CB 0.066 28.756 28.738 -0.079 0.000 0.898 282 Q HN 0.283 nan 8.270 nan 0.000 0.430 283 L N 0.442 121.545 121.223 -0.200 0.000 2.046 283 L HA -0.146 4.403 4.340 0.348 0.000 0.208 283 L C 2.486 179.211 176.870 -0.242 0.000 1.077 283 L CA 1.604 56.319 54.840 -0.209 0.000 0.747 283 L CB -0.959 40.953 42.059 -0.246 0.000 0.896 283 L HN 0.098 nan 8.230 nan 0.000 0.432 284 S N -0.227 115.261 115.700 -0.354 0.000 2.354 284 S HA -0.154 4.524 4.470 0.348 0.000 0.219 284 S C 2.014 176.506 174.600 -0.181 0.000 1.035 284 S CA 1.402 59.422 58.200 -0.301 0.000 1.037 284 S CB -0.600 62.371 63.200 -0.382 0.000 0.956 284 S HN 0.322 nan 8.310 nan 0.000 0.428 285 L N 1.043 122.165 121.223 -0.168 0.000 2.043 285 L HA -0.168 4.380 4.340 0.348 0.000 0.212 285 L C 2.311 179.125 176.870 -0.092 0.000 1.075 285 L CA 1.219 55.990 54.840 -0.115 0.000 0.752 285 L CB -0.714 41.278 42.059 -0.111 0.000 0.891 285 L HN 0.281 nan 8.230 nan 0.000 0.432 286 L N -0.711 120.453 121.223 -0.099 0.000 2.156 286 L HA -0.135 4.414 4.340 0.348 0.000 0.208 286 L C 2.124 178.955 176.870 -0.066 0.000 1.095 286 L CA 0.681 55.477 54.840 -0.075 0.000 0.770 286 L CB -0.211 41.804 42.059 -0.074 0.000 0.914 286 L HN 0.267 nan 8.230 nan 0.000 0.439 287 L N -0.146 121.028 121.223 -0.081 0.000 2.650 287 L HA 0.045 4.593 4.340 0.348 0.000 0.235 287 L C 0.472 177.311 176.870 -0.053 0.000 1.149 287 L CA -0.119 54.683 54.840 -0.064 0.000 0.887 287 L CB -0.200 41.813 42.059 -0.076 0.000 1.021 287 L HN 0.280 nan 8.230 nan 0.000 0.441 288 R N 0.153 120.620 120.500 -0.056 0.000 3.651 288 R HA -0.149 4.399 4.340 0.348 0.000 0.292 288 R C -0.179 176.095 176.300 -0.044 0.000 1.161 288 R CA 0.570 56.644 56.100 -0.044 0.000 0.787 288 R CB -2.179 28.103 30.300 -0.030 0.000 1.249 288 R HN 0.427 nan 8.270 nan 0.000 0.476 289 R N 1.258 121.722 120.500 -0.060 0.000 2.234 289 R HA 0.253 4.802 4.340 0.348 0.000 0.324 289 R C -2.009 174.262 176.300 -0.048 0.000 1.054 289 R CA -1.772 54.295 56.100 -0.054 0.000 0.912 289 R CB 0.707 30.961 30.300 -0.076 0.000 1.030 289 R HN -0.163 nan 8.270 nan 0.000 0.455 290 P HA -0.056 nan 4.420 nan 0.000 0.261 290 P C -2.193 175.098 177.300 -0.015 0.000 1.173 290 P CA -0.454 62.635 63.100 -0.019 0.000 0.760 290 P CB 0.092 31.787 31.700 -0.008 0.000 0.783 291 P HA 0.143 nan 4.420 nan 0.000 0.276 291 P C 0.400 177.710 177.300 0.017 0.000 1.244 291 P CA -0.164 62.935 63.100 -0.002 0.000 0.801 291 P CB 1.396 33.086 31.700 -0.016 0.000 1.006 292 G N 1.861 110.687 108.800 0.044 0.000 2.593 292 G HA2 0.099 4.267 3.960 0.348 0.000 0.212 292 G HA3 0.099 4.267 3.960 0.348 0.000 0.212 292 G C -0.061 174.811 174.900 -0.046 0.000 1.934 292 G CA -0.062 45.055 45.100 0.027 0.000 0.861 292 G HN 0.558 nan 8.290 nan 0.000 0.629 293 R N 0.741 121.141 120.500 -0.166 0.000 2.343 293 R HA 0.342 4.891 4.340 0.348 0.000 0.320 293 R C -0.490 175.667 176.300 -0.238 0.000 0.956 293 R CA -0.024 55.886 56.100 -0.317 0.000 0.836 293 R CB 0.466 30.386 30.300 -0.633 0.000 1.151 293 R HN 0.619 nan 8.270 nan 0.000 0.450 294 E N 3.029 123.187 120.200 -0.070 0.000 2.637 294 E HA -0.322 4.237 4.350 0.348 0.000 0.265 294 E C 0.243 176.954 176.600 0.186 0.000 1.073 294 E CA 0.545 56.997 56.400 0.086 0.000 0.778 294 E CB -1.315 28.474 29.700 0.147 0.000 1.362 294 E HN 0.932 nan 8.360 nan 0.000 0.413 295 A N -2.271 120.594 122.820 0.076 0.000 3.601 295 A HA -0.311 4.217 4.320 0.348 0.000 0.266 295 A C 0.217 177.805 177.584 0.006 0.000 1.077 295 A CA 1.640 53.681 52.037 0.007 0.000 1.228 295 A CB -1.831 17.134 19.000 -0.060 0.000 1.099 295 A HN 0.412 nan 8.150 nan 0.000 0.916 296 Y N 0.403 120.710 120.300 0.012 0.000 2.480 296 Y HA 0.419 5.180 4.550 0.352 0.000 0.338 296 Y C -1.651 174.302 175.900 0.088 0.000 1.220 296 Y CA -1.120 57.037 58.100 0.096 0.000 1.430 296 Y CB -0.062 38.552 38.460 0.257 0.000 1.311 296 Y HN 0.177 nan 8.280 nan 0.000 0.575 297 P HA 0.005 nan 4.420 nan 0.000 0.269 297 P C 0.800 178.249 177.300 0.248 0.000 1.215 297 P CA 0.458 63.643 63.100 0.140 0.000 0.780 297 P CB 0.798 32.534 31.700 0.058 0.000 0.898 298 G N 2.424 111.333 108.800 0.180 0.000 2.476 298 G HA2 -0.255 3.914 3.960 0.348 0.000 0.218 298 G HA3 -0.255 3.914 3.960 0.348 0.000 0.218 298 G C 0.675 175.722 174.900 0.245 0.000 1.164 298 G CA 0.848 46.061 45.100 0.189 0.000 0.768 298 G HN 0.649 nan 8.290 nan 0.000 0.560 299 D N 0.917 121.476 120.400 0.264 0.000 2.400 299 D HA 0.057 4.906 4.640 0.348 0.000 0.243 299 D C 1.870 178.393 176.300 0.373 0.000 1.184 299 D CA -0.104 54.081 54.000 0.307 0.000 0.853 299 D CB 0.235 41.214 40.800 0.299 0.000 0.944 299 D HN 0.182 nan 8.370 nan 0.000 0.501 300 V N -0.104 120.035 119.914 0.374 0.000 2.490 300 V HA -0.216 4.113 4.120 0.348 0.000 0.250 300 V C 1.800 177.996 176.094 0.171 0.000 1.061 300 V CA 1.283 63.778 62.300 0.325 0.000 1.064 300 V CB -0.774 31.300 31.823 0.418 0.000 0.670 300 V HN 0.221 nan 8.190 nan 0.000 0.461 301 F N 0.382 120.383 119.950 0.085 0.000 2.075 301 F HA -0.224 4.320 4.527 0.027 0.000 0.297 301 F C 2.111 177.965 175.800 0.091 0.000 1.113 301 F CA 2.337 60.372 58.000 0.058 0.000 1.218 301 F CB -0.755 38.281 39.000 0.059 0.000 0.984 301 F HN 0.356 nan 8.300 nan 0.000 0.472 302 Y N 0.371 120.876 120.300 0.343 0.000 2.556 302 Y HA -0.147 4.599 4.550 0.326 0.000 0.290 302 Y C 1.854 177.774 175.900 0.034 0.000 1.149 302 Y CA 1.007 59.235 58.100 0.213 0.000 1.329 302 Y CB -0.508 38.060 38.460 0.180 0.000 0.975 302 Y HN 0.254 nan 8.280 nan 0.000 0.561 303 L N -0.833 120.315 121.223 -0.125 0.000 2.095 303 L HA -0.134 4.414 4.340 0.348 0.000 0.204 303 L C 1.998 178.659 176.870 -0.349 0.000 1.080 303 L CA 1.925 56.587 54.840 -0.297 0.000 0.759 303 L CB -0.660 41.125 42.059 -0.458 0.000 0.914 303 L HN 0.216 nan 8.230 nan 0.000 0.439 304 H N -1.692 117.238 119.070 -0.233 0.000 2.582 304 H HA 0.223 4.980 4.556 0.335 0.000 0.269 304 H C 2.324 177.457 175.328 -0.324 0.000 0.962 304 H CA 0.908 56.762 56.048 -0.323 0.000 1.230 304 H CB -0.038 29.511 29.762 -0.356 0.000 1.445 304 H HN 0.469 nan 8.280 nan 0.000 0.528 305 S N 1.740 117.294 115.700 -0.243 0.000 2.357 305 S HA -0.152 4.526 4.470 0.348 0.000 0.221 305 S C 1.933 176.486 174.600 -0.077 0.000 1.031 305 S CA 0.731 58.832 58.200 -0.165 0.000 0.982 305 S CB -0.322 62.889 63.200 0.017 0.000 0.853 305 S HN 0.526 nan 8.310 nan 0.000 0.458 306 R N 0.476 120.875 120.500 -0.169 0.000 2.328 306 R HA 0.339 4.888 4.340 0.348 0.000 0.200 306 R C 1.619 177.907 176.300 -0.020 0.000 0.983 306 R CA 0.302 56.310 56.100 -0.153 0.000 1.062 306 R CB -0.305 29.719 30.300 -0.459 0.000 0.956 306 R HN 0.434 nan 8.270 nan 0.000 0.479 307 L N -0.071 121.139 121.223 -0.022 0.000 2.435 307 L HA 0.241 4.790 4.340 0.348 0.000 0.195 307 L C 1.787 178.634 176.870 -0.038 0.000 1.072 307 L CA 0.938 55.758 54.840 -0.033 0.000 0.833 307 L CB -0.101 41.785 42.059 -0.288 0.000 1.081 307 L HN 0.144 nan 8.230 nan 0.000 0.485 308 L N -0.219 120.962 121.223 -0.068 0.000 2.093 308 L HA -0.068 4.480 4.340 0.348 0.000 0.208 308 L C 2.322 179.208 176.870 0.026 0.000 1.085 308 L CA 0.748 55.582 54.840 -0.010 0.000 0.755 308 L CB -0.677 41.352 42.059 -0.050 0.000 0.904 308 L HN 0.283 nan 8.230 nan 0.000 0.435 309 E N 0.631 120.842 120.200 0.019 0.000 2.333 309 E HA -0.163 4.395 4.350 0.348 0.000 0.198 309 E C 2.115 178.745 176.600 0.050 0.000 1.007 309 E CA 0.704 57.127 56.400 0.039 0.000 0.845 309 E CB -0.092 29.636 29.700 0.047 0.000 0.766 309 E HN 0.501 nan 8.360 nan 0.000 0.507 310 R N 0.374 120.909 120.500 0.059 0.000 2.280 310 R HA 0.058 4.607 4.340 0.348 0.000 0.207 310 R C 0.739 177.085 176.300 0.078 0.000 1.043 310 R CA 0.520 56.663 56.100 0.072 0.000 1.006 310 R CB 0.149 30.505 30.300 0.093 0.000 0.885 310 R HN -0.084 nan 8.270 nan 0.000 0.467 311 A N 0.998 123.865 122.820 0.078 0.000 2.271 311 A HA 0.738 5.266 4.320 0.348 0.000 0.317 311 A C -0.533 177.084 177.584 0.055 0.000 1.245 311 A CA -0.277 51.803 52.037 0.073 0.000 0.857 311 A CB 1.026 20.074 19.000 0.079 0.000 1.175 