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 2hld_1_J 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 AXXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.498 175.510 -0.020 0.000 1.280 26 N CA 0.000 53.043 53.050 -0.011 0.000 0.885 26 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 27 L N 0.197 121.399 121.223 -0.034 0.000 4.609 27 L HA -0.170 4.170 4.340 0.000 0.000 0.396 27 L C -0.239 176.572 176.870 -0.098 0.000 1.028 27 L CA 0.571 55.368 54.840 -0.073 0.000 1.232 27 L CB -1.758 40.254 42.059 -0.078 0.000 2.071 27 L HN 0.406 nan 8.230 nan 0.000 0.613 28 N N -0.710 117.947 118.700 -0.073 0.000 2.419 28 N HA 0.084 4.824 4.740 0.000 0.000 0.216 28 N C 1.310 176.778 175.510 -0.069 0.000 1.118 28 N CA 0.501 53.507 53.050 -0.073 0.000 0.850 28 N CB 0.456 38.910 38.487 -0.055 0.000 1.292 28 N HN 0.325 nan 8.380 nan 0.000 0.467 29 E N 0.296 120.459 120.200 -0.062 0.000 2.465 29 E HA 0.118 4.468 4.350 0.000 0.000 0.209 29 E C 0.339 176.895 176.600 -0.073 0.000 0.951 29 E CA 0.380 56.743 56.400 -0.061 0.000 0.997 29 E CB 0.969 30.640 29.700 -0.047 0.000 1.025 29 E HN 0.317 nan 8.360 nan 0.000 0.500 30 T N -1.758 112.754 114.554 -0.071 0.000 2.924 30 T HA 0.792 5.142 4.350 0.000 0.000 0.291 30 T C 0.279 174.934 174.700 -0.076 0.000 1.045 30 T CA -0.824 61.232 62.100 -0.073 0.000 1.015 30 T CB 2.547 71.387 68.868 -0.047 0.000 1.103 30 T HN -0.010 nan 8.240 nan 0.000 0.496 31 G N 0.676 109.432 108.800 -0.073 0.000 2.659 31 G HA2 0.618 4.578 3.960 0.000 0.000 0.296 31 G HA3 0.618 4.578 3.960 0.000 0.000 0.296 31 G C -1.236 173.675 174.900 0.018 0.000 1.369 31 G CA -1.035 44.044 45.100 -0.036 0.000 0.937 31 G HN 0.604 nan 8.290 nan 0.000 0.485 32 R N 0.353 120.917 120.500 0.107 0.000 2.368 32 R HA 0.436 4.776 4.340 0.000 0.000 0.302 32 R C -0.080 176.299 176.300 0.132 0.000 1.002 32 R CA -0.937 55.234 56.100 0.119 0.000 0.929 32 R CB 1.649 32.031 30.300 0.138 0.000 1.073 32 R HN 0.290 nan 8.270 nan 0.000 0.464 33 V N 5.417 125.402 119.914 0.120 0.000 2.479 33 V HA -0.004 4.116 4.120 0.000 0.000 0.281 33 V C 1.932 178.081 176.094 0.091 0.000 1.031 33 V CA 0.243 62.623 62.300 0.133 0.000 1.038 33 V CB 0.399 32.318 31.823 0.160 0.000 0.981 33 V HN 0.653 nan 8.190 nan 0.000 0.478 34 L N 4.219 125.497 121.223 0.091 0.000 2.049 34 L HA 0.288 4.628 4.340 0.000 0.000 0.203 34 L C 0.993 177.883 176.870 0.033 0.000 1.074 34 L CA 1.433 56.303 54.840 0.050 0.000 0.749 34 L CB -0.018 42.078 42.059 0.062 0.000 0.907 34 L HN 0.785 nan 8.230 nan 0.000 0.439 35 A N -1.178 121.668 122.820 0.043 0.000 2.604 35 A HA 0.625 4.945 4.320 0.000 0.000 0.295 35 A C -1.716 175.883 177.584 0.026 0.000 1.067 35 A CA -0.353 51.700 52.037 0.025 0.000 0.683 35 A CB 2.014 21.024 19.000 0.016 0.000 1.281 35 A HN -0.181 nan 8.150 nan 0.000 0.407 36 V N 0.467 120.385 119.914 0.007 0.000 2.733 36 V HA 0.921 5.041 4.120 0.000 0.000 0.306 36 V C -0.214 175.868 176.094 -0.021 0.000 1.084 36 V CA 0.808 63.101 62.300 -0.012 0.000 0.905 36 V CB 1.889 33.693 31.823 -0.032 0.000 1.010 36 V HN 2.322 nan 8.190 nan 0.000 0.424 37 G N 3.401 112.186 108.800 -0.025 0.000 2.596 37 G HA2 0.516 4.476 3.960 0.000 0.000 0.296 37 G HA3 0.516 4.476 3.960 0.000 0.000 0.296 37 G C -0.868 174.018 174.900 -0.023 0.000 1.513 37 G CA 0.119 45.205 45.100 -0.023 0.000 0.851 37 G HN 0.914 nan 8.290 nan 0.000 0.548 38 D N -0.363 120.025 120.400 -0.021 0.000 2.870 38 D HA -0.180 4.460 4.640 0.000 0.000 0.228 38 D C 1.564 177.855 176.300 -0.014 0.000 1.147 38 D CA 2.568 56.558 54.000 -0.016 0.000 0.757 38 D CB -1.247 39.544 40.800 -0.015 0.000 1.091 38 D HN 2.294 nan 8.370 nan 0.000 0.429 39 G N -0.830 107.957 108.800 -0.022 0.000 2.153 39 G HA2 -0.297 3.663 3.960 0.000 0.000 0.252 39 G HA3 -0.297 3.663 3.960 0.000 0.000 0.252 39 G C 0.182 175.070 174.900 -0.020 0.000 0.994 39 G CA 0.453 45.541 45.100 -0.020 0.000 0.698 39 G HN 0.494 nan 8.290 nan 0.000 0.521 40 I N 0.450 121.006 120.570 -0.025 0.000 2.474 40 I HA 0.754 4.924 4.170 0.000 0.000 0.294 40 I C 0.358 176.468 176.117 -0.012 0.000 1.005 40 I CA -1.027 60.267 61.300 -0.011 0.000 1.113 40 I CB 1.627 39.624 38.000 -0.006 0.000 1.289 40 I HN 0.380 nan 8.210 nan 0.000 0.436 41 A N 6.842 129.676 122.820 0.023 0.000 2.356 41 A HA 0.745 5.065 4.320 0.000 0.000 0.310 41 A C -0.387 177.254 177.584 0.096 0.000 1.075 41 A CA -0.747 51.328 52.037 0.063 0.000 0.746 41 A CB 1.142 20.213 19.000 0.118 0.000 1.221 41 A HN 0.701 nan 8.150 nan 0.000 0.443 42 R N 1.323 121.872 120.500 0.082 0.000 2.229 42 R HA 0.557 4.897 4.340 0.000 0.000 0.328 42 R C -1.176 175.189 176.300 0.109 0.000 1.009 42 R CA -0.339 55.809 56.100 0.081 0.000 0.864 42 R CB 1.647 31.983 30.300 0.059 0.000 1.085 42 R HN 0.447 nan 8.270 nan 0.000 0.453 43 V N 4.556 124.534 119.914 0.107 0.000 2.540 43 V HA 0.330 4.451 4.120 0.000 0.000 0.302 43 V C -0.584 175.593 176.094 0.138 0.000 1.035 43 V CA -0.897 61.473 62.300 0.116 0.000 0.873 43 V CB 1.530 33.391 31.823 0.064 0.000 0.992 43 V HN 0.540 nan 8.190 nan 0.000 0.428 44 F N 3.906 123.857 119.950 0.002 0.000 2.375 44 F HA 0.739 5.266 4.527 0.000 0.000 0.333 44 F C 0.967 176.758 175.800 -0.015 0.000 1.104 44 F CA 1.351 59.348 58.000 -0.004 0.000 1.149 44 F CB 1.130 40.130 39.000 -0.001 0.000 1.190 44 F HN 0.931 nan 8.300 nan 0.000 0.533 45 G N 4.083 112.419 108.800 -0.773 0.000 2.512 45 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 45 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 45 G C 0.226 174.969 174.900 -0.261 0.000 1.199 45 G CA -0.271 44.512 45.100 -0.529 0.000 0.941 45 G HN 1.491 nan 8.290 nan 0.000 0.569 46 L N -0.479 120.637 121.223 -0.177 0.000 3.737 46 L HA -0.238 4.102 4.340 0.000 0.000 0.418 46 L C 1.685 178.483 176.870 -0.121 0.000 1.216 46 L CA 0.621 55.384 54.840 -0.129 0.000 0.915 46 L CB -1.500 40.491 42.059 -0.114 0.000 1.834 46 L HN 0.661 nan 8.230 nan 0.000 0.943 47 N N 0.338 118.955 118.700 -0.138 0.000 2.192 47 N HA -0.144 4.596 4.740 0.000 0.000 0.188 47 N C 1.222 176.686 175.510 -0.078 0.000 1.013 47 N CA 1.674 54.655 53.050 -0.115 0.000 0.863 47 N CB -0.210 38.204 38.487 -0.122 0.000 0.990 47 N HN 0.537 nan 8.380 nan 0.000 0.430 48 N N 0.414 119.072 118.700 -0.069 0.000 2.314 48 N HA 0.127 4.867 4.740 0.000 0.000 0.200 48 N C 0.186 175.668 175.510 -0.047 0.000 1.135 48 N CA -0.118 52.901 53.050 -0.051 0.000 0.835 48 N CB 0.431 38.890 38.487 -0.045 0.000 0.989 48 N HN 0.333 nan 8.380 nan 0.000 0.478 49 I N 1.115 121.652 120.570 -0.054 0.000 2.696 49 I HA -0.045 4.125 4.170 0.000 0.000 0.284 49 I C 0.131 176.228 176.117 -0.032 0.000 1.129 49 I CA -0.257 61.015 61.300 -0.047 0.000 1.410 49 I CB 0.678 38.644 38.000 -0.058 0.000 1.399 49 I HN 0.027 nan 8.210 nan 0.000 0.579 50 Q N 5.561 125.347 119.800 -0.024 0.000 2.259 50 Q HA 0.483 4.823 4.340 0.000 0.000 0.246 50 Q C -0.167 175.829 176.000 -0.006 0.000 0.920 50 Q CA -0.887 54.909 55.803 -0.013 0.000 0.895 50 Q CB 1.302 30.035 28.738 -0.008 0.000 1.220 50 Q HN 0.768 nan 8.270 nan 0.000 0.439 51 A N 2.450 125.272 122.820 0.003 0.000 2.548 51 A HA -0.004 4.316 4.320 0.000 0.000 0.247 51 A C 0.181 177.778 177.584 0.021 0.000 1.067 51 A CA 0.356 52.401 52.037 0.014 0.000 0.757 51 A CB -0.312 18.701 19.000 0.022 0.000 0.996 51 A HN 0.969 nan 8.150 nan 0.000 0.504 52 E N -0.364 119.854 120.200 0.030 0.000 3.547 52 E HA -0.186 4.164 4.350 0.000 0.000 0.309 52 E C 0.090 176.713 176.600 0.037 0.000 0.855 52 E CA 1.098 57.527 56.400 0.047 0.000 1.122 52 E CB -1.453 28.274 29.700 0.045 0.000 1.569 52 E HN 0.939 nan 8.360 nan 0.000 0.429 53 E N 1.130 121.339 120.200 0.014 0.000 2.313 53 E HA 0.282 4.633 4.350 0.000 0.000 0.276 53 E C -0.247 176.345 176.600 -0.014 0.000 1.031 53 E CA -0.618 55.782 56.400 0.001 0.000 0.857 53 E CB 0.709 30.400 29.700 -0.016 0.000 1.040 53 E HN 0.048 nan 8.360 nan 0.000 0.408 54 L N 5.029 126.248 121.223 -0.007 0.000 2.485 54 L HA 0.085 4.425 4.340 0.000 0.000 0.275 54 L C -0.433 176.391 176.870 -0.077 0.000 1.207 54 L CA 0.390 55.208 54.840 -0.037 0.000 0.855 54 L CB 1.039 43.109 42.059 0.019 0.000 1.114 54 L HN 0.425 nan 8.230 nan 0.000 0.485 55 V N 0.963 120.801 119.914 -0.126 0.000 3.141 55 V HA 0.723 4.843 4.120 0.000 0.000 0.312 55 V C -0.819 175.175 176.094 -0.167 0.000 1.157 55 V CA -0.897 61.297 62.300 -0.176 0.000 1.041 55 V CB 1.886 33.542 31.823 -0.277 0.000 1.071 55 V HN 0.807 nan 8.190 nan 0.000 0.441 56 E N 0.626 120.691 120.200 -0.226 0.000 2.246 56 E HA 0.564 4.914 4.350 0.000 0.000 0.266 56 E C -1.996 174.485 176.600 -0.199 0.000 0.880 56 E CA -0.614 55.724 56.400 -0.105 0.000 0.762 56 E CB 1.867 31.544 29.700 -0.038 0.000 1.180 56 E HN 0.617 nan 8.360 nan 0.000 0.416 57 F N 1.803 121.739 119.950 -0.024 0.000 2.397 57 F HA 0.208 4.735 4.527 0.000 0.000 0.331 57 F C 1.787 177.586 175.800 -0.003 0.000 1.090 57 F CA -0.339 57.653 58.000 -0.013 0.000 1.065 57 F CB 1.671 40.663 39.000 -0.014 0.000 1.184 57 F HN 0.498 nan 8.300 nan 0.000 0.499 58 S N 0.583 116.380 115.700 0.161 0.000 2.389 58 S HA -0.286 4.184 4.470 0.000 0.000 0.231 58 S C 2.261 176.919 174.600 0.097 0.000 1.052 58 S CA 2.046 60.305 58.200 0.098 0.000 1.053 58 S CB -0.602 62.647 63.200 0.082 0.000 0.886 58 S HN 0.801 nan 8.310 nan 0.000 0.456 59 S N 0.304 116.075 115.700 0.118 0.000 2.399 59 S HA 0.149 4.619 4.470 0.000 0.000 0.231 59 S C 1.706 176.351 174.600 0.075 0.000 1.022 59 S CA 1.454 59.700 58.200 0.077 0.000 0.983 59 S CB -0.361 62.871 63.200 0.054 0.000 0.803 59 S HN 0.916 nan 8.310 nan 0.000 0.480 60 G N -0.091 108.772 108.800 0.105 0.000 2.428 60 G HA2 -0.177 3.783 3.960 0.000 0.000 0.199 60 G HA3 -0.177 3.783 3.960 0.000 0.000 0.199 60 G C 0.139 175.107 174.900 0.113 0.000 1.005 60 G CA -0.147 45.008 45.100 0.092 0.000 0.671 60 G HN 0.843 nan 8.290 nan 0.000 0.485 61 V N 1.902 121.883 119.914 0.112 0.000 2.999 61 V HA 0.496 4.616 4.120 0.000 0.000 0.307 61 V C 0.619 176.838 176.094 0.208 0.000 1.084 61 V CA 0.681 63.046 62.300 0.109 0.000 1.155 61 V CB 1.121 32.941 31.823 -0.004 0.000 0.975 61 V HN 0.399 nan 8.190 nan 0.000 0.490 62 K N 3.145 123.642 120.400 0.162 0.000 2.280 62 K HA 0.855 5.175 4.320 0.000 0.000 0.234 62 K C -0.162 176.353 176.600 -0.142 0.000 1.028 62 K CA -0.177 56.162 56.287 0.087 0.000 0.882 62 K CB 1.952 34.492 32.500 0.068 0.000 1.194 62 K HN 0.948 nan 8.250 nan 0.000 0.458 63 G N 0.324 108.915 108.800 -0.348 0.000 2.608 63 G HA2 0.488 4.448 3.960 0.000 0.000 0.291 63 G HA3 0.488 4.448 3.960 0.000 0.000 0.291 63 G C -1.509 173.085 174.900 -0.510 0.000 1.425 63 G CA -0.955 43.806 45.100 -0.565 0.000 0.787 63 G HN 0.544 nan 8.290 nan 0.000 0.484 64 M N -0.204 119.193 119.600 -0.339 0.000 2.535 64 M HA 0.834 5.314 4.480 0.000 0.000 0.314 64 M C -0.234 176.058 176.300 -0.013 0.000 1.153 64 M CA -1.084 54.153 55.300 -0.104 0.000 0.924 64 M CB 2.614 35.236 32.600 0.036 0.000 1.710 64 M HN 0.844 nan 8.290 nan 0.000 0.451 65 A N 3.515 126.332 122.820 -0.004 0.000 2.666 65 A HA 0.471 4.791 4.320 0.000 0.000 0.312 65 A C 0.562 178.161 177.584 0.026 0.000 1.471 65 A CA -0.633 51.408 52.037 0.006 0.000 1.134 65 A CB -0.561 18.431 19.000 -0.014 0.000 1.129 65 A HN 1.028 nan 8.150 nan 0.000 0.539 66 L N 0.888 122.131 121.223 0.034 0.000 2.209 66 L HA 0.043 4.384 4.340 0.000 0.000 0.207 66 L C 0.265 177.152 176.870 0.028 0.000 1.094 66 L CA 0.543 55.406 54.840 0.039 0.000 0.790 66 L CB -0.019 42.060 42.059 0.033 0.000 0.932 66 L HN 0.563 nan 8.230 nan 0.000 0.447 67 N N 0.438 119.149 118.700 0.018 0.000 2.476 67 N HA 0.324 5.064 4.740 0.000 0.000 0.257 67 N C -0.944 174.573 175.510 0.011 0.000 0.970 67 N CA -0.093 52.965 53.050 0.014 0.000 0.938 67 N CB 1.184 39.676 38.487 0.008 0.000 1.144 67 N HN -0.004 nan 8.380 nan 0.000 0.500 68 L N 2.363 123.592 121.223 0.010 0.000 2.352 68 L HA 0.336 4.676 4.340 0.000 0.000 0.272 68 L C 0.340 177.212 176.870 0.003 0.000 1.109 68 L CA -0.220 54.621 54.840 0.001 0.000 0.952 68 L CB -0.002 42.057 42.059 -0.002 0.000 1.314 68 L HN 0.409 nan 8.230 nan 0.000 0.427 69 E N 3.359 123.561 120.200 0.005 0.000 2.254 69 E HA 0.342 4.692 4.350 0.000 0.000 0.261 69 E C -2.265 174.338 176.600 0.005 0.000 1.051 69 E CA -1.901 54.504 56.400 0.009 0.000 0.902 69 E CB 0.813 30.523 29.700 0.016 0.000 1.168 69 E HN 0.254 nan 8.360 nan 0.000 0.423 70 P HA 0.090 nan 4.420 nan 0.000 0.268 70 P C 0.143 177.459 177.300 0.027 0.000 1.282 70 P CA 0.717 63.823 63.100 0.010 0.000 0.880 70 P CB 0.230 31.939 31.700 0.015 0.000 0.971 71 G N 2.608 111.414 108.800 0.011 0.000 2.175 71 G HA2 -0.180 3.780 3.960 0.000 0.000 0.244 71 G HA3 -0.180 3.780 3.960 0.000 0.000 0.244 71 G C -0.130 174.831 174.900 0.101 0.000 0.982 71 G CA 0.166 45.296 45.100 0.050 0.000 0.641 71 G HN 0.666 nan 8.290 nan 0.000 0.527 72 Q N -1.271 118.563 119.800 0.056 0.000 2.482 72 Q HA 0.765 5.105 4.340 0.000 0.000 0.286 72 Q C -1.398 174.616 176.000 0.024 0.000 1.007 72 Q CA -1.196 54.648 55.803 0.068 0.000 0.801 72 Q CB 2.449 31.250 28.738 0.105 0.000 1.455 72 Q HN 0.468 nan 8.270 nan 0.000 0.398 73 V N 0.422 120.351 119.914 0.024 0.000 2.680 73 V HA 0.780 4.900 4.120 0.000 0.000 0.309 73 V C -0.027 176.086 176.094 0.031 0.000 1.052 73 V CA -0.372 61.935 62.300 0.012 0.000 0.908 73 V CB 1.973 33.788 31.823 -0.012 0.000 1.001 73 V HN 0.882 nan 8.190 nan 0.000 0.431 74 G N 4.045 112.861 108.800 0.026 0.000 2.377 74 G HA2 0.681 4.641 3.960 0.000 0.000 0.316 74 G HA3 0.681 4.641 3.960 0.000 0.000 0.316 74 G C -0.878 174.045 174.900 0.037 0.000 1.115 74 G CA -0.286 44.833 45.100 0.032 0.000 0.952 74 G HN 0.564 nan 8.290 nan 0.000 0.441 75 I N 2.589 123.198 120.570 0.064 0.000 2.354 75 I HA 0.269 4.439 4.170 0.000 0.000 0.292 75 I C 0.377 176.531 176.117 0.061 0.000 0.989 75 I CA -1.076 60.270 61.300 0.077 0.000 1.188 75 I CB 2.230 40.326 38.000 0.160 0.000 1.342 75 I HN 0.365 nan 8.210 nan 0.000 0.457 76 V N 5.914 125.853 119.914 0.042 0.000 2.498 76 V HA 0.498 4.618 4.120 0.000 0.000 0.279 76 V C -0.044 176.068 176.094 0.030 0.000 1.048 76 V CA -0.625 61.704 62.300 0.048 0.000 0.967 76 V CB 0.845 32.716 31.823 0.079 0.000 0.988 76 V HN 0.507 nan 8.190 nan 0.000 0.473 77 L N 4.094 125.335 121.223 0.030 0.000 2.421 77 L HA 0.437 4.777 4.340 0.000 0.000 0.263 77 L C 0.733 177.745 176.870 0.236 0.000 1.122 77 L CA -0.507 54.333 54.840 -0.000 0.000 0.804 77 L CB 0.762 42.766 42.059 -0.092 0.000 1.150 77 L HN 0.566 nan 8.230 nan 0.000 0.457 78 F N 0.178 120.154 119.950 0.042 0.000 2.749 78 F HA 0.313 4.840 4.527 0.000 0.000 0.300 78 F C 1.099 176.916 175.800 0.029 0.000 1.103 78 F CA -0.512 57.520 58.000 0.053 0.000 1.342 78 F CB 0.054 39.097 39.000 0.071 0.000 1.098 78 F HN 0.478 nan 8.300 nan 0.000 0.586 79 G N -1.184 107.722 108.800 0.178 0.000 2.827 79 G HA2 0.337 4.297 3.960 0.000 0.000 0.296 79 G HA3 0.337 4.297 3.960 0.000 0.000 0.296 79 G C -0.976 173.939 174.900 0.025 0.000 1.362 79 G CA -0.622 44.531 45.100 0.088 0.000 0.809 79 G HN -0.121 nan 8.290 nan 0.000 0.522 80 S N -0.728 114.978 115.700 0.009 0.000 2.552 80 S HA 0.115 4.585 4.470 0.000 0.000 0.289 80 S C 1.255 175.823 174.600 -0.052 0.000 1.304 80 S CA 0.679 58.871 58.200 -0.013 0.000 1.063 80 S CB 0.483 63.679 63.200 -0.006 0.000 0.848 80 S HN 0.557 nan 8.310 nan 0.000 0.499 81 D N 3.689 124.052 120.400 -0.062 0.000 2.347 81 D HA -0.059 4.581 4.640 0.000 0.000 0.215 81 D C 1.708 177.961 176.300 -0.079 0.000 0.976 81 D CA 0.298 54.237 54.000 -0.101 0.000 0.884 81 D CB -0.181 40.566 40.800 -0.089 0.000 0.915 81 D HN 0.648 nan 8.370 nan 0.000 0.526 82 R N 0.631 121.102 120.500 -0.048 0.000 2.154 82 R HA -0.155 4.185 4.340 0.000 0.000 0.248 82 R C 1.626 177.904 176.300 -0.037 0.000 1.155 82 R CA 1.158 57.238 56.100 -0.033 0.000 0.979 82 R CB -0.355 29.933 30.300 -0.019 0.000 0.869 82 R HN 0.282 nan 8.270 nan 0.000 0.452 83 L N 0.107 121.300 121.223 -0.050 0.000 2.156 83 L HA 0.015 4.355 4.340 0.000 0.000 0.208 83 L C 0.526 177.363 176.870 -0.054 0.000 1.095 83 L CA 0.306 55.120 54.840 -0.044 0.000 0.770 83 L CB 0.067 42.100 42.059 -0.043 0.000 0.914 83 L HN -0.041 nan 8.230 nan 0.000 0.439 84 V N 0.409 120.258 119.914 -0.107 0.000 2.509 84 V HA 0.227 4.347 4.120 0.000 0.000 0.284 84 V C 0.097 176.165 176.094 -0.044 0.000 1.047 84 V CA -0.575 61.659 62.300 -0.110 0.000 0.952 84 V CB 1.373 33.020 31.823 -0.292 0.000 0.988 84 V HN 0.148 nan 8.190 nan 0.000 0.469 85 K N 2.085 122.489 120.400 0.005 0.000 2.395 85 K HA 0.479 4.799 4.320 0.000 0.000 0.245 85 K C -0.482 176.140 176.600 0.037 0.000 1.017 85 K CA -0.880 55.416 56.287 0.015 0.000 0.852 85 K CB 2.364 34.874 32.500 0.017 0.000 1.311 85 K HN 0.754 nan 8.250 nan 0.000 0.452 86 E N 0.068 120.284 120.200 0.027 0.000 2.354 86 E HA 0.134 4.484 4.350 0.000 0.000 0.269 86 E C 0.415 177.036 