REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3oeh_1_C DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQFGSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES 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 0.000 175.506 175.510 -0.007 0.000 1.280 26 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 26 N CB 0.000 38.483 38.487 -0.006 0.000 1.341 27 L N 3.366 124.574 121.223 -0.026 0.000 2.783 27 L HA 0.436 4.777 4.340 0.001 0.000 0.265 27 L C 0.697 177.521 176.870 -0.077 0.000 1.398 27 L CA -0.275 54.538 54.840 -0.045 0.000 0.802 27 L CB 0.455 42.478 42.059 -0.059 0.000 1.126 27 L HN 0.389 nan 8.230 nan 0.000 0.529 28 N N -0.000 118.666 118.700 -0.056 0.000 2.414 28 N HA 0.010 4.750 4.740 0.001 0.000 0.189 28 N C 1.189 176.665 175.510 -0.057 0.000 1.039 28 N CA 0.903 53.918 53.050 -0.059 0.000 0.889 28 N CB 0.443 38.905 38.487 -0.042 0.000 1.085 28 N HN 0.282 nan 8.380 nan 0.000 0.442 29 E N 0.549 120.722 120.200 -0.045 0.000 2.474 29 E HA 0.064 4.415 4.350 0.001 0.000 0.194 29 E C 0.316 176.885 176.600 -0.052 0.000 1.041 29 E CA 0.317 56.691 56.400 -0.043 0.000 0.874 29 E CB 0.289 29.971 29.700 -0.030 0.000 0.914 29 E HN 0.421 nan 8.360 nan 0.000 0.498 30 T N -2.266 112.255 114.554 -0.056 0.000 2.896 30 T HA 0.751 5.102 4.350 0.001 0.000 0.297 30 T C 0.130 174.791 174.700 -0.066 0.000 1.108 30 T CA -0.679 61.384 62.100 -0.062 0.000 1.004 30 T CB 2.549 71.392 68.868 -0.041 0.000 1.159 30 T HN 0.004 nan 8.240 nan 0.000 0.499 31 G N 0.452 109.209 108.800 -0.073 0.000 2.725 31 G HA2 0.691 4.652 3.960 0.001 0.000 0.288 31 G HA3 0.691 4.652 3.960 0.001 0.000 0.288 31 G C -1.624 173.273 174.900 -0.004 0.000 1.399 31 G CA -1.209 43.866 45.100 -0.042 0.000 0.859 31 G HN 0.797 nan 8.290 nan 0.000 0.479 32 R N -0.056 120.496 120.500 0.086 0.000 2.437 32 R HA 0.484 4.825 4.340 0.001 0.000 0.310 32 R C -0.507 175.858 176.300 0.109 0.000 0.955 32 R CA -0.713 55.442 56.100 0.091 0.000 0.851 32 R CB 2.425 32.792 30.300 0.112 0.000 1.161 32 R HN 0.319 nan 8.270 nan 0.000 0.446 33 V N 5.266 125.233 119.914 0.089 0.000 2.584 33 V HA -0.101 4.020 4.120 0.001 0.000 0.303 33 V C 1.400 177.549 176.094 0.092 0.000 1.035 33 V CA 0.800 63.172 62.300 0.120 0.000 1.172 33 V CB 0.240 32.163 31.823 0.167 0.000 0.896 33 V HN 0.773 nan 8.190 nan 0.000 0.486 34 L N 4.102 125.380 121.223 0.091 0.000 2.316 34 L HA 0.480 4.821 4.340 0.001 0.000 0.207 34 L C 0.884 177.777 176.870 0.037 0.000 1.070 34 L CA 1.069 55.941 54.840 0.053 0.000 0.820 34 L CB 0.124 42.223 42.059 0.066 0.000 0.992 34 L HN 0.798 nan 8.230 nan 0.000 0.466 35 A N -0.989 121.861 122.820 0.050 0.000 2.612 35 A HA 0.696 5.016 4.320 0.001 0.000 0.293 35 A C -1.735 175.873 177.584 0.041 0.000 1.075 35 A CA -0.408 51.650 52.037 0.034 0.000 0.680 35 A CB 2.007 21.020 19.000 0.023 0.000 1.279 35 A HN -0.216 nan 8.150 nan 0.000 0.411 36 V N -0.262 119.665 119.914 0.022 0.000 3.077 36 V HA 0.906 5.027 4.120 0.001 0.000 0.299 36 V C -0.278 175.808 176.094 -0.012 0.000 1.276 36 V CA 0.877 63.182 62.300 0.007 0.000 0.993 36 V CB 2.117 33.944 31.823 0.007 0.000 1.076 36 V HN 2.699 nan 8.190 nan 0.000 0.434 37 G N 2.955 111.739 108.800 -0.027 0.000 2.358 37 G HA2 0.487 4.447 3.960 0.001 0.000 0.303 37 G HA3 0.487 4.447 3.960 0.001 0.000 0.303 37 G C -0.780 174.098 174.900 -0.036 0.000 1.537 37 G CA 0.238 45.320 45.100 -0.030 0.000 0.928 37 G HN 1.177 nan 8.290 nan 0.000 0.656 38 D N -1.046 119.332 120.400 -0.035 0.000 3.012 38 D HA -0.131 4.509 4.640 0.001 0.000 0.222 38 D C 1.754 178.026 176.300 -0.046 0.000 1.167 38 D CA 3.233 57.212 54.000 -0.035 0.000 0.854 38 D CB -1.281 39.501 40.800 -0.029 0.000 1.107 38 D HN 2.366 nan 8.370 nan 0.000 0.421 39 G N -1.348 107.414 108.800 -0.064 0.000 2.179 39 G HA2 -0.307 3.654 3.960 0.001 0.000 0.260 39 G HA3 -0.307 3.654 3.960 0.001 0.000 0.260 39 G C 0.228 175.067 174.900 -0.103 0.000 0.977 39 G CA 0.408 45.455 45.100 -0.089 0.000 0.641 39 G HN 0.473 nan 8.290 nan 0.000 0.533 40 I N 1.108 121.633 120.570 -0.074 0.000 2.437 40 I HA 0.738 4.908 4.170 0.001 0.000 0.298 40 I C 0.534 176.631 176.117 -0.034 0.000 0.984 40 I CA -0.739 60.528 61.300 -0.056 0.000 1.214 40 I CB 1.428 39.406 38.000 -0.036 0.000 1.365 40 I HN 0.411 nan 8.210 nan 0.000 0.469 41 A N 6.836 129.663 122.820 0.011 0.000 2.356 41 A HA 0.739 5.060 4.320 0.001 0.000 0.310 41 A C -0.382 177.263 177.584 0.102 0.000 1.075 41 A CA -0.749 51.340 52.037 0.087 0.000 0.746 41 A CB 1.198 20.330 19.000 0.219 0.000 1.221 41 A HN 0.702 nan 8.150 nan 0.000 0.443 42 R N 1.287 121.841 120.500 0.090 0.000 2.265 42 R HA 0.549 4.890 4.340 0.001 0.000 0.328 42 R C -1.194 175.168 176.300 0.104 0.000 0.969 42 R CA -0.335 55.813 56.100 0.080 0.000 0.832 42 R CB 1.704 32.041 30.300 0.061 0.000 1.139 42 R HN 0.476 nan 8.270 nan 0.000 0.457 43 V N 4.652 124.621 119.914 0.092 0.000 2.459 43 V HA 0.320 4.440 4.120 0.001 0.000 0.295 43 V C -0.306 175.857 176.094 0.115 0.000 1.029 43 V CA -0.852 61.500 62.300 0.086 0.000 0.874 43 V CB 1.267 33.095 31.823 0.008 0.000 0.985 43 V HN 0.527 nan 8.190 nan 0.000 0.438 44 F N 3.874 123.817 119.950 -0.012 0.000 2.389 44 F HA 0.682 5.210 4.527 0.001 0.000 0.337 44 F C 1.073 176.859 175.800 -0.024 0.000 1.112 44 F CA 1.465 59.457 58.000 -0.014 0.000 1.192 44 F CB 0.993 39.987 39.000 -0.009 0.000 1.185 44 F HN 0.918 nan 8.300 nan 0.000 0.552 45 G N 3.704 112.002 108.800 -0.837 0.000 2.509 45 G HA2 -0.249 3.712 3.960 0.001 0.000 0.259 45 G HA3 -0.249 3.712 3.960 0.001 0.000 0.259 45 G C 0.216 174.947 174.900 -0.280 0.000 1.169 45 G CA -0.258 44.516 45.100 -0.542 0.000 0.953 45 G HN 1.450 nan 8.290 nan 0.000 0.563 46 L N -0.776 120.341 121.223 -0.177 0.000 3.717 46 L HA -0.214 4.126 4.340 0.001 0.000 0.414 46 L C 1.443 178.243 176.870 -0.118 0.000 1.228 46 L CA 0.598 55.364 54.840 -0.124 0.000 0.918 46 L CB -1.456 40.538 42.059 -0.109 0.000 1.865 46 L HN 0.618 nan 8.230 nan 0.000 0.922 47 N N 0.173 118.793 118.700 -0.132 0.000 2.430 47 N HA -0.093 4.648 4.740 0.001 0.000 0.186 47 N C 1.166 176.631 175.510 -0.075 0.000 1.032 47 N CA 1.141 54.121 53.050 -0.116 0.000 0.893 47 N CB -0.090 38.325 38.487 -0.120 0.000 0.957 47 N HN 0.484 nan 8.380 nan 0.000 0.442 48 N N -0.065 118.597 118.700 -0.063 0.000 2.235 48 N HA 0.159 4.899 4.740 0.001 0.000 0.231 48 N C -0.237 175.251 175.510 -0.037 0.000 1.177 48 N CA -0.176 52.848 53.050 -0.044 0.000 0.874 48 N CB 1.007 39.472 38.487 -0.036 0.000 1.097 48 N HN 0.262 nan 8.380 nan 0.000 0.518 49 I N 1.243 121.787 120.570 -0.043 0.000 2.575 49 I HA 0.009 4.179 4.170 0.001 0.000 0.285 49 I C -0.013 176.091 176.117 -0.022 0.000 1.085 49 I CA -0.245 61.035 61.300 -0.033 0.000 1.403 49 I CB 0.742 38.718 38.000 -0.040 0.000 1.409 49 I HN -0.010 nan 8.210 nan 0.000 0.557 50 Q N 5.477 125.270 119.800 -0.011 0.000 2.230 50 Q HA 0.492 4.832 4.340 0.001 0.000 0.248 50 Q C -0.128 175.874 176.000 0.003 0.000 0.915 50 Q CA -0.856 54.945 55.803 -0.003 0.000 0.900 50 Q CB 1.364 30.104 28.738 0.003 0.000 1.229 50 Q HN 0.777 nan 8.270 nan 0.000 0.439 51 A N 2.478 125.301 122.820 0.005 0.000 2.561 51 A HA -0.018 4.302 4.320 0.001 0.000 0.251 51 A C 0.129 177.726 177.584 0.021 0.000 1.062 51 A CA 0.457 52.502 52.037 0.012 0.000 0.761 51 A CB -0.361 18.647 19.000 0.013 0.000 0.986 51 A HN 0.963 nan 8.150 nan 0.000 0.510 52 E N -0.282 119.937 120.200 0.031 0.000 3.687 52 E HA -0.173 4.178 4.350 0.001 0.000 0.319 52 E C 0.104 176.744 176.600 0.066 0.000 0.821 52 E CA 1.028 57.459 56.400 0.051 0.000 1.195 52 E CB -1.533 28.194 29.700 0.044 0.000 1.605 52 E HN 0.949 nan 8.360 nan 0.000 0.419 53 E N 0.893 121.124 120.200 0.052 0.000 2.366 53 E HA 0.279 4.629 4.350 0.001 0.000 0.266 53 E C -0.397 176.257 176.600 0.090 0.000 1.051 53 E CA -0.532 55.901 56.400 0.056 0.000 0.884 53 E CB 0.653 30.370 29.700 0.029 0.000 1.006 53 E HN 0.048 nan 8.360 nan 0.000 0.417 54 L N 5.142 126.428 121.223 0.106 0.000 2.367 54 L HA 0.178 4.519 4.340 0.001 0.000 0.275 54 L C -0.594 176.338 176.870 0.103 0.000 1.129 54 L CA 0.075 55.006 54.840 0.152 0.000 0.839 54 L CB 1.052 43.195 42.059 0.140 0.000 1.133 54 L HN 0.383 nan 8.230 nan 0.000 0.453 55 V N 1.552 121.538 119.914 0.120 0.000 2.919 55 V HA 0.703 4.824 4.120 0.001 0.000 0.316 55 V C -0.552 175.604 176.094 0.104 0.000 1.077 55 V CA -0.802 61.525 62.300 0.046 0.000 0.977 55 V CB 1.966 33.752 31.823 -0.063 0.000 1.039 55 V HN 0.795 nan 8.190 nan 0.000 0.441 56 E N 1.835 122.050 120.200 0.024 0.000 2.199 56 E HA 0.542 4.893 4.350 0.001 0.000 0.265 56 E C -1.691 174.918 176.600 0.014 0.000 0.882 56 E CA -0.417 56.043 56.400 0.100 0.000 0.759 56 E CB 2.202 31.947 29.700 0.075 0.000 1.148 56 E HN 0.644 nan 8.360 nan 0.000 0.412 57 F N 1.215 121.186 119.950 0.035 0.000 2.375 57 F HA 0.038 4.565 4.527 0.001 0.000 0.333 57 F C 1.953 177.769 175.800 0.026 0.000 1.104 57 F CA -0.224 57.792 58.000 0.027 0.000 1.149 57 F CB 1.379 40.393 39.000 0.023 0.000 1.190 57 F HN 0.495 nan 8.300 nan 0.000 0.533 58 S N -0.283 115.513 115.700 0.160 0.000 2.419 58 S HA -0.220 4.251 4.470 0.001 0.000 0.235 58 S C 1.947 176.613 174.600 0.111 0.000 1.019 58 S CA 1.280 59.542 58.200 0.102 0.000 0.982 58 S CB -0.906 62.336 63.200 0.070 0.000 0.789 58 S HN 0.697 nan 8.310 nan 0.000 0.490 59 S N 0.468 116.255 115.700 0.146 0.000 2.515 59 S HA 0.380 4.851 4.470 0.001 0.000 0.231 59 S C 1.677 176.329 174.600 0.087 0.000 0.987 59 S