311 A HN 0.229 nan 8.150 nan 0.000 0.512 312 A N 2.110 124.962 122.820 0.053 0.000 2.515 312 A HA 0.682 5.210 4.320 0.348 0.000 0.292 312 A C -0.976 176.638 177.584 0.049 0.000 1.065 312 A CA -0.753 51.310 52.037 0.044 0.000 0.641 312 A CB 0.593 19.618 19.000 0.042 0.000 1.306 312 A HN 0.872 nan 8.150 nan 0.000 0.441 313 K N 0.893 121.322 120.400 0.047 0.000 2.258 313 K HA 0.632 5.161 4.320 0.348 0.000 0.284 313 K C -0.823 175.809 176.600 0.054 0.000 1.051 313 K CA -0.026 56.297 56.287 0.060 0.000 0.923 313 K CB 0.109 32.651 32.500 0.069 0.000 1.046 313 K HN 0.536 nan 8.250 nan 0.000 0.474 314 L N 2.424 123.680 121.223 0.055 0.000 2.421 314 L HA 0.312 4.860 4.340 0.348 0.000 0.263 314 L C 0.646 177.536 176.870 0.033 0.000 1.122 314 L CA -0.779 54.083 54.840 0.036 0.000 0.804 314 L CB 1.501 43.574 42.059 0.023 0.000 1.150 314 L HN 0.717 nan 8.230 nan 0.000 0.457 315 S N 0.089 115.799 115.700 0.017 0.000 2.576 315 S HA -0.059 4.619 4.470 0.348 0.000 0.272 315 S C 1.101 175.705 174.600 0.006 0.000 1.352 315 S CA -0.094 58.111 58.200 0.008 0.000 1.021 315 S CB 0.774 63.975 63.200 0.001 0.000 0.887 315 S HN 0.748 nan 8.310 nan 0.000 0.542 316 E N 1.801 122.001 120.200 0.001 0.000 2.160 316 E HA -0.206 4.352 4.350 0.348 0.000 0.195 316 E C 1.876 178.471 176.600 -0.008 0.000 0.991 316 E CA 1.386 57.785 56.400 -0.002 0.000 0.810 316 E CB -0.125 29.570 29.700 -0.008 0.000 0.742 316 E HN 0.715 nan 8.360 nan 0.000 0.466 317 K N 0.169 120.563 120.400 -0.010 0.000 2.148 317 K HA -0.152 4.377 4.320 0.348 0.000 0.204 317 K C 1.721 178.310 176.600 -0.018 0.000 1.050 317 K CA 1.305 57.585 56.287 -0.013 0.000 0.942 317 K CB 0.186 32.680 32.500 -0.011 0.000 0.724 317 K HN 0.050 nan 8.250 nan 0.000 0.446 318 E N -1.030 119.160 120.200 -0.016 0.000 2.170 318 E HA -0.005 4.553 4.350 0.348 0.000 0.191 318 E C 1.270 177.847 176.600 -0.038 0.000 0.981 318 E CA 1.233 57.618 56.400 -0.025 0.000 0.830 318 E CB 0.773 30.463 29.700 -0.016 0.000 0.775 318 E HN 0.581 nan 8.360 nan 0.000 0.470 319 G N -0.498 108.283 108.800 -0.031 0.000 3.288 319 G HA2 -0.159 4.009 3.960 0.348 0.000 0.219 319 G HA3 -0.159 4.009 3.960 0.348 0.000 0.219 319 G C 0.328 175.208 174.900 -0.032 0.000 0.944 319 G CA 0.077 45.150 45.100 -0.045 0.000 0.854 319 G HN 0.041 nan 8.290 nan 0.000 0.632 320 S N -1.076 114.624 115.700 -0.001 0.000 3.490 320 S HA -0.131 4.547 4.470 0.348 0.000 0.301 320 S C 1.332 175.962 174.600 0.049 0.000 1.233 320 S CA 1.344 59.570 58.200 0.042 0.000 0.914 320 S CB -1.597 61.634 63.200 0.051 0.000 1.047 320 S HN 1.968 nan 8.310 nan 0.000 0.602 321 G N 0.424 109.226 108.800 0.004 0.000 2.572 321 G HA2 0.610 4.778 3.960 0.348 0.000 0.261 321 G HA3 0.610 4.778 3.960 0.348 0.000 0.261 321 G C -0.281 174.675 174.900 0.094 0.000 1.197 321 G CA 0.372 45.468 45.100 -0.005 0.000 0.870 321 G HN 0.808 nan 8.290 nan 0.000 0.548 322 S N -1.182 114.608 115.700 0.150 0.000 2.567 322 S HA 0.545 5.224 4.470 0.348 0.000 0.270 322 S C -2.083 172.602 174.600 0.141 0.000 1.152 322 S CA -0.598 57.695 58.200 0.154 0.000 0.835 322 S CB 1.602 64.908 63.200 0.177 0.000 1.115 322 S HN 1.047 nan 8.310 nan 0.000 0.459 323 L N 3.093 124.373 121.223 0.095 0.000 2.482 323 L HA 0.694 5.243 4.340 0.348 0.000 0.269 323 L C -0.636 176.259 176.870 0.042 0.000 0.967 323 L CA 0.276 55.166 54.840 0.085 0.000 0.851 323 L CB 1.739 43.859 42.059 0.101 0.000 1.242 323 L HN 0.725 nan 8.230 nan 0.000 0.404 324 T N 3.663 118.225 114.554 0.012 0.000 2.902 324 T HA 0.890 5.449 4.350 0.348 0.000 0.283 324 T C -0.436 174.246 174.700 -0.029 0.000 1.009 324 T CA -0.212 61.879 62.100 -0.016 0.000 1.051 324 T CB 1.557 70.397 68.868 -0.047 0.000 0.999 324 T HN 0.813 nan 8.240 nan 0.000 0.474 325 A N 2.562 125.369 122.820 -0.021 0.000 2.374 325 A HA 0.742 5.271 4.320 0.348 0.000 0.305 325 A C -0.795 176.773 177.584 -0.027 0.000 1.053 325 A CA -0.713 51.307 52.037 -0.028 0.000 0.726 325 A CB 0.771 19.817 19.000 0.076 0.000 1.229 325 A HN 0.828 nan 8.150 nan 0.000 0.431 326 L N 4.198 125.379 121.223 -0.069 0.000 2.581 326 L HA 0.309 4.858 4.340 0.348 0.000 0.241 326 L C -2.293 174.557 176.870 -0.033 0.000 1.265 326 L CA -1.719 53.089 54.840 -0.053 0.000 0.954 326 L CB 1.333 43.348 42.059 -0.074 0.000 1.269 326 L HN 0.480 nan 8.230 nan 0.000 0.475 327 P HA 0.018 nan 4.420 nan 0.000 0.266 327 P C -0.499 176.776 177.300 -0.042 0.000 1.195 327 P CA 0.146 63.274 63.100 0.047 0.000 0.768 327 P CB 1.681 33.365 31.700 -0.027 0.000 0.838 328 V N 4.960 124.840 119.914 -0.057 0.000 2.540 328 V HA 0.458 4.787 4.120 0.348 0.000 0.302 328 V C 0.511 176.549 176.094 -0.094 0.000 1.035 328 V CA -0.581 61.673 62.300 -0.076 0.000 0.873 328 V CB 1.708 33.493 31.823 -0.063 0.000 0.992 328 V HN 0.396 nan 8.190 nan 0.000 0.428 329 I N 3.039 123.546 120.570 -0.106 0.000 2.740 329 I HA 0.532 4.910 4.170 0.348 0.000 0.303 329 I C -0.308 175.755 176.117 -0.091 0.000 1.044 329 I CA -0.606 60.629 61.300 -0.108 0.000 1.064 329 I CB 2.506 40.423 38.000 -0.137 0.000 1.249 329 I HN 0.673 nan 8.210 nan 0.000 0.433 330 E N 4.209 124.372 120.200 -0.062 0.000 2.149 330 E HA 0.298 4.857 4.350 0.348 0.000 0.255 330 E C -0.741 175.836 176.600 -0.038 0.000 0.888 330 E CA -0.542 55.830 56.400 -0.047 0.000 0.742 330 E CB 1.095 30.787 29.700 -0.015 0.000 1.164 330 E HN 0.714 nan 8.360 nan 0.000 0.422 331 T N 1.710 116.225 114.554 -0.064 0.000 2.849 331 T HA 0.282 4.841 4.350 0.348 0.000 0.284 331 T C 0.089 174.782 174.700 -0.012 0.000 1.004 331 T CA -0.887 61.187 62.100 -0.043 0.000 1.021 331 T CB 1.396 70.219 68.868 -0.074 0.000 1.013 331 T HN 0.329 nan 8.240 nan 0.000 0.527 332 Q N 0.466 120.273 119.800 0.011 0.000 2.333 332 Q HA 0.476 5.025 4.340 0.348 0.000 0.265 332 Q C 1.017 177.036 176.000 0.032 0.000 0.989 332 Q CA -0.030 55.787 55.803 0.024 0.000 0.842 332 Q CB 1.276 30.036 28.738 0.035 0.000 1.262 332 Q HN 1.301 nan 8.270 nan 0.000 0.451 333 G N 1.763 110.584 108.800 0.035 0.000 2.203 333 G HA2 -0.275 3.894 3.960 0.348 0.000 0.263 333 G HA3 -0.275 3.894 3.960 0.348 0.000 0.263 333 G C 0.791 175.728 174.900 0.062 0.000 1.012 333 G CA 0.768 45.895 45.100 0.046 0.000 0.749 333 G HN 1.365 nan 8.290 nan 0.000 0.512 334 G N -0.898 107.938 108.800 0.060 0.000 2.143 334 G HA2 -0.194 3.974 3.960 0.348 0.000 0.248 334 G HA3 -0.194 3.974 3.960 0.348 0.000 0.248 334 G C 0.109 175.080 174.900 0.118 0.000 0.991 334 G CA 0.978 46.139 45.100 0.101 0.000 0.689 334 G HN 1.510 nan 8.290 nan 0.000 0.522 335 D N 0.488 120.933 120.400 0.075 0.000 2.422 335 D HA 0.424 5.273 4.640 0.348 0.000 0.227 335 D C 1.758 178.099 176.300 0.067 0.000 1.190 335 D CA 0.300 54.345 54.000 0.075 0.000 0.905 335 D CB 0.692 41.527 40.800 0.058 0.000 1.034 335 D HN 0.579 nan 8.370 nan 0.000 0.507 336 V N 1.012 120.988 119.914 0.104 0.000 3.461 336 V HA 0.038 4.367 4.120 0.348 0.000 0.267 336 V C 1.381 177.517 176.094 0.070 0.000 1.186 336 V CA 0.535 62.889 62.300 0.090 0.000 1.154 336 V CB -0.139 31.800 31.823 0.193 0.000 0.802 336 V HN 0.328 nan 8.190 nan 0.000 0.474 337 S N 1.118 116.860 115.700 0.070 0.000 2.650 337 S HA 0.527 5.205 4.470 0.348 0.000 0.219 337 S C 1.243 175.880 174.600 0.062 0.000 0.960 337 S CA 0.410 58.647 58.200 0.063 0.000 0.925 337 S CB -0.343 62.894 63.200 0.060 0.000 0.775 337 S HN 0.906 nan 8.310 nan 0.000 0.525 338 A N 0.610 123.463 122.820 0.054 0.000 2.325 338 A HA 0.346 4.874 4.320 0.348 0.000 0.260 338 A C 0.905 178.538 177.584 0.081 0.000 1.133 338 A CA -0.037 52.038 52.037 0.064 0.000 0.801 338 A CB -0.155 18.870 19.000 0.042 0.000 1.092 338 A HN 0.355 nan 8.150 nan 0.000 0.504 339 Y N -0.101 120.161 120.300 -0.063 0.000 2.130 339 Y HA -0.116 4.654 4.550 0.367 0.000 0.287 339 Y C 1.974 177.813 175.900 -0.102 0.000 1.124 339 Y CA 1.940 59.984 58.100 -0.093 0.000 1.118 339 Y CB -0.151 38.206 38.460 -0.171 0.000 0.994 339 Y HN 0.438 nan 8.280 nan 0.000 0.497 340 I N 0.819 121.271 120.570 -0.198 0.000 2.179 340 I HA -0.176 4.203 4.170 0.348 0.000 0.242 340 I C -0.477 175.541 176.117 -0.164 0.000 1.088 340 I CA 1.340 62.505 61.300 -0.224 0.000 1.357 340 I CB -2.761 35.173 38.000 -0.111 0.000 1.051 340 I HN 0.196 nan 8.210 nan 0.000 0.409 341 P HA -0.101 nan 4.420 nan 0.000 0.215 341 P C 1.820 179.069 177.300 -0.084 0.000 1.157 341 P CA 1.726 64.768 63.100 -0.098 0.000 0.868 341 P CB -0.204 31.461 31.700 -0.059 0.000 0.788 342 T N -0.445 114.074 114.554 -0.058 0.000 2.759 342 T HA -0.151 4.408 4.350 0.348 0.000 0.269 342 T C 1.629 176.310 174.700 -0.032 0.000 1.042 342 T CA 1.308 63.392 62.100 -0.026 0.000 1.140 342 T CB -0.965 67.903 68.868 -0.001 0.000 0.864 342 T HN 0.144 nan 8.240 nan 0.000 0.455 343 N N 0.711 119.356 118.700 -0.091 0.000 2.205 343 N HA -0.070 4.879 4.740 0.348 0.000 0.186 343 N C 1.765 177.183 175.510 -0.154 0.000 1.015 343 N CA 0.883 53.896 53.050 -0.062 0.000 0.862 343 N CB -0.186 38.215 38.487 -0.144 0.000 0.986 343 N HN 0.284 nan 8.380 nan 0.000 0.429 344 V N 0.960 120.772 119.914 -0.170 0.000 2.949 344 V HA 0.075 4.403 4.120 0.348 0.000 0.245 344 V C 2.160 178.180 176.094 -0.122 0.000 1.086 344 V CA 0.288 62.460 62.300 -0.213 0.000 1.097 344 V CB 0.009 31.654 31.823 -0.297 0.000 0.762 344 V HN 0.132 nan 8.190 nan 0.000 0.470 345 I N 0.831 121.357 120.570 -0.075 0.000 2.423 345 I HA -0.225 4.154 4.170 0.348 0.000 0.254 345 I C 2.281 178.398 176.117 -0.000 0.000 1.151 345 I CA 1.520 62.804 61.300 -0.027 0.000 1.421 345 I CB -0.363 37.638 38.000 0.001 0.000 1.079 345 I HN 0.281 nan 8.210 nan 0.000 0.431 346 S N 0.444 116.153 115.700 0.016 0.000 2.489 346 S HA 0.084 4.763 4.470 0.348 0.000 0.228 346 S C 1.834 176.469 174.600 0.059 0.000 0.995 346 S CA 0.819 59.059 58.200 0.065 0.000 0.934 346 S CB 0.012 63.300 63.200 0.148 0.000 0.771 346 S HN 0.417 nan 8.310 nan 0.000 0.522 347 I N 1.189 121.760 120.570 0.001 0.000 3.172 347 I HA 0.014 4.392 4.170 0.348 0.000 0.278 347 I C 1.010 177.120 176.117 -0.013 0.000 1.174 347 I CA 0.315 61.609 61.300 -0.010 0.000 1.445 347 I CB -0.491 37.449 38.000 -0.100 0.000 1.175 347 I HN 0.215 nan 8.210 nan 0.000 0.447 348 T N -0.832 113.704 114.554 -0.031 0.000 2.918 348 T HA 0.074 4.632 4.350 0.348 0.000 0.302 348 T C 0.223 174.921 174.700 -0.003 0.000 1.045 348 T CA -0.476 61.610 62.100 -0.022 0.000 1.114 348 T CB 0.825 69.670 68.868 -0.037 0.000 0.965 348 T HN 0.010 nan 8.240 nan 0.000 0.540 349 D N 2.144 122.544 120.400 0.001 0.000 3.008 349 D HA 0.397 5.246 4.640 0.348 0.000 0.242 349 D C 1.149 177.453 176.300 0.007 0.000 1.222 349 D CA 0.797 54.801 54.000 0.007 0.000 0.883 349 D CB -0.756 40.047 40.800 0.006 0.000 1.110 349 D HN 1.062 nan 8.370 nan 0.000 0.455 350 G N 1.163 109.969 108.800 0.010 0.000 2.479 350 G HA2 0.017 4.185 3.960 0.348 0.000 0.686 350 G HA3 0.017 4.185 3.960 0.348 0.000 0.686 350 G C -1.210 173.699 174.900 0.015 0.000 1.295 350 G CA -0.989 44.121 45.100 0.016 0.000 0.922 350 G HN 0.323 nan 8.290 nan 0.000 0.582 351 Q N -1.469 118.350 119.800 0.032 0.000 2.377 351 Q HA 0.717 5.265 4.340 0.348 0.000 0.279 351 Q C -0.964 175.073 176.000 0.061 0.000 1.049 351 Q CA -1.172 54.652 55.803 0.035 0.000 0.825 351 Q CB 2.186 30.951 28.738 0.045 0.000 1.401 351 Q HN 0.698 nan 8.270 nan 0.000 0.404 352 I N 2.823 123.419 120.570 0.043 0.000 2.317 352 I HA 0.231 4.610 4.170 0.348 0.000 0.286 352 I C -0.660 175.510 176.117 0.088 0.000 1.119 352 I CA -0.627 60.711 61.300 0.063 0.000 1.228 352 I CB 0.040 38.057 38.000 0.029 0.000 1.476 352 I HN 0.583 nan 8.210 nan 0.000 0.514 353 F N 6.566 126.515 119.950 -0.001 0.000 2.578 353 F HA 0.205 4.938 4.527 0.343 0.000 0.376 353 F C -0.204 175.601 175.800 0.007 0.000 1.085 353 F CA 0.363 58.365 58.000 0.002 0.000 1.260 353 F CB 0.372 39.375 39.000 0.005 0.000 1.095 353 F HN 0.201 nan 8.300 nan 0.000 0.573 354 L N 6.275 127.522 121.223 0.040 0.000 2.349 354 L HA 0.404 4.953 4.340 0.348 0.000 0.278 354 L C -0.655 176.302 176.870 0.144 0.000 0.996 354 L CA -0.683 54.227 54.840 0.116 0.000 0.825 354 L CB 1.808 43.880 42.059 0.021 0.000 1.243 354 L HN 0.543 nan 8.230 nan 0.000 0.412 355 E N 1.291 121.636 120.200 0.241 0.000 2.191 355 E HA 0.400 4.958 4.350 0.348 0.000 0.278 355 E C 0.376 177.043 176.600 0.113 0.000 0.972 355 E CA -0.360 56.175 56.400 0.224 0.000 0.804 355 E CB 2.410 32.259 29.700 0.249 0.000 1.110 355 E HN 0.732 nan 8.360 nan 0.000 0.394 356 A N 3.154 126.015 122.820 0.068 0.000 1.902 356 A HA -0.247 4.281 4.320 0.348 0.000 0.217 356 A C 1.962 179.531 177.584 -0.027 0.000 1.181 356 A CA 1.793 53.805 52.037 -0.041 0.000 0.623 356 A CB -0.333 18.689 19.000 0.037 0.000 0.818 356 A HN 0.825 nan 8.150 nan 0.000 0.443 357 E N -0.143 120.153 120.200 0.159 0.000 2.118 357 E HA -0.171 4.388 4.350 0.348 0.000 0.195 357 E C 1.816 178.529 176.600 0.190 0.000 0.992 357 E CA 1.134 57.688 56.400 0.256 0.000 0.804 357 E CB -0.204 29.612 29.700 0.194 0.000 0.741 357 E HN 0.661 nan 8.360 nan 0.000 0.458 358 L N -0.072 121.222 121.223 0.118 0.000 2.217 358 L HA -0.079 4.469 4.340 0.348 0.000 0.211 358 L C 2.296 179.198 176.870 0.052 0.000 1.107 358 L CA 0.376 55.269 54.840 0.088 0.000 0.783 358 L CB -0.378 41.727 42.059 0.076 0.000 0.919 358 L HN 0.199 nan 8.230 nan 0.000 0.442 359 F N 0.483 120.332 119.950 -0.169 0.000 2.095 359 F HA -0.283 4.452 4.527 0.347 0.000 0.298 359 F C 2.309 177.976 175.800 -0.222 0.000 1.104 359 F CA 1.677 59.518 58.000 -0.265 0.000 1.232 359 F CB -0.320 38.398 39.000 -0.470 0.000 0.987 359 F HN -0.032 nan 8.300 nan 0.000 0.475 360 Y N 0.267 120.773 120.300 0.343 0.000 2.242 360 Y HA -0.097 4.662 4.550 0.348 0.000 0.291 360 Y C 2.306 178.264 175.900 0.098 0.000 1.137 360 Y CA 1.219 59.454 58.100 0.224 0.000 1.181 360 Y CB -1.104 37.458 38.460 0.171 0.000 0.989 360 Y HN -0.036 nan 8.280 nan 0.000 0.527 361 K N -0.572 119.956 120.400 0.213 0.000 2.360 361 K HA -0.064 4.465 4.320 0.348 0.000 0.201 361 K C 1.491 178.123 176.600 0.052 0.000 1.046 361 K CA 1.079 57.438 56.287 0.120 0.000 0.940 361 K CB -0.428 32.133 32.500 0.100 0.000 0.748 361 K HN 0.567 nan 8.250 nan 0.000 0.465 362 G N 0.808 109.605 108.800 -0.006 0.000 2.184 362 G HA2 -0.204 3.965 3.960 0.348 0.000 0.206 362 G HA3 -0.204 3.965 3.960 0.348 0.000 0.206 362 G C 0.114 174.942 174.900 -0.121 0.000 0.995 362 G CA -0.456 44.599 45.100 -0.075 0.000 0.651 362 G HN 0.180 nan 8.290 nan 0.000 0.511 363 I N 2.085 122.595 120.570 -0.100 0.000 2.389 363 I HA 0.334 4.713 4.170 0.348 0.000 0.295 363 I C 0.620 176.626 176.117 -0.185 0.000 1.117 363 I CA 0.162 61.404 61.300 -0.097 0.000 1.317 363 I CB 0.213 38.195 38.000 -0.029 0.000 1.431 363 I HN 0.042 nan 8.210 nan 0.000 0.521 364 R N 7.767 128.139 120.500 -0.213 0.000 2.502 364 R HA 0.408 4.957 4.340 0.348 0.000 0.300 364 R C -2.644 173.571 176.300 -0.141 0.000 0.984 364 R CA -1.739 54.199 56.100 -0.271 0.000 0.882 364 R CB 1.990 32.017 30.300 -0.455 0.000 1.180 364 R HN 0.271 nan 8.270 nan 0.000 0.444 365 P HA 0.056 nan 4.420 nan 0.000 0.275 365 P C -0.489 176.793 177.300 -0.029 0.000 1.227 365 P CA -0.305 62.762 63.100 -0.055 0.000 0.781 365 P CB 1.137 32.827 31.700 -0.018 0.000 0.906 366 A N 4.963 127.792 122.820 0.015 0.000 3.048 366 A HA 0.205 4.734 4.320 0.348 0.000 0.264 366 A C 0.687 178.319 177.584 0.081 0.000 1.796 366 A CA -0.361 51.705 52.037 0.048 0.000 1.445 366 A CB -1.511 17.552 19.000 0.106 0.000 1.074 366 A HN 0.469 nan 8.150 nan 0.000 0.621 367 I N 1.443 122.049 120.570 0.059 0.000 2.322 367 I HA 0.040 4.419 4.170 0.348 0.000 0.292 367 I C 0.410 176.577 176.117 0.082 0.000 1.060 367 I CA -0.434 60.914 61.300 0.080 0.000 1.309 367 I CB 0.597 38.627 38.000 0.051 0.000 1.415 367 I HN 0.467 nan 8.210 nan 0.000 0.492 368 N N 6.132 124.904 118.700 0.120 0.000 2.402 368 N HA 0.085 5.034 4.740 0.348 0.000 0.259 368 N C 0.824 176.348 175.510 0.024 0.000 1.167 368 N CA -0.095 52.985 53.050 0.050 0.000 0.949 368 N CB 1.019 39.491 38.487 -0.026 0.000 1.212 368 N HN 0.416 nan 8.380 nan 0.000 0.493 369 V N 3.186 123.112 119.914 0.021 0.000 2.407 369 V HA -0.158 4.171 4.120 0.348 0.000 0.248 