176.600 0.035 0.000 1.036 86 E CA 0.781 57.201 56.400 0.033 0.000 0.876 86 E CB 0.531 30.241 29.700 0.016 0.000 1.009 86 E HN 0.752 nan 8.360 nan 0.000 0.416 87 G N 3.761 112.588 108.800 0.044 0.000 2.241 87 G HA2 -0.344 3.616 3.960 0.000 0.000 0.244 87 G HA3 -0.344 3.616 3.960 0.000 0.000 0.244 87 G C 0.270 175.203 174.900 0.055 0.000 0.998 87 G CA 0.409 45.532 45.100 0.040 0.000 0.621 87 G HN 0.666 nan 8.290 nan 0.000 0.519 88 E N 0.606 120.850 120.200 0.074 0.000 2.452 88 E HA 0.353 4.703 4.350 0.000 0.000 0.261 88 E C 0.557 177.213 176.600 0.094 0.000 0.987 88 E CA -0.632 55.823 56.400 0.092 0.000 0.926 88 E CB 0.307 30.083 29.700 0.126 0.000 0.934 88 E HN 0.435 nan 8.360 nan 0.000 0.452 89 L N 4.993 126.253 121.223 0.062 0.000 2.426 89 L HA 0.186 4.526 4.340 0.000 0.000 0.271 89 L C -1.149 175.699 176.870 -0.036 0.000 1.169 89 L CA 0.040 54.891 54.840 0.019 0.000 0.836 89 L CB 1.108 43.172 42.059 0.009 0.000 1.112 89 L HN 0.345 nan 8.230 nan 0.000 0.465 90 V N 4.855 124.697 119.914 -0.120 0.000 2.483 90 V HA 0.458 4.578 4.120 0.000 0.000 0.297 90 V C -0.331 175.619 176.094 -0.240 0.000 1.027 90 V CA -0.918 61.193 62.300 -0.315 0.000 0.855 90 V CB 1.486 33.033 31.823 -0.459 0.000 0.995 90 V HN 0.698 nan 8.190 nan 0.000 0.424 91 K N 3.704 123.962 120.400 -0.236 0.000 2.138 91 K HA 0.635 4.955 4.320 0.000 0.000 0.263 91 K C -0.026 176.476 176.600 -0.164 0.000 0.965 91 K CA -0.789 55.405 56.287 -0.154 0.000 0.868 91 K CB 1.943 34.384 32.500 -0.099 0.000 1.083 91 K HN 0.558 nan 8.250 nan 0.000 0.443 92 R N 0.182 120.610 120.500 -0.119 0.000 2.774 92 R HA 0.020 4.360 4.340 0.000 0.000 0.269 92 R C 1.042 177.300 176.300 -0.070 0.000 1.068 92 R CA 0.385 56.428 56.100 -0.095 0.000 1.180 92 R CB 0.288 30.544 30.300 -0.072 0.000 1.077 92 R HN 0.826 nan 8.270 nan 0.000 0.513 93 T N -3.216 111.306 114.554 -0.053 0.000 3.004 93 T HA 0.177 4.527 4.350 0.000 0.000 0.266 93 T C 1.318 176.005 174.700 -0.021 0.000 0.986 93 T CA 0.256 62.337 62.100 -0.031 0.000 0.902 93 T CB 0.669 69.526 68.868 -0.018 0.000 1.118 93 T HN 0.813 nan 8.240 nan 0.000 0.522 94 G N 2.230 111.015 108.800 -0.026 0.000 2.196 94 G HA2 -0.257 3.703 3.960 0.000 0.000 0.268 94 G HA3 -0.257 3.703 3.960 0.000 0.000 0.268 94 G C -0.124 174.770 174.900 -0.009 0.000 0.975 94 G CA 0.201 45.290 45.100 -0.018 0.000 0.648 94 G HN 0.647 nan 8.290 nan 0.000 0.538 95 N N 0.757 119.455 118.700 -0.003 0.000 2.424 95 N HA 0.467 5.207 4.740 0.000 0.000 0.271 95 N C 0.418 175.938 175.510 0.015 0.000 0.985 95 N CA -0.632 52.423 53.050 0.008 0.000 0.921 95 N CB 1.343 39.839 38.487 0.016 0.000 1.149 95 N HN 0.044 nan 8.380 nan 0.000 0.492 96 I N 1.574 122.153 120.570 0.016 0.000 2.754 96 I HA -0.004 4.166 4.170 0.000 0.000 0.285 96 I C 0.930 177.070 176.117 0.037 0.000 1.166 96 I CA -0.300 61.013 61.300 0.022 0.000 1.417 96 I CB 0.118 38.125 38.000 0.011 0.000 1.382 96 I HN 0.148 nan 8.210 nan 0.000 0.588 97 V N 6.334 126.282 119.914 0.057 0.000 2.584 97 V HA 0.001 4.121 4.120 0.000 0.000 0.303 97 V C 0.302 176.425 176.094 0.048 0.000 1.035 97 V CA 0.214 62.563 62.300 0.082 0.000 1.172 97 V CB -0.142 31.753 31.823 0.121 0.000 0.896 97 V HN 0.939 nan 8.190 nan 0.000 0.486 98 D N 3.746 124.177 120.400 0.051 0.000 2.652 98 D HA 0.691 5.331 4.640 0.000 0.000 0.285 98 D C -1.123 175.195 176.300 0.031 0.000 1.173 98 D CA -0.716 53.304 54.000 0.034 0.000 0.981 98 D CB 2.251 43.067 40.800 0.027 0.000 1.440 98 D HN 0.416 nan 8.370 nan 0.000 0.485 99 V N -0.279 119.647 119.914 0.020 0.000 2.932 99 V HA 0.535 4.655 4.120 0.000 0.000 0.307 99 V C -2.780 173.311 176.094 -0.005 0.000 1.147 99 V CA -1.946 60.360 62.300 0.010 0.000 0.951 99 V CB 2.484 34.316 31.823 0.014 0.000 1.031 99 V HN 0.593 nan 8.190 nan 0.000 0.426 100 P HA 0.265 nan 4.420 nan 0.000 0.268 100 P C -0.835 176.417 177.300 -0.080 0.000 1.205 100 P CA 0.383 63.451 63.100 -0.052 0.000 0.771 100 P CB 1.167 32.832 31.700 -0.057 0.000 0.858 101 V N -0.895 118.938 119.914 -0.135 0.000 3.130 101 V HA 1.023 5.143 4.120 0.000 0.000 0.310 101 V C -0.155 175.627 176.094 -0.520 0.000 1.158 101 V CA -0.299 61.863 62.300 -0.229 0.000 1.029 101 V CB 1.534 33.296 31.823 -0.102 0.000 1.057 101 V HN 0.998 nan 8.190 nan 0.000 0.436 102 G N 1.725 109.977 108.800 -0.913 0.000 2.351 102 G HA2 0.276 4.236 3.960 0.000 0.000 0.353 102 G HA3 0.276 4.236 3.960 0.000 0.000 0.353 102 G C -2.760 171.426 174.900 -1.190 0.000 1.358 102 G CA 0.058 44.236 45.100 -1.536 0.000 0.995 102 G HN 0.719 nan 8.290 nan 0.000 0.611 103 P HA 0.072 nan 4.420 nan 0.000 0.233 103 P C 1.756 178.896 177.300 -0.266 0.000 1.167 103 P CA 1.411 64.175 63.100 -0.559 0.000 0.770 103 P CB -0.000 31.467 31.700 -0.388 0.000 0.837 104 G N 0.364 108.987 108.800 -0.296 0.000 2.535 104 G HA2 -0.162 3.798 3.960 0.000 0.000 0.218 104 G HA3 -0.162 3.798 3.960 0.000 0.000 0.218 104 G C 1.432 176.263 174.900 -0.114 0.000 1.122 104 G CA 0.145 45.145 45.100 -0.166 0.000 0.769 104 G HN 0.253 nan 8.290 nan 0.000 0.549 105 L N -0.105 121.042 121.223 -0.128 0.000 2.395 105 L HA 0.253 4.593 4.340 0.000 0.000 0.218 105 L C 1.102 177.976 176.870 0.007 0.000 1.130 105 L CA -0.265 54.541 54.840 -0.056 0.000 0.826 105 L CB -0.101 41.927 42.059 -0.052 0.000 0.941 105 L HN 0.106 nan 8.230 nan 0.000 0.451 106 L N 0.199 121.442 121.223 0.033 0.000 2.525 106 L HA 0.056 4.396 4.340 0.000 0.000 0.278 106 L C 1.422 178.321 176.870 0.048 0.000 1.218 106 L CA 0.794 55.687 54.840 0.088 0.000 0.878 106 L CB 0.113 42.255 42.059 0.139 0.000 1.127 106 L HN 0.354 nan 8.230 nan 0.000 0.492 107 G N 1.745 110.566 108.800 0.035 0.000 2.162 107 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 107 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 107 G C 0.228 175.126 174.900 -0.003 0.000 0.976 107 G CA -0.259 44.842 45.100 0.001 0.000 0.655 107 G HN 0.462 nan 8.290 nan 0.000 0.533 108 R N -0.464 120.040 120.500 0.006 0.000 2.732 108 R HA 0.666 5.006 4.340 0.000 0.000 0.278 108 R C -0.173 176.132 176.300 0.008 0.000 0.976 108 R CA -0.834 55.267 56.100 0.001 0.000 0.963 108 R CB 1.760 32.057 30.300 -0.004 0.000 1.150 108 R HN 0.187 nan 8.270 nan 0.000 0.478 109 V N 2.999 122.916 119.914 0.005 0.000 2.370 109 V HA 0.402 4.522 4.120 0.000 0.000 0.279 109 V C 0.317 176.417 176.094 0.010 0.000 1.029 109 V CA -0.718 61.590 62.300 0.013 0.000 0.870 109 V CB 1.311 33.141 31.823 0.012 0.000 0.984 109 V HN 0.585 nan 8.190 nan 0.000 0.451 110 V N 1.337 121.259 119.914 0.013 0.000 3.074 110 V HA 0.833 4.953 4.120 0.000 0.000 0.314 110 V C -0.374 175.722 176.094 0.003 0.000 1.117 110 V CA -0.893 61.410 62.300 0.005 0.000 1.014 110 V CB 2.085 33.908 31.823 0.000 0.000 1.057 110 V HN 0.783 nan 8.190 nan 0.000 0.438 111 D N 2.024 122.421 120.400 -0.006 0.000 2.469 111 D HA 0.540 5.180 4.640 0.000 0.000 0.278 111 D C 1.196 177.478 176.300 -0.031 0.000 1.231 111 D CA 0.087 54.077 54.000 -0.017 0.000 1.075 111 D CB 0.861 41.648 40.800 -0.022 0.000 1.121 111 D HN 0.801 nan 8.370 nan 0.000 0.571 112 A N -0.989 121.797 122.820 -0.058 0.000 2.067 112 A HA 0.024 4.344 4.320 0.000 0.000 0.219 112 A C 2.010 179.552 177.584 -0.070 0.000 1.158 112 A CA 0.767 52.760 52.037 -0.073 0.000 0.661 112 A CB -0.752 18.176 19.000 -0.120 0.000 0.801 112 A HN 0.498 nan 8.150 nan 0.000 0.452 113 L N -1.410 119.773 121.223 -0.067 0.000 2.700 113 L HA 0.298 4.638 4.340 0.000 0.000 0.234 113 L C 1.403 178.266 176.870 -0.012 0.000 1.156 113 L CA 0.394 55.213 54.840 -0.036 0.000 0.946 113 L CB 0.065 42.108 42.059 -0.028 0.000 1.216 113 L HN 0.496 nan 8.230 nan 0.000 0.493 114 G N 0.171 108.962 108.800 -0.015 0.000 2.143 114 G HA2 -0.252 3.708 3.960 0.000 0.000 0.248 114 G HA3 -0.252 3.708 3.960 0.000 0.000 0.248 114 G C 0.002 174.896 174.900 -0.010 0.000 0.991 114 G CA -0.275 44.818 45.100 -0.011 0.000 0.689 114 G HN 0.403 nan 8.290 nan 0.000 0.522 115 N N 1.814 120.510 118.700 -0.007 0.000 2.488 115 N HA 0.366 5.107 4.740 0.000 0.000 0.274 115 N C -2.440 173.068 175.510 -0.003 0.000 1.111 115 N CA -1.092 51.957 53.050 -0.002 0.000 0.974 115 N CB 1.470 39.960 38.487 0.004 0.000 1.089 115 N HN 0.178 nan 8.380 nan 0.000 0.465 116 P HA 0.077 nan 4.420 nan 0.000 0.267 116 P C 0.511 177.812 177.300 0.001 0.000 1.209 116 P CA 0.047 63.145 63.100 -0.003 0.000 0.763 116 P CB 0.383 32.080 31.700 -0.006 0.000 0.816 117 I N -0.063 120.508 120.570 0.002 0.000 4.082 117 I HA 0.178 4.348 4.170 0.000 0.000 0.337 117 I C 0.506 176.626 176.117 0.004 0.000 1.352 117 I CA -0.136 61.166 61.300 0.004 0.000 1.097 117 I CB -0.161 37.843 38.000 0.007 0.000 1.048 117 I HN 0.028 nan 8.210 nan 0.000 0.393 118 D N 1.196 121.596 120.400 0.001 0.000 2.339 118 D HA 0.143 4.783 4.640 0.000 0.000 0.217 118 D C 1.637 177.936 176.300 -0.002 0.000 1.050 118 D CA 0.470 54.469 54.000 -0.001 0.000 0.856 118 D CB -0.061 40.737 40.800 -0.004 0.000 0.922 118 D HN 0.392 nan 8.370 nan 0.000 0.518 119 G N 0.828 109.627 108.800 -0.001 0.000 2.221 119 G HA2 -0.363 3.597 3.960 0.000 0.000 0.265 119 G HA3 -0.363 3.597 3.960 0.000 0.000 0.265 119 G C 0.678 175.576 174.900 -0.003 0.000 1.041 119 G CA 0.402 45.501 45.100 -0.002 0.000 0.807 119 G HN 0.454 nan 8.290 nan 0.000 0.502 120 K N -0.192 120.205 120.400 -0.005 0.000 2.373 120 K HA 0.463 4.783 4.320 0.000 0.000 0.202 120 K C 1.391 177.986 176.600 -0.007 0.000 1.025 120 K CA 0.386 56.669 56.287 -0.006 0.000 1.115 120 K CB 0.591 33.086 32.500 -0.008 0.000 0.858 120 K HN 1.459 nan 8.250 nan 0.000 0.525 121 G N 2.211 111.007 108.800 -0.006 0.000 2.631 121 G HA2 -0.174 3.786 3.960 0.000 0.000 0.504 121 G HA3 -0.174 3.786 3.960 0.000 0.000 0.504 121 G C -2.876 172.018 174.900 -0.010 0.000 1.306 121 G CA -1.279 43.817 45.100 -0.007 0.000 0.897 121 G HN -0.043 nan 8.290 nan 0.000 0.520 122 P HA 0.487 nan 4.420 nan 0.000 0.272 122 P C 0.313 177.599 177.300 -0.023 0.000 1.223 122 P CA -0.560 62.531 63.100 -0.015 0.000 0.784 122 P CB 0.430 32.121 31.700 -0.014 0.000 0.923 123 I N 1.658 122.210 120.570 -0.029 0.000 2.581 123 I HA 0.142 4.312 4.170 0.000 0.000 0.288 123 I C 0.312 176.396 176.117 -0.055 0.000 1.047 123 I CA -0.009 61.265 61.300 -0.044 0.000 1.374 123 I CB 0.241 38.212 38.000 -0.049 0.000 1.423 123 I HN 0.252 nan 8.210 nan 0.000 0.549 124 D N 4.360 124.717 120.400 -0.072 0.000 2.396 124 D HA 0.487 5.127 4.640 0.000 0.000 0.225 124 D C -0.013 176.207 176.300 -0.134 0.000 1.121 124 D CA -0.018 53.930 54.000 -0.087 0.000 0.853 124 D CB 1.268 42.020 40.800 -0.079 0.000 1.043 124 D HN 0.621 nan 8.370 nan 0.000 0.500 125 A N 1.833 124.578 122.820 -0.125 0.000 2.309 125 A HA 0.611 4.931 4.320 0.000 0.000 0.298 125 A C 1.168 178.650 177.584 -0.170 0.000 1.165 125 A CA -0.355 51.581 52.037 -0.168 0.000 0.821 125 A CB 1.197 20.124 19.000 -0.121 0.000 1.102 125 A HN 0.568 nan 8.150 nan 0.000 0.500 126 A N 1.926 124.592 122.820 -0.257 0.000 2.014 126 A HA 0.475 4.795 4.320 0.000 0.000 0.218 126 A C 1.212 178.755 177.584 -0.068 0.000 1.163 126 A CA 1.740 53.674 52.037 -0.172 0.000 0.652 126 A CB -0.350 18.497 19.000 -0.255 0.000 0.808 126 A HN 2.105 nan 8.150 nan 0.000 0.449 127 G N -1.681 107.069 108.800 -0.082 0.000 2.427 127 G HA2 0.523 4.483 3.960 0.000 0.000 0.306 127 G HA3 0.523 4.483 3.960 0.000 0.000 0.306 127 G C -1.454 173.427 174.900 -0.031 0.000 1.280 127 G CA -0.976 44.110 45.100 -0.023 0.000 0.837 127 G HN 0.215 nan 8.290 nan 0.000 0.482 128 R N -0.228 120.271 120.500 -0.002 0.000 2.628 128 R HA 0.699 5.039 4.340 0.000 0.000 0.288 128 R C -1.091 175.221 176.300 0.020 0.000 0.980 128 R CA -0.622 55.478 56.100 0.001 0.000 0.891 128 R CB 2.258 32.559 30.300 0.001 0.000 1.188 128 R HN 0.484 nan 8.270 nan 0.000 0.450 129 S N 1.715 117.430 115.700 0.026 0.000 2.532 129 S HA 0.462 4.932 4.470 0.000 0.000 0.301 129 S C -0.208 174.409 174.600 0.029 0.000 1.083 129 S CA -0.976 57.246 58.200 0.036 0.000 1.025 129 S CB 1.921 65.153 63.200 0.053 0.000 1.056 129 S HN 0.386 nan 8.310 nan 0.000 0.494 130 R N 0.746 121.261 120.500 0.025 0.000 2.643 130 R HA 0.226 4.566 4.340 0.000 0.000 0.270 130 R C 1.395 177.706 176.300 0.019 0.000 1.061 130 R CA 0.095 56.205 56.100 0.017 0.000 1.107 130 R CB 0.209 30.513 30.300 0.006 0.000 0.999 130 R HN 0.830 nan 8.270 nan 0.000 0.460 131 A N 2.995 125.820 122.820 0.009 0.000 1.908 131 A HA -0.134 4.186 4.320 0.000 0.000 0.218 131 A C 0.550 178.118 177.584 -0.026 0.000 1.181 131 A CA 1.306 53.348 52.037 0.009 0.000 0.627 131 A CB 0.076 19.063 19.000 -0.022 0.000 0.818 131 A HN 0.544 nan 8.150 nan 0.000 0.445 132 Q N 0.161 119.907 119.800 -0.090 0.000 2.368 132 Q HA 0.522 4.862 4.340 0.000 0.000 0.256 132 Q C -1.459 174.513 176.000 -0.048 0.000 0.980 132 Q CA -0.057 55.664 55.803 -0.136 0.000 0.887 132 Q CB 1.556 30.168 28.738 -0.210 0.000 1.221 132 Q HN 0.156 nan 8.270 nan 0.000 0.458 133 V N 3.373 123.282 119.914 -0.009 0.000 2.623 133 V HA 0.246 4.366 4.120 0.000 0.000 0.304 133 V C -0.013 176.095 176.094 0.023 0.000 1.054 133 V CA -1.218 61.090 62.300 0.014 0.000 0.882 133 V CB 1.981 33.824 31.823 0.033 0.000 1.002 133 V HN 0.517 nan 8.190 nan 0.000 0.424 134 K N 2.863 123.276 120.400 0.021 0.000 2.569 134 K HA 0.180 4.500 4.320 0.000 0.000 0.280 134 K C 0.496 177.117 176.600 0.035 0.000 0.984 134 K CA 0.400 56.706 56.287 0.031 0.000 1.064 134 K CB 0.441 32.959 32.500 0.030 0.000 0.866 134 K HN 0.926 nan 8.250 nan 0.000 0.492 135 A N 5.365 128.210 122.820 0.041 0.000 2.351 135 A HA 0.347 4.667 4.320 0.000 0.000 0.257 135 A C -1.951 175.653 177.584 0.033 0.000 1.087 135 A CA -1.219 50.842 52.037 0.040 0.000 0.798 135 A CB -0.412 18.614 19.000 0.042 0.000 1.033 135 A HN 0.439 nan 8.150 nan 0.000 0.488 136 P HA 0.150 nan 4.420 nan 0.000 0.261 136 P C 0.711 178.026 177.300 0.025 0.000 1.183 136 P CA 0.694 63.807 63.100 0.022 0.000 0.761 136 P CB 0.259 31.971 31.700 0.020 0.000 0.785 137 G N 2.697 111.510 108.800 0.022 0.000 2.529 137 G HA2 0.040 4.000 3.960 0.000 0.000 0.277 137 G HA3 0.040 4.000 3.960 0.000 0.000 0.277 137 G C 1.179 176.092 174.900 0.021 0.000 1.383 137 G CA -0.555 44.559 45.100 0.023 0.000 1.050 137 G HN 0.340 nan 8.290 nan 0.000 0.526 138 I N -0.661 119.921 120.570 0.020 0.000 2.127 138 I HA -0.134 4.036 4.170 0.000 0.000 0.241 138 I C 2.797 178.922 176.117 0.014 0.000 1.075 138 I CA 1.073 62.384 61.300 0.018 0.000 1.334 138 I CB -1.182 36.828 38.000 0.017 0.000 1.040 138 I HN 0.302 nan 8.210 nan 0.000 0.405 139 L N 1.813 123.042 121.223 0.011 0.000 1.994 139 L HA -0.083 4.258 4.340 0.000 0.000 0.208 139 L C -0.827 176.047 176.870 0.006 0.000 1.071 139 L CA 2.003 56.847 54.840 0.007 0.000 0.745 139 L CB -1.837 40.225 42.059 0.006 0.000 0.892 139 L HN 0.154 nan 8.230 nan 0.000 0.431 140 P HA 0.045 nan 4.420 nan 0.000 0.261 140 P C -0.737 176.568 177.300 0.008 0.000 1.650 140 P CA 0.440 63.543 63.100 0.005 0.000 0.846 140 P CB -0.232 31.469 31.700 0.003 0.000 1.758 141 R N 0.004 120.510 120.500 0.010 0.000 2.774 141 R HA 0.633 4.973 4.340 0.000 0.000 0.272 141 R C -0.315 175.994 176.300 0.014 0.000 1.000 141 R CA -0.896 55.214 56.100 0.017 0.000 0.906 141 R CB 2.661 32.973 30.300 0.020 0.000 1.227 141 R HN -0.027 nan 8.270 nan 0.000 0.468 142 R N 0.894 121.409 120.500 0.024 0.000 2.621 142 R HA 0.314 4.654 4.340 0.000 0.000 0.284 142 R C -1.083 175.237 176.300 0.033 0.000 0.998 142 R CA -0.450 55.659 56.100 0.014 0.000 0.895 142 R CB 2.153 32.459 30.300 0.008 0.000 1.195 142 R HN 0.733 nan 8.270 nan 0.000 0.450 143 S N 1.711 117.419 115.700 0.013 0.000 2.599 143 S HA -0.039 4.431 4.470 0.000 0.000 0.303 143 S C 0.355 175.009 174.600 0.090 0.000 1.267 143 S CA -0.159 58.059 58.200 0.030 0.000 1.055 143 S CB 0.468 63.671 63.200 0.005 0.000 0.790 143 S HN 0.358 nan 8.310 nan 0.000 0.500 144 V N 5.373 125.336 119.914 0.082 0.000 2.599 144 V HA 0.070 4.190 4.120 0.000 0.000 0.300 144 V C 1.328 177.504 176.094 0.136 0.000 1.034 144 V CA 0.728 63.083 62.300 0.090 0.000 1.115 144 V CB 0.184 32.026 31.823 0.031 0.000 0.934 144 V HN 1.114 nan 8.190 nan 0.000 0.485 145 H N 2.060 121.106 119.070 -0.040 0.000 3.943 145 H HA 0.280 4.836 4.556 0.000 0.000 0.265 145 H C 0.021 175.306 175.328 -0.072 0.000 1.133 145 H CA -0.370 55.651 56.048 -0.046 0.000 1.188 145 H CB 0.563 30.304 29.762 -0.034 0.000 1.486 145 H HN 0.602 nan 8.280 nan 0.000 0.795 146 E N 3.643 123.517 120.200 -0.544 0.000 2.166 146 E HA 0.395 4.745 4.350 0.000 0.000 0.275 146 E C -2.760 173.649 176.600 -0.318 0.000 0.941 146 E CA -2.155 53.947 56.400 -0.497 0.000 0.784 146 E CB 2.102 31.436 29.700 -0.610 0.000 1.115 146 E HN 0.172 nan 8.360 nan 0.000 0.399 147 P HA -0.016 nan 4.420 nan 0.000 0.269 147 P C -0.767 176.365 177.300 -0.280 0.000 1.209 147 P CA -0.210 62.754 63.100 -0.227 0.000 0.776 147 P CB 0.562 32.141 31.700 -0.201 