CA 0.842 59.101 58.200 0.099 0.000 0.936 59 S CB -0.591 62.657 63.200 0.081 0.000 0.766 59 S HN 1.447 nan 8.310 nan 0.000 0.528 60 G N -0.036 108.835 108.800 0.118 0.000 2.307 60 G HA2 -0.223 3.738 3.960 0.001 0.000 0.210 60 G HA3 -0.223 3.738 3.960 0.001 0.000 0.210 60 G C 0.128 175.098 174.900 0.117 0.000 1.005 60 G CA -0.150 45.009 45.100 0.098 0.000 0.634 60 G HN 1.033 nan 8.290 nan 0.000 0.496 61 V N 2.437 122.416 119.914 0.109 0.000 2.572 61 V HA 0.559 4.680 4.120 0.001 0.000 0.291 61 V C 0.669 176.885 176.094 0.202 0.000 1.039 61 V CA 0.135 62.482 62.300 0.078 0.000 1.055 61 V CB 0.964 32.743 31.823 -0.074 0.000 0.969 61 V HN 0.356 nan 8.190 nan 0.000 0.482 62 K N 4.249 124.783 120.400 0.223 0.000 2.090 62 K HA 0.775 5.096 4.320 0.001 0.000 0.250 62 K C 0.161 176.961 176.600 0.333 0.000 1.004 62 K CA 0.195 56.681 56.287 0.332 0.000 0.919 62 K CB 1.626 34.319 32.500 0.320 0.000 1.045 62 K HN 0.964 nan 8.250 nan 0.000 0.471 63 G N 0.312 109.322 108.800 0.351 0.000 2.663 63 G HA2 0.570 4.531 3.960 0.001 0.000 0.299 63 G HA3 0.570 4.531 3.960 0.001 0.000 0.299 63 G C -1.885 173.066 174.900 0.085 0.000 1.372 63 G CA -0.689 44.446 45.100 0.058 0.000 0.781 63 G HN 0.486 nan 8.290 nan 0.000 0.491 64 M N 0.582 120.129 119.600 -0.088 0.000 2.277 64 M HA 0.636 5.116 4.480 0.001 0.000 0.282 64 M C -0.911 175.388 176.300 -0.002 0.000 1.074 64 M CA -0.781 54.536 55.300 0.029 0.000 0.954 64 M CB 1.898 34.545 32.600 0.079 0.000 1.672 64 M HN 0.942 nan 8.290 nan 0.000 0.471 65 A N 5.448 128.287 122.820 0.030 0.000 2.396 65 A HA 0.476 4.797 4.320 0.001 0.000 0.279 65 A C 0.067 177.657 177.584 0.010 0.000 1.165 65 A CA -0.337 51.707 52.037 0.013 0.000 0.824 65 A CB -0.087 18.917 19.000 0.008 0.000 1.100 65 A HN 1.045 nan 8.150 nan 0.000 0.516 66 L N 1.480 122.701 121.223 -0.003 0.000 2.642 66 L HA 0.182 4.523 4.340 0.001 0.000 0.233 66 L C -0.074 176.798 176.870 0.004 0.000 1.077 66 L CA 0.158 54.997 54.840 -0.001 0.000 0.879 66 L CB 0.180 42.226 42.059 -0.021 0.000 1.151 66 L HN 0.593 nan 8.230 nan 0.000 0.495 67 N N 1.103 119.803 118.700 0.000 0.000 2.479 67 N HA 0.417 5.158 4.740 0.001 0.000 0.261 67 N C -1.052 174.458 175.510 -0.000 0.000 0.979 67 N CA -0.101 52.950 53.050 0.003 0.000 0.930 67 N CB 1.372 39.860 38.487 0.002 0.000 1.172 67 N HN -0.002 nan 8.380 nan 0.000 0.499 68 L N 2.539 123.761 121.223 -0.001 0.000 2.283 68 L HA 0.463 4.804 4.340 0.001 0.000 0.281 68 L C 0.241 177.107 176.870 -0.007 0.000 1.033 68 L CA -0.590 54.245 54.840 -0.009 0.000 0.848 68 L CB 0.458 42.509 42.059 -0.013 0.000 1.226 68 L HN 0.365 nan 8.230 nan 0.000 0.429 69 E N 2.694 122.891 120.200 -0.006 0.000 2.243 69 E HA 0.412 4.763 4.350 0.001 0.000 0.260 69 E C -1.933 174.664 176.600 -0.006 0.000 0.985 69 E CA -1.902 54.498 56.400 -0.000 0.000 0.858 69 E CB 1.066 30.772 29.700 0.009 0.000 1.210 69 E HN 0.197 nan 8.360 nan 0.000 0.411 70 P HA -0.163 nan 4.420 nan 0.000 0.213 70 P C 1.361 178.663 177.300 0.004 0.000 1.170 70 P CA 1.575 64.674 63.100 -0.001 0.000 0.902 70 P CB -0.172 31.534 31.700 0.010 0.000 0.789 71 G N -1.377 107.445 108.800 0.037 0.000 2.509 71 G HA2 -0.069 3.892 3.960 0.001 0.000 0.218 71 G HA3 -0.069 3.892 3.960 0.001 0.000 0.218 71 G C 0.436 175.402 174.900 0.110 0.000 1.124 71 G CA 0.456 45.611 45.100 0.093 0.000 0.776 71 G HN 0.535 nan 8.290 nan 0.000 0.547 72 Q N -2.333 117.489 119.800 0.036 0.000 2.900 72 Q HA 0.456 4.796 4.340 0.001 0.000 0.297 72 Q C -2.217 173.785 176.000 0.003 0.000 0.889 72 Q CA -0.963 54.867 55.803 0.045 0.000 0.777 72 Q CB 1.235 30.036 28.738 0.104 0.000 1.518 72 Q HN -0.054 nan 8.270 nan 0.000 0.430 73 V N 0.671 120.588 119.914 0.005 0.000 2.444 73 V HA 0.676 4.796 4.120 0.001 0.000 0.294 73 V C 0.284 176.390 176.094 0.019 0.000 1.022 73 V CA -0.145 62.153 62.300 -0.003 0.000 0.850 73 V CB 1.462 33.269 31.823 -0.026 0.000 0.992 73 V HN 0.820 nan 8.190 nan 0.000 0.426 74 G N 5.204 114.013 108.800 0.015 0.000 2.349 74 G HA2 0.633 4.594 3.960 0.001 0.000 0.281 74 G HA3 0.633 4.594 3.960 0.001 0.000 0.281 74 G C -0.655 174.253 174.900 0.014 0.000 1.182 74 G CA -0.190 44.920 45.100 0.017 0.000 0.899 74 G HN 0.615 nan 8.290 nan 0.000 0.455 75 I N 2.601 123.191 120.570 0.034 0.000 2.466 75 I HA 0.252 4.423 4.170 0.001 0.000 0.289 75 I C 0.141 176.250 176.117 -0.013 0.000 1.026 75 I CA -1.168 60.154 61.300 0.037 0.000 1.078 75 I CB 2.347 40.428 38.000 0.134 0.000 1.249 75 I HN 0.393 nan 8.210 nan 0.000 0.429 76 V N 5.623 125.474 119.914 -0.105 0.000 2.567 76 V HA 0.580 4.700 4.120 0.001 0.000 0.289 76 V C -0.257 175.635 176.094 -0.337 0.000 1.049 76 V CA -0.582 61.597 62.300 -0.201 0.000 0.969 76 V CB 1.269 32.951 31.823 -0.235 0.000 0.995 76 V HN 0.525 nan 8.190 nan 0.000 0.471 77 L N 3.569 124.602 121.223 -0.316 0.000 2.343 77 L HA 0.518 4.859 4.340 0.001 0.000 0.275 77 L C -0.079 176.585 176.870 -0.344 0.000 1.056 77 L CA -0.453 54.183 54.840 -0.340 0.000 0.804 77 L CB 1.018 42.896 42.059 -0.303 0.000 1.203 77 L HN 0.554 nan 8.230 nan 0.000 0.440 78 F N 1.098 121.057 119.950 0.015 0.000 2.777 78 F HA 0.434 4.961 4.527 0.001 0.000 0.291 78 F C 1.067 176.874 175.800 0.012 0.000 1.187 78 F CA -0.256 57.764 58.000 0.033 0.000 1.406 78 F CB -0.053 38.981 39.000 0.057 0.000 0.982 78 F HN 0.612 nan 8.300 nan 0.000 0.509 79 G N -1.302 107.550 108.800 0.087 0.000 2.562 79 G HA2 0.281 4.242 3.960 0.001 0.000 0.190 79 G HA3 0.281 4.242 3.960 0.001 0.000 0.190 79 G C -0.936 173.957 174.900 -0.012 0.000 1.196 79 G CA -0.489 44.641 45.100 0.050 0.000 0.986 79 G HN -0.041 nan 8.290 nan 0.000 0.512 80 S N -0.356 115.329 115.700 -0.024 0.000 2.624 80 S HA 0.409 4.879 4.470 0.001 0.000 0.263 80 S C 0.760 175.303 174.600 -0.095 0.000 1.287 80 S CA 0.746 58.920 58.200 -0.043 0.000 0.990 80 S CB 1.014 64.198 63.200 -0.027 0.000 0.950 80 S HN 0.644 nan 8.310 nan 0.000 0.561 81 D N 0.160 120.505 120.400 -0.092 0.000 2.479 81 D HA 0.014 4.655 4.640 0.001 0.000 0.221 81 D C 1.578 177.828 176.300 -0.085 0.000 1.104 81 D CA -0.050 53.874 54.000 -0.127 0.000 0.849 81 D CB -0.381 40.350 40.800 -0.116 0.000 1.072 81 D HN 0.630 nan 8.370 nan 0.000 0.502 82 R N 1.114 121.582 120.500 -0.053 0.000 2.153 82 R HA -0.142 4.199 4.340 0.001 0.000 0.252 82 R C 1.485 177.769 176.300 -0.026 0.000 1.158 82 R CA 1.382 57.463 56.100 -0.032 0.000 0.975 82 R CB -0.922 29.366 30.300 -0.020 0.000 0.871 82 R HN 0.232 nan 8.270 nan 0.000 0.450 83 L N 1.542 122.746 121.223 -0.032 0.000 2.592 83 L HA 0.209 4.550 4.340 0.001 0.000 0.227 83 L C -0.010 176.855 176.870 -0.009 0.000 1.127 83 L CA -0.396 54.435 54.840 -0.015 0.000 0.884 83 L CB 0.691 42.747 42.059 -0.005 0.000 1.065 83 L HN -0.018 nan 8.230 nan 0.000 0.457 84 V N 0.333 120.224 119.914 -0.038 0.000 2.567 84 V HA 0.266 4.387 4.120 0.001 0.000 0.289 84 V C 0.015 176.118 176.094 0.016 0.000 1.049 84 V CA -0.533 61.759 62.300 -0.013 0.000 0.969 84 V CB 1.529 33.287 31.823 -0.108 0.000 0.995 84 V HN 0.169 nan 8.190 nan 0.000 0.471 85 K N 1.890 122.322 120.400 0.054 0.000 2.469 85 K HA 0.382 4.703 4.320 0.001 0.000 0.254 85 K C -0.498 176.138 176.600 0.059 0.000 0.939 85 K CA -0.836 55.477 56.287 0.044 0.000 0.812 85 K CB 2.593 35.115 32.500 0.037 0.000 1.301 85 K HN 0.805 nan 8.250 nan 0.000 0.433 86 E N 0.515 120.740 120.200 0.042 0.000 2.568 86 E HA -0.113 4.238 4.350 0.001 0.000 0.262 86 E C 0.628 177.252 176.600 0.040 0.000 0.961 86 E CA 1.722 58.147 56.400 0.040 0.000 0.945 86 E CB 0.205 29.917 29.700 0.020 0.000 0.924 86 E HN 0.782 nan 8.360 nan 0.000 0.467 87 G N 3.597 112.423 108.800 0.043 0.000 2.299 87 G HA2 -0.385 3.576 3.960 0.001 0.000 0.237 87 G HA3 -0.385 3.576 3.960 0.001 0.000 0.237 87 G C 0.297 175.227 174.900 0.049 0.000 1.027 87 G CA 0.438 45.560 45.100 0.036 0.000 0.619 87 G HN 0.750 nan 8.290 nan 0.000 0.513 88 E N 0.401 120.642 120.200 0.068 0.000 2.492 88 E HA 0.276 4.626 4.350 0.001 0.000 0.266 88 E C 0.197 176.833 176.600 0.059 0.000 1.047 88 E CA -0.096 56.353 56.400 0.082 0.000 0.968 88 E CB 0.267 30.049 29.700 0.136 0.000 0.960 88 E HN 0.596 nan 8.360 nan 0.000 0.452 89 L N 4.777 126.021 121.223 0.034 0.000 2.272 89 L HA 0.384 4.725 4.340 0.001 0.000 0.289 89 L C -1.266 175.545 176.870 -0.097 0.000 1.032 89 L CA -0.780 54.050 54.840 -0.017 0.000 0.810 89 L CB 1.211 43.268 42.059 -0.003 0.000 1.205 89 L HN 0.396 nan 8.230 nan 0.000 0.422 90 V N 4.595 124.388 119.914 -0.203 0.000 2.547 90 V HA 0.506 4.627 4.120 0.001 0.000 0.299 90 V C -0.283 175.661 176.094 -0.249 0.000 1.040 90 V CA -0.835 61.215 62.300 -0.417 0.000 0.913 90 V CB 1.644 33.052 31.823 -0.691 0.000 0.992 90 V HN 0.664 nan 8.190 nan 0.000 0.449 91 K N 3.415 123.683 120.400 -0.221 0.000 2.426 91 K HA 0.508 4.829 4.320 0.001 0.000 0.254 91 K C -0.282 176.265 176.600 -0.088 0.000 0.936 91 K CA -0.801 55.417 56.287 -0.114 0.000 0.801 91 K CB 1.643 34.103 32.500 -0.065 0.000 1.139 91 K HN 0.672 nan 8.250 nan 0.000 0.424 92 R N 1.440 121.901 120.500 -0.066 0.000 2.698 92 R HA -0.002 4.339 4.340 0.001 0.000 0.266 92 R C 0.475 176.765 176.300 -0.016 0.000 1.026 92 R CA 0.517 56.594 56.100 -0.038 0.000 1.102 92 R CB 0.496 30.776 30.300 -0.034 0.000 0.978 92 R HN 0.673 nan 8.270 nan 0.000 0.436 93 T N -0.152 114.403 114.554 0.001 0.000 3.018 93 T HA 0.140 4.491 4.350 0.001 0.000 0.246 93 T C 1.139 175.844 174.700 0.008 0.000 1.026 93 T CA 0.565 62.672 62.100 0.012 0.000 1.081 93 T CB 0.526 69.412 68.868 