369 V C 2.360 178.451 176.094 -0.005 0.000 1.055 369 V CA 2.107 64.418 62.300 0.018 0.000 1.049 369 V CB -1.180 30.659 31.823 0.026 0.000 0.662 369 V HN 0.800 nan 8.190 nan 0.000 0.455 370 G N -0.262 108.520 108.800 -0.031 0.000 2.475 370 G HA2 -0.220 3.949 3.960 0.348 0.000 0.220 370 G HA3 -0.220 3.949 3.960 0.348 0.000 0.220 370 G C 1.455 176.307 174.900 -0.080 0.000 1.125 370 G CA 1.188 46.254 45.100 -0.057 0.000 0.755 370 G HN 0.527 nan 8.290 nan 0.000 0.565 371 L N -0.118 121.040 121.223 -0.110 0.000 2.749 371 L HA 0.236 4.785 4.340 0.348 0.000 0.242 371 L C 0.456 177.335 176.870 0.015 0.000 1.103 371 L CA -0.116 54.654 54.840 -0.115 0.000 0.906 371 L CB 0.582 42.411 42.059 -0.383 0.000 1.228 371 L HN -0.029 nan 8.230 nan 0.000 0.517 372 S N 1.341 117.068 115.700 0.045 0.000 2.489 372 S HA 0.500 5.179 4.470 0.348 0.000 0.277 372 S C -0.107 174.519 174.600 0.045 0.000 1.230 372 S CA -0.474 57.773 58.200 0.079 0.000 1.053 372 S CB 1.541 64.795 63.200 0.090 0.000 0.955 372 S HN 0.116 nan 8.310 nan 0.000 0.488 373 V N 0.327 120.267 119.914 0.043 0.000 3.181 373 V HA 0.937 5.265 4.120 0.348 0.000 0.308 373 V C -0.470 175.638 176.094 0.024 0.000 1.214 373 V CA -0.920 61.397 62.300 0.028 0.000 1.053 373 V CB 1.935 33.772 31.823 0.024 0.000 1.069 373 V HN 0.673 nan 8.190 nan 0.000 0.441 374 S N 0.292 116.002 115.700 0.017 0.000 2.594 374 S HA 0.539 5.217 4.470 0.348 0.000 0.296 374 S C 0.530 175.136 174.600 0.010 0.000 1.124 374 S CA -0.726 57.481 58.200 0.011 0.000 1.011 374 S CB 1.871 65.074 63.200 0.006 0.000 1.016 374 S HN 0.821 nan 8.310 nan 0.000 0.485 375 R N 2.874 123.380 120.500 0.010 0.000 2.148 375 R HA 0.019 4.568 4.340 0.348 0.000 0.223 375 R C 1.667 177.972 176.300 0.009 0.000 1.088 375 R CA 1.133 57.240 56.100 0.011 0.000 0.985 375 R CB -0.358 29.950 30.300 0.013 0.000 0.880 375 R HN 0.550 nan 8.270 nan 0.000 0.451 376 V N 0.377 120.294 119.914 0.005 0.000 2.453 376 V HA -0.017 4.311 4.120 0.348 0.000 0.247 376 V C 1.557 177.653 176.094 0.003 0.000 1.048 376 V CA 1.451 63.753 62.300 0.004 0.000 1.049 376 V CB -0.870 30.952 31.823 -0.003 0.000 0.672 376 V HN 0.695 nan 8.190 nan 0.000 0.457 377 G N 0.833 109.634 108.800 0.002 0.000 2.552 377 G HA2 -0.365 3.803 3.960 0.348 0.000 0.265 377 G HA3 -0.365 3.803 3.960 0.348 0.000 0.265 377 G C 1.049 175.948 174.900 -0.001 0.000 1.234 377 G CA 0.984 46.086 45.100 0.003 0.000 0.944 377 G HN 0.939 nan 8.290 nan 0.000 0.568 378 S N 0.213 115.915 115.700 0.002 0.000 2.442 378 S HA 0.174 4.853 4.470 0.348 0.000 0.236 378 S C 2.654 177.253 174.600 -0.003 0.000 1.007 378 S CA 2.002 60.202 58.200 -0.000 0.000 0.965 378 S CB -0.552 62.650 63.200 0.003 0.000 0.773 378 S HN 2.169 nan 8.310 nan 0.000 0.504 379 A N 1.889 124.710 122.820 0.002 0.000 1.948 379 A HA 0.127 4.655 4.320 0.348 0.000 0.220 379 A C 2.469 180.052 177.584 -0.002 0.000 1.177 379 A CA 1.956 53.998 52.037 0.008 0.000 0.636 379 A CB -1.300 17.710 19.000 0.016 0.000 0.815 379 A HN 0.918 nan 8.150 nan 0.000 0.449 380 A N -1.384 121.425 122.820 -0.019 0.000 1.984 380 A HA 0.149 4.678 4.320 0.348 0.000 0.214 380 A C 1.400 178.948 177.584 -0.059 0.000 1.173 380 A CA 0.699 52.706 52.037 -0.049 0.000 0.673 380 A CB -0.339 18.631 19.000 -0.050 0.000 0.830 380 A HN 0.635 nan 8.150 nan 0.000 0.453 381 Q N 0.387 120.164 119.800 -0.037 0.000 2.479 381 Q HA 0.256 4.804 4.340 0.348 0.000 0.267 381 Q C -0.550 175.427 176.000 -0.037 0.000 1.071 381 Q CA -0.142 55.642 55.803 -0.033 0.000 0.935 381 Q CB 0.517 29.246 28.738 -0.015 0.000 1.295 381 Q HN 0.256 nan 8.270 nan 0.000 0.476 382 V N 4.285 124.178 119.914 -0.034 0.000 2.740 382 V HA -0.062 4.266 4.120 0.348 0.000 0.303 382 V C 1.245 177.327 176.094 -0.019 0.000 1.054 382 V CA -0.153 62.127 62.300 -0.032 0.000 1.106 382 V CB 1.079 32.890 31.823 -0.021 0.000 0.957 382 V HN 0.855 nan 8.190 nan 0.000 0.486 383 K N 3.235 123.624 120.400 -0.019 0.000 2.057 383 K HA -0.129 4.400 4.320 0.348 0.000 0.207 383 K C 2.162 178.755 176.600 -0.011 0.000 1.049 383 K CA 1.569 57.848 56.287 -0.013 0.000 0.931 383 K CB -0.696 31.796 32.500 -0.012 0.000 0.714 383 K HN 0.799 nan 8.250 nan 0.000 0.440 384 A N 1.740 124.552 122.820 -0.013 0.000 1.851 384 A HA -0.182 4.346 4.320 0.348 0.000 0.216 384 A C 2.210 179.788 177.584 -0.009 0.000 1.195 384 A CA 1.616 53.643 52.037 -0.016 0.000 0.622 384 A CB -0.803 18.186 19.000 -0.018 0.000 0.831 384 A HN 0.240 nan 8.150 nan 0.000 0.444 385 L N -0.104 121.118 121.223 -0.002 0.000 2.353 385 L HA -0.094 4.455 4.340 0.348 0.000 0.220 385 L C 2.165 179.040 176.870 0.009 0.000 1.133 385 L CA 2.285 57.130 54.840 0.008 0.000 0.798 385 L CB -0.499 41.566 42.059 0.011 0.000 0.922 385 L HN 0.502 nan 8.230 nan 0.000 0.445 386 K N -1.135 119.267 120.400 0.003 0.000 2.097 386 K HA -0.173 4.355 4.320 0.348 0.000 0.205 386 K C 1.949 178.554 176.600 0.009 0.000 1.050 386 K CA 1.392 57.682 56.287 0.005 0.000 0.938 386 K CB 0.032 32.532 32.500 0.000 0.000 0.718 386 K HN 0.525 nan 8.250 nan 0.000 0.442 387 Q N 0.202 120.006 119.800 0.008 0.000 2.020 387 Q HA -0.121 4.427 4.340 0.348 0.000 0.198 387 Q C 2.179 178.198 176.000 0.032 0.000 0.974 387 Q CA 1.782 57.593 55.803 0.013 0.000 0.829 387 Q CB -0.153 28.587 28.738 0.003 0.000 0.894 387 Q HN 0.326 nan 8.270 nan 0.000 0.433 388 V N -1.476 118.465 119.914 0.045 0.000 2.568 388 V HA -0.016 4.313 4.120 0.348 0.000 0.253 388 V C 0.844 176.971 176.094 0.055 0.000 1.072 388 V CA 1.251 63.608 62.300 0.095 0.000 1.084 388 V CB -0.765 31.133 31.823 0.125 0.000 0.676 388 V HN 0.217 nan 8.190 nan 0.000 0.469 389 A N -0.100 122.739 122.820 0.031 0.000 2.360 389 A HA 0.794 5.323 4.320 0.348 0.000 0.309 389 A C 0.756 178.348 177.584 0.013 0.000 1.311 389 A CA 0.141 52.187 52.037 0.015 0.000 0.805 389 A CB 1.080 20.090 19.000 0.018 0.000 1.144 389 A HN 0.448 nan 8.150 nan 0.000 0.486 390 G N 0.646 109.450 108.800 0.007 0.000 2.729 390 G HA2 0.162 4.331 3.960 0.348 0.000 0.211 390 G HA3 0.162 4.331 3.960 0.348 0.000 0.211 390 G C 1.144 176.055 174.900 0.018 0.000 1.182 390 G CA 0.975 46.082 45.100 0.010 0.000 0.851 390 G HN 1.137 nan 8.290 nan 0.000 0.607 391 S N 0.452 116.163 115.700 0.018 0.000 2.582 391 S HA 0.230 4.908 4.470 0.348 0.000 0.234 391 S C 1.788 176.438 174.600 0.083 0.000 0.961 391 S CA -0.141 58.086 58.200 0.045 0.000 0.953 391 S CB 0.564 63.792 63.200 0.047 0.000 0.800 391 S HN 0.149 nan 8.310 nan 0.000 0.471 392 L N 2.366 123.624 121.223 0.058 0.000 2.013 392 L HA -0.013 4.536 4.340 0.348 0.000 0.212 392 L C 2.366 179.319 176.870 0.139 0.000 1.073 392 L CA 1.974 56.870 54.840 0.093 0.000 0.753 392 L CB -0.633 41.453 42.059 0.044 0.000 0.890 392 L HN 0.358 nan 8.230 nan 0.000 0.432 393 K N -0.797 119.656 120.400 0.087 0.000 2.097 393 K HA -0.163 4.365 4.320 0.348 0.000 0.206 393 K C 2.072 178.721 176.600 0.083 0.000 1.049 393 K CA 1.701 58.032 56.287 0.073 0.000 0.933 393 K CB -0.207 32.321 32.500 0.046 0.000 0.717 393 K HN 0.439 nan 8.250 nan 0.000 0.442 394 L N -0.114 121.165 121.223 0.094 0.000 2.141 394 L HA -0.135 4.413 4.340 0.348 0.000 0.209 394 L C 2.321 179.269 176.870 0.130 0.000 1.094 394 L CA 0.778 55.671 54.840 0.090 0.000 0.763 394 L CB -0.417 41.690 42.059 0.082 0.000 0.908 394 L HN 0.178 nan 8.230 nan 0.000 0.437 395 F N 0.656 120.616 119.950 0.016 0.000 2.163 395 F HA -0.135 4.600 4.527 0.347 0.000 0.297 395 F C 2.041 177.874 175.800 0.055 0.000 1.094 395 F CA 1.186 59.201 58.000 0.024 0.000 1.290 395 F CB -0.049 38.955 39.000 0.007 0.000 1.017 395 F HN -0.126 nan 8.300 nan 0.000 0.483 396 L N 0.179 121.445 121.223 0.072 0.000 2.275 396 L HA -0.070 4.479 4.340 0.348 0.000 0.215 396 L C 2.572 179.457 176.870 0.025 0.000 1.119 396 L CA 1.474 56.328 54.840 0.023 0.000 0.790 396 L CB -1.417 40.681 42.059 0.066 0.000 0.919 396 L HN 0.216 nan 8.230 nan 0.000 0.443 397 A N -1.137 121.685 122.820 0.003 0.000 1.897 397 A HA -0.188 4.341 4.320 0.348 0.000 0.215 397 A C 2.237 179.786 177.584 -0.059 0.000 1.181 397 A CA 1.122 53.150 