0.000 0.876 148 V N 4.120 123.911 119.914 -0.205 0.000 2.277 148 V HA 0.152 4.272 4.120 0.000 0.000 0.269 148 V C 0.403 176.414 176.094 -0.137 0.000 1.036 148 V CA -0.248 61.934 62.300 -0.195 0.000 0.821 148 V CB 0.076 31.819 31.823 -0.133 0.000 1.052 148 V HN 0.479 nan 8.190 nan 0.000 0.462 149 Q N 2.221 121.924 119.800 -0.162 0.000 2.286 149 Q HA 0.110 4.450 4.340 0.000 0.000 0.265 149 Q C 1.440 177.466 176.000 0.043 0.000 1.080 149 Q CA 0.223 56.007 55.803 -0.030 0.000 0.906 149 Q CB 1.004 29.773 28.738 0.053 0.000 1.227 149 Q HN 0.935 nan 8.270 nan 0.000 0.409 150 T N -1.089 113.483 114.554 0.030 0.000 3.014 150 T HA 0.086 4.436 4.350 0.000 0.000 0.263 150 T C 1.431 176.165 174.700 0.058 0.000 1.078 150 T CA 0.529 62.651 62.100 0.037 0.000 1.135 150 T CB 0.068 68.946 68.868 0.017 0.000 0.895 150 T HN 0.838 nan 8.240 nan 0.000 0.480 151 G N 1.260 110.100 108.800 0.065 0.000 2.176 151 G HA2 -0.201 3.759 3.960 0.000 0.000 0.253 151 G HA3 -0.201 3.759 3.960 0.000 0.000 0.253 151 G C -0.040 174.884 174.900 0.041 0.000 0.979 151 G CA 0.109 45.246 45.100 0.063 0.000 0.641 151 G HN 0.633 nan 8.290 nan 0.000 0.530 152 L N 0.752 121.995 121.223 0.032 0.000 2.278 152 L HA 0.362 4.702 4.340 0.000 0.000 0.287 152 L C 1.832 178.720 176.870 0.029 0.000 1.072 152 L CA -0.667 54.187 54.840 0.024 0.000 0.819 152 L CB 1.048 43.116 42.059 0.016 0.000 1.176 152 L HN 0.069 nan 8.230 nan 0.000 0.435 153 K N 2.558 122.978 120.400 0.032 0.000 2.034 153 K HA -0.281 4.039 4.320 0.000 0.000 0.214 153 K C 2.007 178.628 176.600 0.035 0.000 1.051 153 K CA 2.014 58.324 56.287 0.038 0.000 0.931 153 K CB -0.182 32.342 32.500 0.039 0.000 0.715 153 K HN 0.830 nan 8.250 nan 0.000 0.446 154 A N 0.966 123.804 122.820 0.031 0.000 1.858 154 A HA -0.148 4.173 4.320 0.000 0.000 0.216 154 A C 2.429 180.033 177.584 0.033 0.000 1.190 154 A CA 1.834 53.891 52.037 0.033 0.000 0.617 154 A CB -0.866 18.153 19.000 0.032 0.000 0.827 154 A HN 0.089 nan 8.150 nan 0.000 0.443 155 V N 0.862 120.793 119.914 0.028 0.000 2.214 155 V HA -0.303 3.817 4.120 0.000 0.000 0.247 155 V C 2.244 178.351 176.094 0.021 0.000 1.051 155 V CA 2.431 64.745 62.300 0.023 0.000 1.003 155 V CB -1.116 30.716 31.823 0.016 0.000 0.635 155 V HN 0.501 nan 8.190 nan 0.000 0.447 156 D N 0.256 120.669 120.400 0.022 0.000 2.149 156 D HA -0.138 4.502 4.640 0.000 0.000 0.198 156 D C 2.114 178.428 176.300 0.024 0.000 0.990 156 D CA 1.757 55.768 54.000 0.019 0.000 0.839 156 D CB -0.344 40.471 40.800 0.026 0.000 0.948 156 D HN 0.481 nan 8.370 nan 0.000 0.460 157 A N -0.276 122.563 122.820 0.033 0.000 1.898 157 A HA 0.026 4.346 4.320 0.000 0.000 0.214 157 A C 2.207 179.813 177.584 0.036 0.000 1.183 157 A CA 0.794 52.854 52.037 0.039 0.000 0.622 157 A CB -0.286 18.743 19.000 0.047 0.000 0.824 157 A HN 0.217 nan 8.150 nan 0.000 0.444 158 L N -1.351 119.894 121.223 0.036 0.000 2.642 158 L HA 0.182 4.522 4.340 0.000 0.000 0.233 158 L C -0.367 176.523 176.870 0.033 0.000 1.077 158 L CA 0.132 54.995 54.840 0.038 0.000 0.879 158 L CB 1.082 43.168 42.059 0.045 0.000 1.151 158 L HN 0.079 nan 8.230 nan 0.000 0.495 159 V N 0.617 120.548 119.914 0.028 0.000 2.464 159 V HA 0.285 4.405 4.120 0.000 0.000 0.255 159 V C -2.587 173.513 176.094 0.011 0.000 0.946 159 V CA -1.222 61.092 62.300 0.023 0.000 0.988 159 V CB 0.426 32.267 31.823 0.029 0.000 1.210 159 V HN -0.045 nan 8.190 nan 0.000 0.523 160 P HA 0.394 nan 4.420 nan 0.000 0.276 160 P C -0.396 176.894 177.300 -0.017 0.000 1.230 160 P CA 0.097 63.193 63.100 -0.006 0.000 0.776 160 P CB 0.991 32.688 31.700 -0.006 0.000 0.888 161 I N 2.202 122.754 120.570 -0.030 0.000 2.339 161 I HA 0.443 4.613 4.170 0.000 0.000 0.290 161 I C 1.156 177.234 176.117 -0.066 0.000 0.994 161 I CA -0.396 60.879 61.300 -0.041 0.000 1.191 161 I CB 1.503 39.479 38.000 -0.041 0.000 1.343 161 I HN 0.326 nan 8.210 nan 0.000 0.458 162 G N 5.271 114.034 108.800 -0.061 0.000 2.522 162 G HA2 0.494 4.454 3.960 0.000 0.000 0.304 162 G HA3 0.494 4.454 3.960 0.000 0.000 0.304 162 G C -0.310 174.534 174.900 -0.093 0.000 1.210 162 G CA -0.812 44.236 45.100 -0.087 0.000 0.960 162 G HN 0.548 nan 8.290 nan 0.000 0.497 163 R N -0.364 120.058 120.500 -0.128 0.000 2.267 163 R HA 0.442 4.782 4.340 0.000 0.000 0.319 163 R C 0.945 177.229 176.300 -0.028 0.000 1.067 163 R CA 0.828 56.866 56.100 -0.103 0.000 0.936 163 R CB 0.985 31.172 30.300 -0.188 0.000 1.006 163 R HN 1.033 nan 8.270 nan 0.000 0.452 164 G N 1.799 110.599 108.800 -0.001 0.000 2.159 164 G HA2 -0.285 3.675 3.960 0.000 0.000 0.227 164 G HA3 -0.285 3.675 3.960 0.000 0.000 0.227 164 G C 0.019 174.925 174.900 0.011 0.000 0.986 164 G CA 0.051 45.164 45.100 0.021 0.000 0.651 164 G HN 0.591 nan 8.290 nan 0.000 0.523 165 Q N -0.019 119.778 119.800 -0.005 0.000 2.214 165 Q HA 0.721 5.061 4.340 0.000 0.000 0.251 165 Q C -0.081 175.913 176.000 -0.009 0.000 0.936 165 Q CA -0.920 54.879 55.803 -0.007 0.000 0.894 165 Q CB 0.694 29.422 28.738 -0.017 0.000 1.252 165 Q HN 0.390 nan 8.270 nan 0.000 0.448 166 R N 2.279 122.773 120.500 -0.010 0.000 2.275 166 R HA 0.283 4.623 4.340 0.000 0.000 0.326 166 R C -1.296 174.987 176.300 -0.028 0.000 0.973 166 R CA -0.569 55.522 56.100 -0.016 0.000 0.854 166 R CB 1.305 31.595 30.300 -0.016 0.000 1.156 166 R HN 0.483 nan 8.270 nan 0.000 0.487 167 E N 3.135 123.314 120.200 -0.034 0.000 2.129 167 E HA 0.195 4.545 4.350 0.000 0.000 0.268 167 E C -1.361 175.203 176.600 -0.060 0.000 0.900 167 E CA -0.925 55.449 56.400 -0.043 0.000 0.755 167 E CB 0.965 30.643 29.700 -0.036 0.000 1.117 167 E HN 0.351 nan 8.360 nan 0.000 0.410 168 L N 5.632 126.804 121.223 -0.085 0.000 2.367 168 L HA 0.446 4.786 4.340 0.000 0.000 0.275 168 L C -0.899 175.888 176.870 -0.140 0.000 1.129 168 L CA 0.135 54.903 54.840 -0.120 0.000 0.839 168 L CB 0.513 42.478 42.059 -0.155 0.000 1.133 168 L HN 0.644 nan 8.230 nan 0.000 0.453 169 I N 7.033 127.528 120.570 -0.126 0.000 2.312 169 I HA 0.403 4.573 4.170 0.000 0.000 0.290 169 I C -0.280 175.738 176.117 -0.165 0.000 1.008 169 I CA -0.145 61.080 61.300 -0.126 0.000 1.226 169 I CB 1.176 39.135 38.000 -0.068 0.000 1.371 169 I HN 0.596 nan 8.210 nan 0.000 0.468 170 I N 5.324 125.741 120.570 -0.254 0.000 2.769 170 I HA 0.911 5.081 4.170 0.000 0.000 0.298 170 I C -0.375 175.635 176.117 -0.177 0.000 1.128 170 I CA -0.047 61.080 61.300 -0.289 0.000 1.031 170 I CB 2.146 39.829 38.000 -0.527 0.000 1.235 170 I HN 0.673 nan 8.210 nan 0.000 0.423 171 G N 4.625 113.405 108.800 -0.032 0.000 2.325 171 G HA2 0.159 4.119 3.960 0.000 0.000 0.297 171 G HA3 0.159 4.119 3.960 0.000 0.000 0.297 171 G C -1.932 173.003 174.900 0.059 0.000 1.448 171 G CA -0.828 44.326 45.100 0.089 0.000 0.838 171 G HN 0.529 nan 8.290 nan 0.000 0.579 172 D N 0.287 120.728 120.400 0.068 0.000 2.354 172 D HA 0.311 4.951 4.640 0.000 0.000 0.238 172 D C 1.378 177.683 176.300 0.009 0.000 1.250 172 D CA 0.012 54.037 54.000 0.041 0.000 0.911 172 D CB 0.399 41.224 40.800 0.042 0.000 1.163 172 D HN 0.695 nan 8.370 nan 0.000 0.456 173 R N 0.825 121.330 120.500 0.008 0.000 2.566 173 R HA -0.081 4.259 4.340 0.000 0.000 0.273 173 R C -0.122 176.151 176.300 -0.044 0.000 0.981 173 R CA 0.076 56.171 56.100 -0.008 0.000 1.091 173 R CB -0.048 30.256 30.300 0.005 0.000 0.924 173 R HN 0.278 nan 8.270 nan 0.000 0.411 174 Q N 0.077 119.837 119.800 -0.066 0.000 2.487 174 Q HA -0.159 4.181 4.340 0.000 0.000 0.279 174 Q C 0.220 176.073 176.000 -0.244 0.000 1.228 174 Q CA 1.724 57.446 55.803 -0.135 0.000 0.873 174 Q CB -1.880 26.786 28.738 -0.121 0.000 1.260 174 Q HN 1.012 nan 8.270 nan 0.000 0.471 175 T N -4.833 109.617 114.554 -0.174 0.000 3.069 175 T HA 0.427 4.777 4.350 0.000 0.000 0.252 175 T C 1.201 175.822 174.700 -0.131 0.000 1.053 175 T CA 0.790 62.774 62.100 -0.193 0.000 0.964 175 T CB 0.990 69.816 68.868 -0.070 0.000 1.005 175 T HN 0.839 nan 8.240 nan 0.000 0.532 176 G N 1.999 110.735 108.800 -0.108 0.000 2.131 176 G HA2 -0.248 3.713 3.960 0.000 0.000 0.201 176 G HA3 -0.248 3.713 3.960 0.000 0.000 0.201 176 G C 0.727 175.620 174.900 -0.012 0.000 1.000 176 G CA 0.191 45.272 45.100 -0.032 0.000 0.680 176 G HN 0.520 nan 8.290 nan 0.000 0.514 177 K N -0.346 120.044 120.400 -0.017 0.000 2.009 177 K HA -0.090 4.231 4.320 0.000 0.000 0.210 177 K C 2.488 179.094 176.600 0.010 0.000 1.049 177 K CA 1.895 58.178 56.287 -0.007 0.000 0.929 177 K CB -0.475 32.017 32.500 -0.014 0.000 0.714 177 K HN 0.289 nan 8.250 nan 0.000 0.440 178 T N 1.379 115.947 114.554 0.023 0.000 2.746 178 T HA -0.149 4.201 4.350 0.000 0.000 0.267 178 T C 2.081 176.794 174.700 0.022 0.000 1.039 178 T CA 1.420 63.553 62.100 0.056 0.000 1.142 178 T CB -0.361 68.552 68.868 0.074 0.000 0.866 178 T HN 0.387 nan 8.240 nan 0.000 0.444 179 A N 0.954 123.765 122.820 -0.014 0.000 1.948 179 A HA -0.107 4.213 4.320 0.000 0.000 0.220 179 A C 2.570 180.127 177.584 -0.047 0.000 1.177 179 A CA 1.550 53.550 52.037 -0.062 0.000 0.636 179 A CB -1.078 17.859 19.000 -0.104 0.000 0.815 179 A HN 0.379 nan 8.150 nan 0.000 0.449 180 V N -0.430 119.473 119.914 -0.018 0.000 2.295 180 V HA -0.243 3.877 4.120 0.000 0.000 0.246 180 V C 3.044 179.139 176.094 0.001 0.000 1.049 180 V CA 2.017 64.311 62.300 -0.010 0.000 1.024 180 V CB -1.177 30.645 31.823 -0.002 0.000 0.648 180 V HN 0.634 nan 8.190 nan 0.000 0.447 181 A N -0.534 122.297 122.820 0.018 0.000 1.898 181 A HA -0.154 4.166 4.320 0.000 0.000 0.216 181 A C 2.137 179.742 177.584 0.034 0.000 1.181 181 A CA 1.818 53.879 52.037 0.040 0.000 0.620 181 A CB -0.534 18.519 19.000 0.089 0.000 0.819 181 A HN 0.433 nan 8.150 nan 0.000 0.442 182 L N -0.056 121.173 121.223 0.010 0.000 2.083 182 L HA -0.145 4.195 4.340 0.000 0.000 0.209 182 L C 1.563 178.432 176.870 -0.003 0.000 1.083 182 L CA 2.187 57.015 54.840 -0.019 0.000 0.752 182 L CB -0.473 41.571 42.059 -0.025 0.000 0.899 182 L HN 0.308 nan 8.230 nan 0.000 0.433 183 D N -1.423 118.972 120.400 -0.008 0.000 2.144 183 D HA -0.133 4.507 4.640 0.000 0.000 0.200 183 D C 2.060 178.376 176.300 0.026 0.000 0.978 183 D CA 1.570 55.569 54.000 -0.001 0.000 0.833 183 D CB -0.115 40.670 40.800 -0.025 0.000 0.961 183 D HN 0.337 nan 8.370 nan 0.000 0.470 184 T N 1.056 115.626 114.554 0.027 0.000 2.708 184 T HA -0.094 4.256 4.350 0.000 0.000 0.266 184 T C 2.223 176.963 174.700 0.066 0.000 1.037 184 T CA 0.664 62.788 62.100 0.039 0.000 1.146 184 T CB -0.163 68.719 68.868 0.023 0.000 0.865 184 T HN 0.165 nan 8.240 nan 0.000 0.435 185 I N 0.779 121.391 120.570 0.070 0.000 2.142 185 I HA -0.126 4.044 4.170 0.000 0.000 0.240 185 I C 2.306 178.530 176.117 0.179 0.000 1.078 185 I CA 1.201 62.577 61.300 0.125 0.000 1.343 185 I CB -0.459 37.587 38.000 0.077 0.000 1.046 185 I HN 0.182 nan 8.210 nan 0.000 0.405 186 L N 0.522 121.801 121.223 0.093 0.000 2.127 186 L HA -0.245 4.095 4.340 0.000 0.000 0.211 186 L C 2.169 179.114 176.870 0.125 0.000 1.089 186 L CA 1.368 56.264 54.840 0.093 0.000 0.757 186 L CB -0.790 41.258 42.059 -0.018 0.000 0.899 186 L HN 0.364 nan 8.230 nan 0.000 0.434 187 N N -0.453 118.311 118.700 0.106 0.000 2.396 187 N HA -0.155 4.585 4.740 0.000 0.000 0.180 187 N C 1.779 177.356 175.510 0.112 0.000 1.028 187 N CA 0.646 53.752 53.050 0.095 0.000 0.893 187 N CB 0.128 38.688 38.487 0.122 0.000 0.967 187 N HN 0.193 nan 8.380 nan 0.000 0.440 188 Q N 0.448 120.327 119.800 0.131 0.000 2.439 188 Q HA -0.057 4.283 4.340 0.000 0.000 0.211 188 Q C 1.439 177.355 176.000 -0.140 0.000 0.978 188 Q CA 0.592 56.437 55.803 0.069 0.000 0.897 188 Q CB -0.124 28.512 28.738 -0.171 0.000 0.956 188 Q HN 0.455 nan 8.270 nan 0.000 0.483 189 K N 0.662 121.005 120.400 -0.095 0.000 2.127 189 K HA -0.169 4.151 4.320 0.000 0.000 0.208 189 K C 2.024 178.471 176.600 -0.256 0.000 1.047 189 K CA 1.243 57.473 56.287 -0.095 0.000 0.927 189 K CB -0.066 32.445 32.500 0.018 0.000 0.716 189 K HN 0.190 nan 8.250 nan 0.000 0.450 190 R N -0.666 119.535 120.500 -0.498 0.000 2.127 190 R HA -0.154 4.186 4.340 0.000 0.000 0.238 190 R C 1.824 177.540 176.300 -0.973 0.000 1.134 190 R CA 1.556 57.097 56.100 -0.931 0.000 0.975 190 R CB -0.070 29.248 30.300 -1.635 0.000 0.865 190 R HN 0.430 nan 8.270 nan 0.000 0.447 191 W N -0.752 120.455 121.300 -0.156 0.000 2.866 191 W HA 0.204 4.864 4.660 0.000 0.000 0.258 191 W C 1.268 177.669 176.519 -0.198 0.000 1.183 191 W CA -0.575 56.673 57.345 -0.162 0.000 1.451 191 W CB -0.447 28.909 29.460 -0.173 0.000 0.959 191 W HN 0.032 nan 8.180 nan 0.000 0.622 192 N N 1.417 120.063 118.700 -0.090 0.000 2.364 192 N HA -0.131 4.609 4.740 0.000 0.000 0.183 192 N C 1.051 176.512 175.510 -0.081 0.000 1.022 192 N CA 0.965 53.879 53.050 -0.225 0.000 0.883 192 N CB -0.522 37.601 38.487 -0.607 0.000 0.965 192 N HN 0.142 nan 8.380 nan 0.000 0.438 193 N N 0.127 118.789 118.700 -0.063 0.000 2.446 193 N HA 0.015 4.755 4.740 0.000 0.000 0.179 193 N C 1.119 176.622 175.510 -0.012 0.000 1.054 193 N CA 0.237 53.274 53.050 -0.021 0.000 0.905 193 N CB 0.045 38.508 38.487 -0.040 0.000 0.973 193 N HN 0.181 nan 8.380 nan 0.000 0.448 194 G N -0.741 108.052 108.800 -0.012 0.000 2.509 194 G HA2 0.249 4.209 3.960 0.000 0.000 0.269 194 G HA3 0.249 4.209 3.960 0.000 0.000 0.269 194 G C 0.589 175.511 174.900 0.036 0.000 1.416 194 G CA -0.190 44.917 45.100 0.011 0.000 1.052 194 G HN 0.132 nan 8.290 nan 0.000 0.542 195 S N -1.017 114.710 115.700 0.044 0.000 2.520 195 S HA 0.118 4.588 4.470 0.000 0.000 0.219 195 S C 0.354 174.992 174.600 0.064 0.000 1.028 195 S CA -0.209 58.024 58.200 0.055 0.000 0.921 195 S CB 0.302 63.529 63.200 0.045 0.000 0.844 195 S HN 0.571 nan 8.310 nan 0.000 0.495 196 D N 2.803 123.241 120.400 0.063 0.000 2.342 196 D HA 0.063 4.703 4.640 0.000 0.000 0.260 196 D C 0.881 177.223 176.300 0.070 0.000 1.278 196 D CA 0.213 54.251 54.000 0.063 0.000 0.910 196 D CB 0.511 41.347 40.800 0.061 0.000 1.079 196 D HN 0.067 nan 8.370 nan 0.000 0.496 197 E N 1.484 121.735 120.200 0.085 0.000 2.347 197 E HA -0.115 4.235 4.350 0.000 0.000 0.196 197 E C 1.632 178.308 176.600 0.127 0.000 1.008 197 E CA 0.458 56.929 56.400 0.118 0.000 0.852 197 E CB 0.095 29.880 29.700 0.142 0.000 0.783 197 E HN 0.538 nan 8.360 nan 0.000 0.505 198 S N -0.060 115.700 115.700 0.099 0.000 2.527 198 S HA 0.065 4.535 4.470 0.000 0.000 0.222 198 S C 1.573 176.181 174.600 0.012 0.000 0.985 198 S CA 0.272 58.553 58.200 0.135 0.000 0.921 198 S CB 0.130 63.385 63.200 0.091 0.000 0.772 198 S HN 0.081 nan 8.310 nan 0.000 0.529 199 K N 0.542 120.912 120.400 -0.050 0.000 2.360 199 K HA 0.253 4.573 4.320 0.000 0.000 0.196 199 K C 0.099 176.562 176.600 -0.228 0.000 1.049 199 K CA -0.039 56.117 56.287 -0.218 0.000 1.049 199 K CB 0.361 32.763 32.500 -0.163 0.000 0.881 199 K HN 0.283 nan 8.250 nan 0.000 0.542 200 K N 1.350 121.685 120.400 -0.107 0.000 2.295 200 K HA 0.172 4.492 4.320 0.000 0.000 0.270 200 K C -0.747 175.677 176.600 -0.293 0.000 1.011 200 K CA -0.273 55.880 56.287 -0.224 0.000 0.953 200 K CB 0.682 32.996 32.500 -0.311 0.000 0.956 200 K HN -0.153 nan 8.250 nan 0.000 0.477 201 L N 3.858 124.825 121.223 -0.426 0.000 2.415 201 L HA 0.284 4.624 4.340 0.000 0.000 0.268 201 L C -1.636 174.986 176.870 -0.413 0.000 0.984 201 L CA -0.405 54.239 54.840 -0.326 0.000 0.853 201 L CB 0.628 42.549 42.059 -0.230 0.000 1.215 201 L HN 0.431 nan 8.230 nan 0.000 0.419 202 Y N 3.045 123.210 120.300 -0.224 0.000 2.319 202 Y HA 0.394 4.944 4.550 0.000 0.000 0.328 202 Y C 0.494 176.275 175.900 -0.198 0.000 1.133 202 Y CA -0.065 57.860 58.100 -0.291 0.000 1.265 202 Y CB 0.868 38.823 38.460 -0.842 0.000 1.218 202 Y HN 0.472 nan 8.280 nan 0.000 0.508 203 C N 3.654 123.034 119.300 0.134 0.000 2.303 203 C HA 0.637 5.097 4.460 0.000 0.000 0.326 203 C C -0.274 174.761 174.990 0.074 0.000 1.285 203 C CA -1.169 57.911 59.018 0.103 0.000 1.675 203 C CB 0.025 27.876 27.740 0.185 0.000 2.289 203 C HN 0.554 nan 8.230 nan 0.000 0.512 204 V N 4.053 123.988 119.914 0.035 0.000 2.350 204 V HA 0.266 4.386 4.120 0.000 0.000 0.285 204 V C -0.804 175.293 176.094 0.006 0.000 1.014 204 V CA -0.548 61.770 62.300 0.030 0.000 0.831 204 V CB 0.777 32.604 31.823 0.008 0.000 1.000 204 V HN 0.792 nan 8.190 nan 0.000 0.433 205 Y N 5.253 125.515 120.300 -0.064 0.000 2.342 205 Y HA 0.615 5.165 4.550 0.000 0.000 0.338 205 Y C -0.204 175.661 175.900 -0.059 0.000 0.965 205 Y CA -0.716 57.339 58.100 -0.074 0.000 1.159 205 Y CB 1.557 39.989 38.460 -0.047 0.000 1.157 205 Y HN 0.444 nan 8.280 nan 0.000 0.486 206 V N 6.309 125.886 119.914 -0.561 0.000 2.318 206 V HA 0.562 4.682 4.120 0.000 0.000 0.271 206 V C 0.214 176.002 176.094 -0.509 0.000 1.030 206 V CA -0.780 61.300 62.300 -0.366 0.000 0.844 206 V CB 0.521 32.243 31.823 -0.169 0.000 1.015 206 V HN 0.936 nan 8.190 nan 0.000 0.460 207 A N 5.532 128.186 122.820 -0.277 0.000 2.343 207 A HA 0.662 