0.031 0.000 0.970 93 T HN 0.903 nan 8.240 nan 0.000 0.475 94 G N 2.147 110.951 108.800 0.006 0.000 2.175 94 G HA2 -0.212 3.749 3.960 0.001 0.000 0.244 94 G HA3 -0.212 3.749 3.960 0.001 0.000 0.244 94 G C -0.194 174.712 174.900 0.010 0.000 0.982 94 G CA -0.211 44.892 45.100 0.004 0.000 0.641 94 G HN 0.573 nan 8.290 nan 0.000 0.527 95 N N 0.369 119.080 118.700 0.018 0.000 2.354 95 N HA 0.579 5.320 4.740 0.001 0.000 0.287 95 N C -0.081 175.448 175.510 0.032 0.000 1.016 95 N CA -1.189 51.874 53.050 0.022 0.000 0.871 95 N CB 1.521 40.021 38.487 0.022 0.000 1.299 95 N HN -0.022 nan 8.380 nan 0.000 0.482 96 I N 2.106 122.692 120.570 0.027 0.000 2.683 96 I HA -0.023 4.148 4.170 0.001 0.000 0.286 96 I C 0.807 176.947 176.117 0.039 0.000 1.175 96 I CA -0.146 61.174 61.300 0.034 0.000 1.429 96 I CB -0.039 37.973 38.000 0.021 0.000 1.371 96 I HN 0.315 nan 8.210 nan 0.000 0.569 97 V N 7.290 127.241 119.914 0.062 0.000 2.790 97 V HA -0.068 4.053 4.120 0.001 0.000 0.304 97 V C 0.433 176.541 176.094 0.023 0.000 1.142 97 V CA 0.504 62.840 62.300 0.060 0.000 1.282 97 V CB -0.210 31.678 31.823 0.109 0.000 0.877 97 V HN 0.976 nan 8.190 nan 0.000 0.504 98 D N 3.424 123.826 120.400 0.003 0.000 2.752 98 D HA 0.740 5.380 4.640 0.001 0.000 0.313 98 D C -0.883 175.405 176.300 -0.019 0.000 1.225 98 D CA -0.488 53.510 54.000 -0.002 0.000 0.976 98 D CB 2.151 42.953 40.800 0.003 0.000 1.443 98 D HN 0.521 nan 8.370 nan 0.000 0.515 99 V N -4.762 115.144 119.914 -0.014 0.000 3.120 99 V HA 0.631 4.752 4.120 0.001 0.000 0.303 99 V C -2.925 173.152 176.094 -0.027 0.000 1.238 99 V CA -1.990 60.296 62.300 -0.025 0.000 1.008 99 V CB 1.803 33.614 31.823 -0.020 0.000 1.064 99 V HN 0.590 nan 8.190 nan 0.000 0.434 100 P HA 0.331 nan 4.420 nan 0.000 0.268 100 P C -0.505 176.741 177.300 -0.090 0.000 1.205 100 P CA 0.223 63.285 63.100 -0.065 0.000 0.771 100 P CB 1.400 33.059 31.700 -0.070 0.000 0.858 101 V N -0.876 118.955 119.914 -0.138 0.000 3.130 101 V HA 1.023 5.144 4.120 0.001 0.000 0.310 101 V C -0.143 175.640 176.094 -0.517 0.000 1.158 101 V CA -0.434 61.728 62.300 -0.230 0.000 1.029 101 V CB 1.529 33.299 31.823 -0.087 0.000 1.057 101 V HN 0.993 nan 8.190 nan 0.000 0.436 102 G N 1.666 109.915 108.800 -0.917 0.000 2.326 102 G HA2 0.266 4.227 3.960 0.001 0.000 0.413 102 G HA3 0.266 4.227 3.960 0.001 0.000 0.413 102 G C -2.585 171.621 174.900 -1.156 0.000 1.444 102 G CA 0.011 44.193 45.100 -1.530 0.000 1.002 102 G HN 0.711 nan 8.290 nan 0.000 0.649 103 P HA -0.020 nan 4.420 nan 0.000 0.228 103 P C 1.824 178.944 177.300 -0.300 0.000 1.151 103 P CA 1.549 64.284 63.100 -0.610 0.000 0.770 103 P CB -0.119 31.318 31.700 -0.439 0.000 0.786 104 G N 0.329 108.933 108.800 -0.327 0.000 2.470 104 G HA2 -0.194 3.767 3.960 0.001 0.000 0.220 104 G HA3 -0.194 3.767 3.960 0.001 0.000 0.220 104 G C 1.331 176.155 174.900 -0.126 0.000 1.121 104 G CA 0.293 45.282 45.100 -0.185 0.000 0.766 104 G HN 0.227 nan 8.290 nan 0.000 0.553 105 L N 0.246 121.384 121.223 -0.141 0.000 2.478 105 L HA 0.264 4.605 4.340 0.001 0.000 0.223 105 L C 1.251 178.121 176.870 0.001 0.000 1.140 105 L CA 0.088 54.889 54.840 -0.064 0.000 0.842 105 L CB -0.260 41.762 42.059 -0.061 0.000 0.953 105 L HN 0.108 nan 8.230 nan 0.000 0.452 106 L N -0.179 121.059 121.223 0.025 0.000 2.485 106 L HA 0.195 4.536 4.340 0.001 0.000 0.275 106 L C 1.551 178.449 176.870 0.047 0.000 1.207 106 L CA 0.617 55.507 54.840 0.084 0.000 0.855 106 L CB -0.116 42.027 42.059 0.141 0.000 1.114 106 L HN 0.380 nan 8.230 nan 0.000 0.485 107 G N 1.438 110.262 108.800 0.040 0.000 2.189 107 G HA2 -0.228 3.733 3.960 0.001 0.000 0.267 107 G HA3 -0.228 3.733 3.960 0.001 0.000 0.267 107 G C 0.356 175.254 174.900 -0.003 0.000 0.975 107 G CA -0.169 44.932 45.100 0.002 0.000 0.644 107 G HN 0.473 nan 8.290 nan 0.000 0.537 108 R N -0.672 119.831 120.500 0.006 0.000 2.758 108 R HA 0.744 5.085 4.340 0.001 0.000 0.265 108 R C -0.288 176.017 176.300 0.008 0.000 1.016 108 R CA -0.764 55.336 56.100 0.001 0.000 1.040 108 R CB 1.695 31.992 30.300 -0.006 0.000 1.152 108 R HN 0.243 nan 8.270 nan 0.000 0.503 109 V N 2.003 121.920 119.914 0.005 0.000 2.444 109 V HA 0.468 4.588 4.120 0.001 0.000 0.294 109 V C 0.016 176.115 176.094 0.008 0.000 1.022 109 V CA -0.786 61.522 62.300 0.013 0.000 0.850 109 V CB 1.645 33.476 31.823 0.015 0.000 0.992 109 V HN 0.621 nan 8.190 nan 0.000 0.426 110 V N 1.091 121.010 119.914 0.009 0.000 3.141 110 V HA 0.879 5.000 4.120 0.001 0.000 0.312 110 V C -0.578 175.516 176.094 0.000 0.000 1.157 110 V CA -0.788 61.512 62.300 -0.001 0.000 1.041 110 V CB 2.208 34.025 31.823 -0.009 0.000 1.071 110 V HN 0.808 nan 8.190 nan 0.000 0.441 111 D N 1.262 121.657 120.400 -0.008 0.000 2.511 111 D HA 0.610 5.251 4.640 0.001 0.000 0.276 111 D C 1.252 177.536 176.300 -0.027 0.000 1.220 111 D CA 0.094 54.089 54.000 -0.009 0.000 1.077 111 D CB 1.182 41.979 40.800 -0.006 0.000 1.126 111 D HN 0.842 nan 8.370 nan 0.000 0.583 112 A N -0.568 122.231 122.820 -0.034 0.000 1.908 112 A HA -0.107 4.214 4.320 0.001 0.000 0.218 112 A C 2.196 179.722 177.584 -0.098 0.000 1.181 112 A CA 1.402 53.406 52.037 -0.055 0.000 0.627 112 A CB -1.018 17.952 19.000 -0.050 0.000 0.818 112 A HN 0.527 nan 8.150 nan 0.000 0.445 113 L N -1.162 119.978 121.223 -0.137 0.000 2.627 113 L HA 0.282 4.622 4.340 0.001 0.000 0.232 113 L C 1.522 178.343 176.870 -0.082 0.000 1.150 113 L CA 0.510 55.261 54.840 -0.148 0.000 0.917 113 L CB -0.043 41.888 42.059 -0.213 0.000 1.104 113 L HN 0.577 nan 8.230 nan 0.000 0.445 114 G N -0.577 108.189 108.800 -0.057 0.000 2.157 114 G HA2 -0.258 3.703 3.960 0.001 0.000 0.248 114 G HA3 -0.258 3.703 3.960 0.001 0.000 0.248 114 G C 0.129 175.008 174.900 -0.035 0.000 0.979 114 G CA -0.364 44.711 45.100 -0.041 0.000 0.650 114 G HN 0.406 nan 8.290 nan 0.000 0.529 115 N N 1.718 120.399 118.700 -0.033 0.000 2.513 115 N HA 0.319 5.060 4.740 0.001 0.000 0.268 115 N C -2.763 172.738 175.510 -0.015 0.000 1.180 115 N CA -0.743 52.294 53.050 -0.022 0.000 0.948 115 N CB 1.009 39.486 38.487 -0.016 0.000 1.083 115 N HN 0.099 nan 8.380 nan 0.000 0.455 116 P HA 0.095 nan 4.420 nan 0.000 0.270 116 P C 0.620 177.918 177.300 -0.004 0.000 1.242 116 P CA 0.021 63.115 63.100 -0.010 0.000 0.768 116 P CB 0.089 31.781 31.700 -0.012 0.000 0.820 117 I N 0.264 120.834 120.570 -0.000 0.000 4.018 117 I HA 0.164 4.334 4.170 0.001 0.000 0.337 117 I C 0.489 176.608 176.117 0.005 0.000 1.327 117 I CA 0.039 61.342 61.300 0.005 0.000 1.100 117 I CB -0.154 37.851 38.000 0.009 0.000 1.025 117 I HN 0.024 nan 8.210 nan 0.000 0.396 118 D N 1.291 121.692 120.400 0.001 0.000 2.340 118 D HA 0.099 4.740 4.640 0.001 0.000 0.220 118 D C 1.624 177.923 176.300 -0.002 0.000 1.039 118 D CA 0.410 54.410 54.000 -0.000 0.000 0.866 118 D CB -0.338 40.461 40.800 -0.003 0.000 0.913 118 D HN 0.394 nan 8.370 nan 0.000 0.523 119 G N 0.968 109.767 108.800 -0.002 0.000 2.323 119 G HA2 -0.358 3.603 3.960 0.001 0.000 0.292 119 G HA3 -0.358 3.603 3.960 0.001 0.000 0.292 119 G C 0.467 175.364 174.900 -0.004 0.000 1.040 119 G CA 0.427 45.526 45.100 -0.002 0.000 0.942 119 G HN 0.481 nan 8.290 nan 0.000 0.506 120 K N -0.124 120.272 120.400 -0.006 0.000 2.537 120 K HA 0.471 4.791 4.320 0.001 0.000 0.206 120 K C 1.341 177.935 176.600 -0.010 0.000 1.041 120 K CA 0.050 56.332 56.287 -0.008 0.000 1.090 120 K CB 0.750 33.244 32.500 -0.009 0.000 0.833 120 K HN 1.420 nan 8.250 nan 0.000 0.493 121 G N 2.625 111.419 108.800 -0.009 0.000 2.725 121 G HA2 -0.212 3.748 3.960 0.001 0.000 0.220 121 G HA3 -0.212 3.748 3.960 0.001 0.000 0.220 121 G C -2.755 172.137 174.900 -0.014 0.000 1.357 121 G CA -1.224 43.870 45.100 -0.010 0.000 0.866 121 G HN 0.043 nan 8.290 nan 0.000 0.548 122 P HA 0.381 nan 4.420 nan 0.000 0.267 122 P C 0.460 177.743 177.300 -0.029 0.000 1.205 122 P CA -0.424 62.664 63.100 -0.021 0.000 0.765 122 P CB 0.363 32.051 31.700 -0.020 0.000 0.828 123 I N 3.051 123.600 120.570 -0.035 0.000 2.692 123 I HA 0.050 4.220 4.170 0.001 0.000 0.284 123 I C 0.678 176.760 176.117 -0.058 0.000 1.159 123 I CA 0.313 61.584 61.300 -0.049 0.000 1.423 123 I CB -0.187 37.780 38.000 -0.055 0.000 1.380 123 I HN 0.282 nan 8.210 nan 0.000 0.580 124 D N 4.584 124.941 120.400 -0.073 0.000 2.232 124 D HA 0.545 5.186 4.640 0.001 0.000 0.242 124 D C -0.153 176.072 176.300 -0.126 0.000 1.093 124 D CA -0.127 53.823 54.000 -0.084 0.000 0.845 124 D CB 1.707 42.464 40.800 -0.072 0.000 1.124 124 D HN 0.607 nan 8.370 nan 0.000 0.467 125 A N 1.546 124.296 122.820 -0.118 0.000 2.288 125 A HA 0.618 4.939 4.320 0.001 0.000 0.320 125 A C 0.969 178.465 177.584 -0.147 0.000 1.217 125 A CA -0.423 51.524 52.037 -0.151 0.000 0.840 125 A CB 1.377 20.312 19.000 -0.108 0.000 1.179 125 A HN 0.547 nan 8.150 nan 0.000 0.504 126 A N 2.369 125.056 122.820 -0.222 0.000 1.930 126 A HA 0.439 4.760 4.320 0.001 0.000 0.217 126 A C 1.264 178.822 177.584 -0.043 0.000 1.175 126 A CA 1.966 53.921 52.037 -0.137 0.000 0.627 126 A CB -0.338 18.541 19.000 -0.202 0.000 0.815 126 A HN 2.006 nan 8.150 nan 0.000 0.443 127 G N -1.909 106.857 108.800 -0.056 0.000 2.570 127 G HA2 0.542 4.502 3.960 0.001 0.000 0.310 127 G HA3 0.542 4.502 3.960 0.001 0.000 0.310 127 G C -1.362 173.528 174.900 -0.017 0.000 1.266 127 G CA -0.963 44.134 45.100 -0.005 0.000 0.825 127 G HN 0.170 nan 8.290 nan 0.000 0.483 128 R N 0.587 121.090 120.500 0.005 0.000 2.467 128 R HA 0.509 4.850 4.340 0.001 0.000 0.299 