52.037 -0.016 0.000 0.620 397 A CB -0.327 18.670 19.000 -0.005 0.000 0.821 397 A HN 0.480 nan 8.150 nan 0.000 0.443 398 Q N -1.882 117.858 119.800 -0.100 0.000 2.119 398 Q HA -0.188 4.360 4.340 0.348 0.000 0.201 398 Q C 1.961 177.856 176.000 -0.176 0.000 0.972 398 Q CA 1.631 57.347 55.803 -0.146 0.000 0.847 398 Q CB -0.372 28.263 28.738 -0.172 0.000 0.903 398 Q HN 0.830 nan 8.270 nan 0.000 0.433 399 Y N 1.745 121.836 120.300 -0.347 0.000 2.128 399 Y HA -0.225 4.533 4.550 0.347 0.000 0.284 399 Y C 1.977 177.792 175.900 -0.142 0.000 1.154 399 Y CA 1.666 59.596 58.100 -0.284 0.000 1.149 399 Y CB -0.041 38.240 38.460 -0.297 0.000 0.976 399 Y HN -0.108 nan 8.280 nan 0.000 0.505 400 R N 0.101 120.450 120.500 -0.251 0.000 2.148 400 R HA -0.152 4.397 4.340 0.348 0.000 0.227 400 R C 2.298 178.471 176.300 -0.212 0.000 1.103 400 R CA 1.369 57.301 56.100 -0.279 0.000 0.983 400 R CB -0.310 29.930 30.300 -0.100 0.000 0.874 400 R HN 0.533 nan 8.270 nan 0.000 0.451 401 E N 0.623 120.726 120.200 -0.163 0.000 2.072 401 E HA -0.129 4.429 4.350 0.348 0.000 0.190 401 E C 1.654 178.192 176.600 -0.103 0.000 0.982 401 E CA 1.067 57.396 56.400 -0.118 0.000 0.803 401 E CB 0.299 29.931 29.700 -0.112 0.000 0.755 401 E HN 0.109 nan 8.360 nan 0.000 0.453 402 V N 0.883 120.711 119.914 -0.144 0.000 2.649 402 V HA -0.077 4.251 4.120 0.348 0.000 0.248 402 V C 2.340 178.378 176.094 -0.092 0.000 1.054 402 V CA 1.332 63.589 62.300 -0.073 0.000 1.073 402 V CB -0.253 31.526 31.823 -0.073 0.000 0.699 402 V HN 0.368 nan 8.190 nan 0.000 0.463 403 A N 0.290 122.929 122.820 -0.302 0.000 1.969 403 A HA -0.022 4.507 4.320 0.348 0.000 0.218 403 A C 2.354 179.853 177.584 -0.142 0.000 1.169 403 A CA 1.860 53.701 52.037 -0.328 0.000 0.635 403 A CB -0.526 18.076 19.000 -0.665 0.000 0.810 403 A HN 0.536 nan 8.150 nan 0.000 0.445 404 A N -1.819 120.946 122.820 -0.093 0.000 1.970 404 A HA 0.123 4.651 4.320 0.348 0.000 0.216 404 A C 1.908 179.527 177.584 0.057 0.000 1.170 404 A CA 1.242 53.267 52.037 -0.019 0.000 0.645 404 A CB -0.520 18.471 19.000 -0.015 0.000 0.816 404 A HN 0.597 nan 8.150 nan 0.000 0.447 405 F N 0.469 120.378 119.950 -0.067 0.000 2.512 405 F HA 0.258 4.993 4.527 0.347 0.000 0.296 405 F C 2.137 177.948 175.800 0.018 0.000 1.110 405 F CA 0.716 58.696 58.000 -0.034 0.000 1.446 405 F CB 0.035 39.001 39.000 -0.057 0.000 1.092 405 F HN 0.199 nan 8.300 nan 0.000 0.554 406 A N -0.378 122.456 122.820 0.024 0.000 2.238 406 A HA -0.003 4.526 4.320 0.348 0.000 0.208 406 A C 1.901 179.461 177.584 -0.040 0.000 1.177 406 A CA 0.289 52.312 52.037 -0.023 0.000 0.804 406 A CB -0.453 18.557 19.000 0.017 0.000 0.823 406 A HN 0.364 nan 8.150 nan 0.000 0.482 407 Q N -1.117 118.661 119.800 -0.036 0.000 2.167 407 Q HA -0.151 4.398 4.340 0.348 0.000 0.202 407 Q C 1.624 177.614 176.000 -0.017 0.000 0.970 407 Q CA 1.015 56.803 55.803 -0.025 0.000 0.855 407 Q CB -0.589 28.142 28.738 -0.011 0.000 0.911 407 Q HN 0.743 nan 8.270 nan 0.000 0.438 408 F N 1.142 120.967 119.950 -0.208 0.000 2.192 408 F HA -0.126 4.610 4.527 0.348 0.000 0.301 408 F C 1.307 177.014 175.800 -0.154 0.000 1.079 408 F CA 1.859 59.730 58.000 -0.216 0.000 1.303 408 F CB -0.186 38.595 39.000 -0.365 0.000 1.024 408 F HN 0.287 nan 8.300 nan 0.000 0.494 409 G N 0.303 108.977 108.800 -0.209 0.000 2.142 409 G HA2 -0.209 3.959 3.960 0.348 0.000 0.225 409 G HA3 -0.209 3.959 3.960 0.348 0.000 0.225 409 G C 0.258 175.002 174.900 -0.260 0.000 1.015 409 G CA 0.373 45.321 45.100 -0.253 0.000 0.716 409 G HN 0.695 nan 8.290 nan 0.000 0.508 410 S N 0.063 115.685 115.700 -0.130 0.000 2.565 410 S HA 0.554 5.232 4.470 0.348 0.000 0.290 410 S C 0.504 175.111 174.600 0.011 0.000 1.150 410 S CA 0.230 58.422 58.200 -0.013 0.000 1.058 410 S CB 0.763 64.107 63.200 0.240 0.000 1.032 410 S HN 0.703 nan 8.310 nan 0.000 0.510 411 D N 2.427 122.838 120.400 0.018 0.000 2.419 411 D HA 0.213 5.061 4.640 0.348 0.000 0.236 411 D C -0.415 175.918 176.300 0.054 0.000 1.165 411 D CA 0.080 54.096 54.000 0.026 0.000 0.882 411 D CB 0.194 41.008 40.800 0.023 0.000 1.201 411 D HN 0.379 nan 8.370 nan 0.000 0.443 412 L N 1.165 122.420 121.223 0.052 0.000 2.346 412 L HA 0.329 4.877 4.340 0.348 0.000 0.274 412 L C 0.620 177.525 176.870 0.058 0.000 1.007 412 L CA -1.240 53.644 54.840 0.072 0.000 0.818 412 L CB 1.537 43.640 42.059 0.074 0.000 1.284 412 L HN 0.606 nan 8.230 nan 0.000 0.424 413 D N 2.009 122.446 120.400 0.062 0.000 2.356 413 D HA 0.059 4.907 4.640 0.348 0.000 0.258 413 D C 0.954 177.278 176.300 0.040 0.000 1.279 413 D CA -0.102 53.925 54.000 0.046 0.000 1.016 413 D CB 0.973 41.799 40.800 0.043 0.000 1.107 413 D HN 0.528 nan 8.370 nan 0.000 0.544 414 A N 0.029 122.869 122.820 0.032 0.000 1.930 414 A HA -0.121 4.407 4.320 0.348 0.000 0.217 414 A C 2.390 179.995 177.584 0.035 0.000 1.175 414 A CA 1.765 53.820 52.037 0.029 0.000 0.627 414 A CB -0.729 18.283 19.000 0.020 0.000 0.815 414 A HN 0.519 nan 8.150 nan 0.000 0.443 415 S N -0.144 115.577 115.700 0.035 0.000 2.338 415 S HA -0.147 4.532 4.470 0.348 0.000 0.218 415 S C 2.270 176.900 174.600 0.050 0.000 1.032 415 S CA 2.000 60.224 58.200 0.040 0.000 0.999 415 S CB -0.782 62.436 63.200 0.030 0.000 0.905 415 S HN 0.881 nan 8.310 nan 0.000 0.439 416 T N 0.329 114.912 114.554 0.048 0.000 2.962 416 T HA 0.009 4.568 4.350 0.348 0.000 0.270 416 T C 1.539 176.278 174.700 0.065 0.000 1.088 416 T CA 1.235 63.368 62.100 0.055 0.000 1.127 416 T CB -0.154 68.760 68.868 0.076 0.000 0.883 416 T HN 0.359 nan 8.240 nan 0.000 0.493 417 K N 0.154 120.591 120.400 0.062 0.000 2.242 417 K HA 0.038 4.566 4.320 0.348 0.000 0.200 417 K C 2.503 179.143 176.600 0.067 0.000 1.050 417 K CA 0.452 56.776 56.287 0.062 0.000 0.981 417 K CB -0.052 32.477 32.500 0.049 0.000 0.795 417 K HN 0.248 nan 8.250 nan 0.000 0.477 418 Q N 0.940 120.779 119.800 0.065 0.000 2.020 418 Q HA -0.149 4.400 4.340 0.348 0.000 0.202 418 Q C 1.884 177.954 176.000 0.118 0.000 0.982 418 Q CA 2.941 58.787 55.803 0.071 0.000 0.838 418 Q CB -0.741 28.034 28.738 0.061 0.000 0.899 418 Q HN 0.442 nan 8.270 nan 0.000 0.423 419 T N -1.225 113.417 114.554 0.146 0.000 2.833 419 T HA -0.145 4.414 4.350 0.348 0.000 0.269 419 T C 1.734 176.521 174.700 0.145 0.000 1.054 419 T CA 1.195 63.422 62.100 0.212 0.000 1.135 419 T CB -0.444 68.501 68.868 0.128 0.000 0.869 419 T HN 0.251 nan 8.240 nan 0.000 0.466 420 L N 1.203 122.505 121.223 0.131 0.000 2.093 420 L HA 0.109 4.658 4.340 0.348 0.000 0.208 420 L C 2.572 179.544 176.870 0.170 0.000 1.085 420 L CA 1.209 56.162 54.840 0.189 0.000 0.755 420 L CB -0.633 41.499 42.059 0.123 0.000 0.904 420 L HN 0.187 nan 8.230 nan 0.000 0.435 421 V N -0.342 119.635 119.914 0.105 0.000 2.307 421 V HA -0.243 4.085 4.120 0.348 0.000 0.245 421 V C 2.736 178.850 176.094 0.033 0.000 1.045 421 V CA 2.097 64.433 62.300 0.060 0.000 1.024 421 V CB -0.669 31.177 31.823 0.038 0.000 0.651 421 V HN 0.473 nan 8.190 nan 0.000 0.449 422 R N 0.212 120.758 120.500 0.077 0.000 2.073 422 R HA -0.063 4.485 4.340 0.348 0.000 0.229 422 R C 2.371 178.698 176.300 0.044 0.000 1.120 422 R CA 1.423 57.573 56.100 0.083 0.000 0.967 422 R CB -0.734 29.672 30.300 0.177 0.000 0.862 422 R HN 0.521 nan 8.270 nan 0.000 0.436 423 G N 0.277 109.081 108.800 0.007 0.000 2.462 423 G HA2 -0.304 3.864 3.960 0.348 0.000 0.220 423 G HA3 -0.304 3.864 3.960 0.348 0.000 0.220 423 G C 1.230 175.510 174.900 -1.033 0.000 1.121 423 G CA 0.807 45.639 45.100 -0.447 0.000 0.758 423 G HN 0.480 nan 8.290 nan 0.000 0.559 424 E N -0.173 119.667 120.200 -0.600 0.000 2.216 424 E HA 0.015 4.574 4.350 0.348 0.000 0.192 424 E C 2.571 179.026 176.600 -0.242 0.000 0.988 424 E CA 0.179 56.336 56.400 -0.406 0.000 0.834 424 E CB 0.053 29.748 29.700 -0.008 0.000 0.772 424 E HN 0.376 nan 8.360 nan 0.000 0.479 425 R N -0.288 120.101 120.500 -0.185 0.000 2.140 425 R HA 0.122 4.670 4.340 0.348 0.000 0.213 425 R C 2.403 178.622 176.300 -0.134 0.000 1.059 425 R CA 0.287 56.308 56.100 -0.132 0.000 1.000 425 R CB 0.076 30.307 30.300 -0.115 