4.982 4.320 0.000 0.000 0.305 207 A C -0.239 177.314 177.584 -0.053 0.000 1.308 207 A CA -0.282 51.686 52.037 -0.116 0.000 0.949 207 A CB 0.214 19.268 19.000 0.090 0.000 1.148 207 A HN 0.727 nan 8.150 nan 0.000 0.545 208 V N 2.562 122.446 119.914 -0.050 0.000 2.409 208 V HA 0.655 4.775 4.120 0.000 0.000 0.291 208 V C 1.214 177.318 176.094 0.017 0.000 1.020 208 V CA 0.421 62.715 62.300 -0.010 0.000 0.848 208 V CB 0.584 32.400 31.823 -0.012 0.000 0.990 208 V HN 1.734 nan 8.190 nan 0.000 0.430 209 G N 3.792 112.610 108.800 0.031 0.000 2.179 209 G HA2 -0.233 3.727 3.960 0.000 0.000 0.260 209 G HA3 -0.233 3.727 3.960 0.000 0.000 0.260 209 G C 0.212 175.136 174.900 0.040 0.000 0.977 209 G CA 0.361 45.485 45.100 0.041 0.000 0.641 209 G HN 0.665 nan 8.290 nan 0.000 0.533 210 Q N 0.485 120.310 119.800 0.041 0.000 2.382 210 Q HA 0.478 4.818 4.340 0.000 0.000 0.229 210 Q C 0.704 176.730 176.000 0.044 0.000 1.006 210 Q CA 0.065 55.897 55.803 0.048 0.000 0.916 210 Q CB 0.569 29.347 28.738 0.067 0.000 1.235 210 Q HN 0.645 nan 8.270 nan 0.000 0.512 211 K N 0.238 120.663 120.400 0.042 0.000 2.154 211 K HA 0.228 4.548 4.320 0.000 0.000 0.264 211 K C 0.375 176.997 176.600 0.037 0.000 1.008 211 K CA -0.554 55.754 56.287 0.035 0.000 0.937 211 K CB 1.090 33.609 32.500 0.031 0.000 1.002 211 K HN 0.416 nan 8.250 nan 0.000 0.469 212 R N 0.573 121.092 120.500 0.031 0.000 2.105 212 R HA -0.156 4.184 4.340 0.000 0.000 0.239 212 R C 2.205 178.521 176.300 0.026 0.000 1.135 212 R CA 2.099 58.216 56.100 0.029 0.000 0.967 212 R CB -0.334 29.980 30.300 0.023 0.000 0.861 212 R HN 0.925 nan 8.270 nan 0.000 0.442 213 S N -0.698 115.016 115.700 0.023 0.000 2.453 213 S HA -0.055 4.416 4.470 0.000 0.000 0.231 213 S C 1.792 176.404 174.600 0.020 0.000 1.005 213 S CA 1.257 59.468 58.200 0.019 0.000 0.949 213 S CB -0.011 63.200 63.200 0.017 0.000 0.774 213 S HN 0.150 nan 8.310 nan 0.000 0.510 214 T N 2.264 116.835 114.554 0.028 0.000 2.812 214 T HA 0.051 4.401 4.350 0.000 0.000 0.264 214 T C 1.892 176.610 174.700 0.030 0.000 1.042 214 T CA 1.271 63.390 62.100 0.032 0.000 1.140 214 T CB -0.423 68.472 68.868 0.044 0.000 0.870 214 T HN 0.295 nan 8.240 nan 0.000 0.445 215 V N 1.978 121.918 119.914 0.044 0.000 2.295 215 V HA -0.153 3.967 4.120 0.000 0.000 0.246 215 V C 2.936 179.036 176.094 0.009 0.000 1.049 215 V CA 1.648 63.975 62.300 0.046 0.000 1.024 215 V CB -1.308 30.558 31.823 0.071 0.000 0.648 215 V HN 0.506 nan 8.190 nan 0.000 0.447 216 A N -0.273 122.553 122.820 0.010 0.000 1.927 216 A HA -0.367 3.953 4.320 0.000 0.000 0.220 216 A C 2.196 179.771 177.584 -0.015 0.000 1.185 216 A CA 2.590 54.626 52.037 -0.002 0.000 0.639 216 A CB -0.576 18.425 19.000 0.003 0.000 0.820 216 A HN 0.574 nan 8.150 nan 0.000 0.451 217 Q N -0.899 118.894 119.800 -0.011 0.000 2.123 217 Q HA -0.004 4.336 4.340 0.000 0.000 0.199 217 Q C 1.846 177.821 176.000 -0.041 0.000 0.966 217 Q CA 1.475 57.267 55.803 -0.019 0.000 0.845 217 Q CB -0.373 28.363 28.738 -0.003 0.000 0.907 217 Q HN 0.583 nan 8.270 nan 0.000 0.439 218 L N -0.864 120.326 121.223 -0.055 0.000 2.056 218 L HA -0.078 4.262 4.340 0.000 0.000 0.207 218 L C 1.997 178.791 176.870 -0.126 0.000 1.078 218 L CA 1.057 55.829 54.840 -0.113 0.000 0.749 218 L CB -0.332 41.614 42.059 -0.188 0.000 0.901 218 L HN 0.109 nan 8.230 nan 0.000 0.433 219 V N -0.376 119.483 119.914 -0.093 0.000 2.295 219 V HA -0.354 3.766 4.120 0.000 0.000 0.246 219 V C 2.545 178.597 176.094 -0.070 0.000 1.049 219 V CA 2.164 64.416 62.300 -0.079 0.000 1.024 219 V CB -0.601 31.194 31.823 -0.047 0.000 0.648 219 V HN 0.592 nan 8.190 nan 0.000 0.447 220 Q N -0.607 119.159 119.800 -0.057 0.000 2.096 220 Q HA -0.231 4.109 4.340 0.000 0.000 0.204 220 Q C 2.297 178.262 176.000 -0.058 0.000 0.982 220 Q CA 2.317 58.089 55.803 -0.051 0.000 0.850 220 Q CB -0.174 28.539 28.738 -0.042 0.000 0.901 220 Q HN 0.693 nan 8.270 nan 0.000 0.422 221 T N 1.309 115.819 114.554 -0.073 0.000 2.674 221 T HA -0.130 4.220 4.350 0.000 0.000 0.265 221 T C 1.862 176.542 174.700 -0.033 0.000 1.039 221 T CA 1.141 63.192 62.100 -0.081 0.000 1.150 221 T CB -0.298 68.482 68.868 -0.146 0.000 0.864 221 T HN 0.242 nan 8.240 nan 0.000 0.427 222 L N 0.747 121.917 121.223 -0.088 0.000 2.051 222 L HA -0.203 4.137 4.340 0.000 0.000 0.214 222 L C 2.741 179.574 176.870 -0.061 0.000 1.076 222 L CA 1.598 56.380 54.840 -0.097 0.000 0.758 222 L CB -0.620 41.349 42.059 -0.150 0.000 0.890 222 L HN 0.391 nan 8.230 nan 0.000 0.433 223 E N -0.405 119.760 120.200 -0.059 0.000 2.051 223 E HA -0.264 4.086 4.350 0.000 0.000 0.192 223 E C 2.245 178.819 176.600 -0.043 0.000 0.991 223 E CA 1.135 57.502 56.400 -0.054 0.000 0.799 223 E CB -0.084 29.584 29.700 -0.052 0.000 0.748 223 E HN 0.535 nan 8.360 nan 0.000 0.449 224 Q N -0.356 119.421 119.800 -0.039 0.000 2.226 224 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 224 Q C 1.122 177.022 176.000 -0.167 0.000 0.975 224 Q CA 1.144 56.888 55.803 -0.098 0.000 0.866 224 Q CB 0.011 28.673 28.738 -0.127 0.000 0.915 224 Q HN 0.385 nan 8.270 nan 0.000 0.440 225 H N -0.691 118.321 119.070 -0.098 0.000 2.529 225 H HA 0.067 4.623 4.556 0.000 0.000 0.277 225 H C -0.477 174.820 175.328 -0.052 0.000 1.004 225 H CA 0.243 56.250 56.048 -0.069 0.000 1.167 225 H CB 0.401 30.125 29.762 -0.062 0.000 1.445 225 H HN 0.121 nan 8.280 nan 0.000 0.554 226 D N -0.472 119.934 120.400 0.011 0.000 2.723 226 D HA -0.207 4.433 4.640 0.000 0.000 0.236 226 D C 0.835 177.108 176.300 -0.045 0.000 1.138 226 D CA 0.747 54.739 54.000 -0.014 0.000 0.676 226 D CB -1.033 39.770 40.800 0.006 0.000 1.069 226 D HN 0.519 nan 8.370 nan 0.000 0.430 227 A N -0.544 122.183 122.820 -0.156 0.000 2.259 227 A HA 0.163 4.483 4.320 0.000 0.000 0.213 227 A C 2.059 179.220 177.584 -0.705 0.000 1.209 227 A CA 0.327 52.066 52.037 -0.498 0.000 0.910 227 A CB 0.030 18.860 19.000 -0.282 0.000 0.946 227 A HN 0.282 nan 8.150 nan 0.000 0.497 228 M N 1.444 120.842 119.600 -0.337 0.000 2.108 228 M HA -0.196 4.285 4.480 0.000 0.000 0.261 228 M C 2.145 178.322 176.300 -0.204 0.000 1.066 228 M CA 2.151 57.310 55.300 -0.236 0.000 1.107 228 M CB -0.958 31.568 32.600 -0.124 0.000 1.356 228 M HN 0.702 nan 8.290 nan 0.000 0.406 229 K N 0.245 120.549 120.400 -0.160 0.000 2.286 229 K HA -0.201 4.119 4.320 0.000 0.000 0.203 229 K C 1.113 177.768 176.600 0.092 0.000 1.045 229 K CA 1.858 58.134 56.287 -0.018 0.000 0.935 229 K CB -0.724 31.799 32.500 0.039 0.000 0.737 229 K HN 0.545 nan 8.250 nan 0.000 0.460 230 Y N -0.871 119.485 120.300 0.094 0.000 2.584 230 Y HA 0.508 5.058 4.550 0.000 0.000 0.254 230 Y C -0.250 175.724 175.900 0.123 0.000 1.177 230 Y CA -1.118 57.076 58.100 0.155 0.000 1.216 230 Y CB 0.317 38.831 38.460 0.090 0.000 1.172 230 Y HN -0.129 nan 8.280 nan 0.000 0.529 231 S N 1.124 116.799 115.700 -0.043 0.000 2.578 231 S HA 0.721 5.191 4.470 0.000 0.000 0.301 231 S C -0.733 173.892 174.600 0.041 0.000 1.091 231 S CA -0.640 57.559 58.200 -0.002 0.000 1.032 231 S CB 1.679 64.803 63.200 -0.127 0.000 1.064 231 S HN 0.245 nan 8.310 nan 0.000 0.508 232 I N 2.507 123.120 120.570 0.072 0.000 2.466 232 I HA 0.391 4.561 4.170 0.000 0.000 0.289 232 I C -1.040 175.125 176.117 0.079 0.000 1.026 232 I CA -0.617 60.727 61.300 0.073 0.000 1.078 232 I CB 1.489 39.551 38.000 0.103 0.000 1.249 232 I HN 0.362 nan 8.210 nan 0.000 0.429 233 I N 7.051 127.663 120.570 0.070 0.000 2.312 233 I HA 0.302 4.472 4.170 0.000 0.000 0.290 233 I C -0.080 176.079 176.117 0.070 0.000 1.008 233 I CA -0.692 60.671 61.300 0.105 0.000 1.226 233 I CB 1.293 39.352 38.000 0.098 0.000 1.371 233 I HN 0.140 nan 8.210 nan 0.000 0.468 234 V N 6.097 126.044 119.914 0.055 0.000 2.350 234 V HA 0.627 4.747 4.120 0.000 0.000 0.276 234 V C 0.484 176.586 176.094 0.014 0.000 1.028 234 V CA -0.578 61.734 62.300 0.021 0.000 0.860 234 V CB 1.329 33.154 31.823 0.003 0.000 0.990 234 V HN 0.852 nan 8.190 nan 0.000 0.453 235 A N 4.455 127.286 122.820 0.018 0.000 2.285 235 A HA 0.843 5.163 4.320 0.000 0.000 0.310 235 A C 0.121 177.708 177.584 0.004 0.000 1.266 235 A CA -0.348 51.702 52.037 0.022 0.000 0.832 235 A CB 1.105 20.130 19.000 0.041 0.000 1.163 235 A HN 1.191 nan 8.150 nan 0.000 0.499 236 A N 3.332 126.152 122.820 -0.001 0.000 2.644 236 A HA 0.618 4.938 4.320 0.000 0.000 0.343 236 A C 0.587 178.179 177.584 0.014 0.000 1.324 236 A CA 0.017 52.053 52.037 -0.002 0.000 0.846 236 A CB -0.455 18.538 19.000 -0.011 0.000 1.128 236 A HN 1.133 nan 8.150 nan 0.000 0.484 237 T N -1.312 113.253 114.554 0.019 0.000 2.788 237 T HA 0.542 4.892 4.350 0.000 0.000 0.280 237 T C 1.588 176.307 174.700 0.031 0.000 0.984 237 T CA 0.021 62.138 62.100 0.028 0.000 0.972 237 T CB 1.079 69.964 68.868 0.029 0.000 1.039 237 T HN 0.982 nan 8.240 nan 0.000 0.530 238 A N 0.954 123.794 122.820 0.034 0.000 1.948 238 A HA -0.115 4.205 4.320 0.000 0.000 0.220 238 A C 2.522 180.126 177.584 0.034 0.000 1.177 238 A CA 2.333 54.391 52.037 0.036 0.000 0.636 238 A CB -1.515 17.506 19.000 0.034 0.000 0.815 238 A HN 1.091 nan 8.150 nan 0.000 0.449 239 S N -0.345 115.372 115.700 0.029 0.000 2.470 239 S HA 0.046 4.517 4.470 0.000 0.000 0.225 239 S C 0.560 175.177 174.600 0.029 0.000 1.006 239 S CA 0.050 58.266 58.200 0.027 0.000 0.934 239 S CB -0.225 62.989 63.200 0.023 0.000 0.778 239 S HN 0.654 nan 8.310 nan 0.000 0.517 240 E N 1.800 122.017 120.200 0.028 0.000 2.383 240 E HA 0.488 4.838 4.350 0.000 0.000 0.264 240 E C 0.202 176.826 176.600 0.040 0.000 1.050 240 E CA -0.236 56.180 56.400 0.027 0.000 0.896 240 E CB 0.624 30.331 29.700 0.012 0.000 0.982 240 E HN 0.475 nan 8.360 nan 0.000 0.424 241 A N 2.143 124.994 122.820 0.051 0.000 2.555 241 A HA 0.105 4.426 4.320 0.000 0.000 0.233 241 A C 1.298 178.938 177.584 0.093 0.000 1.060 241 A CA 0.714 52.797 52.037 0.078 0.000 0.759 241 A CB 0.228 19.298 19.000 0.117 0.000 0.995 241 A HN 0.823 nan 8.150 nan 0.000 0.506 242 A N 2.939 125.824 122.820 0.107 0.000 1.933 242 A HA -0.016 4.304 4.320 0.000 0.000 0.218 242 A C -0.131 177.572 177.584 0.198 0.000 1.175 242 A CA 1.949 54.063 52.037 0.128 0.000 0.628 242 A CB -1.565 17.495 19.000 0.100 0.000 0.814 242 A HN 0.644 nan 8.150 nan 0.000 0.444 243 P HA -0.138 nan 4.420 nan 0.000 0.216 243 P C 1.418 178.872 177.300 0.258 0.000 1.150 243 P CA 0.836 64.168 63.100 0.387 0.000 0.837 243 P CB -0.169 31.844 31.700 0.522 0.000 0.786 244 L N -0.884 120.351 121.223 0.020 0.000 2.083 244 L HA -0.218 4.122 4.340 0.000 0.000 0.209 244 L C 2.564 179.432 176.870 -0.004 0.000 1.083 244 L CA 1.613 56.381 54.840 -0.120 0.000 0.752 244 L CB -0.992 40.965 42.059 -0.170 0.000 0.899 244 L HN 0.049 nan 8.230 nan 0.000 0.433 245 Q N -1.139 118.707 119.800 0.077 0.000 2.172 245 Q HA -0.214 4.126 4.340 0.000 0.000 0.200 245 Q C 2.091 178.176 176.000 0.142 0.000 0.964 245 Q CA 1.489 57.344 55.803 0.087 0.000 0.855 245 Q CB -0.209 28.589 28.738 0.100 0.000 0.918 245 Q HN 0.569 nan 8.270 nan 0.000 0.444 246 Y N 0.733 121.092 120.300 0.097 0.000 2.314 246 Y HA -0.098 4.452 4.550 0.000 0.000 0.293 246 Y C 1.587 177.603 175.900 0.193 0.000 1.129 246 Y CA 1.025 59.216 58.100 0.152 0.000 1.201 246 Y CB -0.097 38.502 38.460 0.233 0.000 0.999 246 Y HN -0.039 nan 8.280 nan 0.000 0.541 247 L N 0.039 121.145 121.223 -0.196 0.000 2.209 247 L HA 0.010 4.350 4.340 0.000 0.000 0.207 247 L C 2.834 179.663 176.870 -0.068 0.000 1.094 247 L CA 0.784 55.490 54.840 -0.224 0.000 0.790 247 L CB -0.843 41.128 42.059 -0.147 0.000 0.932 247 L HN 0.338 nan 8.230 nan 0.000 0.447 248 A N 0.826 123.604 122.820 -0.070 0.000 1.948 248 A HA -0.163 4.157 4.320 0.000 0.000 0.220 248 A C -0.201 177.348 177.584 -0.058 0.000 1.177 248 A CA 1.802 53.808 52.037 -0.052 0.000 0.636 248 A CB -1.678 17.298 19.000 -0.041 0.000 0.815 248 A HN 0.283 nan 8.150 nan 0.000 0.449 249 P HA -0.105 nan 4.420 nan 0.000 0.216 249 P C 1.025 178.194 177.300 -0.218 0.000 1.153 249 P CA 1.007 63.977 63.100 -0.217 0.000 0.848 249 P CB -0.181 31.122 31.700 -0.661 0.000 0.787 250 F N 0.148 120.020 119.950 -0.129 0.000 2.075 250 F HA -0.192 4.335 4.527 0.000 0.000 0.297 250 F C 2.497 178.269 175.800 -0.046 0.000 1.113 250 F CA 1.996 59.928 58.000 -0.114 0.000 1.218 250 F CB -2.228 36.649 39.000 -0.205 0.000 0.984 250 F HN -0.061 nan 8.300 nan 0.000 0.472 251 T N -1.054 113.573 114.554 0.122 0.000 2.699 251 T HA -0.260 4.090 4.350 0.000 0.000 0.268 251 T C 2.151 176.891 174.700 0.067 0.000 1.036 251 T CA 1.242 63.383 62.100 0.069 0.000 1.147 251 T CB -1.110 67.774 68.868 0.027 0.000 0.862 251 T HN 0.264 nan 8.240 nan 0.000 0.446 252 A N 2.066 124.923 122.820 0.062 0.000 1.902 252 A HA 0.302 4.622 4.320 0.000 0.000 0.217 252 A C 2.861 180.501 177.584 0.094 0.000 1.181 252 A CA 1.926 54.001 52.037 0.063 0.000 0.623 252 A CB -1.427 17.595 19.000 0.037 0.000 0.818 252 A HN 0.725 nan 8.150 nan 0.000 0.443 253 A N -0.426 122.472 122.820 0.131 0.000 1.892 253 A HA -0.145 4.175 4.320 0.000 0.000 0.218 253 A C 2.456 180.118 177.584 0.131 0.000 1.188 253 A CA 2.280 54.403 52.037 0.144 0.000 0.631 253 A CB -0.995 18.099 19.000 0.157 0.000 0.822 253 A HN 0.460 nan 8.150 nan 0.000 0.447 254 S N -0.383 115.388 115.700 0.119 0.000 2.382 254 S HA -0.113 4.357 4.470 0.000 0.000 0.228 254 S C 1.795 176.470 174.600 0.124 0.000 1.027 254 S CA 1.427 59.692 58.200 0.109 0.000 0.991 254 S CB -0.497 62.754 63.200 0.085 0.000 0.823 254 S HN 0.538 nan 8.310 nan 0.000 0.469 255 I N 1.279 121.919 120.570 0.117 0.000 2.163 255 I HA -0.171 3.999 4.170 0.000 0.000 0.243 255 I C 2.666 178.939 176.117 0.261 0.000 1.085 255 I CA 1.283 62.662 61.300 0.132 0.000 1.347 255 I CB -0.759 37.307 38.000 0.111 0.000 1.044 255 I HN 0.377 nan 8.210 nan 0.000 0.408 256 G N -0.011 108.948 108.800 0.265 0.000 2.408 256 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 256 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 256 G C 1.488 176.590 174.900 0.337 0.000 1.150 256 G CA 0.407 45.719 45.100 0.353 0.000 0.776 256 G HN 0.407 nan 8.290 nan 0.000 0.542 257 E N -0.817 119.510 120.200 0.211 0.000 2.265 257 E HA -0.124 4.226 4.350 0.000 0.000 0.196 257 E C 1.871 178.531 176.600 0.100 0.000 0.996 257 E CA 0.371 56.853 56.400 0.137 0.000 0.832 257 E CB -0.154 29.603 29.700 0.096 0.000 0.756 257 E HN 0.696 nan 8.360 nan 0.000 0.491 258 W N 0.347 121.610 121.300 -0.062 0.000 2.358 258 W HA -0.186 4.474 4.660 0.000 0.000 0.303 258 W C 1.324 177.687 176.519 -0.261 0.000 1.208 258 W CA 1.377 58.589 57.345 -0.222 0.000 1.274 258 W CB -0.233 28.991 29.460 -0.392 0.000 1.138 258 W HN -0.025 nan 8.180 nan 0.000 0.515 259 F N 0.371 120.384 119.950 0.105 0.000 2.084 259 F HA -0.108 4.419 4.527 0.000 0.000 0.296 259 F C 2.772 178.441 175.800 -0.218 0.000 1.111 259 F CA 2.163 60.114 58.000 -0.082 0.000 1.224 259 F CB -1.406 37.667 39.000 0.122 0.000 0.991 259 F HN -0.225 nan 8.300 nan 0.000 0.471 260 R N 0.752 121.299 120.500 0.078 0.000 2.096 260 R HA -0.203 4.137 4.340 0.000 0.000 0.240 260 R C 1.592 177.811 176.300 -0.136 0.000 1.139 260 R CA 2.268 58.350 56.100 -0.029 0.000 0.952 260 R CB -0.566 29.750 30.300 0.027 0.000 0.854 260 R HN 0.200 nan 8.270 nan 0.000 0.436 261 D N 0.089 120.376 120.400 -0.189 0.000 2.310 261 D HA -0.074 4.566 4.640 0.000 0.000 0.212 261 D C 0.288 176.403 176.300 -0.309 0.000 0.965 261 D CA 0.796 54.664 54.000 -0.220 0.000 0.879 261 D CB -0.107 40.566 40.800 -0.211 0.000 0.921 261 D HN 0.247 nan 8.370 nan 0.000 0.510 262 N N 0.016 118.444 118.700 -0.453 0.000 2.538 262 N HA 0.175 4.915 4.740 0.000 0.000 0.291 262 N C 0.742 176.059 175.510 -0.322 0.000 1.323 262 N CA 0.045 52.804 53.050 -0.485 0.000 0.934 262 N CB 1.099 39.036 38.487 -0.917 0.000 1.255 262 N HN 0.044 nan 8.380 nan 0.000 0.509 263 G N 1.028 109.684 108.800 -0.240 0.000 2.233 263 G HA2 -0.336 3.624 3.960 0.000 0.000 0.270 263 G HA3 -0.336 3.624 3.960 0.000 0.000 0.270 263 G C 0.218 174.968 174.900 -0.249 0.000 1.011 263 G CA 0.919 45.898 45.100 -0.200 0.000 0.762 263 G HN 0.372 nan 8.290 nan 0.000 0.511 264 K N -0.871 119.369 120.400 -0.268 0.000 2.312 264 K HA 0.734 5.054 4.320 0.000 0.000 0.236 264 K C -0.267 176.082 176.600 -0.419 0.000 1.079 264 K CA -1.027 55.129 56.287 -0.218 0.000 0.900 264 K CB 1.133 33.738 32.500 0.175 0.000 1.297 264 K HN 0.296 nan 8.250 nan 0.000 0.498 265 H N -0.418 118.747 119.070 0.159 0.000 2.609 265 H HA 0.572 5.128 4.556 0.000 0.000 0.344 265 H C -1.140 174.215 175.328 0.045 0.000 1.040 265 H CA -0.833 55.252 56.048 0.063 0.000 1.216 265 H CB 1.931 31.668 29.762 -0.041 0.000 1.529 265 H HN 0.677 nan 8.280 nan 0.000 0.519 266 A N 2.941 125.836 122.820 0.126 0.000 2.413 266 A HA 0.593 4.913 4.320 0.000 0.000 0.307 266 A C -1.321 176.270 177.584 0.011 0.000 1.087 266 A CA -0.717 51.332 52.037 0.019 0.000 0.750 266 A CB 1.973 