128 R C -0.748 175.562 176.300 0.017 0.000 1.120 128 R CA -0.449 55.651 56.100 0.001 0.000 0.940 128 R CB 1.730 32.027 30.300 -0.006 0.000 1.161 128 R HN 0.405 nan 8.270 nan 0.000 0.506 129 S N 2.235 117.951 115.700 0.026 0.000 2.565 129 S HA 0.285 4.756 4.470 0.001 0.000 0.274 129 S C 0.551 175.163 174.600 0.020 0.000 1.309 129 S CA -0.634 57.585 58.200 0.031 0.000 1.043 129 S CB 1.082 64.311 63.200 0.048 0.000 0.939 129 S HN 0.373 nan 8.310 nan 0.000 0.504 130 R N 0.690 121.200 120.500 0.016 0.000 2.827 130 R HA 0.173 4.513 4.340 0.001 0.000 0.269 130 R C 1.486 177.796 176.300 0.015 0.000 1.048 130 R CA 0.188 56.295 56.100 0.011 0.000 1.173 130 R CB 0.083 30.386 30.300 0.005 0.000 1.070 130 R HN 0.788 nan 8.270 nan 0.000 0.498 131 A N 1.570 124.396 122.820 0.010 0.000 1.872 131 A HA -0.080 4.241 4.320 0.001 0.000 0.214 131 A C 0.486 178.065 177.584 -0.008 0.000 1.187 131 A CA 1.109 53.160 52.037 0.024 0.000 0.614 131 A CB 0.118 19.133 19.000 0.025 0.000 0.826 131 A HN 0.499 nan 8.150 nan 0.000 0.442 132 Q N 0.825 120.575 119.800 -0.082 0.000 2.456 132 Q HA 0.440 4.781 4.340 0.001 0.000 0.234 132 Q C -1.144 174.816 176.000 -0.066 0.000 1.061 132 Q CA -0.022 55.688 55.803 -0.154 0.000 0.896 132 Q CB 1.074 29.677 28.738 -0.226 0.000 1.233 132 Q HN 0.241 nan 8.270 nan 0.000 0.506 133 V N 2.279 122.175 119.914 -0.030 0.000 2.547 133 V HA 0.325 4.446 4.120 0.001 0.000 0.299 133 V C 0.591 176.682 176.094 -0.005 0.000 1.040 133 V CA -1.012 61.285 62.300 -0.005 0.000 0.913 133 V CB 1.745 33.578 31.823 0.017 0.000 0.992 133 V HN 0.537 nan 8.190 nan 0.000 0.449 134 K N 2.136 122.539 120.400 0.005 0.000 2.469 134 K HA 0.369 4.690 4.320 0.001 0.000 0.274 134 K C 0.300 176.912 176.600 0.020 0.000 0.983 134 K CA 0.122 56.419 56.287 0.017 0.000 0.974 134 K CB 0.490 33.002 32.500 0.021 0.000 0.913 134 K HN 0.883 nan 8.250 nan 0.000 0.493 135 A N 4.046 126.882 122.820 0.027 0.000 2.322 135 A HA 0.330 4.651 4.320 0.001 0.000 0.269 135 A C -2.059 175.540 177.584 0.025 0.000 1.094 135 A CA -1.410 50.643 52.037 0.027 0.000 0.807 135 A CB -0.205 18.813 19.000 0.030 0.000 1.047 135 A HN 0.503 nan 8.150 nan 0.000 0.487 136 P HA 0.159 nan 4.420 nan 0.000 0.265 136 P C 0.569 177.882 177.300 0.021 0.000 1.193 136 P CA 0.395 63.505 63.100 0.017 0.000 0.765 136 P CB 0.414 32.122 31.700 0.014 0.000 0.823 137 G N 1.700 110.512 108.800 0.019 0.000 2.525 137 G HA2 0.107 4.068 3.960 0.001 0.000 0.276 137 G HA3 0.107 4.068 3.960 0.001 0.000 0.276 137 G C 1.082 175.995 174.900 0.022 0.000 1.388 137 G CA -0.545 44.569 45.100 0.022 0.000 1.050 137 G HN 0.314 nan 8.290 nan 0.000 0.520 138 I N -0.873 119.711 120.570 0.022 0.000 2.236 138 I HA -0.140 4.031 4.170 0.001 0.000 0.249 138 I C 2.488 178.615 176.117 0.017 0.000 1.102 138 I CA 0.962 62.274 61.300 0.021 0.000 1.365 138 I CB -0.441 37.571 38.000 0.019 0.000 1.051 138 I HN 0.315 nan 8.210 nan 0.000 0.420 139 L N 0.536 121.768 121.223 0.014 0.000 2.221 139 L HA 0.147 4.488 4.340 0.001 0.000 0.202 139 L C -0.962 175.913 176.870 0.009 0.000 1.074 139 L CA 1.193 56.039 54.840 0.010 0.000 0.795 139 L CB -1.533 40.531 42.059 0.007 0.000 0.960 139 L HN 0.099 nan 8.230 nan 0.000 0.458 140 P HA 0.070 nan 4.420 nan 0.000 0.269 140 P C -0.526 176.779 177.300 0.010 0.000 1.461 140 P CA 0.448 63.551 63.100 0.005 0.000 0.809 140 P CB -0.042 31.659 31.700 0.002 0.000 1.503 141 R N -0.411 120.098 120.500 0.015 0.000 2.939 141 R HA 0.708 5.049 4.340 0.001 0.000 0.254 141 R C -0.057 176.259 176.300 0.027 0.000 1.123 141 R CA -0.919 55.195 56.100 0.023 0.000 1.020 141 R CB 2.164 32.479 30.300 0.026 0.000 1.206 141 R HN -0.108 nan 8.270 nan 0.000 0.491 142 R N -0.086 120.438 120.500 0.041 0.000 2.707 142 R HA 0.279 4.620 4.340 0.001 0.000 0.272 142 R C -1.228 175.114 176.300 0.069 0.000 1.011 142 R CA -0.485 55.645 56.100 0.050 0.000 0.893 142 R CB 2.444 32.783 30.300 0.065 0.000 1.233 142 R HN 0.643 nan 8.270 nan 0.000 0.464 143 S N 1.400 117.139 115.700 0.065 0.000 2.516 143 S HA 0.062 4.532 4.470 0.001 0.000 0.282 143 S C 0.100 174.786 174.600 0.143 0.000 1.286 143 S CA -0.350 57.895 58.200 0.075 0.000 1.066 143 S CB 0.707 63.937 63.200 0.049 0.000 0.884 143 S HN 0.316 nan 8.310 nan 0.000 0.491 144 V N 6.263 126.233 119.914 0.093 0.000 2.509 144 V HA -0.009 4.112 4.120 0.001 0.000 0.297 144 V C 1.309 177.457 176.094 0.090 0.000 1.014 144 V CA 0.651 62.986 62.300 0.059 0.000 1.127 144 V CB -0.339 31.488 31.823 0.007 0.000 0.925 144 V HN 1.012 nan 8.190 nan 0.000 0.480 145 H N 2.394 121.445 119.070 -0.032 0.000 3.007 145 H HA 0.465 5.022 4.556 0.001 0.000 0.251 145 H C -0.147 175.141 175.328 -0.066 0.000 1.188 145 H CA -0.519 55.505 56.048 -0.039 0.000 1.017 145 H CB 0.602 30.347 29.762 -0.028 0.000 1.805 145 H HN 0.634 nan 8.280 nan 0.000 0.659 146 E N 2.154 122.121 120.200 -0.388 0.000 2.234 146 E HA 0.374 4.725 4.350 0.001 0.000 0.266 146 E C -2.973 173.459 176.600 -0.281 0.000 0.877 146 E CA -2.184 53.980 56.400 -0.392 0.000 0.758 146 E CB 2.745 32.122 29.700 -0.538 0.000 1.170 146 E HN 0.131 nan 8.360 nan 0.000 0.415 147 P HA 0.011 nan 4.420 nan 0.000 0.271 147 P C -0.672 176.450 177.300 -0.297 0.000 1.216 147 P CA -0.219 62.743 63.100 -0.230 0.000 0.771 147 P CB 0.604 32.176 31.700 -0.212 0.000 0.864 148 V N 4.938 124.717 119.914 -0.226 0.000 2.218 148 V HA 0.088 4.209 4.120 0.001 0.000 0.261 148 V C 0.632 176.619 176.094 -0.177 0.000 1.142 148 V CA -0.084 62.080 62.300 -0.228 0.000 0.965 148 V CB -0.588 31.143 31.823 -0.153 0.000 1.190 148 V HN 0.516 nan 8.190 nan 0.000 0.478 149 Q N 1.912 121.567 119.800 -0.242 0.000 2.257 149 Q HA 0.013 4.353 4.340 0.001 0.000 0.273 149 Q C 1.532 177.552 176.000 0.034 0.000 1.153 149 Q CA 0.476 56.229 55.803 -0.084 0.000 0.922 149 Q CB 0.752 29.470 28.738 -0.034 0.000 1.242 149 Q HN 0.892 nan 8.270 nan 0.000 0.409 150 T N -1.036 113.533 114.554 0.026 0.000 3.043 150 T HA 0.088 4.439 4.350 0.001 0.000 0.263 150 T C 1.396 176.130 174.700 0.056 0.000 1.094 150 T CA 0.464 62.584 62.100 0.035 0.000 1.127 150 T CB 0.109 68.982 68.868 0.009 0.000 0.905 150 T HN 0.845 nan 8.240 nan 0.000 0.490 151 G N 1.244 110.087 108.800 0.071 0.000 2.168 151 G HA2 -0.216 3.745 3.960 0.001 0.000 0.263 151 G HA3 -0.216 3.745 3.960 0.001 0.000 0.263 151 G C -0.110 174.811 174.900 0.034 0.000 0.977 151 G CA 0.361 45.498 45.100 0.061 0.000 0.659 151 G HN 0.660 nan 8.290 nan 0.000 0.533 152 L N -0.093 121.146 121.223 0.026 0.000 2.272 152 L HA 0.455 4.796 4.340 0.001 0.000 0.289 152 L C 1.663 178.548 176.870 0.024 0.000 1.032 152 L CA -0.907 53.944 54.840 0.017 0.000 0.810 152 L CB 1.292 43.355 42.059 0.007 0.000 1.205 152 L HN 0.017 nan 8.230 nan 0.000 0.422 153 K N 2.372 122.788 120.400 0.027 0.000 2.020 153 K HA -0.223 4.098 4.320 0.001 0.000 0.212 153 K C 1.983 178.604 176.600 0.034 0.000 1.050 153 K CA 1.850 58.158 56.287 0.034 0.000 0.929 153 K CB -0.201 32.323 32.500 0.039 0.000 0.714 153 K HN 0.812 nan 8.250 nan 0.000 0.443 154 A N 0.876 123.715 122.820 0.031 0.000 1.972 154 A HA -0.117 4.204 4.320 0.001 0.000 0.219 154 A C 2.366 179.970 177.584 0.034 0.000 1.169 154 A CA 1.418 53.477 52.037 0.035 0.000 0.635 154 A CB -0.522 18.500 19.000 0.036 0.000 0.810 154 A HN 0.094 nan 8.150 nan 0.000 0.446 155 V N 0.116 120.047 119.914 0.027 0.000 2.273 155 V HA -0.174 3.947 4.120 0.001 0.000 0.242 155 V C 2.178 178.284 176.094 0.020 0.000 1.035 155 V CA 2.198 64.510 62.300 0.021 0.000 1.013 155 V CB -0.754 31.076 31.823 0.012 0.000 0.652 155 V HN 0.456 nan 8.190 nan 0.000 0.452 156 D N 0.166 120.577 120.400 0.019 0.000 2.182 156 D HA -0.131 4.510 4.640 0.001 0.000 0.201 156 D C 2.008 178.322 176.300 0.023 0.000 0.986 156 D CA 1.601 55.611 54.000 0.017 0.000 0.847 156 D CB -0.141 40.674 40.800 0.025 0.000 0.942 156 D HN 0.448 nan 8.370 nan 0.000 0.467 157 A N -0.580 122.259 122.820 0.031 0.000 1.911 157 A HA 0.080 4.401 4.320 0.001 0.000 0.212 157 A C 2.183 179.790 177.584 0.038 0.000 1.189 157 A CA 0.538 52.596 52.037 0.036 0.000 0.639 157 A CB -0.266 18.759 19.000 0.041 0.000 0.839 157 A HN 0.187 nan 8.150 nan 0.000 0.449 158 L N -0.703 120.544 121.223 0.040 0.000 2.269 158 L HA 0.108 4.449 4.340 0.001 0.000 0.200 158 L C 0.983 177.878 176.870 0.042 0.000 1.069 158 L CA 0.742 55.611 54.840 0.047 0.000 0.804 158 L CB 0.163 42.256 42.059 0.056 0.000 0.987 158 L HN 0.274 nan 8.230 nan 0.000 0.468 159 V N -2.478 117.457 119.914 0.035 0.000 2.592 159 V HA 0.422 4.543 4.120 0.001 0.000 0.278 159 V C -2.604 173.498 176.094 0.013 0.000 1.087 159 V CA -1.840 60.478 62.300 0.029 0.000 1.282 159 V CB -0.324 31.520 31.823 0.035 0.000 1.543 159 V HN -0.056 nan 8.190 nan 0.000 0.606 160 P HA 0.312 nan 4.420 nan 0.000 0.268 160 P C -0.346 176.943 177.300 -0.019 0.000 1.204 160 P CA 0.343 63.439 63.100 -0.006 0.000 0.768 160 P CB 1.488 33.185 31.700 -0.006 0.000 0.842 161 I N 2.419 122.968 120.570 -0.034 0.000 2.339 161 I HA 0.409 4.580 4.170 0.001 0.000 0.290 161 I C 1.121 177.194 176.117 -0.073 0.000 0.994 161 I CA -0.260 61.013 61.300 -0.045 0.000 1.191 161 I CB 1.604 39.578 38.000 -0.043 0.000 1.343 161 I HN 0.334 nan 8.210 nan 0.000 0.458 162 G N 4.680 113.438 108.800 -0.069 0.000 2.437 162 G HA2 0.508 4.469 3.960 0.001 0.000 0.319 162 G HA3 0.508 4.469 3.960 0.001 0.000 0.319 162 G C -0.403 174.433 174.900 -0.106 0.000 1.158 162 G CA -0.793 44.247 45.100 -0.100 0.000 0.899 162 G HN 0.523 nan 8.290 