0.000 0.910 425 R HN 0.175 nan 8.270 nan 0.000 0.455 426 L N 0.139 121.277 121.223 -0.141 0.000 2.083 426 L HA -0.165 4.383 4.340 0.348 0.000 0.209 426 L C 1.957 178.761 176.870 -0.109 0.000 1.083 426 L CA 1.392 56.172 54.840 -0.100 0.000 0.752 426 L CB -0.620 41.416 42.059 -0.039 0.000 0.899 426 L HN 0.220 nan 8.230 nan 0.000 0.433 427 T N -1.489 112.960 114.554 -0.176 0.000 2.915 427 T HA -0.230 4.329 4.350 0.348 0.000 0.269 427 T C 1.811 176.464 174.700 -0.079 0.000 1.071 427 T CA 1.207 63.232 62.100 -0.124 0.000 1.132 427 T CB -0.087 68.692 68.868 -0.149 0.000 0.878 427 T HN 0.212 nan 8.240 nan 0.000 0.479 428 Q N 0.406 120.154 119.800 -0.086 0.000 2.331 428 Q HA 0.156 4.705 4.340 0.348 0.000 0.203 428 Q C 1.924 177.895 176.000 -0.048 0.000 0.944 428 Q CA 0.584 56.351 55.803 -0.059 0.000 0.892 428 Q CB -0.384 28.319 28.738 -0.058 0.000 0.983 428 Q HN 0.392 nan 8.270 nan 0.000 0.482 429 L N -0.440 120.749 121.223 -0.056 0.000 2.240 429 L HA 0.085 4.633 4.340 0.348 0.000 0.211 429 L C 1.526 178.383 176.870 -0.021 0.000 1.106 429 L CA 1.389 56.206 54.840 -0.038 0.000 0.793 429 L CB -0.212 41.815 42.059 -0.054 0.000 0.927 429 L HN 0.322 nan 8.230 nan 0.000 0.446 430 L N -0.633 120.573 121.223 -0.029 0.000 2.291 430 L HA -0.085 4.463 4.340 0.348 0.000 0.214 430 L C 0.859 177.716 176.870 -0.023 0.000 1.120 430 L CA 0.318 55.147 54.840 -0.019 0.000 0.799 430 L CB -0.489 41.559 42.059 -0.019 0.000 0.925 430 L HN 0.113 nan 8.230 nan 0.000 0.446 431 K N 1.786 122.167 120.400 -0.032 0.000 2.412 431 K HA 0.071 4.600 4.320 0.348 0.000 0.284 431 K C -0.075 176.506 176.600 -0.031 0.000 1.046 431 K CA 0.361 56.622 56.287 -0.043 0.000 0.999 431 K CB 0.445 32.914 32.500 -0.052 0.000 0.941 431 K HN 0.088 nan 8.250 nan 0.000 0.474 432 Q N 2.975 122.752 119.800 -0.038 0.000 2.359 432 Q HA 0.196 4.745 4.340 0.348 0.000 0.274 432 Q C -1.032 174.946 176.000 -0.037 0.000 1.074 432 Q CA -0.902 54.886 55.803 -0.025 0.000 0.810 432 Q CB 1.459 30.187 28.738 -0.016 0.000 1.342 432 Q HN 0.505 nan 8.270 nan 0.000 0.427 433 N N 2.545 121.233 118.700 -0.019 0.000 2.508 433 N HA 0.021 4.969 4.740 0.348 0.000 0.264 433 N C -0.461 175.034 175.510 -0.025 0.000 1.216 433 N CA 0.039 53.080 53.050 -0.014 0.000 0.943 433 N CB 0.967 39.465 38.487 0.018 0.000 1.113 433 N HN 0.609 nan 8.380 nan 0.000 0.447 434 Q N 0.576 120.347 119.800 -0.047 0.000 2.474 434 Q HA -0.074 4.474 4.340 0.348 0.000 0.256 434 Q C -0.451 175.517 176.000 -0.052 0.000 1.048 434 Q CA 0.034 55.738 55.803 -0.165 0.000 0.922 434 Q CB 0.233 28.783 28.738 -0.315 0.000 1.288 434 Q HN 0.565 nan 8.270 nan 0.000 0.484 435 Y N -0.304 119.976 120.300 -0.033 0.000 4.409 435 Y HA -0.246 4.513 4.550 0.348 0.000 0.228 435 Y C -0.282 175.566 175.900 -0.087 0.000 1.108 435 Y CA 1.050 59.096 58.100 -0.090 0.000 1.955 435 Y CB -1.970 36.473 38.460 -0.028 0.000 1.615 435 Y HN 0.391 nan 8.280 nan 0.000 0.665 436 S N 0.588 116.310 115.700 0.036 0.000 2.235 436 S HA 0.263 4.941 4.470 0.348 0.000 0.152 436 S C -2.429 172.167 174.600 -0.005 0.000 1.649 436 S CA -0.895 57.318 58.200 0.021 0.000 1.277 436 S CB 1.344 64.564 63.200 0.033 0.000 1.299 436 S HN 0.055 nan 8.310 nan 0.000 0.388 437 P HA 0.204 nan 4.420 nan 0.000 0.271 437 P C -0.848 176.441 177.300 -0.019 0.000 1.216 437 P CA -0.200 62.889 63.100 -0.019 0.000 0.771 437 P CB 0.758 32.443 31.700 -0.025 0.000 0.864 438 L N 2.443 123.661 121.223 -0.009 0.000 2.313 438 L HA 0.534 5.083 4.340 0.348 0.000 0.283 438 L C 1.057 177.922 176.870 -0.007 0.000 1.013 438 L CA -1.057 53.779 54.840 -0.008 0.000 0.816 438 L CB 1.596 43.660 42.059 0.008 0.000 1.236 438 L HN 0.402 nan 8.230 nan 0.000 0.419 439 A N 2.348 125.150 122.820 -0.029 0.000 2.433 439 A HA 0.163 4.691 4.320 0.348 0.000 0.250 439 A C 1.274 178.871 177.584 0.021 0.000 1.113 439 A CA 0.272 52.294 52.037 -0.026 0.000 0.794 439 A CB 0.067 19.024 19.000 -0.071 0.000 1.067 439 A HN 0.840 nan 8.150 nan 0.000 0.510 440 T N 0.227 114.813 114.554 0.053 0.000 2.857 440 T HA -0.102 4.456 4.350 0.348 0.000 0.266 440 T C 1.521 176.240 174.700 0.031 0.000 1.048 440 T CA 1.710 63.845 62.100 0.057 0.000 1.139 440 T CB -0.333 68.586 68.868 0.085 0.000 0.874 440 T HN 0.875 nan 8.240 nan 0.000 0.455 441 E N 1.466 121.675 120.200 0.016 0.000 2.472 441 E HA -0.108 4.451 4.350 0.348 0.000 0.200 441 E C 1.403 178.003 176.600 -0.001 0.000 1.046 441 E CA 0.906 57.304 56.400 -0.002 0.000 0.871 441 E CB -0.167 29.521 29.700 -0.021 0.000 0.806 441 E HN 0.550 nan 8.360 nan 0.000 0.533 442 E N 0.190 120.396 120.200 0.010 0.000 2.465 442 E HA 0.034 4.592 4.350 0.348 0.000 0.209 442 E C 1.730 178.366 176.600 0.061 0.000 0.951 442 E CA -0.014 56.402 56.400 0.025 0.000 0.997 442 E CB 0.392 30.096 29.700 0.007 0.000 1.025 442 E HN 0.299 nan 8.360 nan 0.000 0.500 443 Q N 0.309 120.140 119.800 0.050 0.000 2.165 443 Q HA -0.018 4.530 4.340 0.348 0.000 0.197 443 Q C 2.293 178.334 176.000 0.068 0.000 0.952 443 Q CA 0.779 56.616 55.803 0.056 0.000 0.848 443 Q CB 0.293 29.056 28.738 0.041 0.000 0.931 443 Q HN 0.062 nan 8.270 nan 0.000 0.470 444 V N 1.911 121.860 119.914 0.058 0.000 2.255 444 V HA -0.220 4.109 4.120 0.348 0.000 0.247 444 V C -0.811 175.347 176.094 0.106 0.000 1.051 444 V CA 2.150 64.483 62.300 0.056 0.000 1.018 444 V CB -1.578 30.254 31.823 0.015 0.000 0.641 444 V HN 0.242 nan 8.190 nan 0.000 0.445 445 P HA -0.147 nan 4.420 nan 0.000 0.215 445 P C 1.928 179.386 177.300 0.264 0.000 1.157 445 P CA 1.527 64.793 63.100 0.276 0.000 0.868 445 P CB -0.091 31.841 31.700 0.386 0.000 0.788 446 L N -1.314 120.034 121.223 0.208 0.000 1.994 446 L HA -0.165 4.383 4.340 0.348 0.000 0.208 446 L C 2.366 179.257 176.870 0.035 0.000 1.071 446 L CA 1.322 56.227 54.840 0.109 0.000 0.745 446 L CB -1.122 41.007 42.059 0.117 0.000 0.892 446 L HN -0.073 nan 8.230 nan 0.000 0.431 447 I N -0.832 119.773 120.570 0.058 0.000 2.264 447 I HA -0.319 4.059 4.170 0.348 0.000 0.248 447 I C 2.546 178.683 176.117 0.033 0.000 1.111 447 I CA 1.598 62.916 61.300 0.030 0.000 1.382 447 I CB -1.180 36.846 38.000 0.043 0.000 1.060 447 I HN 0.266 nan 8.210 nan 0.000 0.418 448 Y N 2.283 122.547 120.300 -0.061 0.000 2.097 448 Y HA -0.225 4.534 4.550 0.347 0.000 0.282 448 Y C 2.577 178.378 175.900 -0.165 0.000 1.152 448 Y CA 1.835 59.880 58.100 -0.092 0.000 1.136 448 Y CB -0.538 37.881 38.460 -0.069 0.000 0.975 448 Y HN 0.125 nan 8.280 nan 0.000 0.498 449 A N -0.492 122.167 122.820 -0.267 0.000 2.172 449 A HA 0.036 4.565 4.320 0.348 0.000 0.216 449 A C 2.303 179.709 177.584 -0.296 0.000 1.154 449 A CA 1.372 53.141 52.037 -0.447 0.000 0.701 449 A CB -1.378 17.386 19.000 -0.394 0.000 0.789 449 A HN 0.612 nan 8.150 nan 0.000 0.465 450 G N -0.352 108.318 108.800 -0.216 0.000 2.524 450 G HA2 0.053 4.221 3.960 0.348 0.000 0.210 450 G HA3 0.053 4.221 3.960 0.348 0.000 0.210 450 G C 1.538 176.333 174.900 -0.174 0.000 1.187 450 G CA 1.080 46.079 45.100 -0.168 0.000 0.825 450 G HN 0.800 nan 8.290 nan 0.000 0.558 451 V N 0.078 119.882 119.914 -0.182 0.000 2.594 451 V HA -0.168 4.160 4.120 0.348 0.000 0.253 451 V C 2.185 178.127 176.094 -0.254 0.000 1.069 451 V CA 2.082 64.244 62.300 -0.230 0.000 1.082 451 V CB -0.648 31.076 31.823 -0.165 0.000 0.680 451 V HN 0.197 nan 8.190 nan 0.000 0.469 452 N N 1.682 120.241 118.700 -0.235 0.000 2.132 452 N HA 0.145 5.094 4.740 0.348 0.000 0.187 452 N C 1.593 177.052 175.510 -0.085 0.000 1.038 452 N CA 2.041 54.992 53.050 -0.165 0.000 0.846 452 N CB -0.141 38.215 38.487 -0.218 0.000 1.012 452 N HN 0.787 nan 8.380 nan 0.000 0.429 453 G N -0.505 108.296 108.800 0.001 0.000 2.332 453 G HA2 -0.097 4.072 3.960 0.348 0.000 0.216 453 G HA3 -0.097 4.072 3.960 0.348 0.000 0.216 453 G C -0.295 174.554 174.900 -0.085 0.000 1.041 453 G CA -0.366 44.694 45.100 -0.067 0.000 0.836 453 G HN 0.311 nan 8.290 nan 0.000 0.530 454 H N -0.040 118.913 119.070 -0.196 0.000 2.548 454 H HA 0.383 5.147 4.556 0.347 0.000 0.265 454 H C 2.410 177.613 175.328 -0.207 0.000 0.969 454 H CA 0.608 56.555 56.048 -0.169 0.000 1.155 454 H CB 0.267 29.934 29.762 -0.159 0.000 1.394 454 H HN 0.433 nan 8.280 nan 0.000 0.570 455 L N -0.232 120.909 121.223 -0.137 0.000 2.554 455 L HA 0.023 4.571 4.340 0.348 0.000 0.225 455 L C 1.320 178.095 176.870 -0.159 0.000 1.104 455 L CA 0.127 54.819 54.840 -0.247 0.000 0.866 455 L CB 0.229 42.099 42.059 -0.315 0.000 1.047 455 L HN 0.143 nan 8.230 nan 0.000 0.468 456 D N 1.226 121.560 120.400 -0.110 0.000 2.133 456 D HA -0.160 4.689 4.640 0.348 0.000 0.195 456 D C 1.819 178.079 176.300 -0.066 0.000 0.997 456 D CA 1.687 55.642 54.000 -0.075 0.000 0.840 456 D CB -0.049 40.714 40.800 -0.061 0.000 0.947 456 D HN 0.364 nan 8.370 nan 0.000 0.452 457 G N 0.042 108.798 108.800 -0.073 0.000 3.379 457 G HA2 0.325 4.493 3.960 0.348 0.000 0.253 457 G HA3 0.325 4.493 3.960 0.348 0.000 0.253 457 G C 0.406 175.280 174.900 -0.044 0.000 1.262 457 G CA -0.150 44.919 45.100 -0.051 0.000 0.959 457 G HN 0.150 nan 8.290 nan 0.000 0.524 458 I N -0.714 119.816 120.570 -0.066 0.000 2.730 458 I HA 0.291 4.670 4.170 0.348 0.000 0.298 458 I C -0.070 176.017 176.117 -0.049 0.000 1.089 458 I CA -1.012 60.253 61.300 -0.059 0.000 1.041 458 I CB 2.669 40.597 38.000 -0.121 0.000 1.235 458 I HN -0.001 nan 8.210 nan 0.000 0.423 459 E N 2.954 123.140 120.200 -0.022 0.000 2.404 459 E HA 0.017 4.575 4.350 0.348 0.000 0.261 459 E C 0.562 177.147 176.600 -0.025 0.000 1.074 459 E CA -0.353 56.039 56.400 -0.014 0.000 0.917 459 E CB 1.090 30.792 29.700 0.004 0.000 0.965 459 E HN 0.545 nan 8.360 nan 0.000 0.433 460 L N 3.473 124.684 121.223 -0.019 0.000 2.046 460 L HA -0.173 4.376 4.340 0.348 0.000 0.208 460 L C 2.105 178.967 176.870 -0.013 0.000 1.077 460 L CA 2.459 57.286 54.840 -0.023 0.000 0.747 460 L CB -0.590 41.462 42.059 -0.012 0.000 0.896 460 L HN 0.668 nan 8.230 nan 0.000 0.432 461 S N -1.551 114.149 115.700 -0.001 0.000 2.603 461 S HA 0.003 4.682 4.470 0.348 0.000 0.229 461 S C 1.762 176.369 174.600 0.012 0.000 0.972 461 S CA 0.016 58.220 58.200 0.007 0.000 0.935 461 S CB -0.432 62.776 63.200 0.012 0.000 0.769 461 S HN 0.421 nan 8.310 nan 0.000 0.536 462 R N 0.529 121.035 120.500 0.009 0.000 2.206 462 R HA 0.335 4.884 4.340 0.348 0.000 0.198 462 R C 1.794 178.131 176.300 0.063 0.000 0.986 462 R CA 0.144 56.260 56.100 0.026 0.000 1.029 462 R CB -0.574 29.737 30.300 0.017 0.000 0.966 462 R HN 0.388 nan 8.270 nan 0.000 0.487 463 I N 0.902 121.481 120.570 0.015 0.000 2.315 463 I HA -0.189 4.190 4.170 0.348 0.000 0.251 463 I C 2.247 178.418 176.117 0.090 0.000 1.125 463 I CA 1.537 62.842 61.300 0.008 0.000 1.392 463 I CB -1.623 36.343 38.000 -0.057 0.000 1.065 463 I HN 0.160 nan 8.210 nan 0.000 0.424 464 G N 2.030 110.867 108.800 0.061 0.000 2.639 464 G HA2 -0.281 3.887 3.960 0.348 0.000 0.216 464 G HA3 -0.281 3.887 3.960 0.348 0.000 0.216 464 G C 1.406 176.360 174.900 0.091 0.000 1.267 464 G CA 1.020 46.156 45.100 0.061 0.000 0.801 464 G HN 0.631 nan 8.290 nan 0.000 0.592 465 E N -0.481 119.768 120.200 0.081 0.000 2.268 465 E HA -0.057 4.502 4.350 0.348 0.000 0.195 465 E C 2.136 178.801 176.600 0.109 0.000 0.995 465 E CA 0.592 57.033 56.400 0.068 0.000 0.836 465 E CB -0.396 29.317 29.700 0.023 0.000 0.763 465 E HN 0.414 nan 8.360 nan 0.000 0.491 466 F N 2.601 122.566 119.950 0.024 0.000 2.126 466 F HA -0.200 4.535 4.527 0.347 0.000 0.299 466 F C 2.300 178.174 175.800 0.123 0.000 1.096 466 F CA 2.115 60.164 58.000 0.081 0.000 1.255 466 F CB -0.104 38.923 39.000 0.045 0.000 0.997 466 F HN 0.029 nan 8.300 nan 0.000 0.479 467 E N 0.061 120.478 120.200 0.363 0.000 2.023 467 E HA -0.268 4.291 4.350 0.348 0.000 0.196 467 E C 2.306 178.988 176.600 0.136 0.000 1.003 467 E CA 2.133 58.695 56.400 0.270 0.000 0.809 467 E CB -0.311 29.496 29.700 0.180 0.000 0.755 467 E HN 0.530 nan 8.360 nan 0.000 0.449 468 S N -0.029 115.719 115.700 0.080 0.000 2.368 468 S HA -0.125 4.554 4.470 0.348 0.000 0.225 468 S C 2.255 176.851 174.600 -0.008 0.000 1.030 468 S CA 1.407 59.625 58.200 0.031 0.000 0.999 468 S CB -0.320 62.896 63.200 0.028 0.000 0.844 468 S HN 0.152 nan 8.310 nan 0.000 0.459 469 S N 1.402 117.092 115.700 -0.017 0.000 2.368 469 S HA 0.041 4.720 4.470 0.348 0.000 0.224 469 S C 1.411 175.910 174.600 -0.168 0.000 1.029 469 S CA 1.198 59.382 58.200 -0.027 0.000 0.988 469 S CB -0.636 62.582 63.200 0.029 0.000 0.838 469 S HN 0.572 nan 8.310 nan 0.000 0.462 470 F N 2.502 122.129 119.950 -0.539 0.000 2.134 470 F HA -0.033 4.702 4.527 0.347 0.000 0.299 470 F C 1.767 177.332 175.800 -0.392 0.000 1.097 470 F CA 1.060 58.521 58.000 -0.898 0.000 1.264 470 F CB -0.465 38.081 39.000 -0.757 0.000 1.001 470 F HN 0.091 nan 8.300 nan 0.000 0.479 471 L N -0.724 120.344 121.223 -0.258 0.000 2.017 471 L HA -0.246 4.303 4.340 0.348 0.000 0.208 471 L C 2.527 179.250 176.870 -0.244 0.000 1.073 471 L CA 1.630 56.319 54.840 -0.251 0.000 0.745 471 L CB -1.129 40.880 42.059 -0.084 0.000 0.894 471 L HN 0.032 nan 8.230 nan 0.000 0.432 472 S N -1.177 114.430 115.700 -0.155 0.000 2.419 472 S HA -0.228 4.451 4.470 0.348 0.000 0.235 472 S C 1.790 176.325 174.600 -0.109 0.000 1.019 472 S CA 1.150 59.288 58.200 -0.103 0.000 0.982 472 S CB -0.403 62.773 63.200 -0.041 0.000 0.789 472 S HN 0.397 nan 8.310 nan 0.000 0.490 473 Y N 2.254 122.360 120.300 -0.323 0.000 2.163 473 Y HA -0.029 4.729 4.550 0.347 0.000 0.288 473 Y C 1.779 177.495 175.900 -0.308 0.000 1.136 473 Y CA 1.175 59.089 58.100 -0.309 0.000 1.147 473 Y CB -0.488 37.666 38.460 -0.509 0.000 0.987 473 Y HN 0.147 nan 8.280 nan 0.000 0.509 474 L N 0.019 120.927 121.223 -0.524 0.000 2.056 474 L HA -0.188 4.361 4.340 0.348 0.000 0.207 474 L C 2.279 178.954 176.870 -0.325 0.000 1.078 474 L CA 1.513 56.066 54.840 -0.478 0.000 0.749 474 L CB -0.557 41.228 42.059 -0.456 0.000 0.901 474 L HN 0.077 nan 8.230 nan 0.000 0.433 475 K N -0.446 119.800 120.400 -0.257 0.000 2.360 475 K HA -0.073 4.456 4.320 0.348 0.000 0.201 475 K C 2.060 178.558 176.600 -0.171 0.000 1.046 475 K CA 1.075 57.255 56.287 -0.179 0.000 0.945 475 K CB 0.014 32.432 32.500 -0.137 0.000 0.750 475 K HN 0.209 nan 8.250 nan 0.000 0.464 476 S N 0.108 115.680 115.700 -0.213 0.000 2.452 476 S HA 0.082 4.760 4.470 0.348 0.000 0.225 476 S C 1.324 175.776 174.600 -0.247 0.000 1.057 476 S CA 0.222 58.310 58.200 -0.187 0.000 0.949 476 S CB 0.126 63.240 63.200 -0.144 0.000 0.836 476 S HN 0.279 nan 8.310 nan 0.000 0.518 477 N N 0.781 119.236 118.700 -0.408 0.000 2.531 477 N HA 0.069 5.017 4.740 0.348 0.000 0.223 477 N C -0.012 175.205 175.510 -0.488 0.000 1.023 477 N CA 0.621 53.360 53.050 -0.519 0.000 1.124 477 N CB -0.613 37.381 38.487 -0.822 0.000 1.427 477 N HN 0.281 nan 8.380 nan 0.000 0.558 478 H N 1.626 120.465 119.070 -0.385 0.000 2.970 478 H HA 0.103 4.867 4.556 0.348 0.000 0.226 478 H C 0.417 175.610 175.328 -0.224 0.000 1.909 478 H CA 0.099 55.992 56.048 -0.259 0.000 1.388 478 H CB -0.583 29.030 29.762 -0.247 0.000 1.773 478 H HN 0.355 nan 8.280 nan 0.000 0.559 479 N N 0.839 119.473 118.700 -0.111 0.000 2.405 479 N HA -0.093 4.855 4.740 0.348 0.000 0.175 479 N C 1.520 176.990 175.510 -0.066 0.000 1.051 479 N CA 0.267 53.255 53.050 -0.103 0.000 0.899 479 N CB 0.518 38.937 38.487 -0.112 0.000 1.000 479 N HN 0.210 nan 8.380 nan 0.000 0.451 480 E N 0.514 120.688 120.200 -0.045 0.000 2.085 480 E HA -0.178 4.380 4.350 0.348 0.000 0.194 480 E C 1.776 178.358 176.600 -0.031 0.000 0.994 480 E CA 0.622 57.003 56.400 -0.031 0.000 0.801 480 E CB -0.491 29.199 29.700 -0.016 0.000 0.743 480 E HN 0.362 nan 8.360 nan 0.000 0.453 481 L N 1.060 122.266 121.223 -0.030 0.000 2.017 481 L HA -0.146 4.402 4.340 0.348 0.000 0.208 481 L C 2.336 179.176 176.870 -0.051 0.000 1.073 481 L CA 1.427 56.240 54.840 -0.044 0.000 0.745 481 L CB -0.663 41.361 42.059 -0.058 0.000 0.894 481 L HN 0.067 nan 8.230 nan 0.000 0.432 482 L N -1.128 120.060 121.223 -0.058 0.000 2.129 482 L HA -0.253 4.295 4.340 0.348 0.000 0.212 482 L C 2.234 179.077 176.870 -0.044 0.000 1.087 482 L CA 1.798 56.603 54.840 -0.057 0.000 0.757 482 L CB -1.199 40.815 42.059 -0.075 0.000 0.896 482 L HN 0.319 nan 8.230 nan 0.000 0.434 483 T N -1.350 113.179 114.554 -0.041 0.000 2.951 483 T HA -0.083 4.475 4.350 0.348 0.000 0.268 483 T C 1.755 176.441 174.700 -0.023 0.000 1.073 483 T CA 0.806 62.887 62.100 -0.031 0.000 1.134 483 T CB -0.002 68.847 68.868 -0.032 0.000 0.884 483 T HN 0.295 nan 8.240 nan 0.000 0.479 484 E N 1.162 121.346 120.200 -0.027 0.000 2.051 484 E HA 0.098 4.656 4.350 0.348 0.000 0.189 484 E C 2.319 178.905 176.600 -0.023 0.000 0.979 484 E CA 0.544 56.929 56.400 -0.024 0.000 0.803 484 E CB -0.349 29.334 29.700 -0.029 0.000 0.761 484 E HN 0.479 nan 8.360 nan 0.000 0.451 485 I N 1.227 121.779 120.570 -0.030 0.000 2.208 485 I HA -0.294 4.084 4.170 0.348 0.000 0.245 485 I C 2.835 178.947 176.117 -0.008 0.000 1.097 485 I CA 1.212 62.496 61.300 -0.026 0.000 1.363 485 I CB -0.367 37.612 38.000 -0.035 0.000 1.051 485 I HN 0.058 nan 8.210 nan 0.000 0.413 486 R N 1.333 121.831 120.500 -0.003 0.000 2.070 486 R HA -0.197 4.352 4.340 0.348 0.000 0.233 486 R C 2.129 178.446 176.300 0.029 0.000 1.137 486 R CA 1.931 58.042 56.100 0.018 0.000 0.945 486 R CB -0.124 30.181 30.300 0.009 0.000 0.845 486 R HN 0.413 nan 8.270 nan 0.000 0.430 487 E N 0.050 120.258 120.200 0.015 0.000 2.016 487 E HA -0.134 4.424 4.350 0.348 0.000 0.190 487 E C 2.164 178.769 176.600 0.009 0.000 0.985 487 E CA 0.911 57.320 56.400 0.016 0.000 0.802 487 E CB 0.033 29.737 29.700 0.007 0.000 0.762 487 E HN 0.165 nan 8.360 nan 0.000 0.448 488 K N -0.395 120.005 120.400 -0.001 0.000 2.032 488 K HA -0.120 4.409 4.320 0.348 0.000 0.209 488 K C 1.746 178.343 176.600 -0.006 0.000 1.048 488 K CA 1.304 57.587 56.287 -0.006 0.000 0.927 488 K CB -0.660 31.832 32.500 -0.013 0.000 0.712 488 K HN 0.421 nan 8.250 nan 0.000 0.441 489 G N 1.286 110.083 108.800 -0.005 0.000 2.162 489 G HA2 -0.279 3.889 3.960 0.348 0.000 0.260 489 G HA3 -0.279 3.889 3.960 0.348 0.000 0.260 489 G C -0.036 174.856 174.900 -0.014 0.000 0.976 489 G CA 0.826 45.922 45.100 -0.006 0.000 0.655 489 G HN 0.425 nan 8.290 nan 0.000 0.533 490 E N -1.420 118.769 120.200 -0.018 0.000 2.450 490 E HA 0.732 5.291 4.350 0.348 0.000 0.272 490 E C -0.645 175.936 176.600 -0.033 0.000 0.967 490 E CA -1.084 55.302 56.400 -0.023 0.000 0.818 490 E CB 1.538 31.227 29.700 -0.018 0.000 1.401 490 E HN 0.127 nan 8.360 nan 0.000 0.450 491 L N 1.455 122.656 121.223 -0.037 0.000 2.319 491 L HA 0.422 4.970 4.340 0.348 0.000 0.281 491 L C -0.410 176.436 176.870 -0.039 0.000 1.005 491 L CA -0.538 54.271 54.840 -0.052 0.000 0.828 491 L CB 1.692 43.706 42.059 -0.075 0.000 1.227 491 L HN 0.384 nan 8.230 nan 0.000 0.415 492 S N 1.306 116.983 115.700 -0.037 0.000 2.681 492 S HA 0.281 4.960 4.470 0.348 0.000 0.270 492 S C 1.040 175.624 174.600 -0.027 0.000 1.209 492 S CA -0.827 57.357 58.200 -0.027 0.000 0.988 492 S CB 1.523 64.710 63.200 -0.022 0.000 1.006 492 S HN 0.543 nan 8.310 nan 0.000 0.558 493 K N 0.881 121.271 120.400 -0.017 0.000 2.147 493 K HA -0.143 4.385 4.320 0.348 0.000 0.205 493 K C 1.536 178.128 176.600 -0.014 0.000 1.049 493 K CA 1.391 57.671 56.287 -0.012 0.000 0.936 493 K CB -0.104 32.393 32.500 -0.005 0.000 0.722 493 K HN 0.427 nan 8.250 nan 0.000 0.446 494 E N 0.990 121.180 120.200 -0.016 0.000 2.076 494 E HA -0.049 4.510 4.350 0.348 0.000 0.190 494 E C 1.901 178.483 176.600 -0.029 0.000 0.979 494 E CA 0.714 57.104 56.400 -0.016 0.000 0.807 494 E CB -0.158 29.534 29.700 -0.013 0.000 0.761 494 E HN 0.156 nan 8.360 nan 0.000 0.454 495 L N 0.295 121.494 121.223 -0.040 0.000 2.131 495 L HA -0.148 4.400 4.340 0.348 0.000 0.210 495 L C 2.198 179.015 176.870 -0.088 0.000 1.092 495 L CA 0.817 55.620 54.840 -0.061 0.000 0.759 495 L CB -0.448 41.572 42.059 -0.064 0.000 0.903 495 L HN 0.156 nan 8.230 nan 0.000 0.435 496 L N -0.454 120.720 121.223 -0.081 0.000 2.056 496 L HA -0.162 4.387 4.340 0.348 0.000 0.207 496 L C 2.933 179.773 176.870 -0.050 0.000 1.078 496 L CA 1.028 55.809 54.840 -0.098 0.000 0.749 496 L CB -0.779 41.247 42.059 -0.054 0.000 0.901 496 L HN 0.231 nan 8.230 nan 0.000 0.433 497 A N -0.218 122.588 122.820 -0.023 0.000 1.851 497 A HA -0.218 4.310 4.320 0.348 0.000 0.216 497 A C 2.528 180.107 177.584 -0.009 0.000 1.195 497 A CA 2.295 54.332 52.037 0.001 0.000 0.622 497 A CB -0.786 18.216 19.000 0.003 0.000 0.831 497 A HN 0.362 nan 8.150 nan 0.000 0.444 498 S N -0.546 115.133 115.700 -0.034 0.000 2.368 498 S HA -0.148 4.531 4.470 0.348 0.000 0.225 498 S C 1.877 176.414 174.600 -0.105 0.000 1.030 498 S CA 1.468 59.631 58.200 -0.062 0.000 0.999 498 S CB -0.473 62.690 63.200 -0.061 0.000 0.844 498 S HN 0.502 nan 8.310 nan 0.000 0.459 499 L N 2.116 123.276 121.223 -0.105 0.000 2.083 499 L HA -0.007 4.542 4.340 0.348 0.000 0.209 499 L C 2.080 178.952 176.870 0.004 0.000 1.083 499 L CA 1.820 56.589 54.840 -0.118 0.000 0.752 499 L CB -0.577 41.334 42.059 -0.247 0.000 0.899 499 L HN 0.149 nan 8.230 nan 0.000 0.433 500 K N -0.996 119.434 120.400 0.051 0.000 2.002 500 K HA -0.143 4.385 4.320 0.348 0.000 0.209 500 K C 2.018 178.711 176.600 0.155 0.000 1.048 500 K CA 1.750 58.151 56.287 0.190 0.000 0.930 500 K CB -0.142 32.455 32.500 0.161 0.000 0.714 500 K HN 0.394 nan 8.250 nan 0.000 0.438 501 S N 0.442 116.191 115.700 0.082 0.000 2.402 501 S HA -0.084 4.595 4.470 0.348 0.000 0.229 501 S C 1.920 176.575 174.600 0.091 0.000 1.021 501 S CA 0.981 59.232 58.200 0.085 0.000 0.974 501 S CB -0.100 63.132 63.200 0.053 0.000 0.800 501 S HN 0.500 nan 8.310 nan 0.000 0.484 502 A N 1.338 124.143 122.820 -0.025 0.000 1.969 502 A HA -0.059 4.470 4.320 0.348 0.000 0.218 502 A C 2.269 180.060 177.584 0.344 0.000 1.169 502 A CA 1.754 53.755 52.037 -0.060 0.000 0.635 502 A CB -1.003 17.725 19.000 -0.453 0.000 0.810 502 A HN 0.462 nan 8.150 nan 0.000 0.445 503 T N -0.006 114.739 114.554 0.318 0.000 2.698 503 T HA -0.099 4.460 4.350 0.348 0.000 0.260 503 T C 1.769 176.681 174.700 0.354 0.000 1.044 503 T CA 1.481 63.800 62.100 0.365 0.000 1.149 503 T CB -0.275 68.685 68.868 0.154 0.000 0.864 503 T HN 0.631 nan 8.240 nan 0.000 0.419 504 E N 1.095 121.472 120.200 0.294 0.000 2.118 504 E HA -0.128 4.431 4.350 0.348 0.000 0.195 504 E C 2.438 179.173 176.600 0.224 0.000 0.992 504 E CA 1.150 57.707 56.400 0.262 0.000 0.804 504 E CB -0.205 29.617 29.700 0.204 0.000 0.741 504 E HN 0.304 nan 8.360 nan 0.000 0.458 505 S N 0.060 115.913 115.700 0.255 0.000 2.382 505 S HA -0.175 4.503 4.470 0.348 0.000 0.228 505 S C 1.670 176.397 174.600 0.211 0.000 1.027 505 S CA 0.918 59.267 58.200 0.248 0.000 0.991 505 S CB -0.230 63.176 63.200 0.342 0.000 0.823 505 S HN 0.324 nan 8.310 nan 0.000 0.469 506 F N 1.848 121.853 119.950 0.092 0.000 2.206 506 F HA 0.048 4.784 4.527 0.348 0.000 0.298 506 F C 2.011 177.810 175.800 -0.002 0.000 1.090 506 F CA 1.007 58.930 58.000 -0.129 0.000 1.323 506 F CB -0.462 38.474 39.000 -0.106 0.000 1.028 506 F HN 0.040 nan 8.300 nan 0.000 0.492 507 V N 0.607 120.580 119.914 0.098 0.000 2.392 507 V HA -0.319 4.010 4.120 0.348 0.000 0.249 507 V C 2.750 178.818 176.094 -0.043 0.000 1.059 507 V CA 1.785 64.112 62.300 0.045 0.000 1.051 507 V CB -1.674 30.241 31.823 0.152 0.000 0.658 507 V HN 0.454 nan 8.190 nan 0.000 0.455 508 A N -0.816 121.997 122.820 -0.012 0.000 1.972 508 A HA -0.104 4.424 4.320 0.348 0.000 0.219 508 A C 1.558 179.108 177.584 -0.057 0.000 1.169 508 A CA 1.446 53.475 52.037 -0.013 0.000 0.635 508 A CB -0.705 18.309 19.000 0.023 0.000 0.810 508 A HN 0.506 nan 8.150 nan 0.000 0.446 509 T N -0.007 114.463 114.554 -0.139 0.000 2.932 509 T HA 0.377 4.935 4.350 0.348 0.000 0.312 509 T C -0.013 174.634 174.700 -0.088 0.000 1.071 509 T CA 0.589 62.594 62.100 -0.158 0.000 1.128 509 T CB -0.098 68.602 68.868 -0.281 0.000 0.984 509 T HN 0.722 nan 8.240 nan 0.000 0.549 510 F N 0.000 119.836 119.950 -0.190 0.000 2.286 510 F HA 0.000 4.736 4.527 0.348 0.000 0.279 510 F CA 0.000 57.913 58.000 -0.145 0.000 1.383 510 F CB 0.000 38.890 39.000 -0.183 0.000 1.145 510 F HN 0.000 nan 8.300 nan 0.000 0.574