21.003 19.000 0.049 0.000 1.296 266 A HN 0.494 nan 8.150 nan 0.000 0.423 267 L N 1.822 123.029 121.223 -0.026 0.000 2.356 267 L HA 0.779 5.119 4.340 0.000 0.000 0.277 267 L C -1.178 175.647 176.870 -0.075 0.000 0.996 267 L CA -0.378 54.435 54.840 -0.045 0.000 0.822 267 L CB 1.298 43.333 42.059 -0.039 0.000 1.256 267 L HN 0.687 nan 8.230 nan 0.000 0.413 268 I N 5.317 125.794 120.570 -0.156 0.000 2.406 268 I HA 0.531 4.701 4.170 0.000 0.000 0.290 268 I C -1.142 174.705 176.117 -0.450 0.000 0.999 268 I CA -0.727 60.380 61.300 -0.321 0.000 1.124 268 I CB 1.736 39.473 38.000 -0.438 0.000 1.289 268 I HN 0.413 nan 8.210 nan 0.000 0.441 269 V N 8.262 127.939 119.914 -0.396 0.000 2.347 269 V HA 0.265 4.385 4.120 0.000 0.000 0.280 269 V C -1.000 174.781 176.094 -0.523 0.000 1.021 269 V CA -0.416 61.676 62.300 -0.347 0.000 0.847 269 V CB 0.881 32.664 31.823 -0.066 0.000 0.990 269 V HN 0.463 nan 8.190 nan 0.000 0.444 270 Y N 2.666 122.833 120.300 -0.223 0.000 2.518 270 Y HA 0.459 5.009 4.550 0.000 0.000 0.344 270 Y C 0.339 176.085 175.900 -0.256 0.000 0.982 270 Y CA -0.954 56.986 58.100 -0.267 0.000 1.234 270 Y CB 0.668 38.977 38.460 -0.251 0.000 1.114 270 Y HN 0.527 nan 8.280 nan 0.000 0.515 271 D N 3.599 123.882 120.400 -0.194 0.000 2.432 271 D HA 0.207 4.847 4.640 0.000 0.000 0.265 271 D C -1.317 174.922 176.300 -0.102 0.000 1.160 271 D CA -0.412 53.497 54.000 -0.152 0.000 0.911 271 D CB 0.269 40.934 40.800 -0.224 0.000 1.052 271 D HN 0.708 nan 8.370 nan 0.000 0.508 272 D N 0.297 120.668 120.400 -0.049 0.000 2.570 272 D HA 0.233 4.873 4.640 0.000 0.000 0.244 272 D C 0.939 177.207 176.300 -0.054 0.000 1.178 272 D CA -0.748 53.224 54.000 -0.047 0.000 0.881 272 D CB 1.160 41.941 40.800 -0.030 0.000 1.453 272 D HN 0.027 nan 8.370 nan 0.000 0.447 273 L N 0.285 121.439 121.223 -0.115 0.000 2.156 273 L HA -0.089 4.251 4.340 0.000 0.000 0.208 273 L C 1.977 178.843 176.870 -0.008 0.000 1.095 273 L CA 0.876 55.614 54.840 -0.170 0.000 0.770 273 L CB -0.532 41.220 42.059 -0.512 0.000 0.914 273 L HN 0.487 nan 8.230 nan 0.000 0.439 274 S N 0.370 116.064 115.700 -0.010 0.000 2.368 274 S HA -0.251 4.219 4.470 0.000 0.000 0.226 274 S C 1.930 176.594 174.600 0.107 0.000 1.044 274 S CA 1.652 59.886 58.200 0.056 0.000 1.062 274 S CB -0.165 63.061 63.200 0.043 0.000 0.931 274 S HN 0.418 nan 8.310 nan 0.000 0.440 275 K N 0.779 121.227 120.400 0.080 0.000 2.103 275 K HA -0.029 4.291 4.320 0.000 0.000 0.204 275 K C 2.479 179.153 176.600 0.123 0.000 1.052 275 K CA 0.726 57.071 56.287 0.097 0.000 0.945 275 K CB -0.160 32.380 32.500 0.067 0.000 0.722 275 K HN 0.351 nan 8.250 nan 0.000 0.443 276 Q N 0.968 120.834 119.800 0.110 0.000 2.096 276 Q HA -0.181 4.159 4.340 0.000 0.000 0.204 276 Q C 2.044 178.174 176.000 0.216 0.000 0.982 276 Q CA 1.715 57.605 55.803 0.144 0.000 0.850 276 Q CB -0.118 28.668 28.738 0.080 0.000 0.901 276 Q HN 0.326 nan 8.270 nan 0.000 0.422 277 A N -0.004 122.942 122.820 0.211 0.000 1.972 277 A HA -0.127 4.193 4.320 0.000 0.000 0.219 277 A C 2.214 180.033 177.584 0.392 0.000 1.169 277 A CA 1.451 53.616 52.037 0.213 0.000 0.635 277 A CB -0.612 18.420 19.000 0.052 0.000 0.810 277 A HN 0.307 nan 8.150 nan 0.000 0.446 278 V N -0.291 119.817 119.914 0.324 0.000 2.307 278 V HA -0.236 3.885 4.120 0.000 0.000 0.245 278 V C 3.067 179.278 176.094 0.195 0.000 1.045 278 V CA 1.872 64.336 62.300 0.272 0.000 1.024 278 V CB -1.135 30.801 31.823 0.188 0.000 0.651 278 V HN 0.621 nan 8.190 nan 0.000 0.449 279 A N -0.962 121.974 122.820 0.194 0.000 1.908 279 A HA -0.304 4.016 4.320 0.000 0.000 0.218 279 A C 2.172 179.874 177.584 0.196 0.000 1.181 279 A CA 2.262 54.407 52.037 0.181 0.000 0.627 279 A CB -0.831 18.293 19.000 0.206 0.000 0.818 279 A HN 0.624 nan 8.150 nan 0.000 0.445 280 Y N 0.324 120.690 120.300 0.111 0.000 2.224 280 Y HA -0.175 4.375 4.550 0.000 0.000 0.289 280 Y C 2.503 178.420 175.900 0.028 0.000 1.146 280 Y CA 1.904 60.012 58.100 0.013 0.000 1.182 280 Y CB -0.363 38.129 38.460 0.053 0.000 0.983 280 Y HN 0.360 nan 8.280 nan 0.000 0.524 281 R N 0.197 120.753 120.500 0.092 0.000 2.092 281 R HA -0.221 4.119 4.340 0.000 0.000 0.231 281 R C 2.403 178.636 176.300 -0.111 0.000 1.119 281 R CA 1.696 57.775 56.100 -0.035 0.000 0.970 281 R CB -0.354 29.929 30.300 -0.029 0.000 0.864 281 R HN 0.545 nan 8.270 nan 0.000 0.440 282 Q N 0.585 120.352 119.800 -0.055 0.000 2.096 282 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 282 Q C 2.068 178.013 176.000 -0.091 0.000 0.982 282 Q CA 1.835 57.604 55.803 -0.055 0.000 0.850 282 Q CB -0.100 28.633 28.738 -0.007 0.000 0.901 282 Q HN 0.455 nan 8.270 nan 0.000 0.422 283 L N 0.005 121.149 121.223 -0.132 0.000 2.056 283 L HA -0.122 4.218 4.340 0.000 0.000 0.207 283 L C 2.576 179.317 176.870 -0.215 0.000 1.078 283 L CA 1.126 55.870 54.840 -0.160 0.000 0.749 283 L CB -0.410 41.529 42.059 -0.199 0.000 0.901 283 L HN 0.155 nan 8.230 nan 0.000 0.433 284 S N 0.273 115.774 115.700 -0.332 0.000 2.383 284 S HA -0.070 4.400 4.470 0.000 0.000 0.227 284 S C 2.006 176.507 174.600 -0.165 0.000 1.026 284 S CA 1.133 59.153 58.200 -0.299 0.000 0.981 284 S CB -0.262 62.706 63.200 -0.387 0.000 0.818 284 S HN 0.264 nan 8.310 nan 0.000 0.472 285 L N 0.926 122.064 121.223 -0.140 0.000 2.056 285 L HA -0.008 4.332 4.340 0.000 0.000 0.207 285 L C 2.124 178.949 176.870 -0.076 0.000 1.078 285 L CA 0.960 55.742 54.840 -0.097 0.000 0.749 285 L CB -0.567 41.437 42.059 -0.092 0.000 0.901 285 L HN 0.250 nan 8.230 nan 0.000 0.433 286 L N -0.552 120.627 121.223 -0.075 0.000 2.275 286 L HA -0.155 4.185 4.340 0.000 0.000 0.215 286 L C 2.093 178.936 176.870 -0.046 0.000 1.119 286 L CA 0.792 55.601 54.840 -0.052 0.000 0.790 286 L CB -0.253 41.781 42.059 -0.042 0.000 0.919 286 L HN 0.275 nan 8.230 nan 0.000 0.443 287 L N -0.633 120.554 121.223 -0.060 0.000 2.599 287 L HA 0.068 4.408 4.340 0.000 0.000 0.230 287 L C 0.738 177.583 176.870 -0.040 0.000 1.141 287 L CA 0.135 54.947 54.840 -0.046 0.000 0.877 287 L CB -0.137 41.887 42.059 -0.059 0.000 1.009 287 L HN 0.240 nan 8.230 nan 0.000 0.447 288 R N 0.086 120.558 120.500 -0.046 0.000 3.656 288 R HA -0.151 4.189 4.340 0.000 0.000 0.297 288 R C -0.052 176.227 176.300 -0.035 0.000 1.166 288 R CA 0.357 56.435 56.100 -0.037 0.000 0.799 288 R CB -1.573 28.713 30.300 -0.024 0.000 1.285 288 R HN 0.394 nan 8.270 nan 0.000 0.477 289 R N 0.854 121.325 120.500 -0.048 0.000 2.582 289 R HA 0.216 4.556 4.340 0.000 0.000 0.271 289 R C -2.107 174.174 176.300 -0.032 0.000 1.078 289 R CA -1.648 54.429 56.100 -0.037 0.000 1.127 289 R CB 0.257 30.529 30.300 -0.047 0.000 1.038 289 R HN -0.129 nan 8.270 nan 0.000 0.500 290 P HA 0.056 nan 4.420 nan 0.000 0.267 290 P C -2.338 174.953 177.300 -0.015 0.000 1.205 290 P CA -0.773 62.319 63.100 -0.014 0.000 0.765 290 P CB 0.214 31.912 31.700 -0.003 0.000 0.828 291 P HA 0.384 nan 4.420 nan 0.000 0.290 291 P C -0.180 177.102 177.300 -0.030 0.000 1.275 291 P CA -0.218 62.862 63.100 -0.032 0.000 0.841 291 P CB 1.975 33.643 31.700 -0.054 0.000 1.042 292 G N 1.474 110.255 108.800 -0.031 0.000 3.211 292 G HA2 0.367 4.327 3.960 0.000 0.000 0.167 292 G HA3 0.367 4.327 3.960 0.000 0.000 0.167 292 G C -0.640 174.200 174.900 -0.099 0.000 1.212 292 G CA -0.942 44.121 45.100 -0.061 0.000 0.928 292 G HN 0.588 nan 8.290 nan 0.000 0.607 293 R N 0.608 120.999 120.500 -0.181 0.000 2.494 293 R HA 0.048 4.388 4.340 0.000 0.000 0.291 293 R C 0.108 176.345 176.300 -0.105 0.000 0.953 293 R CA 1.244 57.225 56.100 -0.197 0.000 1.098 293 R CB -0.332 29.748 30.300 -0.365 0.000 0.911 293 R HN 0.708 nan 8.270 nan 0.000 0.407 294 E N 2.494 122.671 120.200 -0.038 0.000 2.883 294 E HA -0.329 4.021 4.350 0.000 0.000 0.271 294 E C 0.252 176.739 176.600 -0.187 0.000 1.049 294 E CA 0.515 56.905 56.400 -0.017 0.000 0.817 294 E CB -1.286 28.524 29.700 0.183 0.000 1.407 294 E HN 0.908 nan 8.360 nan 0.000 0.434 295 A N -1.982 120.748 122.820 -0.149 0.000 2.829 295 A HA -0.297 4.023 4.320 0.000 0.000 0.267 295 A C 0.004 177.445 177.584 -0.238 0.000 1.370 295 A CA 1.807 53.734 52.037 -0.183 0.000 0.900 295 A CB -2.095 16.788 19.000 -0.195 0.000 1.044 295 A HN 0.427 nan 8.150 nan 0.000 0.691 296 Y N 0.238 120.546 120.300 0.014 0.000 2.336 296 Y HA 0.455 5.005 4.550 0.000 0.000 0.331 296 Y C -1.254 174.681 175.900 0.058 0.000 1.211 296 Y CA -1.303 56.848 58.100 0.085 0.000 1.346 296 Y CB 0.345 38.957 38.460 0.253 0.000 1.271 296 Y HN 0.256 nan 8.280 nan 0.000 0.538 297 P HA 0.079 nan 4.420 nan 0.000 0.276 297 P C 0.560 178.004 177.300 0.241 0.000 1.244 297 P CA -0.262 62.936 63.100 0.164 0.000 0.801 297 P CB 0.977 32.734 31.700 0.095 0.000 1.006 298 G N 1.190 110.097 108.800 0.177 0.000 2.653 298 G HA2 -0.187 3.773 3.960 0.000 0.000 0.212 298 G HA3 -0.187 3.773 3.960 0.000 0.000 0.212 298 G C 0.426 175.477 174.900 0.252 0.000 1.138 298 G CA 0.450 45.664 45.100 0.190 0.000 0.782 298 G HN 0.631 nan 8.290 nan 0.000 0.535 299 D N -0.998 119.593 120.400 0.319 0.000 2.535 299 D HA 0.087 4.727 4.640 0.000 0.000 0.229 299 D C 1.603 178.128 176.300 0.374 0.000 1.238 299 D CA -0.429 53.800 54.000 0.381 0.000 0.824 299 D CB -0.146 40.909 40.800 0.425 0.000 1.045 299 D HN 0.030 nan 8.370 nan 0.000 0.500 300 V N -0.078 120.051 119.914 0.359 0.000 2.407 300 V HA -0.144 3.976 4.120 0.000 0.000 0.248 300 V C 1.832 177.941 176.094 0.024 0.000 1.055 300 V CA 1.463 63.874 62.300 0.186 0.000 1.049 300 V CB -0.639 31.312 31.823 0.214 0.000 0.662 300 V HN 0.234 nan 8.190 nan 0.000 0.455 301 F N -0.029 119.928 119.950 0.012 0.000 2.075 301 F HA -0.233 4.294 4.527 0.000 0.000 0.297 301 F C 2.217 178.066 175.800 0.081 0.000 1.113 301 F CA 2.393 60.387 58.000 -0.009 0.000 1.218 301 F CB -0.704 38.307 39.000 0.019 0.000 0.984 301 F HN 0.354 nan 8.300 nan 0.000 0.472 302 Y N 0.829 121.251 120.300 0.204 0.000 2.193 302 Y HA -0.278 4.272 4.550 0.000 0.000 0.285 302 Y C 2.192 178.069 175.900 -0.039 0.000 1.166 302 Y CA 1.789 59.946 58.100 0.094 0.000 1.181 302 Y CB -1.103 37.440 38.460 0.138 0.000 0.976 302 Y HN 0.262 nan 8.280 nan 0.000 0.520 303 L N -0.209 120.926 121.223 -0.146 0.000 1.990 303 L HA -0.297 4.043 4.340 0.000 0.000 0.213 303 L C 2.340 179.111 176.870 -0.165 0.000 1.072 303 L CA 2.529 57.206 54.840 -0.272 0.000 0.755 303 L CB -0.840 40.947 42.059 -0.455 0.000 0.889 303 L HN 0.360 nan 8.230 nan 0.000 0.432 304 H N -1.903 117.013 119.070 -0.257 0.000 2.502 304 H HA -0.019 4.537 4.556 0.000 0.000 0.283 304 H C 2.258 177.368 175.328 -0.363 0.000 1.015 304 H CA 0.697 56.536 56.048 -0.349 0.000 1.298 304 H CB 0.168 29.702 29.762 -0.379 0.000 1.411 304 H HN 0.543 nan 8.280 nan 0.000 0.556 305 S N 0.509 116.044 115.700 -0.274 0.000 2.406 305 S HA -0.056 4.414 4.470 0.000 0.000 0.224 305 S C 1.968 176.521 174.600 -0.079 0.000 1.030 305 S CA 0.136 58.193 58.200 -0.239 0.000 0.958 305 S CB 0.057 63.075 63.200 -0.302 0.000 0.811 305 S HN 0.292 nan 8.310 nan 0.000 0.489 306 R N 0.469 120.938 120.500 -0.051 0.000 2.083 306 R HA -0.011 4.330 4.340 0.000 0.000 0.237 306 R C 2.382 178.710 176.300 0.047 0.000 1.137 306 R CA 1.557 57.652 56.100 -0.009 0.000 0.951 306 R CB -0.698 29.528 30.300 -0.123 0.000 0.851 306 R HN 0.436 nan 8.270 nan 0.000 0.434 307 L N 0.902 122.136 121.223 0.018 0.000 1.994 307 L HA -0.147 4.193 4.340 0.000 0.000 0.208 307 L C 1.989 178.771 176.870 -0.147 0.000 1.071 307 L CA 1.714 56.459 54.840 -0.159 0.000 0.745 307 L CB -0.274 41.437 42.059 -0.579 0.000 0.892 307 L HN 0.121 nan 8.230 nan 0.000 0.431 308 L N -0.822 120.307 121.223 -0.156 0.000 2.179 308 L HA -0.053 4.287 4.340 0.000 0.000 0.208 308 L C 2.373 179.226 176.870 -0.029 0.000 1.096 308 L CA 0.478 55.259 54.840 -0.099 0.000 0.779 308 L CB -0.600 41.373 42.059 -0.145 0.000 0.922 308 L HN 0.259 nan 8.230 nan 0.000 0.443 309 E N 0.480 120.667 120.200 -0.021 0.000 2.409 309 E HA -0.155 4.195 4.350 0.000 0.000 0.198 309 E C 1.964 178.580 176.600 0.027 0.000 1.024 309 E CA 0.555 56.960 56.400 0.009 0.000 0.861 309 E CB -0.075 29.639 29.700 0.022 0.000 0.788 309 E HN 0.461 nan 8.360 nan 0.000 0.521 310 R N 0.533 121.053 120.500 0.033 0.000 2.316 310 R HA 0.061 4.401 4.340 0.000 0.000 0.202 310 R C 0.761 177.095 176.300 0.057 0.000 1.029 310 R CA 0.336 56.467 56.100 0.052 0.000 1.018 310 R CB 0.121 30.463 30.300 0.070 0.000 0.888 310 R HN -0.061 nan 8.270 nan 0.000 0.471 311 A N 0.929 123.780 122.820 0.052 0.000 2.328 311 A HA 0.697 5.017 4.320 0.000 0.000 0.284 311 A C -0.368 177.239 177.584 0.037 0.000 1.160 311 A CA -0.123 51.943 52.037 0.048 0.000 0.818 311 A CB 0.828 19.855 19.000 0.045 0.000 1.087 311 A HN 0.255 nan 8.150 nan 0.000 0.504 312 A N 1.870 124.713 122.820 0.039 0.000 2.567 312 A HA 0.678 4.998 4.320 0.000 0.000 0.291 312 A C -1.096 176.515 177.584 0.045 0.000 1.048 312 A CA -0.697 51.363 52.037 0.037 0.000 0.661 312 A CB 1.026 20.047 19.000 0.034 0.000 1.288 312 A HN 0.900 nan 8.150 nan 0.000 0.424 313 K N 1.646 122.075 120.400 0.048 0.000 2.464 313 K HA 0.650 4.970 4.320 0.000 0.000 0.252 313 K C -1.109 175.524 176.600 0.055 0.000 1.000 313 K CA -0.329 55.997 56.287 0.065 0.000 0.951 313 K CB 0.049 32.596 32.500 0.078 0.000 1.183 313 K HN 0.613 nan 8.250 nan 0.000 0.445 314 L N 2.675 123.925 121.223 0.044 0.000 2.467 314 L HA 0.203 4.543 4.340 0.000 0.000 0.270 314 L C 0.761 177.648 176.870 0.029 0.000 1.205 314 L CA -0.324 54.530 54.840 0.024 0.000 0.828 314 L CB 0.770 42.829 42.059 0.000 0.000 1.101 314 L HN 0.820 nan 8.230 nan 0.000 0.479 315 S N 0.306 116.014 115.700 0.015 0.000 2.600 315 S HA 0.063 4.533 4.470 0.000 0.000 0.265 315 S C 0.842 175.446 174.600 0.006 0.000 1.325 315 S CA -0.582 57.623 58.200 0.009 0.000 1.002 315 S CB 0.969 64.169 63.200 0.000 0.000 0.921 315 S HN 0.683 nan 8.310 nan 0.000 0.554 316 E N 0.744 120.946 120.200 0.003 0.000 2.097 316 E HA -0.227 4.123 4.350 0.000 0.000 0.196 316 E C 1.980 178.576 176.600 -0.007 0.000 1.000 316 E CA 1.383 57.784 56.400 0.001 0.000 0.804 316 E CB -0.198 29.501 29.700 -0.003 0.000 0.740 316 E HN 0.717 nan 8.360 nan 0.000 0.454 317 K N 0.617 121.012 120.400 -0.009 0.000 2.089 317 K HA -0.194 4.126 4.320 0.000 0.000 0.210 317 K C 1.375 177.964 176.600 -0.018 0.000 1.048 317 K CA 1.308 57.588 56.287 -0.012 0.000 0.926 317 K CB 0.136 32.630 32.500 -0.011 0.000 0.714 317 K HN 0.010 nan 8.250 nan 0.000 0.448 318 E N -1.049 119.140 120.200 -0.019 0.000 2.437 318 E HA 0.057 4.407 4.350 0.000 0.000 0.189 318 E C 0.697 177.270 176.600 -0.044 0.000 1.054 318 E CA 0.612 56.994 56.400 -0.030 0.000 0.874 318 E CB 0.972 30.657 29.700 -0.025 0.000 1.011 318 E HN 0.599 nan 8.360 nan 0.000 0.474 319 G N 1.036 109.814 108.800 -0.038 0.000 2.176 319 G HA2 -0.335 3.625 3.960 0.000 0.000 0.232 319 G HA3 -0.335 3.625 3.960 0.000 0.000 0.232 319 G C 0.641 175.515 174.900 -0.043 0.000 0.986 319 G CA 0.260 45.330 45.100 -0.050 0.000 0.643 319 G HN 0.155 nan 8.290 nan 0.000 0.522 320 S N -1.739 113.953 115.700 -0.013 0.000 3.146 320 S HA -0.185 4.285 4.470 0.000 0.000 0.285 320 S C 1.857 176.459 174.600 0.004 0.000 1.293 320 S CA 1.669 59.887 58.200 0.030 0.000 1.137 320 S CB -1.562 61.679 63.200 0.069 0.000 1.357 320 S HN 2.266 nan 8.310 nan 0.000 0.678 321 G N 0.574 109.315 108.800 -0.098 0.000 2.664 321 G HA2 0.458 4.418 3.960 0.000 0.000 0.242 321 G HA3 0.458 4.418 3.960 0.000 0.000 0.242 321 G C -0.256 174.606 174.900 -0.063 0.000 1.225 321 G CA 0.536 45.507 45.100 -0.215 0.000 0.849 321 G HN 0.559 nan 8.290 nan 0.000 0.581 322 S N -1.002 114.675 115.700 -0.039 0.000 2.546 322 S HA 0.528 4.998 4.470 0.000 0.000 0.272 322 S C -1.454 173.213 174.600 0.111 0.000 1.140 322 S CA -0.573 57.714 58.200 0.144 0.000 0.920 322 S CB 1.390 64.876 63.200 0.476 0.000 1.083 322 S HN 0.707 nan 8.310 nan 0.000 0.476 323 L N 3.996 125.268 121.223 0.082 0.000 2.381 323 L HA 0.737 5.077 4.340 0.000 0.000 0.274 323 L C -0.801 176.093 176.870 0.039 0.000 0.988 323 L CA 0.228 55.109 54.840 0.068 0.000 0.824 323 L CB 2.094 44.197 42.059 0.074 0.000 1.263 323 L HN 0.642 nan 8.230 nan 0.000 0.410 324 T N 4.242 118.804 114.554 0.013 0.000 2.807 324 T HA 0.828 5.178 4.350 0.000 0.000 0.279 324 T C -0.513 174.163 174.700 -0.040 0.000 0.993 324 T CA -0.357 61.735 62.100 -0.013 0.000 0.970 324 T CB 1.515 70.365 68.868 -0.031 0.000 0.950 324 T HN 0.768 nan 8.240 nan 0.000 0.441 325 A N 3.438 126.241 122.820 -0.028 0.000 2.304 325 A HA 0.756 5.076 4.320 0.000 0.000 0.323 325 A C -0.340 177.216 177.584 -0.047 0.000 1.195 325 A CA -0.712 51.297 52.037 -0.047 0.000 0.826 325 A CB 0.438 19.485 19.000 0.078 0.000 1.184 325 A HN 0.882 nan 8.150 nan 0.000 0.496 326 L N 4.715 125.884 121.223 -0.090 0.000 2.504 326 L HA 0.301 4.641 4.340 0.000 0.000 0.249 326 L C -2.231 174.615 176.870 -0.040 0.000 1.120 326 L CA -1.779 53.024 54.840 -0.060 0.000 0.997 326 L CB 1.032 43.057 42.059 -0.056 0.000 1.349 326 L HN 0.491 nan 8.230 nan 0.000 0.439 327 P HA 0.064 nan 4.420 nan 0.000 0.271 327 P C -0.420 176.848 177.300 -0.053 0.000 1.216 327 P CA -0.019 63.106 63.100 0.042 0.000 0.776 327 P CB 1.677 33.349 31.700 -0.046 0.000 0.881 328 V N 4.736 124.614 119.914 -0.060 0.000 2.398 328 V HA 0.351 4.471 4.120 0.000 0.000 0.286 328 V C 0.496 176.532 176.094 -0.098 0.000 1.026 328 V CA -0.580 61.676 62.300 -0.073 0.000 0.868 328 V CB 1.490 33.288 31.823 -0.042 0.000 0.982 328 V HN 0.422 nan 8.190 nan 0.000 0.443 329 I N 3.501 124.007 120.570 -0.108 0.000 2.433 329 I HA 0.420 4.590 4.170 0.000 0.000 0.292 329 I C 0.122 176.205 176.117 -0.056 0.000 1.001 329 I CA -0.405 60.840 61.300 -0.093 0.000 1.119 329 I CB 2.012 39.940 38.000 -0.120 0.000 1.289 329 I HN 0.763 nan 8.210 nan 0.000 0.438 330 E N 4.887 125.075 120.200 -0.020 0.000 2.130 330 E HA 0.296 4.647 4.350 0.000 0.000 0.284 330 E C -0.387 176.230 176.600 0.029 0.000 1.018 330 E CA -0.420 55.984 56.400 0.007 0.000 0.817 330 E CB 0.945 30.657 29.700 0.020 0.000 1.078 330 E HN 0.687 nan 8.360 nan 0.000 0.396 331 T N 2.196 116.776 114.554 0.043 0.000 2.849 331 T HA 0.238 4.588 4.350 0.000 0.000 0.284 331 T C 0.044 174.786 174.700 0.071 0.000 1.004 331 T CA -0.954 61.188 62.100 0.071 0.000 1.021 331 T CB 1.298 70.231 68.868 0.108 0.000 1.013 331 T HN 0.331 nan 8.240 nan 0.000 0.527 332 Q N 0.726 120.572 119.800 0.077 0.000 2.372 332 Q HA 0.465 4.805 4.340 0.000 0.000 0.259 332 Q C 0.922 176.962 176.000 0.068 0.000 0.993 332 Q CA 0.078 55.923 55.803 0.069 0.000 0.854 332 Q CB 0.994 29.776 28.738 0.072 0.000 1.231 332 Q HN 1.294 nan 8.270 nan 0.000 0.462 333 G N 1.811 110.648 108.800 0.061 0.000 2.246 333 G HA2 -0.224 3.736 3.960 0.000 0.000 0.273 333 G HA3 -0.224 3.736 3.960 0.000 0.000 0.273 333 G C 0.794 175.730 174.900 0.060 0.000 1.055 333 G CA 0.709 45.843 45.100 0.057 0.000 0.851 333 G HN 1.232 nan 8.290 nan 0.000 0.500 334 G N -0.756 108.088 108.800 0.074 0.000 2.166 334 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 334 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 334 G C 0.309 175.264 174.900 0.093 0.000 0.986 334 G CA 1.019 46.169 45.100 0.083 0.000 0.683 334 G HN 1.409 nan 8.290 nan 0.000 0.527 335 D N 0.749 121.205 120.400 0.093 0.000 2.470 335 D HA 0.348 4.988 4.640 0.000 0.000 0.226 335 D C 1.876 178.249 176.300 0.121 0.000 1.196 335 D CA 0.280 54.336 54.000 0.094 0.000 0.979 335 D CB 0.462 41.312 40.800 0.084 0.000 1.059 335 D HN 0.605 nan 8.370 nan 0.000 0.515 336 V N 1.214 121.217 119.914 0.149 0.000 3.444 336 V HA 0.013 4.133 4.120 0.000 0.000 0.271 336 V C 1.234 177.405 176.094 0.129 0.000 1.188 336 V CA 0.792 63.200 62.300 0.180 0.000 1.168 336 V CB -0.240 31.767 31.823 0.305 0.000 0.810 336 V HN 0.294 nan 8.190 nan 0.000 0.500 337 S N 0.362 116.129 115.700 0.111 0.000 2.539 337 S HA 0.605 5.075 4.470 0.000 0.000 0.221 337 S C 1.231 175.906 174.600 0.125 0.000 0.987 337 S CA 0.250 58.513 58.200 0.106 0.000 0.929 337 S CB 0.242 63.496 63.200 0.090 0.000 0.832 337 S HN 0.891 nan 8.310 nan 0.000 0.492 338 A N 0.750 123.647 122.820 0.128 0.000 2.475 338 A HA 0.273 4.593 4.320 0.000 0.000 0.239 338 A C 0.896 178.601 177.584 0.201 0.000 1.087 338 A CA 0.002 52.137 52.037 0.163 0.000 0.779 338 A CB -0.174 18.917 19.000 0.151 0.000 1.036 338 A HN 0.349 nan 8.150 nan 0.000 0.506 339 Y N 0.881 121.239 120.300 0.096 0.000 2.097 339 Y HA -0.211 4.339 4.550 0.000 0.000 0.282 339 Y C 1.968 177.882 175.900 0.023 0.000 1.152 339 Y CA 2.225 60.369 58.100 0.074 0.000 1.136 339 Y CB -0.151 38.378 38.460 0.114 0.000 0.975 339 Y HN 0.500 nan 8.280 nan 0.000 0.498 340 I N 0.465 120.979 120.570 -0.094 0.000 2.179 340 I HA -0.187 3.983 4.170 0.000 0.000 0.242 340 I C -0.390 175.660 176.117 -0.111 0.000 1.088 340 I CA 1.333 62.508 61.300 -0.209 0.000 1.357 340 I CB -2.767 35.134 38.000 -0.164 0.000 1.051 340 I HN 0.159 nan 8.210 nan 0.000 0.409 341 P HA -0.128 nan 4.420 nan 0.000 0.216 341 P C 1.828 179.119 177.300 -0.015 0.000 1.153 341 P CA 1.800 64.886 63.100 -0.023 0.000 0.858 341 P CB -0.156 31.563 31.700 0.031 0.000 0.789 342 T N -0.620 113.935 114.554 0.002 0.000 2.652 342 T HA -0.160 4.190 4.350 0.000 0.000 0.267 342 T C 1.608 176.318 174.700 0.018 0.000 1.039 342 T CA 1.645 63.760 62.100 0.025 0.000 1.153 342 T CB -1.044 67.860 68.868 0.060 0.000 0.863 342 T HN 0.117 nan 8.240 nan 0.000 0.428 343 N N 1.030 119.707 118.700 -0.038 0.000 2.018 343 N HA -0.105 4.636 4.740 0.000 0.000 0.196 343 N C 2.012 177.526 175.510 0.007 0.000 1.043 343 N CA 1.153 54.251 53.050 0.081 0.000 0.856 343 N CB -1.048 37.416 38.487 -0.039 0.000 1.042 343 N HN 0.224 nan 8.380 nan 0.000 0.423 344 V N 1.600 121.463 119.914 -0.086 0.000 2.407 344 V HA -0.149 3.971 4.120 0.000 0.000 0.248 344 V C 2.308 178.342 176.094 -0.099 0.000 1.055 344 V CA 1.089 63.299 62.300 -0.151 0.000 1.049 344 V CB -0.520 31.166 31.823 -0.229 0.000 0.662 344 V HN 0.225 nan 8.190 nan 0.000 0.455 345 I N 1.418 121.952 120.570 -0.060 0.000 2.163 345 I HA -0.277 3.893 4.170 0.000 0.000 0.243 345 I C 2.679 178.801 176.117 0.008 0.000 1.085 345 I CA 2.087 63.368 61.300 -0.032 0.000 1.347 345 I CB -0.491 37.510 38.000 0.001 0.000 1.044 345 I HN 0.498 nan 8.210 nan 0.000 0.408 346 S N 0.571 116.303 115.700 0.054 0.000 2.428 346 S HA -0.050 4.420 4.470 0.000 0.000 0.230 346 S C 1.927 176.577 174.600 0.083 0.000 1.014 346 S CA 0.681 58.935 58.200 0.091 0.000 0.957 346 S CB -0.667 62.623 63.200 0.150 0.000 0.784 346 S HN 0.411 nan 8.310 nan 0.000 0.499 347 I N 2.400 122.989 120.570 0.031 0.000 2.286 347 I HA -0.071 4.099 4.170 0.000 0.000 0.245 347 I C 1.794 177.891 176.117 -0.033 0.000 1.104 347 I CA 1.043 62.323 61.300 -0.032 0.000 1.397 347 I CB -0.838 37.051 38.000 -0.184 0.000 1.072 347 I HN 0.452 nan 8.210 nan 0.000 0.417 348 T N -2.121 112.405 114.554 -0.047 0.000 2.732 348 T HA 0.051 4.401 4.350 0.000 0.000 0.287 348 T C 0.584 175.274 174.700 -0.016 0.000 0.993 348 T CA -0.411 61.664 62.100 -0.042 0.000 0.966 348 T CB 0.757 69.587 68.868 -0.063 0.000 1.047 348 T HN 0.057 nan 8.240 nan 0.000 0.527 349 D N -0.181 120.209 120.400 -0.015 0.000 2.349 349 D HA 0.334 4.975 4.640 0.000 0.000 0.214 349 D C 0.914 177.212 176.300 -0.003 0.000 1.063 349 D CA 0.456 54.454 54.000 -0.003 0.000 0.847 349 D CB 0.449 41.247 40.800 -0.003 0.000 0.933 349 D HN 0.886 nan 8.370 nan 0.000 0.513 350 G N 0.114 108.906 108.800 -0.013 0.000 2.313 350 G HA2 0.336 4.296 3.960 0.000 0.000 0.296 350 G HA3 0.336 4.296 3.960 0.000 0.000 0.296 350 G C -1.916 172.962 174.900 -0.038 0.000 1.356 350 G CA -0.786 44.308 45.100 -0.009 0.000 0.833 350 G HN -0.065 nan 8.290 nan 0.000 0.552 351 Q N -0.721 119.060 119.800 -0.031 0.000 2.289 351 Q HA 0.662 5.002 4.340 0.000 0.000 0.270 351 Q C -0.792 175.171 176.000 -0.061 0.000 1.038 351 Q CA -0.337 55.404 55.803 -0.103 0.000 0.812 351 Q CB 2.693 31.345 28.738 -0.143 0.000 1.300 351 Q HN 0.588 nan 8.270 nan 0.000 0.427 352 I N 2.455 122.961 120.570 -0.107 0.000 2.330 352 I HA 0.381 4.551 4.170 0.000 0.000 0.289 352 I C -0.947 175.123 176.117 -0.078 0.000 1.001 352 I CA -0.564 60.717 61.300 -0.032 0.000 1.193 352 I CB 0.681 38.671 38.000 -0.017 0.000 1.345 352 I HN 0.462 nan 8.210 nan 0.000 0.461 353 F N 7.188 127.143 119.950 0.008 0.000 2.361 353 F HA 0.502 5.029 4.527 0.000 0.000 0.364 353 F C -0.256 175.550 175.800 0.011 0.000 1.117 353 F CA -0.469 57.536 58.000 0.009 0.000 1.071 353 F CB 0.979 39.986 39.000 0.012 0.000 1.188 353 F HN 0.186 nan 8.300 nan 0.000 0.464 354 L N 4.483 125.871 121.223 0.275 0.000 2.322 354 L HA 0.539 4.879 4.340 0.000 0.000 0.279 354 L C -0.454 176.511 176.870 0.160 0.000 1.036 354 L CA -0.500 54.440 54.840 0.167 0.000 0.807 354 L CB 1.608 43.716 42.059 0.083 0.000 1.226 354 L HN 0.485 nan 8.230 nan 0.000 0.433 355 E N 0.606 120.864 120.200 0.096 0.000 2.272 355 E HA 0.397 4.747 4.350 0.000 0.000 0.269 355 E C 0.030 176.633 176.600 0.006 0.000 0.877 355 E CA -0.568 55.865 56.400 0.055 0.000 0.755 355 E CB 2.232 31.955 29.700 0.038 0.000 1.192 355 E HN 0.686 nan 8.360 nan 0.000 0.422 356 A N 2.803 125.605 122.820 -0.030 0.000 1.908 356 A HA -0.231 4.089 4.320 0.000 0.000 0.218 356 A C 1.668 179.165 177.584 -0.145 0.000 1.181 356 A CA 1.590 53.538 52.037 -0.149 0.000 0.627 356 A CB -0.357 18.618 19.000 -0.042 0.000 0.818 356 A HN 0.711 nan 8.150 nan 0.000 0.445 357 E N -0.095 120.130 120.200 0.040 0.000 2.085 357 E HA -0.185 4.165 4.350 0.000 0.000 0.194 357 E C 1.992 178.637 176.600 0.074 0.000 0.994 357 E CA 1.233 57.704 56.400 0.119 0.000 0.801 357 E CB -0.389 29.372 29.700 0.101 0.000 0.743 357 E HN 0.665 nan 8.360 nan 0.000 0.453 358 L N 0.113 121.361 121.223 0.040 0.000 2.042 358 L HA -0.198 4.142 4.340 0.000 0.000 0.210 358 L C 2.479 179.359 176.870 0.016 0.000 1.076 358 L CA 1.128 55.990 54.840 0.037 0.000 0.749 358 L CB -0.489 41.596 42.059 0.043 0.000 0.893 358 L HN 0.086 nan 8.230 nan 0.000 0.432 359 F N 0.113 119.950 119.950 -0.189 0.000 2.069 359 F HA -0.308 4.219 4.527 0.000 0.000 0.298 359 F C 2.347 178.037 175.800 -0.184 0.000 1.113 359 F CA 1.737 59.585 58.000 -0.254 0.000 1.214 359 F CB -0.319 38.423 39.000 -0.431 0.000 0.978 359 F HN -0.025 nan 8.300 nan 0.000 0.474 360 Y N 0.100 120.541 120.300 0.235 0.000 2.509 360 Y HA -0.053 4.497 4.550 0.000 0.000 0.293 360 Y C 2.131 178.052 175.900 0.034 0.000 1.133 360 Y CA 0.676 58.855 58.100 0.131 0.000 1.283 360 Y CB -1.021 37.522 38.460 0.138 0.000 1.001 360 Y HN 0.043 nan 8.280 nan 0.000 0.555 361 K N -0.615 119.864 120.400 0.132 0.000 2.288 361 K HA 0.037 4.357 4.320 0.000 0.000 0.201 361 K C 1.538 178.139 176.600 0.001 0.000 1.048 361 K CA 0.916 57.243 56.287 0.066 0.000 0.956 361 K CB -0.252 32.281 32.500 0.055 0.000 0.746 361 K HN 0.489 nan 8.250 nan 0.000 0.461 362 G N 1.026 109.779 108.800 -0.078 0.000 2.179 362 G HA2 -0.175 3.785 3.960 0.000 0.000 0.220 362 G HA3 -0.175 3.785 3.960 0.000 0.000 0.220 362 G C 0.114 174.927 174.900 -0.146 0.000 0.990 362 G CA -0.453 44.565 45.100 -0.138 0.000 0.646 362 G HN 0.140 nan 8.290 nan 0.000 0.517 363 I N 1.740 122.244 120.570 -0.111 0.000 2.389 363 I HA 0.330 4.500 4.170 0.000 0.000 0.295 363 I C 0.601 176.643 176.117 -0.125 0.000 1.117 363 I CA 0.451 61.705 61.300 -0.077 0.000 1.317 363 I CB -0.025 37.965 38.000 -0.016 0.000 1.431 363 I HN 0.134 nan 8.210 nan 0.000 0.521 364 R N 7.488 127.910 120.500 -0.131 0.000 2.533 364 R HA 0.412 4.752 4.340 0.000 0.000 0.288 364 R C -2.647 173.618 176.300 -0.058 0.000 1.039 364 R CA -1.645 54.376 56.100 -0.131 0.000 0.909 364 R CB 2.468 32.600 30.300 -0.280 0.000 1.195 364 R HN 0.312 nan 8.270 nan 0.000 0.438 365 P HA -0.003 nan 4.420 nan 0.000 0.269 365 P C -0.427 176.898 177.300 0.042 0.000 1.215 365 P CA -0.201 62.914 63.100 0.025 0.000 0.780 365 P CB 0.793 32.508 31.700 0.025 0.000 0.898 366 A N 3.421 126.301 122.820 0.100 0.000 3.117 366 A HA 0.247 4.567 4.320 0.000 0.000 0.255 366 A C 0.664 178.301 177.584 0.087 0.000 1.583 366 A CA -0.424 51.673 52.037 0.100 0.000 1.234 366 A CB -1.474 17.636 19.000 0.184 0.000 1.076 366 A HN 0.438 nan 8.150 nan 0.000 0.653 367 I N 1.291 121.905 120.570 0.073 0.000 2.396 367 I HA 0.035 4.205 4.170 0.000 0.000 0.289 367 I C 0.510 176.678 176.117 0.085 0.000 1.056 367 I CA -0.418 60.934 61.300 0.087 0.000 1.365 367 I CB 0.601 38.644 38.000 0.071 0.000 1.407 367 I HN 0.350 nan 8.210 nan 0.000 0.509 368 N N 6.651 125.413 118.700 0.104 0.000 2.402 368 N HA 0.037 4.777 4.740 0.000 0.000 0.259 368 N C 0.761 176.316 175.510 0.076 0.000 1.167 368 N CA 0.117 53.206 53.050 0.066 0.000 0.949 368 N CB 1.269 39.762 38.487 0.010 0.000 1.212 368 N HN 0.429 nan 8.380 nan 0.000 0.493 369 V N 3.718 123.672 119.914 0.066 0.000 2.427 369 V HA -0.129 3.991 4.120 0.000 0.000 0.248 369 V C 2.346 178.475 176.094 0.058 0.000 1.051 369 V CA 2.112 64.453 62.300 0.068 0.000 1.048 369 V CB -0.842 31.023 31.823 0.070 0.000 0.666 369 V HN 0.751 nan 8.190 nan 0.000 0.456 370 G N -0.378 108.446 108.800 0.040 0.000 2.450 370 G HA2 -0.192 3.768 3.960 0.000 0.000 0.220 370 G HA3 -0.192 3.768 3.960 0.000 0.000 0.220 370 G C 1.529 176.440 174.900 0.019 0.000 1.130 370 G CA 0.872 45.986 45.100 0.023 0.000 0.760 370 G HN 0.500 nan 8.290 nan 0.000 0.557 371 L N 0.444 121.675 121.223 0.014 0.000 2.463 371 L HA 0.199 4.539 4.340 0.000 0.000 0.219 371 L C 0.969 177.946 176.870 0.177 0.000 1.088 371 L CA -0.146 54.709 54.840 0.024 0.000 0.849 371 L CB 0.156 42.101 42.059 -0.190 0.000 1.012 371 L HN -0.010 nan 8.230 nan 0.000 0.468 372 S N 0.577 116.387 115.700 0.184 0.000 2.565 372 S HA 0.410 4.880 4.470 0.000 0.000 0.276 372 S C -0.153 174.513 174.600 0.110 0.000 1.326 372 S CA -0.505 57.806 58.200 0.184 0.000 1.045 372 S CB 1.445 64.730 63.200 0.141 0.000 0.918 372 S HN 0.107 nan 8.310 nan 0.000 0.505 373 V N -0.091 119.876 119.914 0.088 0.000 3.078 373 V HA 0.869 4.989 4.120 0.000 0.000 0.311 373 V C -0.418 175.696 176.094 0.034 0.000 1.138 373 V CA -0.840 61.494 62.300 0.056 0.000 1.007 373 V CB 2.025 33.882 31.823 0.055 0.000 1.045 373 V HN 0.667 nan 8.190 nan 0.000 0.432 374 S N 0.903 116.618 115.700 0.026 0.000 2.733 374 S HA 0.473 4.943 4.470 0.000 0.000 0.307 374 S C 0.765 175.374 174.600 0.015 0.000 1.127 374 S CA -0.683 57.525 58.200 0.014 0.000 1.097 374 S CB 1.044 64.250 63.200 0.009 0.000 1.003 374 S HN 0.810 nan 8.310 nan 0.000 0.477 375 R N 2.592 123.101 120.500 0.014 0.000 2.159 375 R HA -0.064 4.276 4.340 0.000 0.000 0.237 375 R C 1.689 177.997 176.300 0.013 0.000 1.131 375 R CA 1.382 57.491 56.100 0.015 0.000 0.982 375 R CB -0.280 30.029 30.300 0.016 0.000 0.868 375 R HN 0.543 nan 8.270 nan 0.000 0.453 376 V N -0.125 119.795 119.914 0.009 0.000 2.323 376 V HA -0.043 4.077 4.120 0.000 0.000 0.244 376 V C 1.655 177.755 176.094 0.009 0.000 1.041 376 V CA 1.656 63.962 62.300 0.009 0.000 1.025 376 V CB -0.847 30.978 31.823 0.004 0.000 0.656 376 V HN 0.725 nan 8.190 nan 0.000 0.451 377 G N -0.071 108.734 108.800 0.008 0.000 2.509 377 G HA2 -0.355 3.605 3.960 0.000 0.000 0.259 377 G HA3 -0.355 3.605 3.960 0.000 0.000 0.259 377 G C 0.970 175.875 174.900 0.007 0.000 1.169 377 G CA 0.389 45.494 45.100 0.009 0.000 0.953 377 G HN 0.319 nan 8.290 nan 0.000 0.563 378 S N 0.655 116.361 115.700 0.010 0.000 2.365 378 S HA -0.074 4.396 4.470 0.000 0.000 0.225 378 S C 2.880 177.485 174.600 0.008 0.000 1.039 378 S CA 2.720 60.926 58.200 0.010 0.000 1.033 378 S CB -0.848 62.359 63.200 0.012 0.000 0.887 378 S HN 1.840 nan 8.310 nan 0.000 0.447 379 A N 0.827 123.656 122.820 0.014 0.000 2.093 379 A HA -0.032 4.288 4.320 0.000 0.000 0.222 379 A C 1.958 179.549 177.584 0.012 0.000 1.162 379 A CA 1.780 53.832 52.037 0.025 0.000 0.655 379 A CB -0.628 18.394 19.000 0.037 0.000 0.805 379 A HN 0.572 nan 8.150 nan 0.000 0.461 380 A N -1.880 120.934 122.820 -0.010 0.000 2.387 380 A HA 0.394 4.714 4.320 0.000 0.000 0.234 380 A C 0.747 178.301 177.584 -0.051 0.000 1.253 380 A CA 0.139 52.151 52.037 -0.043 0.000 0.894 380 A CB -0.039 18.937 19.000 -0.039 0.000 0.963 380 A HN 0.581 nan 8.150 nan 0.000 0.508 381 Q N -0.051 119.732 119.800 -0.030 0.000 2.266 381 Q HA 0.534 4.874 4.340 0.000 0.000 0.261 381 Q C -0.975 175.009 176.000 -0.026 0.000 0.985 381 Q CA -0.597 55.193 55.803 -0.023 0.000 0.873 381 Q CB 1.873 30.610 28.738 -0.003 0.000 1.306 381 Q HN 0.141 nan 8.270 nan 0.000 0.447 382 V N 4.441 124.341 119.914 -0.024 0.000 2.529 382 V HA -0.066 4.054 4.120 0.000 0.000 0.292 382 V C 1.383 177.478 176.094 0.003 0.000 1.028 382 V CA 0.422 62.712 62.300 -0.016 0.000 1.074 382 V CB 0.884 32.704 31.823 -0.005 0.000 0.958 382 V HN 0.899 nan 8.190 nan 0.000 0.481 383 K N 4.367 124.769 120.400 0.004 0.000 2.074 383 K HA -0.246 4.074 4.320 0.000 0.000 0.209 383 K C 2.088 178.702 176.600 0.023 0.000 1.048 383 K CA 1.846 58.141 56.287 0.013 0.000 0.926 383 K CB -0.208 32.299 32.500 0.012 0.000 0.713 383 K HN 0.864 nan 8.250 nan 0.000 0.444 384 A N 0.889 123.722 122.820 0.022 0.000 1.908 384 A HA -0.187 4.133 4.320 0.000 0.000 0.218 384 A C 2.017 179.629 177.584 0.046 0.000 1.181 384 A CA 1.479 53.534 52.037 0.029 0.000 0.627 384 A CB -0.631 18.382 19.000 0.021 0.000 0.818 384 A HN 0.353 nan 8.150 nan 0.000 0.445 385 L N 0.126 121.374 121.223 0.042 0.000 2.027 385 L HA -0.112 4.229 4.340 0.000 0.000 0.206 385 L C 2.365 179.268 176.870 0.055 0.000 1.074 385 L CA 2.616 57.487 54.840 0.052 0.000 0.745 385 L CB -0.709 41.375 42.059 0.042 0.000 0.898 385 L HN 0.523 nan 8.230 nan 0.000 0.433 386 K N -0.839 119.586 120.400 0.040 0.000 2.160 386 K HA -0.248 4.072 4.320 0.000 0.000 0.206 386 K C 1.899 178.528 176.600 0.048 0.000 1.047 386 K CA 1.787 