nan 0.000 0.502 163 R N 0.255 120.659 120.500 -0.159 0.000 2.402 163 R HA 0.408 4.749 4.340 0.001 0.000 0.331 163 R C 1.211 177.478 176.300 -0.056 0.000 1.040 163 R CA 1.475 57.494 56.100 -0.135 0.000 0.980 163 R CB 0.347 30.495 30.300 -0.253 0.000 0.967 163 R HN 0.992 nan 8.270 nan 0.000 0.440 164 G N 1.880 110.671 108.800 -0.015 0.000 2.260 164 G HA2 -0.239 3.721 3.960 0.001 0.000 0.179 164 G HA3 -0.239 3.721 3.960 0.001 0.000 0.179 164 G C 0.079 174.984 174.900 0.009 0.000 1.002 164 G CA -0.419 44.689 45.100 0.014 0.000 0.677 164 G HN 0.555 nan 8.290 nan 0.000 0.486 165 Q N 0.270 120.066 119.800 -0.007 0.000 2.417 165 Q HA 0.637 4.978 4.340 0.001 0.000 0.241 165 Q C -0.113 175.887 176.000 -0.000 0.000 1.008 165 Q CA -0.239 55.561 55.803 -0.005 0.000 0.901 165 Q CB 0.380 29.108 28.738 -0.017 0.000 1.259 165 Q HN 0.290 nan 8.270 nan 0.000 0.489 166 R N 2.205 122.705 120.500 0.000 0.000 2.275 166 R HA 0.252 4.593 4.340 0.001 0.000 0.326 166 R C -1.408 174.882 176.300 -0.018 0.000 0.973 166 R CA -0.431 55.668 56.100 -0.002 0.000 0.854 166 R CB 1.362 31.660 30.300 -0.004 0.000 1.156 166 R HN 0.449 nan 8.270 nan 0.000 0.487 167 E N 2.838 123.023 120.200 -0.025 0.000 2.145 167 E HA 0.252 4.603 4.350 0.001 0.000 0.270 167 E C -1.324 175.240 176.600 -0.060 0.000 0.906 167 E CA -0.925 55.451 56.400 -0.040 0.000 0.761 167 E CB 0.919 30.598 29.700 -0.035 0.000 1.116 167 E HN 0.331 nan 8.360 nan 0.000 0.408 168 L N 5.861 127.029 121.223 -0.091 0.000 2.319 168 L HA 0.452 4.793 4.340 0.001 0.000 0.280 168 L C -1.017 175.760 176.870 -0.155 0.000 1.099 168 L CA 0.094 54.857 54.840 -0.129 0.000 0.828 168 L CB 0.510 42.471 42.059 -0.164 0.000 1.150 168 L HN 0.635 nan 8.230 nan 0.000 0.442 169 I N 7.063 127.557 120.570 -0.127 0.000 2.312 169 I HA 0.404 4.575 4.170 0.001 0.000 0.290 169 I C -0.262 175.769 176.117 -0.143 0.000 1.008 169 I CA -0.132 61.095 61.300 -0.122 0.000 1.226 169 I CB 1.192 39.153 38.000 -0.065 0.000 1.371 169 I HN 0.598 nan 8.210 nan 0.000 0.468 170 I N 5.565 126.019 120.570 -0.194 0.000 2.582 170 I HA 0.902 5.072 4.170 0.001 0.000 0.292 170 I C -0.405 175.681 176.117 -0.052 0.000 1.066 170 I CA 0.023 61.220 61.300 -0.171 0.000 1.053 170 I CB 1.893 39.703 38.000 -0.317 0.000 1.241 170 I HN 0.680 nan 8.210 nan 0.000 0.421 171 G N 4.732 113.538 108.800 0.009 0.000 2.451 171 G HA2 0.229 4.190 3.960 0.001 0.000 0.292 171 G HA3 0.229 4.190 3.960 0.001 0.000 0.292 171 G C -1.963 172.962 174.900 0.041 0.000 1.427 171 G CA -0.726 44.409 45.100 0.058 0.000 0.792 171 G HN 0.513 nan 8.290 nan 0.000 0.498 172 D N 0.250 120.676 120.400 0.043 0.000 2.363 172 D HA 0.336 4.977 4.640 0.001 0.000 0.240 172 D C 1.308 177.607 176.300 -0.001 0.000 1.236 172 D CA -0.138 53.879 54.000 0.029 0.000 0.927 172 D CB 0.549 41.369 40.800 0.034 0.000 1.150 172 D HN 0.650 nan 8.370 nan 0.000 0.458 173 R N 0.760 121.260 120.500 0.001 0.000 2.698 173 R HA -0.047 4.294 4.340 0.001 0.000 0.266 173 R C -0.206 176.061 176.300 -0.055 0.000 1.026 173 R CA -0.061 56.030 56.100 -0.015 0.000 1.102 173 R CB 0.171 30.472 30.300 0.001 0.000 0.978 173 R HN 0.247 nan 8.270 nan 0.000 0.436 174 Q N -0.175 119.577 119.800 -0.080 0.000 2.494 174 Q HA -0.154 4.187 4.340 0.001 0.000 0.272 174 Q C 0.370 176.185 176.000 -0.309 0.000 1.145 174 Q CA 1.816 57.525 55.803 -0.157 0.000 0.943 174 Q CB -1.897 26.765 28.738 -0.126 0.000 1.338 174 Q HN 0.999 nan 8.270 nan 0.000 0.492 175 T N -5.349 109.066 114.554 -0.231 0.000 3.040 175 T HA 0.434 4.785 4.350 0.001 0.000 0.250 175 T C 1.220 175.807 174.700 -0.189 0.000 1.058 175 T CA 0.843 62.780 62.100 -0.272 0.000 0.988 175 T CB 1.042 69.846 68.868 -0.107 0.000 0.993 175 T HN 0.780 nan 8.240 nan 0.000 0.519 176 G N 1.635 110.355 108.800 -0.133 0.000 2.148 176 G HA2 -0.202 3.759 3.960 0.001 0.000 0.157 176 G HA3 -0.202 3.759 3.960 0.001 0.000 0.157 176 G C 0.721 175.605 174.900 -0.026 0.000 1.012 176 G CA 0.111 45.180 45.100 -0.052 0.000 0.677 176 G HN 0.457 nan 8.290 nan 0.000 0.506 177 K N -0.088 120.295 120.400 -0.027 0.000 1.991 177 K HA -0.104 4.217 4.320 0.001 0.000 0.212 177 K C 2.553 179.154 176.600 0.002 0.000 1.049 177 K CA 2.037 58.316 56.287 -0.013 0.000 0.932 177 K CB -0.427 32.064 32.500 -0.015 0.000 0.717 177 K HN 0.315 nan 8.250 nan 0.000 0.441 178 T N 1.297 115.861 114.554 0.016 0.000 2.684 178 T HA -0.173 4.178 4.350 0.001 0.000 0.267 178 T C 2.054 176.749 174.700 -0.008 0.000 1.036 178 T CA 1.422 63.550 62.100 0.047 0.000 1.148 178 T CB -0.395 68.511 68.868 0.062 0.000 0.863 178 T HN 0.374 nan 8.240 nan 0.000 0.436 179 A N 1.042 123.834 122.820 -0.047 0.000 1.958 179 A HA -0.122 4.198 4.320 0.001 0.000 0.221 179 A C 2.587 180.120 177.584 -0.085 0.000 1.178 179 A CA 1.694 53.667 52.037 -0.106 0.000 0.642 179 A CB -1.147 17.780 19.000 -0.121 0.000 0.816 179 A HN 0.378 nan 8.150 nan 0.000 0.453 180 V N -0.374 119.515 119.914 -0.042 0.000 2.261 180 V HA -0.247 3.874 4.120 0.001 0.000 0.246 180 V C 3.078 179.160 176.094 -0.019 0.000 1.047 180 V CA 2.047 64.330 62.300 -0.028 0.000 1.015 180 V CB -1.344 30.470 31.823 -0.014 0.000 0.642 180 V HN 0.640 nan 8.190 nan 0.000 0.446 181 A N -0.256 122.565 122.820 0.002 0.000 1.883 181 A HA -0.225 4.096 4.320 0.001 0.000 0.217 181 A C 2.182 179.773 177.584 0.011 0.000 1.186 181 A CA 2.288 54.341 52.037 0.028 0.000 0.624 181 A CB -0.635 18.421 19.000 0.093 0.000 0.822 181 A HN 0.461 nan 8.150 nan 0.000 0.444 182 L N -0.002 121.205 121.223 -0.027 0.000 2.027 182 L HA -0.146 4.195 4.340 0.001 0.000 0.206 182 L C 1.701 178.535 176.870 -0.059 0.000 1.074 182 L CA 2.465 57.263 54.840 -0.070 0.000 0.745 182 L CB -0.631 41.364 42.059 -0.106 0.000 0.898 182 L HN 0.344 nan 8.230 nan 0.000 0.433 183 D N -1.003 119.351 120.400 -0.078 0.000 2.182 183 D HA -0.171 4.470 4.640 0.001 0.000 0.201 183 D C 1.978 178.270 176.300 -0.014 0.000 0.986 183 D CA 1.815 55.774 54.000 -0.067 0.000 0.847 183 D CB -0.096 40.652 40.800 -0.087 0.000 0.942 183 D HN 0.425 nan 8.370 nan 0.000 0.467 184 T N 1.191 115.744 114.554 -0.002 0.000 2.708 184 T HA -0.078 4.273 4.350 0.001 0.000 0.266 184 T C 2.278 177.007 174.700 0.047 0.000 1.037 184 T CA 0.568 62.681 62.100 0.021 0.000 1.146 184 T CB -0.118 68.754 68.868 0.007 0.000 0.865 184 T HN 0.164 nan 8.240 nan 0.000 0.435 185 I N 0.966 121.569 120.570 0.055 0.000 2.142 185 I HA -0.132 4.038 4.170 0.001 0.000 0.240 185 I C 2.272 178.503 176.117 0.190 0.000 1.078 185 I CA 1.237 62.615 61.300 0.129 0.000 1.343 185 I CB -0.511 37.554 38.000 0.108 0.000 1.046 185 I HN 0.175 nan 8.210 nan 0.000 0.405 186 L N 0.638 121.914 121.223 0.090 0.000 2.263 186 L HA -0.250 4.091 4.340 0.001 0.000 0.216 186 L C 2.092 179.025 176.870 0.105 0.000 1.111 186 L CA 1.288 56.170 54.840 0.070 0.000 0.773 186 L CB -0.834 41.173 42.059 -0.087 0.000 0.906 186 L HN 0.390 nan 8.230 nan 0.000 0.439 187 N N -0.621 118.133 118.700 0.090 0.000 2.376 187 N HA -0.124 4.616 4.740 0.001 0.000 0.177 187 N C 1.775 177.344 175.510 0.098 0.000 1.024 187 N CA 0.554 53.653 53.050 0.082 0.000 0.893 187 N CB 0.175 38.731 38.487 0.115 0.000 0.980 187 N HN 0.166 nan 8.380 nan 0.000 0.439 188 Q N 0.501 120.364 119.800 0.105 0.000 2.437 188 Q HA -0.051 4.290 4.340 0.001 0.000 0.210 188 Q C 1.457 177.361 176.000 -0.160 0.000 0.972 188 Q CA 0.452 56.288 55.803 0.054 0.000 0.903 188 Q CB -0.115 28.481 28.738 -0.236 0.000 0.967 188 Q HN 0.444 nan 8.270 nan 0.000 0.486 189 K N 1.117 121.473 120.400 -0.073 0.000 2.113 189 K HA -0.161 4.160 4.320 0.001 0.000 0.208 189 K C 1.861 178.357 176.600 -0.174 0.000 1.047 189 K CA 1.027 57.318 56.287 0.006 0.000 0.928 189 K CB 0.062 32.641 32.500 0.131 0.000 0.716 189 K HN 0.202 nan 8.250 nan 0.000 0.446 190 R N -0.869 119.395 120.500 -0.395 0.000 2.139 190 R HA -0.175 4.166 4.340 0.001 0.000 0.243 190 R C 1.874 177.684 176.300 -0.817 0.000 1.145 190 R CA 1.698 57.315 56.100 -0.805 0.000 0.976 190 R CB -0.089 29.263 30.300 -1.581 0.000 0.866 190 R HN 0.449 nan 8.270 nan 0.000 0.449 191 W N -0.812 120.400 121.300 -0.146 0.000 3.063 191 W HA 0.195 4.856 4.660 0.001 0.000 0.246 191 W C 1.395 177.805 176.519 -0.183 0.000 1.145 191 W CA -0.596 56.657 57.345 -0.153 0.000 1.510 191 W CB -0.550 28.807 29.460 -0.172 0.000 0.904 191 W HN 0.023 nan 8.180 nan 0.000 0.679 192 N N 1.421 120.084 118.700 -0.062 0.000 2.348 192 N HA -0.143 4.598 4.740 0.001 0.000 0.185 192 N C 1.021 176.505 175.510 -0.043 0.000 1.019 192 N CA 1.038 53.975 53.050 -0.188 0.000 0.880 192 N CB -0.537 37.639 38.487 -0.517 0.000 0.965 192 N HN 0.130 nan 8.380 nan 0.000 0.437 193 N N 0.032 118.720 118.700 -0.019 0.000 2.463 193 N HA 0.021 4.762 4.740 0.001 0.000 0.181 193 N C 0.918 176.433 175.510 0.009 0.000 1.078 193 N CA 0.183 53.239 53.050 0.010 0.000 0.902 193 N CB 0.084 38.566 38.487 -0.008 0.000 0.970 193 N HN 0.155 nan 8.380 nan 0.000 0.451 194 G N -0.405 108.401 108.800 0.009 0.000 2.557 194 G HA2 0.236 4.196 3.960 0.001 0.000 0.292 194 G HA3 0.236 4.196 3.960 0.001 0.000 0.292 194 G C 0.970 175.895 174.900 0.042 0.000 1.237 194 G CA 0.030 45.145 45.100 0.024 0.000 0.978 194 G HN 0.194 nan 8.290 nan 0.000 0.498 195 S N -1.100 114.626 115.700 0.043 0.000 2.406 195 S HA -0.067 4.404 4.470 0.001 0.000 0.228 195 S C 0.828 175.466 174.600 0.062 0.000 1.020 195 S CA 0.850 59.081 58.200 0.051 0.000 0.965 195 S CB -0.090 63.135 63.200 0.042 0.000 0.798 195 S HN 0.509 nan 8.310 nan 0.000 0.488 196 D N 1.543 121.980 120.400 0.061 0.000 2.358 196 D HA 0.158 4.799 4.640 0.001 0.000 0.258 196 D C 0.697 177.040 176.300 0.071 0.000 1.223 196 D CA 0.154 54.192 54.000 0.064 0.000 0.886 196 D CB 1.300 42.138 40.800 0.062 0.000 1.120 196 D HN 0.297 nan 8.370 nan 0.000 0.482 197 E N 1.463 121.715 120.200 0.086 0.000 2.158 197 E HA -0.133 4.218 4.350 0.001 0.000 0.191 197 E C 1.911 178.589 176.600 0.129 0.000 0.982 197 E CA 0.752 57.225 56.400 0.121 0.000 0.823 197 E CB 0.028 29.818 29.700 0.149 0.000 0.766 197 E HN 0.453 nan 8.360 nan 0.000 0.468 198 S N -0.008 115.756 115.700 0.107 0.000 2.419 198 S HA -0.172 4.299 4.470 0.001 0.000 0.233 198 S C 1.618 176.242 174.600 0.040 0.000 1.016 198 S CA 1.173 59.455 58.200 0.136 0.000 0.974 198 S CB -0.134 63.117 63.200 0.086 0.000 0.786 198 S HN 0.186 nan 8.310 nan 0.000 0.492 199 K N 0.553 120.931 120.400 -0.037 0.000 2.284 199 K HA 0.204 4.525 4.320 0.001 0.000 0.198 199 K C 0.420 176.897 176.600 -0.205 0.000 1.048 199 K CA 0.141 56.312 56.287 -0.192 0.000 0.987 199 K CB 0.083 32.502 32.500 -0.134 0.000 0.800 199 K HN 0.280 nan 8.250 nan 0.000 0.486 200 K N 1.570 121.919 120.400 -0.086 0.000 2.489 200 K HA 0.057 4.378 4.320 0.001 0.000 0.278 200 K C -0.698 175.746 176.600 -0.260 0.000 1.000 200 K CA 0.041 56.212 56.287 -0.192 0.000 1.012 200 K CB 0.430 32.794 32.500 -0.228 0.000 0.903 200 K HN -0.084 nan 8.250 nan 0.000 0.485 201 L N 4.692 125.672 121.223 -0.405 0.000 2.415 201 L HA 0.292 4.633 4.340 0.001 0.000 0.268 201 L C -1.568 175.054 176.870 -0.413 0.000 0.984 201 L CA -0.424 54.227 54.840 -0.314 0.000 0.853 201 L CB 0.549 42.458 42.059 -0.250 0.000 1.215 201 L HN 0.449 nan 8.230 nan 0.000 0.419 202 Y N 3.115 123.265 120.300 -0.249 0.000 2.346 202 Y HA 0.393 4.944 4.550 0.001 0.000 0.330 202 Y C 0.453 176.201 175.900 -0.253 0.000 1.178 202 Y CA 0.021 57.916 58.100 -0.342 0.000 1.331 202 Y CB 0.882 38.810 38.460 -0.886 0.000 1.253 202 Y HN 0.495 nan 8.280 nan 0.000 0.529 203 C N 3.181 122.524 119.300 0.072 0.000 2.379 203 C HA 0.677 5.138 4.460 0.001 0.000 0.323 203 C C -0.468 174.558 174.990 0.059 0.000 1.262 203 C CA -1.150 57.910 59.018 0.070 0.000 1.581 203 C CB 0.460 28.299 27.740 0.166 0.000 2.221 203 C HN 0.542 nan 8.230 nan 0.000 0.497 204 V N 3.651 123.576 119.914 0.018 0.000 2.378 204 V HA 0.301 4.422 4.120 0.001 0.000 0.288 204 V C -0.888 175.211 176.094 0.009 0.000 1.016 204 V CA -0.571 61.738 62.300 0.015 0.000 0.840 204 V CB 1.061 32.870 31.823 -0.025 0.000 0.994 204 V HN 0.810 nan 8.190 nan 0.000 0.431 205 Y N 5.244 125.502 120.300 -0.070 0.000 2.369 205 Y HA 0.622 5.172 4.550 0.001 0.000 0.337 205 Y C -0.245 175.610 175.900 -0.075 0.000 0.961 205 Y CA -0.687 57.364 58.100 -0.082 0.000 1.186 205 Y CB 1.469 39.900 38.460 -0.048 0.000 1.139 205 Y HN 0.452 nan 8.280 nan 0.000 0.494 206 V N 6.289 125.878 119.914 -0.542 0.000 2.385 206 V HA 0.589 4.710 4.120 0.001 0.000 0.269 206 V C 0.239 176.016 176.094 -0.529 0.000 1.043 206 V CA -0.567 61.501 62.300 -0.386 0.000 0.906 206 V CB 0.503 32.182 31.823 -0.240 0.000 0.995 206 V HN 0.911 nan 8.190 nan 0.000 0.467 207 A N 5.404 128.056 122.820 -0.280 0.000 2.252 207 A HA 0.755 5.076 4.320 0.001 0.000 0.309 207 A C -0.480 177.062 177.584 -0.070 0.000 1.285 207 A CA -0.418 51.529 52.037 -0.151 0.000 0.900 207 A CB 0.769 19.808 19.000 0.065 0.000 1.157 207 A HN 0.734 nan 8.150 nan 0.000 0.536 208 V N 2.535 122.412 119.914 -0.062 0.000 2.409 208 V HA 0.632 4.753 4.120 0.001 0.000 0.290 208 V C 1.113 177.215 176.094 0.013 0.000 1.017 208 V CA 0.371 62.660 62.300 -0.018 0.000 0.841 208 V CB 0.606 32.410 31.823 -0.031 0.000 1.003 208 V HN 1.844 nan 8.190 nan 0.000 0.426 209 G N 3.683 112.504 108.800 0.034 0.000 2.205 209 G HA2 -0.246 3.715 3.960 0.001 0.000 0.261 209 G HA3 -0.246 3.715 3.960 0.001 0.000 0.261 209 G C 0.301 175.227 174.900 0.043 0.000 0.980 209 G CA 0.408 45.535 45.100 0.044 0.000 0.632 209 G HN 0.659 nan 8.290 nan 0.000 0.533 210 Q N 0.811 120.637 119.800 0.043 0.000 2.474 210 Q HA 0.361 4.701 4.340 0.001 0.000 0.256 210 Q C 0.793 176.823 176.000 0.051 0.000 1.048 210 Q CA 0.705 56.540 55.803 0.054 0.000 0.922 210 Q CB 0.452 29.236 28.738 0.078 0.000 1.288 210 Q HN 0.713 nan 8.270 nan 0.000 0.484 211 K N 0.813 121.242 120.400 0.048 0.000 2.098 211 K HA 0.261 4.582 4.320 0.001 0.000 0.261 211 K C 0.374 177.000 176.600 0.043 0.000 0.987 211 K CA -0.647 55.665 56.287 0.042 0.000 0.916 211 K CB 1.202 33.723 32.500 0.036 0.000 1.039 211 K HN 0.413 nan 8.250 nan 0.000 0.455 212 R N 0.515 121.037 120.500 0.037 0.000 2.103 212 R HA -0.189 4.152 4.340 0.001 0.000 0.242 212 R C 2.388 178.706 176.300 0.031 0.000 1.142 212 R CA 2.363 58.484 56.100 0.035 0.000 0.960 212 R CB -0.454 29.864 30.300 0.029 0.000 0.858 212 R HN 0.938 nan 8.270 nan 0.000 0.439 213 S N -0.554 115.163 115.700 0.027 0.000 2.419 213 S HA -0.115 4.355 4.470 0.001 0.000 0.233 213 S C 1.790 176.405 174.600 0.024 0.000 1.016 213 S CA 1.654 59.868 58.200 0.023 0.000 0.974 213 S CB -0.209 63.004 63.200 0.020 0.000 0.786 213 S HN 0.223 nan 8.310 nan 0.000 0.492 214 T N 2.053 116.627 114.554 0.033 0.000 2.851 214 T HA 0.077 4.428 4.350 0.001 0.000 0.262 214 T C 1.912 176.633 174.700 0.037 0.000 1.043 214 T CA 1.216 63.338 62.100 0.036 0.000 1.140 214 T CB -0.409 68.488 68.868 0.048 0.000 0.872 214 T HN 0.343 nan 8.240 nan 0.000 0.446 215 V N 2.048 121.994 119.914 0.053 0.000 2.407 215 V HA -0.129 3.992 4.120 0.001 0.000 0.248 215 V C 2.899 179.006 176.094 0.023 0.000 1.055 215 V CA 1.538 63.875 62.300 0.062 0.000 1.049 215 V CB -1.418 30.456 31.823 0.084 0.000 0.662 215 V HN 0.492 nan 8.190 nan 0.000 0.455 216 A N 0.078 122.909 122.820 0.019 0.000 1.841 216 A HA -0.329 3.992 4.320 0.001 0.000 0.216 216 A C 2.244 179.824 177.584 -0.008 0.000 1.199 216 A CA 2.315 54.355 52.037 0.005 0.000 0.621 216 A CB -0.788 18.216 19.000 0.007 0.000 0.835 216 A HN 0.504 nan 8.150 nan 0.000 0.445 217 Q N -0.472 119.326 119.800 -0.004 0.000 2.173 217 Q HA -0.192 4.149 4.340 0.001 0.000 0.208 217 Q C 1.847 177.831 176.000 -0.026 0.000 0.989 217 Q CA 2.030 57.827 55.803 -0.010 0.000 0.872 217 Q CB -0.537 28.203 28.738 0.004 0.000 0.909 217 Q HN 0.667 nan 8.270 nan 0.000 0.420 218 L N -0.749 120.450 121.223 -0.041 0.000 2.072 218 L HA -0.091 4.249 4.340 0.001 0.000 0.205 218 L C 2.201 179.011 176.870 -0.100 0.000 1.079 218 L CA 1.413 56.197 54.840 -0.093 0.000 0.752 218 L CB -0.387 41.563 42.059 -0.182 0.000 0.906 218 L HN 0.321 nan 8.230 nan 0.000 0.436 219 V N -2.391 117.479 119.914 -0.073 0.000 2.490 219 V HA -0.268 3.853 4.120 0.001 0.000 0.250 219 V C 2.264 178.325 176.094 -0.055 0.000 1.061 219 V CA 1.935 64.197 62.300 -0.064 0.000 1.064 219 V CB -0.912 30.888 31.823 -0.038 0.000 0.670 219 V HN 0.665 nan 8.190 nan 0.000 0.461 220 Q N 0.109 119.882 119.800 -0.045 0.000 2.124 220 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 220 Q C 2.311 178.284 176.000 -0.045 0.000 0.977 220 Q CA 2.303 58.081 55.803 -0.041 0.000 0.850 220 Q CB -0.235 28.482 28.738 -0.035 0.000 0.901 220 Q HN 0.732 nan 8.270 nan 0.000 0.429 221 T N 1.203 115.728 114.554 -0.049 0.000 2.821 221 T HA -0.038 4.312 4.350 0.001 0.000 0.267 221 T C 1.828 176.531 174.700 0.005 0.000 1.046 221 T CA 0.589 62.663 62.100 -0.043 0.000 1.139 221 T CB -0.035 68.793 68.868 -0.066 0.000 0.871 221 T HN 0.224 nan 8.240 nan 0.000 0.454 222 L N 0.402 121.598 121.223 -0.045 0.000 2.093 222 L HA -0.061 4.280 4.340 0.001 0.000 0.208 222 L C 2.600 179.440 176.870 -0.051 0.000 1.085 222 L CA 1.377 56.177 54.840 -0.066 0.000 0.755 222 L CB -0.364 41.625 42.059 -0.115 0.000 0.904 222 L HN 0.289 nan 8.230 nan 0.000 0.435 223 E N -0.418 119.753 120.200 -0.050 0.000 2.107 223 E HA -0.231 4.120 4.350 0.001 0.000 0.191 223 E C 2.210 178.785 176.600 -0.042 0.000 0.982 223 E CA 0.766 57.134 56.400 -0.053 0.000 0.809 223 E CB 0.072 29.742 29.700 -0.051 0.000 0.756 223 E HN 0.409 nan 8.360 nan 0.000 0.459 224 Q N -0.436 119.345 119.800 -0.031 0.000 2.170 224 Q HA -0.138 4.203 4.340 0.001 0.000 0.203 224 Q C 1.432 177.342 176.000 -0.150 0.000 0.976 224 Q CA 1.088 56.841 55.803 -0.084 0.000 0.858 224 Q CB 0.082 28.760 28.738 -0.101 0.000 0.907 224 Q HN 0.451 nan 8.270 nan 0.000 0.433 225 H N -0.626 118.394 119.070 -0.084 0.000 2.539 225 H HA -0.002 4.554 4.556 0.001 0.000 0.269 225 H C -0.067 175.226 175.328 -0.057 0.000 0.980 225 H CA 0.369 56.382 56.048 -0.057 0.000 1.152 225 H CB 0.488 30.231 29.762 -0.031 0.000 1.407 225 H HN 0.211 nan 8.280 nan 0.000 0.564 226 D N 0.536 120.936 120.400 0.000 0.000 2.705 226 D HA -0.173 4.468 4.640 0.001 0.000 0.240 226 D C 0.740 176.966 176.300 -0.123 0.000 1.137 226 D CA 0.648 54.619 54.000 -0.048 0.000 0.677 226 D CB -1.091 39.695 40.800 -0.023 0.000 1.049 226 D HN 0.525 nan 8.370 nan 0.000 0.427 227 A N 0.207 122.886 122.820 -0.235 0.000 2.259 227 A HA 0.158 4.479 4.320 0.001 0.000 0.213 227 A C 1.881 178.982 177.584 -0.805 0.000 1.209 227 A CA 0.879 52.523 52.037 -0.656 0.000 0.910 227 A CB -0.020 18.797 19.000 -0.305 0.000 0.946 227 A HN 0.302 nan 8.150 nan 0.000 0.497 228 M N 1.760 121.134 119.600 -0.377 0.000 2.149 228 M HA -0.179 4.302 4.480 0.001 0.000 0.261 228 M C 1.994 178.163 176.300 -0.219 0.000 1.064 228 M CA 2.293 57.447 55.300 -0.244 0.000 1.102 228 M CB -0.583 31.938 32.600 -0.131 0.000 1.369 228 M HN 0.491 nan 8.290 nan 0.000 0.408 229 K N -0.377 119.894 120.400 -0.216 