58.097 56.287 0.038 0.000 0.930 386 K CB -0.118 32.397 32.500 0.026 0.000 0.720 386 K HN 0.549 nan 8.250 nan 0.000 0.450 387 Q N -0.018 119.816 119.800 0.057 0.000 2.291 387 Q HA -0.095 4.245 4.340 0.000 0.000 0.205 387 Q C 2.004 178.063 176.000 0.099 0.000 0.970 387 Q CA 1.475 57.321 55.803 0.070 0.000 0.876 387 Q CB 0.283 29.063 28.738 0.071 0.000 0.935 387 Q HN 0.414 nan 8.270 nan 0.000 0.455 388 V N -4.657 115.323 119.914 0.110 0.000 3.048 388 V HA 0.298 4.418 4.120 0.000 0.000 0.241 388 V C 2.016 178.170 176.094 0.100 0.000 1.129 388 V CA 0.706 63.084 62.300 0.131 0.000 1.128 388 V CB -0.447 31.487 31.823 0.184 0.000 0.849 388 V HN 0.110 nan 8.190 nan 0.000 0.475 389 A N 1.696 124.565 122.820 0.082 0.000 2.070 389 A HA 0.101 4.421 4.320 0.000 0.000 0.220 389 A C 2.277 179.894 177.584 0.054 0.000 1.159 389 A CA 1.789 53.867 52.037 0.067 0.000 0.656 389 A CB -1.346 17.687 19.000 0.054 0.000 0.800 389 A HN 0.720 nan 8.150 nan 0.000 0.453 390 G N 0.471 109.298 108.800 0.045 0.000 2.491 390 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 390 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 390 G C 1.911 176.813 174.900 0.004 0.000 1.180 390 G CA 1.820 46.933 45.100 0.022 0.000 0.774 390 G HN 0.901 nan 8.290 nan 0.000 0.562 391 S N 0.065 115.775 115.700 0.017 0.000 2.496 391 S HA 0.109 4.580 4.470 0.000 0.000 0.224 391 S C 2.141 176.767 174.600 0.042 0.000 0.996 391 S CA 0.882 59.059 58.200 -0.037 0.000 0.927 391 S CB -0.038 63.161 63.200 -0.001 0.000 0.774 391 S HN 0.217 nan 8.310 nan 0.000 0.524 392 L N 2.400 123.695 121.223 0.122 0.000 2.093 392 L HA 0.083 4.423 4.340 0.000 0.000 0.208 392 L C 2.396 179.334 176.870 0.114 0.000 1.085 392 L CA 1.913 56.852 54.840 0.164 0.000 0.755 392 L CB -0.675 41.450 42.059 0.110 0.000 0.904 392 L HN 0.361 nan 8.230 nan 0.000 0.435 393 K N -0.890 119.544 120.400 0.056 0.000 2.147 393 K HA -0.201 4.119 4.320 0.000 0.000 0.205 393 K C 2.058 178.669 176.600 0.019 0.000 1.049 393 K CA 1.585 57.895 56.287 0.040 0.000 0.936 393 K CB -0.215 32.298 32.500 0.022 0.000 0.722 393 K HN 0.336 nan 8.250 nan 0.000 0.446 394 L N 0.753 121.950 121.223 -0.044 0.000 1.961 394 L HA -0.053 4.287 4.340 0.000 0.000 0.209 394 L C 1.928 178.754 176.870 -0.075 0.000 1.075 394 L CA 1.665 56.430 54.840 -0.125 0.000 0.749 394 L CB -0.798 41.087 42.059 -0.289 0.000 0.890 394 L HN 0.103 nan 8.230 nan 0.000 0.433 395 F N -0.304 119.650 119.950 0.005 0.000 2.147 395 F HA -0.287 4.240 4.527 0.000 0.000 0.301 395 F C 2.361 178.189 175.800 0.047 0.000 1.084 395 F CA 1.655 59.658 58.000 0.005 0.000 1.268 395 F CB -0.933 38.047 39.000 -0.033 0.000 1.009 395 F HN 0.081 nan 8.300 nan 0.000 0.486 396 L N -1.277 120.081 121.223 0.225 0.000 2.179 396 L HA -0.112 4.228 4.340 0.000 0.000 0.208 396 L C 2.639 179.625 176.870 0.193 0.000 1.096 396 L CA 0.822 55.788 54.840 0.211 0.000 0.779 396 L CB -0.894 41.255 42.059 0.149 0.000 0.922 396 L HN 0.133 nan 8.230 nan 0.000 0.443 397 A N 0.069 122.958 122.820 0.114 0.000 1.845 397 A HA -0.270 4.050 4.320 0.000 0.000 0.215 397 A C 2.174 179.803 177.584 0.075 0.000 1.195 397 A CA 1.657 53.736 52.037 0.070 0.000 0.616 397 A CB -0.618 18.398 19.000 0.027 0.000 0.832 397 A HN 0.452 nan 8.150 nan 0.000 0.443 398 Q N -2.047 117.800 119.800 0.079 0.000 2.181 398 Q HA -0.235 4.106 4.340 0.000 0.000 0.205 398 Q C 1.942 178.019 176.000 0.129 0.000 0.980 398 Q CA 1.844 57.694 55.803 0.078 0.000 0.862 398 Q CB -0.397 28.384 28.738 0.072 0.000 0.905 398 Q HN 0.846 nan 8.270 nan 0.000 0.429 399 Y N 1.170 121.501 120.300 0.051 0.000 2.263 399 Y HA -0.099 4.451 4.550 0.000 0.000 0.292 399 Y C 1.979 177.904 175.900 0.042 0.000 1.130 399 Y CA 1.278 59.405 58.100 0.045 0.000 1.179 399 Y CB 0.051 38.540 38.460 0.049 0.000 0.998 399 Y HN -0.128 nan 8.280 nan 0.000 0.532 400 R N 0.225 120.681 120.500 -0.072 0.000 2.115 400 R HA -0.138 4.202 4.340 0.000 0.000 0.230 400 R C 2.103 178.331 176.300 -0.119 0.000 1.111 400 R CA 1.647 57.648 56.100 -0.165 0.000 0.976 400 R CB -0.192 30.084 30.300 -0.039 0.000 0.870 400 R HN 0.502 nan 8.270 nan 0.000 0.445 401 E N -0.147 120.025 120.200 -0.046 0.000 2.106 401 E HA -0.124 4.226 4.350 0.000 0.000 0.192 401 E C 1.341 177.961 176.600 0.034 0.000 0.984 401 E CA 1.132 57.529 56.400 -0.004 0.000 0.806 401 E CB 0.242 29.948 29.700 0.010 0.000 0.750 401 E HN 0.096 nan 8.360 nan 0.000 0.458 402 V N 0.527 120.444 119.914 0.005 0.000 3.621 402 V HA 0.136 4.256 4.120 0.000 0.000 0.285 402 V C 1.750 177.894 176.094 0.085 0.000 1.346 402 V CA 0.613 62.970 62.300 0.095 0.000 1.104 402 V CB 0.167 31.959 31.823 -0.051 0.000 0.913 402 V HN 0.226 nan 8.190 nan 0.000 0.432 403 A N 1.348 124.093 122.820 -0.126 0.000 1.903 403 A HA -0.265 4.055 4.320 0.000 0.000 0.219 403 A C 2.422 179.980 177.584 -0.043 0.000 1.191 403 A CA 2.420 54.314 52.037 -0.237 0.000 0.638 403 A CB -0.674 18.139 19.000 -0.312 0.000 0.823 403 A HN 0.646 nan 8.150 nan 0.000 0.451 404 A N -1.633 121.188 122.820 0.001 0.000 2.019 404 A HA -0.004 4.316 4.320 0.000 0.000 0.219 404 A C 1.704 179.256 177.584 -0.054 0.000 1.164 404 A CA 1.256 53.265 52.037 -0.047 0.000 0.644 404 A CB -0.791 18.143 19.000 -0.110 0.000 0.805 404 A HN 0.485 nan 8.150 nan 0.000 0.449 405 F N 0.476 120.403 119.950 -0.039 0.000 2.722 405 F HA 0.178 4.705 4.527 0.000 0.000 0.298 405 F C 1.736 177.532 175.800 -0.006 0.000 1.175 405 F CA -0.011 57.978 58.000 -0.018 0.000 1.462 405 F CB -0.662 38.332 39.000 -0.011 0.000 1.111 405 F HN 0.260 nan 8.300 nan 0.000 0.592 411 D N 1.961 122.388 120.400 0.045 0.000 2.412 411 D HA 0.665 5.305 4.640 0.000 0.000 0.224 411 D C -0.938 175.407 176.300 0.075 0.000 1.093 411 D CA 0.230 54.259 54.000 0.048 0.000 0.850 411 D CB 1.062 41.886 40.800 0.040 0.000 1.046 411 D HN 0.475 nan 8.370 nan 0.000 0.507 412 L N 2.566 123.825 121.223 0.061 0.000 2.464 412 L HA 0.336 4.676 4.340 0.000 0.000 0.266 412 L C 0.190 177.073 176.870 0.022 0.000 0.965 412 L CA -1.178 53.702 54.840 0.066 0.000 0.833 412 L CB 2.045 44.151 42.059 0.079 0.000 1.296 412 L HN 0.252 nan 8.230 nan 0.000 0.405 413 D N 2.230 122.631 120.400 0.001 0.000 2.380 413 D HA 0.137 4.777 4.640 0.000 0.000 0.254 413 D C 1.021 177.305 176.300 -0.027 0.000 1.288 413 D CA 0.012 54.003 54.000 -0.015 0.000 1.008 413 D CB 1.150 41.937 40.800 -0.023 0.000 1.099 413 D HN 0.521 nan 8.370 nan 0.000 0.537 414 A N 0.533 123.337 122.820 -0.026 0.000 1.851 414 A HA -0.225 4.095 4.320 0.000 0.000 0.216 414 A C 2.376 179.940 177.584 -0.035 0.000 1.195 414 A CA 3.262 55.283 52.037 -0.027 0.000 0.622 414 A CB -1.325 17.661 19.000 -0.023 0.000 0.831 414 A HN 0.729 nan 8.150 nan 0.000 0.444 415 S N -0.010 115.665 115.700 -0.041 0.000 2.353 415 S HA -0.211 4.259 4.470 0.000 0.000 0.222 415 S C 1.983 176.551 174.600 -0.053 0.000 1.035 415 S CA 2.423 60.598 58.200 -0.042 0.000 1.025 415 S CB -1.632 61.541 63.200 -0.045 0.000 0.902 415 S HN 0.782 nan 8.310 nan 0.000 0.440 416 T N -0.107 114.391 114.554 -0.094 0.000 2.915 416 T HA 0.061 4.411 4.350 0.000 0.000 0.269 416 T C 1.704 176.368 174.700 -0.060 0.000 1.071 416 T CA 1.302 63.323 62.100 -0.132 0.000 1.132 416 T CB -0.368 68.316 68.868 -0.307 0.000 0.878 416 T HN 0.581 nan 8.240 nan 0.000 0.479 417 K N 0.721 121.098 120.400 -0.039 0.000 2.103 417 K HA -0.089 4.231 4.320 0.000 0.000 0.204 417 K C 2.580 179.168 176.600 -0.019 0.000 1.052 417 K CA 0.968 57.247 56.287 -0.013 0.000 0.945 417 K CB -0.130 32.362 32.500 -0.012 0.000 0.722 417 K HN 0.222 nan 8.250 nan 0.000 0.443 418 Q N 0.437 120.219 119.800 -0.031 0.000 2.046 418 Q HA -0.095 4.245 4.340 0.000 0.000 0.200 418 Q C 1.639 177.613 176.000 -0.044 0.000 0.975 418 Q CA 2.441 58.216 55.803 -0.048 0.000 0.836 418 Q CB -0.557 28.153 28.738 -0.046 0.000 0.896 418 Q HN 0.315 nan 8.270 nan 0.000 0.428 419 T N 0.954 115.509 114.554 0.001 0.000 2.803 419 T HA -0.115 4.236 4.350 0.000 0.000 0.269 419 T C 1.693 176.441 174.700 0.081 0.000 1.052 419 T CA 1.289 63.422 62.100 0.055 0.000 1.136 419 T CB -0.210 68.711 68.868 0.088 0.000 0.864 419 T HN 0.214 nan 8.240 nan 0.000 0.467 420 L N 0.458 121.731 121.223 0.083 0.000 2.109 420 L HA -0.046 4.294 4.340 0.000 0.000 0.207 420 L C 2.633 179.495 176.870 -0.013 0.000 1.086 420 L CA 0.731 55.651 54.840 0.134 0.000 0.760 420 L CB -0.471 41.665 42.059 0.130 0.000 0.910 420 L HN 0.151 nan 8.230 nan 0.000 0.437 421 V N -0.543 119.334 119.914 -0.062 0.000 2.307 421 V HA -0.228 3.892 4.120 0.000 0.000 0.245 421 V C 2.698 178.672 176.094 -0.200 0.000 1.045 421 V CA 1.474 63.704 62.300 -0.117 0.000 1.024 421 V CB -0.597 31.160 31.823 -0.109 0.000 0.651 421 V HN 0.390 nan 8.190 nan 0.000 0.449 422 R N 0.507 120.863 120.500 -0.240 0.000 2.070 422 R HA -0.095 4.245 4.340 0.000 0.000 0.232 422 R C 2.532 178.602 176.300 -0.384 0.000 1.138 422 R CA 1.708 57.606 56.100 -0.337 0.000 0.936 422 R CB -1.493 28.541 30.300 -0.443 0.000 0.839 422 R HN 0.547 nan 8.270 nan 0.000 0.429 423 G N 1.319 109.832 108.800 -0.478 0.000 2.513 423 G HA2 -0.306 3.654 3.960 0.000 0.000 0.219 423 G HA3 -0.306 3.654 3.960 0.000 0.000 0.219 423 G C 1.367 175.643 174.900 -1.039 0.000 1.160 423 G CA 1.016 45.508 45.100 -1.012 0.000 0.767 423 G HN 0.411 nan 8.290 nan 0.000 0.571 424 E N -0.037 119.750 120.200 -0.687 0.000 2.038 424 E HA -0.131 4.219 4.350 0.000 0.000 0.195 424 E C 2.828 179.279 176.600 -0.247 0.000 1.000 424 E CA 0.943 57.143 56.400 -0.335 0.000 0.803 424 E CB -0.098 29.515 29.700 -0.146 0.000 0.750 424 E HN 0.351 nan 8.360 nan 0.000 0.448 425 R N 0.335 120.686 120.500 -0.247 0.000 2.066 425 R HA -0.079 4.261 4.340 0.000 0.000 0.232 425 R C 2.519 178.705 176.300 -0.191 0.000 1.131 425 R CA 0.938 56.915 56.100 -0.207 0.000 0.955 425 R CB -0.316 29.847 30.300 -0.229 0.000 0.851 425 R HN 0.136 nan 8.270 nan 0.000 0.432 426 L N -0.049 121.042 121.223 -0.220 0.000 2.042 426 L HA -0.213 4.127 4.340 0.000 0.000 0.210 426 L C 2.316 179.117 176.870 -0.114 0.000 1.076 426 L CA 1.469 56.214 54.840 -0.158 0.000 0.749 426 L CB -0.749 41.215 42.059 -0.158 0.000 0.893 426 L HN 0.262 nan 8.230 nan 0.000 0.432 427 T N -1.321 113.143 114.554 -0.151 0.000 2.684 427 T HA -0.293 4.058 4.350 0.000 0.000 0.267 427 T C 1.875 176.544 174.700 -0.053 0.000 1.036 427 T CA 1.570 63.624 62.100 -0.076 0.000 1.148 427 T CB -0.178 68.653 68.868 -0.062 0.000 0.863 427 T HN 0.218 nan 8.240 nan 0.000 0.436 428 Q N 0.471 120.227 119.800 -0.074 0.000 2.124 428 Q HA 0.062 4.402 4.340 0.000 0.000 0.202 428 Q C 2.086 178.065 176.000 -0.034 0.000 0.977 428 Q CA 1.165 56.938 55.803 -0.051 0.000 0.850 428 Q CB -0.547 28.153 28.738 -0.063 0.000 0.901 428 Q HN 0.487 nan 8.270 nan 0.000 0.429 429 L N -0.461 120.737 121.223 -0.042 0.000 2.131 429 L HA -0.147 4.193 4.340 0.000 0.000 0.210 429 L C 1.661 178.537 176.870 0.009 0.000 1.092 429 L CA 0.797 55.631 54.840 -0.010 0.000 0.759 429 L CB -0.143 41.905 42.059 -0.018 0.000 0.903 429 L HN 0.323 nan 8.230 nan 0.000 0.435 430 L N -1.041 120.182 121.223 -0.000 0.000 2.554 430 L HA -0.014 4.326 4.340 0.000 0.000 0.226 430 L C 0.828 177.700 176.870 0.004 0.000 1.137 430 L CA 0.064 54.910 54.840 0.010 0.000 0.863 430 L CB -0.369 41.698 42.059 0.013 0.000 0.985 430 L HN 0.070 nan 8.230 nan 0.000 0.451 431 K N 1.844 122.241 120.400 -0.006 0.000 2.448 431 K HA 0.098 4.418 4.320 0.000 0.000 0.278 431 K C -0.048 176.547 176.600 -0.007 0.000 1.009 431 K CA 0.526 56.803 56.287 -0.018 0.000 0.995 431 K CB 0.467 32.951 32.500 -0.027 0.000 0.917 431 K HN 0.040 nan 8.250 nan 0.000 0.481 432 Q N 2.855 122.644 119.800 -0.018 0.000 2.281 432 Q HA 0.155 4.495 4.340 0.000 0.000 0.263 432 Q C -1.232 174.752 176.000 -0.025 0.000 0.989 432 Q CA -0.813 54.985 55.803 -0.008 0.000 0.852 432 Q CB 1.181 29.920 28.738 0.001 0.000 1.337 432 Q HN 0.500 nan 8.270 nan 0.000 0.418 433 N N 2.111 120.803 118.700 -0.014 0.000 2.340 433 N HA -0.010 4.730 4.740 0.000 0.000 0.236 433 N C -0.511 174.967 175.510 -0.054 0.000 1.296 433 N CA 0.145 53.182 53.050 -0.022 0.000 0.896 433 N CB 0.526 39.022 38.487 0.015 0.000 1.127 433 N HN 0.596 nan 8.380 nan 0.000 0.442 434 Q N 0.032 119.761 119.800 -0.118 0.000 2.354 434 Q HA 0.029 4.369 4.340 0.000 0.000 0.244 434 Q C -0.432 175.443 176.000 -0.208 0.000 0.969 434 Q CA -0.226 55.382 55.803 -0.325 0.000 0.885 434 Q CB 0.241 28.599 28.738 -0.634 0.000 1.241 434 Q HN 0.564 nan 8.270 nan 0.000 0.461 435 Y N -0.362 119.929 120.300 -0.016 0.000 4.079 435 Y HA -0.252 4.298 4.550 0.000 0.000 0.223 435 Y C -0.093 175.821 175.900 0.023 0.000 1.155 435 Y CA 0.821 58.893 58.100 -0.047 0.000 1.805 435 Y CB -2.292 36.148 38.460 -0.033 0.000 1.571 435 Y HN 0.365 nan 8.280 nan 0.000 0.654 436 S N 0.195 115.954 115.700 0.098 0.000 2.474 436 S HA 0.262 4.732 4.470 0.000 0.000 0.224 436 S C -2.243 172.385 174.600 0.047 0.000 1.209 436 S CA -0.822 57.426 58.200 0.081 0.000 1.212 436 S CB 1.041 64.280 63.200 0.064 0.000 1.137 436 S HN 0.156 nan 8.310 nan 0.000 0.446 437 P HA 0.323 nan 4.420 nan 0.000 0.275 437 P C -0.729 176.587 177.300 0.027 0.000 1.228 437 P CA -0.364 62.757 63.100 0.034 0.000 0.786 437 P CB 0.960 32.684 31.700 0.040 0.000 0.927 438 L N 1.362 122.602 121.223 0.028 0.000 2.334 438 L HA 0.607 4.947 4.340 0.000 0.000 0.273 438 L C 0.798 177.680 176.870 0.021 0.000 1.013 438 L CA -1.252 53.599 54.840 0.018 0.000 0.816 438 L CB 1.703 43.777 42.059 0.024 0.000 1.278 438 L HN 0.391 nan 8.230 nan 0.000 0.431 439 A N 1.309 124.126 122.820 -0.005 0.000 2.425 439 A HA 0.242 4.563 4.320 0.000 0.000 0.242 439 A C 1.212 178.817 177.584 0.036 0.000 1.077 439 A CA -0.053 51.985 52.037 0.002 0.000 0.781 439 A CB 0.303 19.273 19.000 -0.050 0.000 1.020 439 A HN 0.883 nan 8.150 nan 0.000 0.494 440 T N 1.027 115.625 114.554 0.074 0.000 2.699 440 T HA -0.182 4.168 4.350 0.000 0.000 0.268 440 T C 1.797 176.519 174.700 0.036 0.000 1.036 440 T CA 1.890 64.029 62.100 0.065 0.000 1.147 440 T CB -0.252 68.666 68.868 0.083 0.000 0.862 440 T HN 0.895 nan 8.240 nan 0.000 0.446 441 E N 1.766 121.976 120.200 0.018 0.000 2.204 441 E HA -0.204 4.146 4.350 0.000 0.000 0.195 441 E C 1.604 178.186 176.600 -0.030 0.000 0.990 441 E CA 1.271 57.664 56.400 -0.012 0.000 0.821 441 E CB -0.302 29.382 29.700 -0.028 0.000 0.750 441 E HN 0.600 nan 8.360 nan 0.000 0.477 442 E N 0.580 120.765 120.200 -0.024 0.000 2.170 442 E HA -0.057 4.293 4.350 0.000 0.000 0.191 442 E C 2.233 178.842 176.600 0.015 0.000 0.981 442 E CA 0.535 56.917 56.400 -0.030 0.000 0.830 442 E CB 0.062 29.743 29.700 -0.032 0.000 0.775 442 E HN 0.354 nan 8.360 nan 0.000 0.470 443 Q N 0.330 120.151 119.800 0.035 0.000 2.123 443 Q HA -0.124 4.216 4.340 0.000 0.000 0.199 443 Q C 2.567 178.618 176.000 0.085 0.000 0.966 443 Q CA 1.669 57.508 55.803 0.062 0.000 0.845 443 Q CB -0.042 28.731 28.738 0.058 0.000 0.907 443 Q HN 0.295 nan 8.270 nan 0.000 0.439 444 V N -1.648 118.310 119.914 0.073 0.000 2.358 444 V HA -0.071 4.049 4.120 0.000 0.000 0.246 444 V C -0.987 175.200 176.094 0.156 0.000 1.047 444 V CA 0.988 63.347 62.300 0.099 0.000 1.035 444 V CB -1.919 29.943 31.823 0.065 0.000 0.658 444 V HN 0.148 nan 8.190 nan 0.000 0.452 445 P HA -0.028 nan 4.420 nan 0.000 0.218 445 P C 2.083 179.636 177.300 0.422 0.000 1.149 445 P CA 1.346 64.597 63.100 0.251 0.000 0.817 445 P CB -0.098 31.659 31.700 0.095 0.000 0.785 446 L N -1.263 120.153 121.223 0.321 0.000 1.994 446 L HA -0.167 4.173 4.340 0.000 0.000 0.208 446 L C 2.427 179.427 176.870 0.218 0.000 1.071 446 L CA 1.568 56.597 54.840 0.315 0.000 0.745 446 L CB -0.828 41.367 42.059 0.228 0.000 0.892 446 L HN -0.093 nan 8.230 nan 0.000 0.431 447 I N -1.711 118.966 120.570 0.179 0.000 2.315 447 I HA -0.318 3.852 4.170 0.000 0.000 0.248 447 I C 2.501 178.708 176.117 0.149 0.000 1.117 447 I CA 1.116 62.493 61.300 0.130 0.000 1.404 447 I CB -0.312 37.756 38.000 0.113 0.000 1.071 447 I HN 0.169 nan 8.210 nan 0.000 0.419 448 Y N 1.841 122.203 120.300 0.104 0.000 2.081 448 Y HA -0.384 4.166 4.550 0.000 0.000 0.280 448 Y C 2.553 178.530 175.900 0.128 0.000 1.163 448 Y CA 1.789 59.956 58.100 0.112 0.000 1.135 448 Y CB -0.469 38.061 38.460 0.117 0.000 0.970 448 Y HN 0.138 nan 8.280 nan 0.000 0.498 449 A N 0.103 123.067 122.820 0.240 0.000 1.908 449 A HA -0.150 4.170 4.320 0.000 0.000 0.218 449 A C 2.472 180.044 177.584 -0.020 0.000 1.181 449 A CA 1.970 54.087 52.037 0.134 0.000 0.627 449 A CB -1.766 17.290 19.000 0.092 0.000 0.818 449 A HN 0.640 nan 8.150 nan 0.000 0.445 450 G N -0.643 108.121 108.800 -0.061 0.000 2.453 450 G HA2 -0.118 3.842 3.960 0.000 0.000 0.215 450 G HA3 -0.118 3.842 3.960 0.000 0.000 0.215 450 G C 1.511 176.275 174.900 -0.226 0.000 1.201 450 G CA 1.211 46.218 45.100 -0.155 0.000 0.784 450 G HN 0.327 nan 8.290 nan 0.000 0.545 451 V N 1.609 121.418 