0.000 2.160 229 K HA -0.215 4.105 4.320 0.001 0.000 0.206 229 K C 1.099 177.724 176.600 0.042 0.000 1.047 229 K CA 2.061 58.306 56.287 -0.069 0.000 0.930 229 K CB -1.174 31.317 32.500 -0.015 0.000 0.720 229 K HN 0.626 nan 8.250 nan 0.000 0.450 230 Y N 0.128 120.475 120.300 0.079 0.000 2.571 230 Y HA 0.502 5.053 4.550 0.001 0.000 0.275 230 Y C -0.286 175.679 175.900 0.108 0.000 1.179 230 Y CA -1.199 56.977 58.100 0.126 0.000 1.242 230 Y CB 0.028 38.498 38.460 0.016 0.000 1.126 230 Y HN -0.124 nan 8.280 nan 0.000 0.524 231 S N 0.724 116.474 115.700 0.083 0.000 2.648 231 S HA 0.767 5.238 4.470 0.001 0.000 0.305 231 S C -0.827 173.818 174.600 0.077 0.000 1.094 231 S CA -0.690 57.557 58.200 0.078 0.000 0.983 231 S CB 1.782 64.965 63.200 -0.028 0.000 1.101 231 S HN 0.224 nan 8.310 nan 0.000 0.514 232 I N 2.082 122.702 120.570 0.082 0.000 2.534 232 I HA 0.357 4.528 4.170 0.001 0.000 0.288 232 I C -1.243 174.918 176.117 0.073 0.000 1.077 232 I CA -0.552 60.791 61.300 0.072 0.000 1.051 232 I CB 1.594 39.649 38.000 0.091 0.000 1.234 232 I HN 0.371 nan 8.210 nan 0.000 0.425 233 I N 6.941 127.550 120.570 0.065 0.000 2.315 233 I HA 0.323 4.494 4.170 0.001 0.000 0.291 233 I C -0.018 176.132 176.117 0.054 0.000 1.006 233 I CA -0.808 60.547 61.300 0.092 0.000 1.265 233 I CB 1.293 39.352 38.000 0.100 0.000 1.387 233 I HN 0.134 nan 8.210 nan 0.000 0.475 234 V N 6.178 126.113 119.914 0.035 0.000 2.313 234 V HA 0.652 4.773 4.120 0.001 0.000 0.278 234 V C 0.363 176.458 176.094 0.001 0.000 1.017 234 V CA -0.543 61.760 62.300 0.006 0.000 0.823 234 V CB 1.274 33.088 31.823 -0.015 0.000 1.010 234 V HN 0.869 nan 8.190 nan 0.000 0.443 235 A N 4.433 127.262 122.820 0.016 0.000 2.311 235 A HA 0.866 5.187 4.320 0.001 0.000 0.306 235 A C 0.032 177.629 177.584 0.022 0.000 1.189 235 A CA -0.350 51.702 52.037 0.024 0.000 0.791 235 A CB 1.251 20.281 19.000 0.050 0.000 1.172 235 A HN 1.157 nan 8.150 nan 0.000 0.481 236 A N 3.192 126.024 122.820 0.020 0.000 2.508 236 A HA 0.632 4.953 4.320 0.001 0.000 0.336 236 A C 0.556 178.166 177.584 0.045 0.000 1.360 236 A CA 0.051 52.110 52.037 0.037 0.000 0.841 236 A CB -0.378 18.650 19.000 0.046 0.000 1.136 236 A HN 1.226 nan 8.150 nan 0.000 0.489 237 T N -1.174 113.407 114.554 0.046 0.000 2.788 237 T HA 0.525 4.876 4.350 0.001 0.000 0.280 237 T C 1.584 176.314 174.700 0.050 0.000 0.984 237 T CA 0.038 62.166 62.100 0.046 0.000 0.972 237 T CB 1.079 69.973 68.868 0.044 0.000 1.039 237 T HN 1.135 nan 8.240 nan 0.000 0.530 238 A N 0.961 123.808 122.820 0.046 0.000 2.009 238 A HA -0.144 4.177 4.320 0.001 0.000 0.222 238 A C 2.467 180.077 177.584 0.044 0.000 1.175 238 A CA 2.466 54.530 52.037 0.045 0.000 0.651 238 A CB -1.482 17.542 19.000 0.040 0.000 0.815 238 A HN 1.157 nan 8.150 nan 0.000 0.459 239 S N -0.849 114.875 115.700 0.041 0.000 2.503 239 S HA 0.123 4.593 4.470 0.001 0.000 0.217 239 S C 0.515 175.141 174.600 0.044 0.000 0.999 239 S CA -0.183 58.039 58.200 0.037 0.000 0.914 239 S CB -0.079 63.139 63.200 0.031 0.000 0.782 239 S HN 0.641 nan 8.310 nan 0.000 0.520 240 E N 1.713 121.946 120.200 0.054 0.000 2.390 240 E HA 0.486 4.836 4.350 0.001 0.000 0.261 240 E C 0.063 176.713 176.600 0.082 0.000 1.076 240 E CA -0.236 56.205 56.400 0.068 0.000 0.905 240 E CB 0.629 30.374 29.700 0.075 0.000 0.984 240 E HN 0.456 nan 8.360 nan 0.000 0.427 241 A N 1.761 124.639 122.820 0.097 0.000 2.565 241 A HA 0.127 4.448 4.320 0.001 0.000 0.237 241 A C 1.298 178.961 177.584 0.132 0.000 1.053 241 A CA 0.712 52.807 52.037 0.097 0.000 0.755 241 A CB 0.231 19.294 19.000 0.104 0.000 0.980 241 A HN 0.798 nan 8.150 nan 0.000 0.506 242 A N 4.124 127.006 122.820 0.103 0.000 1.917 242 A HA -0.089 4.232 4.320 0.001 0.000 0.219 242 A C -0.192 177.522 177.584 0.216 0.000 1.182 242 A CA 2.144 54.263 52.037 0.136 0.000 0.633 242 A CB -1.566 17.494 19.000 0.099 0.000 0.819 242 A HN 0.644 nan 8.150 nan 0.000 0.448 243 P HA -0.079 nan 4.420 nan 0.000 0.222 243 P C 1.302 178.946 177.300 0.573 0.000 1.147 243 P CA 0.670 63.963 63.100 0.322 0.000 0.790 243 P CB -0.087 31.633 31.700 0.033 0.000 0.780 244 L N -0.896 120.608 121.223 0.468 0.000 2.027 244 L HA -0.199 4.141 4.340 0.001 0.000 0.206 244 L C 2.595 179.597 176.870 0.221 0.000 1.074 244 L CA 1.565 56.599 54.840 0.324 0.000 0.745 244 L CB -1.068 41.124 42.059 0.221 0.000 0.898 244 L HN 0.004 nan 8.230 nan 0.000 0.433 245 Q N -0.824 119.100 119.800 0.206 0.000 2.084 245 Q HA -0.278 4.063 4.340 0.001 0.000 0.202 245 Q C 2.159 178.264 176.000 0.175 0.000 0.978 245 Q CA 2.092 57.988 55.803 0.154 0.000 0.844 245 Q CB -0.520 28.303 28.738 0.142 0.000 0.898 245 Q HN 0.503 nan 8.270 nan 0.000 0.426 246 Y N 1.273 121.665 120.300 0.154 0.000 2.151 246 Y HA -0.263 4.288 4.550 0.001 0.000 0.284 246 Y C 1.954 177.975 175.900 0.202 0.000 1.166 246 Y CA 1.434 59.640 58.100 0.178 0.000 1.163 246 Y CB -0.141 38.458 38.460 0.231 0.000 0.974 246 Y HN 0.106 nan 8.280 nan 0.000 0.511 247 L N 0.303 121.639 121.223 0.188 0.000 2.209 247 L HA 0.181 4.521 4.340 0.001 0.000 0.207 247 L C 2.484 179.379 176.870 0.041 0.000 1.094 247 L CA 1.504 56.432 54.840 0.146 0.000 0.790 247 L CB -1.099 41.113 42.059 0.255 0.000 0.932 247 L HN 0.276 nan 8.230 nan 0.000 0.447 248 A N 0.845 123.662 122.820 -0.005 0.000 1.884 248 A HA -0.197 4.123 4.320 0.001 0.000 0.219 248 A C -0.049 177.487 177.584 -0.079 0.000 1.197 248 A CA 2.428 54.443 52.037 -0.036 0.000 0.637 248 A CB -2.156 16.828 19.000 -0.027 0.000 0.827 248 A HN 0.429 nan 8.150 nan 0.000 0.450 249 P HA -0.072 nan 4.420 nan 0.000 0.220 249 P C 0.867 178.032 177.300 -0.227 0.000 1.148 249 P CA 0.904 63.887 63.100 -0.195 0.000 0.803 249 P CB -0.130 31.255 31.700 -0.525 0.000 0.782 250 F N -0.119 119.774 119.950 -0.096 0.000 2.149 250 F HA -0.110 4.418 4.527 0.001 0.000 0.294 250 F C 2.483 178.263 175.800 -0.033 0.000 1.095 250 F CA 1.768 59.709 58.000 -0.097 0.000 1.276 250 F CB -2.155 36.733 39.000 -0.186 0.000 1.023 250 F HN -0.070 nan 8.300 nan 0.000 0.480 251 T N -1.396 113.238 114.554 0.133 0.000 2.788 251 T HA -0.146 4.205 4.350 0.001 0.000 0.268 251 T C 2.157 176.893 174.700 0.060 0.000 1.044 251 T CA 1.067 63.209 62.100 0.070 0.000 1.139 251 T CB -0.933 67.948 68.868 0.022 0.000 0.867 251 T HN 0.206 nan 8.240 nan 0.000 0.454 252 A N 2.009 124.859 122.820 0.050 0.000 1.898 252 A HA 0.346 4.667 4.320 0.001 0.000 0.216 252 A C 2.859 180.485 177.584 0.070 0.000 1.181 252 A CA 1.817 53.876 52.037 0.036 0.000 0.620 252 A CB -1.434 17.559 19.000 -0.013 0.000 0.819 252 A HN 0.732 nan 8.150 nan 0.000 0.442 253 A N -0.253 122.646 122.820 0.132 0.000 1.892 253 A HA -0.149 4.172 4.320 0.001 0.000 0.218 253 A C 2.463 180.124 177.584 0.129 0.000 1.188 253 A CA 2.332 54.466 52.037 0.161 0.000 0.631 253 A CB -1.025 18.095 19.000 0.199 0.000 0.822 253 A HN 0.474 nan 8.150 nan 0.000 0.447 254 S N -0.288 115.480 115.700 0.113 0.000 2.368 254 S HA -0.120 4.351 4.470 0.001 0.000 0.225 254 S C 1.805 176.469 174.600 0.107 0.000 1.030 254 S CA 1.482 59.740 58.200 0.096 0.000 0.999 254 S CB -0.515 62.729 63.200 0.073 0.000 0.844 254 S HN 0.522 nan 8.310 nan 0.000 0.459 255 I N 1.484 122.111 120.570 0.095 0.000 2.208 255 I HA -0.169 4.002 4.170 0.001 0.000 0.245 255 I C 2.611 178.862 176.117 0.223 0.000 1.097 255 I CA 1.238 62.600 61.300 0.104 0.000 1.363 255 I CB -0.649 37.397 38.000 0.077 0.000 1.051 255 I HN 0.382 nan 8.210 nan 0.000 0.413 256 G N -0.204 108.734 108.800 0.230 0.000 2.422 256 G HA2 -0.190 3.771 3.960 0.001 0.000 0.218 256 G HA3 -0.190 3.771 3.960 0.001 0.000 0.218 256 G C 1.511 176.614 174.900 0.338 0.000 1.140 256 G CA 0.340 45.636 45.100 0.326 0.000 0.775 256 G HN 0.385 nan 8.290 nan 0.000 0.545 257 E N -0.730 119.593 120.200 0.205 0.000 2.153 257 E HA -0.140 4.211 4.350 0.001 0.000 0.194 257 E C 1.903 178.558 176.600 0.093 0.000 0.988 257 E CA 0.458 56.938 56.400 0.133 0.000 0.811 257 E CB -0.197 29.555 29.700 0.087 0.000 0.746 257 E HN 0.654 nan 8.360 nan 0.000 0.466 258 W N 0.464 121.706 121.300 -0.097 0.000 2.325 258 W HA -0.254 4.407 4.660 0.001 0.000 0.299 258 W C 1.370 177.701 176.519 -0.314 0.000 1.215 258 W CA 1.587 58.774 57.345 -0.263 0.000 1.244 258 W CB -0.241 28.955 29.460 -0.440 0.000 1.140 258 W HN 0.011 nan 8.180 nan 0.000 0.523 259 F N 0.048 120.092 119.950 0.158 0.000 2.084 259 F HA -0.125 4.403 4.527 0.001 0.000 0.296 259 F C 2.777 178.463 175.800 -0.189 0.000 1.111 259 F CA 2.175 60.175 58.000 -0.000 0.000 1.224 259 F CB -1.463 37.613 39.000 0.127 0.000 0.991 259 F HN -0.242 nan 8.300 nan 0.000 0.471 260 R N 0.671 121.211 120.500 0.067 0.000 2.096 260 R HA -0.205 4.136 4.340 0.001 0.000 0.240 260 R C 1.400 177.612 176.300 -0.148 0.000 1.139 260 R CA 2.234 58.306 56.100 -0.048 0.000 0.952 260 R CB -0.586 29.721 30.300 0.013 0.000 0.854 260 R HN 0.172 nan 8.270 nan 0.000 0.436 261 D N 0.049 120.330 120.400 -0.199 0.000 2.371 261 D HA -0.040 4.600 4.640 0.001 0.000 0.221 261 D C 0.093 176.181 176.300 -0.353 0.000 0.986 261 D CA 0.708 54.562 54.000 -0.244 0.000 0.899 261 D CB 0.026 40.682 40.800 -0.240 0.000 0.902 261 D HN 0.255 nan 8.370 nan 0.000 0.530 262 N N -0.565 117.858 118.700 -0.462 0.000 2.433 262 N HA 0.178 4.919 4.740 0.001 0.000 0.270 262 N C 0.653 175.972 175.510 -0.317 0.000 1.354 262 N CA 0.091 52.842 53.050 -0.500 0.000 0.889 262 N CB 1.348 39.263 38.487 -0.954 0.000 1.285 262 N HN 0.013 nan 8.380 nan 0.000 0.503 263 G N 1.163 