119.914 -0.175 0.000 2.453 451 V HA -0.200 3.920 4.120 0.000 0.000 0.252 451 V C 2.318 178.241 176.094 -0.284 0.000 1.068 451 V CA 1.849 64.032 62.300 -0.196 0.000 1.070 451 V CB -0.374 31.441 31.823 -0.014 0.000 0.664 451 V HN 0.412 nan 8.190 nan 0.000 0.461 452 N N -0.653 117.857 118.700 -0.315 0.000 2.353 452 N HA 0.083 4.824 4.740 0.000 0.000 0.185 452 N C 1.492 176.712 175.510 -0.483 0.000 1.098 452 N CA 1.012 53.840 53.050 -0.370 0.000 0.872 452 N CB 1.158 39.369 38.487 -0.461 0.000 0.970 452 N HN 0.601 nan 8.380 nan 0.000 0.467 453 G N 0.530 109.059 108.800 -0.452 0.000 2.184 453 G HA2 -0.214 3.746 3.960 0.000 0.000 0.206 453 G HA3 -0.214 3.746 3.960 0.000 0.000 0.206 453 G C 0.380 175.031 174.900 -0.414 0.000 0.995 453 G CA -0.078 44.762 45.100 -0.434 0.000 0.651 453 G HN 0.471 nan 8.290 nan 0.000 0.511 454 H N -0.047 118.905 119.070 -0.197 0.000 2.559 454 H HA 0.367 4.923 4.556 0.000 0.000 0.273 454 H C 2.480 177.668 175.328 -0.232 0.000 1.000 454 H CA 1.004 56.955 56.048 -0.162 0.000 1.195 454 H CB 0.146 29.844 29.762 -0.107 0.000 1.368 454 H HN 0.425 nan 8.280 nan 0.000 0.592 455 L N -0.095 120.993 121.223 -0.225 0.000 2.477 455 L HA -0.036 4.304 4.340 0.000 0.000 0.220 455 L C 1.265 177.977 176.870 -0.264 0.000 1.106 455 L CA 0.152 54.784 54.840 -0.347 0.000 0.851 455 L CB 0.145 41.962 42.059 -0.404 0.000 0.994 455 L HN 0.208 nan 8.230 nan 0.000 0.462 456 D N 0.762 121.028 120.400 -0.224 0.000 2.133 456 D HA -0.184 4.456 4.640 0.000 0.000 0.195 456 D C 2.102 178.316 176.300 -0.144 0.000 0.997 456 D CA 1.622 55.510 54.000 -0.187 0.000 0.840 456 D CB -0.290 40.399 40.800 -0.185 0.000 0.947 456 D HN 0.328 nan 8.370 nan 0.000 0.452 457 G N 0.011 108.736 108.800 -0.126 0.000 2.448 457 G HA2 -0.063 3.897 3.960 0.000 0.000 0.218 457 G HA3 -0.063 3.897 3.960 0.000 0.000 0.218 457 G C 0.776 175.624 174.900 -0.087 0.000 1.135 457 G CA -0.072 44.973 45.100 -0.091 0.000 0.784 457 G HN 0.226 nan 8.290 nan 0.000 0.543 458 I N 1.808 122.308 120.570 -0.116 0.000 2.496 458 I HA 0.138 4.308 4.170 0.000 0.000 0.285 458 I C 0.663 176.724 176.117 -0.093 0.000 1.080 458 I CA -0.578 60.662 61.300 -0.099 0.000 1.404 458 I CB 1.129 39.043 38.000 -0.144 0.000 1.403 458 I HN 0.345 nan 8.210 nan 0.000 0.539 459 E N 5.884 126.050 120.200 -0.056 0.000 2.398 459 E HA -0.035 4.316 4.350 0.000 0.000 0.263 459 E C 0.803 177.373 176.600 -0.049 0.000 1.046 459 E CA -0.605 55.767 56.400 -0.047 0.000 0.908 459 E CB 0.870 30.554 29.700 -0.027 0.000 0.963 459 E HN 0.492 nan 8.360 nan 0.000 0.431 460 L N 3.426 124.620 121.223 -0.049 0.000 2.081 460 L HA -0.248 4.092 4.340 0.000 0.000 0.212 460 L C 2.346 179.198 176.870 -0.030 0.000 1.080 460 L CA 2.619 57.429 54.840 -0.050 0.000 0.754 460 L CB -0.718 41.317 42.059 -0.039 0.000 0.893 460 L HN 0.823 nan 8.230 nan 0.000 0.433 461 S N -1.869 113.823 115.700 -0.014 0.000 2.489 461 S HA -0.065 4.405 4.470 0.000 0.000 0.228 461 S C 1.931 176.540 174.600 0.015 0.000 0.995 461 S CA 0.322 58.522 58.200 0.000 0.000 0.934 461 S CB -0.382 62.820 63.200 0.003 0.000 0.771 461 S HN 0.489 nan 8.310 nan 0.000 0.522 462 R N 0.154 120.664 120.500 0.018 0.000 2.334 462 R HA 0.335 4.675 4.340 0.000 0.000 0.216 462 R C 1.171 177.531 176.300 0.099 0.000 0.905 462 R CA -0.104 56.030 56.100 0.057 0.000 1.064 462 R CB -0.043 30.293 30.300 0.059 0.000 1.046 462 R HN 0.385 nan 8.270 nan 0.000 0.508 463 I N 0.263 120.858 120.570 0.041 0.000 2.264 463 I HA -0.176 3.994 4.170 0.000 0.000 0.248 463 I C 2.292 178.496 176.117 0.145 0.000 1.111 463 I CA 1.547 62.871 61.300 0.041 0.000 1.382 463 I CB -1.444 36.524 38.000 -0.053 0.000 1.060 463 I HN 0.201 nan 8.210 nan 0.000 0.418 464 G N 1.782 110.643 108.800 0.101 0.000 2.511 464 G HA2 -0.291 3.669 3.960 0.000 0.000 0.216 464 G HA3 -0.291 3.669 3.960 0.000 0.000 0.216 464 G C 1.482 176.466 174.900 0.140 0.000 1.218 464 G CA 0.976 46.137 45.100 0.102 0.000 0.788 464 G HN 0.632 nan 8.290 nan 0.000 0.560 465 E N -0.548 119.734 120.200 0.136 0.000 2.265 465 E HA -0.131 4.219 4.350 0.000 0.000 0.196 465 E C 2.094 178.813 176.600 0.198 0.000 0.996 465 E CA 0.828 57.310 56.400 0.137 0.000 0.832 465 E CB -0.417 29.348 29.700 0.108 0.000 0.756 465 E HN 0.422 nan 8.360 nan 0.000 0.491 466 F N 2.247 122.263 119.950 0.109 0.000 2.113 466 F HA -0.122 4.405 4.527 0.000 0.000 0.297 466 F C 2.286 178.196 175.800 0.184 0.000 1.103 466 F CA 2.033 60.135 58.000 0.170 0.000 1.248 466 F CB -0.229 38.833 39.000 0.103 0.000 0.999 466 F HN 0.059 nan 8.300 nan 0.000 0.475 467 E N -0.281 120.158 120.200 0.399 0.000 2.038 467 E HA -0.231 4.119 4.350 0.000 0.000 0.195 467 E C 2.311 178.974 176.600 0.104 0.000 1.000 467 E CA 1.754 58.320 56.400 0.276 0.000 0.803 467 E CB -0.390 29.444 29.700 0.222 0.000 0.750 467 E HN 0.423 nan 8.360 nan 0.000 0.448 468 S N 0.023 115.774 115.700 0.085 0.000 2.353 468 S HA -0.154 4.316 4.470 0.000 0.000 0.222 468 S C 2.145 176.748 174.600 0.005 0.000 1.035 468 S CA 1.429 59.654 58.200 0.041 0.000 1.025 468 S CB -0.260 62.974 63.200 0.056 0.000 0.902 468 S HN 0.276 nan 8.310 nan 0.000 0.440 469 S N 0.690 116.409 115.700 0.033 0.000 2.382 469 S HA -0.031 4.439 4.470 0.000 0.000 0.228 469 S C 1.516 175.992 174.600 -0.207 0.000 1.027 469 S CA 0.888 59.134 58.200 0.077 0.000 0.991 469 S CB -0.379 63.011 63.200 0.316 0.000 0.823 469 S HN 0.522 nan 8.310 nan 0.000 0.469 470 F N 2.439 121.937 119.950 -0.753 0.000 2.113 470 F HA 0.040 4.567 4.527 0.000 0.000 0.297 470 F C 1.788 177.290 175.800 -0.496 0.000 1.103 470 F CA 0.913 58.186 58.000 -1.211 0.000 1.248 470 F CB -0.699 37.631 39.000 -1.117 0.000 0.999 470 F HN 0.090 nan 8.300 nan 0.000 0.475 471 L N -0.121 120.880 121.223 -0.369 0.000 2.012 471 L HA -0.254 4.086 4.340 0.000 0.000 0.210 471 L C 2.638 179.358 176.870 -0.250 0.000 1.073 471 L CA 1.823 56.465 54.840 -0.330 0.000 0.748 471 L CB -1.122 40.843 42.059 -0.158 0.000 0.891 471 L HN 0.268 nan 8.230 nan 0.000 0.431 472 S N -1.389 114.222 115.700 -0.148 0.000 2.453 472 S HA -0.229 4.241 4.470 0.000 0.000 0.231 472 S C 1.896 176.453 174.600 -0.071 0.000 1.005 472 S CA 0.680 58.827 58.200 -0.089 0.000 0.949 472 S CB -0.726 62.455 63.200 -0.031 0.000 0.774 472 S HN 0.499 nan 8.310 nan 0.000 0.510 473 Y N 2.343 122.514 120.300 -0.216 0.000 2.200 473 Y HA 0.108 4.658 4.550 0.000 0.000 0.290 473 Y C 1.838 177.642 175.900 -0.159 0.000 1.137 473 Y CA 1.132 59.142 58.100 -0.150 0.000 1.163 473 Y CB -0.364 37.986 38.460 -0.182 0.000 0.988 473 Y HN 0.189 nan 8.280 nan 0.000 0.518 474 L N 0.187 121.186 121.223 -0.374 0.000 2.056 474 L HA -0.179 4.161 4.340 0.000 0.000 0.207 474 L C 2.427 179.130 176.870 -0.278 0.000 1.078 474 L CA 1.514 56.126 54.840 -0.380 0.000 0.749 474 L CB -0.507 41.271 42.059 -0.469 0.000 0.901 474 L HN 0.083 nan 8.230 nan 0.000 0.433 475 K N -0.429 119.830 120.400 -0.235 0.000 2.103 475 K HA -0.128 4.192 4.320 0.000 0.000 0.207 475 K C 2.298 178.796 176.600 -0.170 0.000 1.048 475 K CA 1.512 57.695 56.287 -0.172 0.000 0.930 475 K CB -0.089 32.330 32.500 -0.135 0.000 0.716 475 K HN 0.169 nan 8.250 nan 0.000 0.444 476 S N 0.718 116.301 115.700 -0.195 0.000 2.357 476 S HA -0.016 4.454 4.470 0.000 0.000 0.221 476 S C 1.462 175.912 174.600 -0.249 0.000 1.031 476 S CA 0.997 59.087 58.200 -0.184 0.000 0.982 476 S CB -0.028 63.087 63.200 -0.143 0.000 0.853 476 S HN 0.336 nan 8.310 nan 0.000 0.458 477 N N -0.375 118.086 118.700 -0.397 0.000 2.460 477 N HA 0.082 4.822 4.740 0.000 0.000 0.193 477 N C 0.058 175.189 175.510 -0.631 0.000 1.080 477 N CA 0.514 53.240 53.050 -0.539 0.000 0.869 477 N CB 0.238 38.267 38.487 -0.763 0.000 1.201 477 N HN 0.397 nan 8.380 nan 0.000 0.457 478 H N 0.114 118.999 119.070 -0.309 0.000 2.492 478 H HA 0.217 4.773 4.556 0.000 0.000 0.264 478 H C 0.508 175.726 175.328 -0.184 0.000 1.150 478 H CA -0.217 55.700 56.048 -0.218 0.000 0.962 478 H CB 0.345 29.978 29.762 -0.216 0.000 1.766 478 H HN 0.128 nan 8.280 nan 0.000 0.589 479 N N 1.408 120.044 118.700 -0.108 0.000 2.272 479 N HA -0.150 4.590 4.740 0.000 0.000 0.185 479 N C 1.575 177.043 175.510 -0.070 0.000 1.014 479 N CA 1.139 54.130 53.050 -0.098 0.000 0.870 479 N CB 0.332 38.756 38.487 -0.106 0.000 0.975 479 N HN 0.481 nan 8.380 nan 0.000 0.433 480 E N -0.205 119.962 120.200 -0.056 0.000 2.106 480 E HA -0.134 4.216 4.350 0.000 0.000 0.192 480 E C 1.848 178.428 176.600 -0.034 0.000 0.984 480 E CA 0.873 57.248 56.400 -0.041 0.000 0.806 480 E CB -0.116 29.564 29.700 -0.033 0.000 0.750 480 E HN 0.493 nan 8.360 nan 0.000 0.458 481 L N 0.693 121.899 121.223 -0.029 0.000 2.056 481 L HA -0.134 4.206 4.340 0.000 0.000 0.207 481 L C 2.549 179.383 176.870 -0.060 0.000 1.078 481 L CA 0.782 55.595 54.840 -0.045 0.000 0.749 481 L CB -0.602 41.422 42.059 -0.059 0.000 0.901 481 L HN 0.124 nan 8.230 nan 0.000 0.433 482 L N -0.301 120.879 121.223 -0.071 0.000 2.046 482 L HA -0.177 4.163 4.340 0.000 0.000 0.208 482 L C 2.697 179.533 176.870 -0.056 0.000 1.077 482 L CA 1.590 56.384 54.840 -0.078 0.000 0.747 482 L CB -1.071 40.929 42.059 -0.098 0.000 0.896 482 L HN 0.300 nan 8.230 nan 0.000 0.432 483 T N -1.019 113.504 114.554 -0.052 0.000 2.746 483 T HA -0.239 4.111 4.350 0.000 0.000 0.267 483 T C 1.785 176.469 174.700 -0.028 0.000 1.039 483 T CA 1.499 63.575 62.100 -0.040 0.000 1.142 483 T CB -0.121 68.723 68.868 -0.040 0.000 0.866 483 T HN 0.361 nan 8.240 nan 0.000 0.444 484 E N 0.509 120.691 120.200 -0.029 0.000 2.072 484 E HA -0.090 4.260 4.350 0.000 0.000 0.191 484 E C 2.113 178.702 176.600 -0.018 0.000 0.985 484 E CA 0.811 57.197 56.400 -0.022 0.000 0.801 484 E CB -0.216 29.470 29.700 -0.025 0.000 0.750 484 E HN 0.488 nan 8.360 nan 0.000 0.452 485 I N 0.584 121.139 120.570 -0.025 0.000 2.127 485 I HA -0.309 3.861 4.170 0.000 0.000 0.241 485 I C 2.853 178.970 176.117 -0.001 0.000 1.075 485 I CA 1.361 62.650 61.300 -0.017 0.000 1.334 485 I CB -0.342 37.642 38.000 -0.027 0.000 1.040 485 I HN 0.107 nan 8.210 nan 0.000 0.405 486 R N 0.945 121.444 120.500 -0.002 0.000 2.073 486 R HA -0.196 4.144 4.340 0.000 0.000 0.234 486 R C 2.152 178.469 176.300 0.029 0.000 1.134 486 R CA 1.823 57.934 56.100 0.019 0.000 0.952 486 R CB -0.063 30.238 30.300 0.002 0.000 0.850 486 R HN 0.405 nan 8.270 nan 0.000 0.433 487 E N -0.225 119.982 120.200 0.012 0.000 2.051 487 E HA -0.096 4.254 4.350 0.000 0.000 0.189 487 E C 1.979 178.586 176.600 0.013 0.000 0.979 487 E CA 1.000 57.409 56.400 0.015 0.000 0.803 487 E CB 0.197 29.899 29.700 0.004 0.000 0.761 487 E HN 0.273 nan 8.360 nan 0.000 0.451 488 K N -0.504 119.899 120.400 0.005 0.000 2.228 488 K HA 0.014 4.334 4.320 0.000 0.000 0.202 488 K C 1.278 177.881 176.600 0.005 0.000 1.051 488 K CA 0.673 56.962 56.287 0.004 0.000 0.960 488 K CB 0.242 32.742 32.500 -0.001 0.000 0.743 488 K HN 0.268 nan 8.250 nan 0.000 0.458 489 G N 2.099 110.904 108.800 0.008 0.000 2.166 489 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 489 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 489 G C -0.226 174.678 174.900 0.007 0.000 0.986 489 G CA 0.860 45.965 45.100 0.009 0.000 0.683 489 G HN 0.422 nan 8.290 nan 0.000 0.527 490 E N -1.610 118.593 120.200 0.004 0.000 2.456 490 E HA 0.697 5.047 4.350 0.000 0.000 0.276 490 E C -0.714 175.886 176.600 0.001 0.000 0.981 490 E CA -1.086 55.318 56.400 0.006 0.000 0.814 490 E CB 1.538 31.242 29.700 0.006 0.000 1.382 490 E HN 0.111 nan 8.360 nan 0.000 0.459 491 L N 1.772 122.997 121.223 0.004 0.000 2.388 491 L HA 0.341 4.681 4.340 0.000 0.000 0.267 491 L C -0.362 176.508 176.870 -0.000 0.000 0.995 491 L CA -0.578 54.258 54.840 -0.006 0.000 0.864 491 L CB 1.572 43.626 42.059 -0.008 0.000 1.216 491 L HN 0.421 nan 8.230 nan 0.000 0.430 492 S N 1.261 116.958 115.700 -0.005 0.000 2.587 492 S HA 0.081 4.551 4.470 0.000 0.000 0.260 492 S C 1.160 175.761 174.600 0.001 0.000 1.353 492 S CA -0.508 57.693 58.200 0.000 0.000 0.995 492 S CB 1.005 64.204 63.200 -0.002 0.000 0.912 492 S HN 0.546 nan 8.310 nan 0.000 0.568 493 K N 0.629 121.034 120.400 0.009 0.000 2.211 493 K HA -0.097 4.223 4.320 0.000 0.000 0.203 493 K C 1.764 178.369 176.600 0.008 0.000 1.050 493 K CA 1.039 57.335 56.287 0.015 0.000 0.945 493 K CB -0.068 32.445 32.500 0.022 0.000 0.732 493 K HN 0.439 nan 8.250 nan 0.000 0.451 494 E N 0.837 121.037 120.200 0.001 0.000 2.072 494 E HA -0.114 4.236 4.350 0.000 0.000 0.191 494 E C 1.742 178.330 176.600 -0.021 0.000 0.985 494 E CA 0.813 57.211 56.400 -0.004 0.000 0.801 494 E CB -0.075 29.623 29.700 -0.003 0.000 0.750 494 E HN 0.160 nan 8.360 nan 0.000 0.452 495 L N 0.019 121.223 121.223 -0.032 0.000 2.017 495 L HA -0.174 4.166 4.340 0.000 0.000 0.208 495 L C 2.225 179.031 176.870 -0.106 0.000 1.073 495 L CA 0.942 55.745 54.840 -0.061 0.000 0.745 495 L CB -0.312 41.713 42.059 -0.057 0.000 0.894 495 L HN 0.173 nan 8.230 nan 0.000 0.432 496 L N -0.719 120.453 121.223 -0.086 0.000 2.042 496 L HA -0.240 4.100 4.340 0.000 0.000 0.210 496 L C 2.736 179.556 176.870 -0.085 0.000 1.076 496 L CA 1.291 56.062 54.840 -0.115 0.000 0.749 496 L CB -0.719 41.346 42.059 0.009 0.000 0.893 496 L HN 0.276 nan 8.230 nan 0.000 0.432 497 A N -1.222 121.585 122.820 -0.023 0.000 2.014 497 A HA -0.117 4.204 4.320 0.000 0.000 0.218 497 A C 2.475 180.048 177.584 -0.018 0.000 1.163 497 A CA 1.623 53.665 52.037 0.008 0.000 0.652 497 A CB -0.328 18.686 19.000 0.023 0.000 0.808 497 A HN 0.351 nan 8.150 nan 0.000 0.449 498 S N -0.455 115.214 115.700 -0.052 0.000 2.371 498 S HA -0.074 4.396 4.470 0.000 0.000 0.224 498 S C 1.809 176.330 174.600 -0.133 0.000 1.029 498 S CA 1.213 59.374 58.200 -0.065 0.000 0.978 498 S CB -0.334 62.834 63.200 -0.055 0.000 0.833 498 S HN 0.413 nan 8.310 nan 0.000 0.466 499 L N 2.198 123.298 121.223 -0.205 0.000 2.046 499 L HA -0.021 4.320 4.340 0.000 0.000 0.208 499 L C 2.234 178.986 176.870 -0.196 0.000 1.077 499 L CA 1.774 56.428 54.840 -0.310 0.000 0.747 499 L CB -0.562 41.119 42.059 -0.629 0.000 0.896 499 L HN 0.172 nan 8.230 nan 0.000 0.432 500 K N -1.529 118.812 120.400 -0.098 0.000 2.063 500 K HA -0.200 4.120 4.320 0.000 0.000 0.208 500 K C 2.377 179.003 176.600 0.043 0.000 1.048 500 K CA 1.618 57.986 56.287 0.134 0.000 0.928 500 K CB -0.216 32.407 32.500 0.205 0.000 0.713 500 K HN 0.364 nan 8.250 nan 0.000 0.442 501 S N -0.114 115.596 115.700 0.016 0.000 2.355 501 S HA -0.107 4.363 4.470 0.000 0.000 0.222 501 S C 2.014 176.629 174.600 0.025 0.000 1.031 501 S CA 1.241 59.459 58.200 0.031 0.000 0.993 501 S CB -0.329 62.894 63.200 0.038 0.000 0.859 501 S HN 0.450 nan 8.310 nan 0.000 0.453 502 A N 0.669 123.445 122.820 -0.075 0.000 1.908 502 A HA -0.072 4.248 4.320 0.000 0.000 0.218 502 A C 2.378 180.069 177.584 0.178 0.000 1.181 502 A CA 2.370 54.332 52.037 -0.124 0.000 0.627 502 A CB -1.639 17.015 19.000 -0.577 0.000 0.818 502 A HN 0.616 nan 8.150 nan 0.000 0.445 503 T N -0.051 114.572 114.554 0.115 0.000 2.674 503 T HA -0.152 4.198 4.350 0.000 0.000 0.265 503 T C 1.786 176.452 174.700 -0.057 0.000 1.039 503 T CA 1.717 63.832 62.100 0.025 0.000 1.150 503 T CB -0.325 68.440 68.868 -0.172 0.000 0.864 503 T HN 0.662 nan 8.240 nan 0.000 0.427 504 E N 0.811 120.957 120.200 -0.090 0.000 2.118 504 E HA -0.124 4.226 4.350 0.000 0.000 0.195 504 E C 2.458 179.086 176.600 0.047 0.000 0.992 504 E CA 1.130 57.532 56.400 0.003 0.000 0.804 504 E CB -0.186 29.545 29.700 0.051 0.000 0.741 504 E HN 0.331 nan 8.360 nan 0.000 0.458 505 S N -0.038 115.718 115.700 0.093 0.000 2.359 505 S HA -0.201 4.269 4.470 0.000 0.000 0.224 505 S C 1.730 176.356 174.600 0.044 0.000 1.035 505 S CA 1.149 59.424 58.200 0.125 0.000 1.018 505 S CB -0.271 63.088 63.200 0.266 0.000 0.876 505 S HN 0.352 nan 8.310 nan 0.000 0.448 506 F N 1.701 121.550 119.950 -0.169 0.000 2.163 506 F HA 0.033 4.560 4.527 0.000 0.000 0.297 506 F C 2.098 177.760 175.800 -0.230 0.000 1.094 506 F CA 1.226 58.977 58.000 -0.416 0.000 1.290 506 F CB -0.503 38.177 39.000 -0.533 0.000 1.017 506 F HN 0.055 nan 8.300 nan 0.000 0.483 507 V N 0.594 120.469 119.914 -0.065 0.000 2.237 507 V HA -0.318 3.802 4.120 0.000 0.000 0.245 507 V C 2.775 178.800 176.094 -0.115 0.000 1.046 507 V CA 1.910 64.181 62.300 -0.048 0.000 1.007 507 V CB -1.601 30.261 31.823 0.064 0.000 0.638 507 V HN 0.448 nan 8.190 nan 0.000 0.445 508 A N -0.565 122.212 122.820 -0.071 0.000 1.892 508 A HA -0.189 4.131 4.320 0.000 0.000 0.218 508 A C 1.688 179.199 177.584 -0.121 0.000 1.188 508 A CA 2.193 54.190 52.037 -0.066 0.000 0.631 508 A CB -0.934 18.052 19.000 -0.024 0.000 0.822 508 A HN 0.559 nan 8.150 nan 0.000 0.447 509 T N 0.000 114.441 114.554 -0.188 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.960 62.100 -0.233 0.000 1.349 509 T CB 0.000 68.714 68.868 -0.256 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658