109.819 108.800 -0.239 0.000 2.225 263 G HA2 -0.329 3.632 3.960 0.001 0.000 0.267 263 G HA3 -0.329 3.632 3.960 0.001 0.000 0.267 263 G C 0.145 174.928 174.900 -0.195 0.000 1.024 263 G CA 0.815 45.799 45.100 -0.195 0.000 0.784 263 G HN 0.340 nan 8.290 nan 0.000 0.507 264 K N -0.948 119.341 120.400 -0.185 0.000 2.312 264 K HA 0.750 5.070 4.320 0.001 0.000 0.236 264 K C -0.273 176.184 176.600 -0.239 0.000 1.079 264 K CA -1.005 55.260 56.287 -0.037 0.000 0.900 264 K CB 1.148 33.842 32.500 0.322 0.000 1.297 264 K HN 0.271 nan 8.250 nan 0.000 0.498 265 H N -0.200 118.999 119.070 0.215 0.000 2.658 265 H HA 0.475 5.032 4.556 0.001 0.000 0.337 265 H C -1.194 174.171 175.328 0.062 0.000 1.009 265 H CA -0.751 55.351 56.048 0.091 0.000 1.231 265 H CB 1.837 31.585 29.762 -0.023 0.000 1.508 265 H HN 0.659 nan 8.280 nan 0.000 0.517 266 A N 3.357 126.257 122.820 0.134 0.000 2.340 266 A HA 0.519 4.840 4.320 0.001 0.000 0.331 266 A C -0.772 176.814 177.584 0.004 0.000 1.140 266 A CA -0.723 51.313 52.037 -0.001 0.000 0.801 266 A CB 1.257 20.279 19.000 0.037 0.000 1.234 266 A HN 0.518 nan 8.150 nan 0.000 0.469 267 L N 2.697 123.895 121.223 -0.041 0.000 2.296 267 L HA 0.759 5.100 4.340 0.001 0.000 0.286 267 L C -0.852 175.969 176.870 -0.080 0.000 1.023 267 L CA -0.312 54.498 54.840 -0.050 0.000 0.812 267 L CB 1.046 43.075 42.059 -0.051 0.000 1.223 267 L HN 0.647 nan 8.230 nan 0.000 0.421 268 I N 5.625 126.110 120.570 -0.142 0.000 2.389 268 I HA 0.495 4.666 4.170 0.001 0.000 0.288 268 I C -1.149 174.722 176.117 -0.409 0.000 0.999 268 I CA -0.756 60.359 61.300 -0.307 0.000 1.129 268 I CB 1.670 39.402 38.000 -0.446 0.000 1.288 268 I HN 0.450 nan 8.210 nan 0.000 0.444 269 V N 8.326 128.029 119.914 -0.352 0.000 2.350 269 V HA 0.241 4.362 4.120 0.001 0.000 0.276 269 V C -0.933 174.879 176.094 -0.470 0.000 1.028 269 V CA -0.344 61.785 62.300 -0.284 0.000 0.860 269 V CB 0.878 32.682 31.823 -0.032 0.000 0.990 269 V HN 0.491 nan 8.190 nan 0.000 0.453 270 Y N 2.679 122.846 120.300 -0.223 0.000 2.700 270 Y HA 0.414 4.965 4.550 0.001 0.000 0.333 270 Y C 0.343 176.075 175.900 -0.280 0.000 1.036 270 Y CA -0.828 57.106 58.100 -0.278 0.000 1.287 270 Y CB 0.634 38.933 38.460 -0.269 0.000 1.132 270 Y HN 0.536 nan 8.280 nan 0.000 0.510 271 D N 3.606 123.854 120.400 -0.253 0.000 2.462 271 D HA 0.212 4.853 4.640 0.001 0.000 0.249 271 D C -1.331 174.878 176.300 -0.151 0.000 1.117 271 D CA -0.400 53.476 54.000 -0.206 0.000 0.900 271 D CB 0.341 40.971 40.800 -0.283 0.000 1.039 271 D HN 0.656 nan 8.370 nan 0.000 0.516 272 D N 0.796 121.146 120.400 -0.083 0.000 2.661 272 D HA 0.207 4.848 4.640 0.001 0.000 0.228 272 D C 1.002 177.248 176.300 -0.090 0.000 1.183 272 D CA -0.736 53.217 54.000 -0.079 0.000 0.844 272 D CB 1.150 41.920 40.800 -0.049 0.000 1.555 272 D HN 0.063 nan 8.370 nan 0.000 0.453 273 L N 0.438 121.565 121.223 -0.161 0.000 2.376 273 L HA -0.058 4.283 4.340 0.001 0.000 0.219 273 L C 1.692 178.518 176.870 -0.073 0.000 1.133 273 L CA 0.610 55.301 54.840 -0.249 0.000 0.816 273 L CB -0.390 41.280 42.059 -0.650 0.000 0.933 273 L HN 0.450 nan 8.230 nan 0.000 0.449 274 S N 0.247 115.924 115.700 -0.038 0.000 2.343 274 S HA -0.166 4.304 4.470 0.001 0.000 0.219 274 S C 1.926 176.582 174.600 0.093 0.000 1.033 274 S CA 1.256 59.477 58.200 0.037 0.000 1.014 274 S CB -0.044 63.173 63.200 0.029 0.000 0.915 274 S HN 0.377 nan 8.310 nan 0.000 0.435 275 K N 1.070 121.509 120.400 0.065 0.000 2.103 275 K HA -0.163 4.158 4.320 0.001 0.000 0.207 275 K C 2.460 179.129 176.600 0.115 0.000 1.048 275 K CA 1.134 57.472 56.287 0.085 0.000 0.930 275 K CB -0.179 32.354 32.500 0.054 0.000 0.716 275 K HN 0.399 nan 8.250 nan 0.000 0.444 276 Q N 0.789 120.647 119.800 0.097 0.000 2.020 276 Q HA -0.187 4.154 4.340 0.001 0.000 0.202 276 Q C 2.133 178.274 176.000 0.235 0.000 0.982 276 Q CA 1.668 57.548 55.803 0.129 0.000 0.838 276 Q CB -0.177 28.589 28.738 0.046 0.000 0.899 276 Q HN 0.321 nan 8.270 nan 0.000 0.423 277 A N 0.210 123.180 122.820 0.250 0.000 1.948 277 A HA -0.184 4.136 4.320 0.001 0.000 0.220 277 A C 2.233 180.076 177.584 0.433 0.000 1.177 277 A CA 1.796 54.001 52.037 0.278 0.000 0.636 277 A CB -0.899 18.156 19.000 0.092 0.000 0.815 277 A HN 0.344 nan 8.150 nan 0.000 0.449 278 V N -0.510 119.621 119.914 0.362 0.000 2.407 278 V HA -0.223 3.898 4.120 0.001 0.000 0.248 278 V C 3.004 179.217 176.094 0.199 0.000 1.055 278 V CA 1.887 64.357 62.300 0.282 0.000 1.049 278 V CB -1.063 30.877 31.823 0.195 0.000 0.662 278 V HN 0.653 nan 8.190 nan 0.000 0.455 279 A N -0.784 122.171 122.820 0.225 0.000 1.855 279 A HA -0.248 4.072 4.320 0.001 0.000 0.215 279 A C 2.191 179.936 177.584 0.269 0.000 1.191 279 A CA 1.836 54.002 52.037 0.215 0.000 0.613 279 A CB -0.874 18.267 19.000 0.236 0.000 0.829 279 A HN 0.565 nan 8.150 nan 0.000 0.442 280 Y N 0.870 121.307 120.300 0.228 0.000 2.139 280 Y HA -0.281 4.270 4.550 0.001 0.000 0.282 280 Y C 2.431 178.402 175.900 0.117 0.000 1.179 280 Y CA 2.114 60.343 58.100 0.214 0.000 1.161 280 Y CB -0.585 38.069 38.460 0.323 0.000 0.970 280 Y HN 0.377 nan 8.280 nan 0.000 0.511 281 R N 0.082 120.612 120.500 0.049 0.000 2.120 281 R HA -0.219 4.122 4.340 0.001 0.000 0.234 281 R C 2.460 178.693 176.300 -0.111 0.000 1.123 281 R CA 1.746 57.776 56.100 -0.117 0.000 0.975 281 R CB -0.300 29.909 30.300 -0.153 0.000 0.866 281 R HN 0.618 nan 8.270 nan 0.000 0.446 282 Q N 0.544 120.325 119.800 -0.031 0.000 2.083 282 Q HA -0.133 4.208 4.340 0.001 0.000 0.198 282 Q C 2.218 178.193 176.000 -0.042 0.000 0.969 282 Q CA 1.330 57.114 55.803 -0.030 0.000 0.838 282 Q CB -0.191 28.553 28.738 0.010 0.000 0.900 282 Q HN 0.491 nan 8.270 nan 0.000 0.436 283 L N 0.406 121.614 121.223 -0.025 0.000 2.042 283 L HA -0.188 4.152 4.340 0.001 0.000 0.210 283 L C 1.903 178.720 176.870 -0.088 0.000 1.076 283 L CA 1.965 56.775 54.840 -0.051 0.000 0.749 283 L CB -0.245 41.791 42.059 -0.039 0.000 0.893 283 L HN 0.242 nan 8.230 nan 0.000 0.432 284 S N -0.053 115.564 115.700 -0.140 0.000 2.406 284 S HA 0.007 4.478 4.470 0.001 0.000 0.224 284 S C 1.860 176.394 174.600 -0.109 0.000 1.030 284 S CA 0.871 58.978 58.200 -0.155 0.000 0.958 284 S CB -0.204 62.823 63.200 -0.288 0.000 0.811 284 S HN 0.390 nan 8.310 nan 0.000 0.489 285 L N 1.105 122.265 121.223 -0.105 0.000 2.093 285 L HA 0.006 4.347 4.340 0.001 0.000 0.208 285 L C 2.011 178.846 176.870 -0.057 0.000 1.085 285 L CA 0.974 55.767 54.840 -0.077 0.000 0.755 285 L CB -0.460 41.552 42.059 -0.079 0.000 0.904 285 L HN 0.281 nan 8.230 nan 0.000 0.435 286 L N -0.795 120.395 121.223 -0.056 0.000 2.313 286 L HA -0.130 4.211 4.340 0.001 0.000 0.214 286 L C 2.092 178.938 176.870 -0.039 0.000 1.119 286 L CA 0.574 55.388 54.840 -0.044 0.000 0.809 286 L CB -0.136 41.898 42.059 -0.043 0.000 0.933 286 L HN 0.277 nan 8.230 nan 0.000 0.449 287 L N -0.556 120.640 121.223 -0.046 0.000 2.599 287 L HA 0.054 4.394 4.340 0.001 0.000 0.230 287 L C 0.883 177.737 176.870 -0.028 0.000 1.141 287 L CA 0.202 55.021 54.840 -0.035 0.000 0.877 287 L CB -0.089 41.946 42.059 -0.041 0.000 1.009 287 L HN 0.282 nan 8.230 nan 0.000 0.447 288 R N -0.418 120.062 120.500 -0.033 0.000 3.951 288 R HA -0.164 4.176 4.340 0.001 0.000 0.352 288 R C 0.075 176.360 176.300 -0.025 0.000 1.178 288 R CA 0.442 56.526 56.100 -0.027 0.000 0.949 288 R CB -1.714 28.576 30.300 -0.017 0.000 1.452 288 R HN 0.378 nan 8.270 nan 0.000 0.540 289 R N 1.669 122.150 120.500 -0.032 0.000 2.449 289 R HA 0.106 4.446 4.340 0.001 0.000 0.296 289 R C -2.086 174.197 176.300 -0.027 0.000 1.047 289 R CA -1.336 54.749 56.100 -0.026 0.000 1.018 289 R CB 0.249 30.532 30.300 -0.030 0.000 0.962 289 R HN -0.094 nan 8.270 nan 0.000 0.428 290 P HA 0.045 nan 4.420 nan 0.000 0.267 290 P C -2.173 175.119 177.300 -0.012 0.000 1.209 290 P CA -0.904 62.188 63.100 -0.013 0.000 0.763 290 P CB 0.100 31.797 31.700 -0.004 0.000 0.816 291 P HA 0.267 nan 4.420 nan 0.000 0.273 291 P C 0.274 177.581 177.300 0.011 0.000 1.250 291 P CA -0.026 63.064 63.100 -0.016 0.000 0.793 291 P CB 0.689 32.370 31.700 -0.033 0.000 1.011 292 G N -0.506 108.320 108.800 0.043 0.000 3.262 292 G HA2 0.355 4.315 3.960 0.001 0.000 0.229 292 G HA3 0.355 4.315 3.960 0.001 0.000 0.229 292 G C -0.633 174.300 174.900 0.056 0.000 1.280 292 G CA -0.911 44.226 45.100 0.062 0.000 0.951 292 G HN 0.414 nan 8.290 nan 0.000 0.589 293 R N 0.841 121.350 120.500 0.015 0.000 2.500 293 R HA -0.021 4.320 4.340 0.001 0.000 0.281 293 R C 0.116 176.468 176.300 0.086 0.000 0.953 293 R CA 1.042 57.086 56.100 -0.095 0.000 1.108 293 R CB -0.182 29.796 30.300 -0.536 0.000 0.901 293 R HN 0.778 nan 8.270 nan 0.000 0.410 294 E N 1.651 121.878 120.200 0.045 0.000 2.539 294 E HA -0.341 4.010 4.350 0.001 0.000 0.253 294 E C 0.469 177.044 176.600 -0.042 0.000 1.145 294 E CA 0.503 56.954 56.400 0.084 0.000 0.738 294 E CB -1.133 28.735 29.700 0.280 0.000 1.308 294 E HN 0.865 nan 8.360 nan 0.000 0.409 295 A N -2.322 120.475 122.820 -0.039 0.000 3.420 295 A HA -0.335 3.986 4.320 0.001 0.000 0.269 295 A C 0.311 177.829 177.584 -0.109 0.000 1.122 295 A CA 1.937 53.917 52.037 -0.095 0.000 1.023 295 A CB -2.059 16.854 19.000 -0.146 0.000 1.099 295 A HN 0.493 nan 8.150 nan 0.000 0.860 296 Y N -0.188 120.172 120.300 0.099 0.000 2.385 296 Y HA 0.380 4.931 4.550 0.001 0.000 0.346 296 Y C -1.592 174.325 175.900 0.029 0.000 1.270 296 Y CA -0.989 57.165 58.100 0.090 0.000 1.472 296 Y CB 0.132 38.734 38.460 0.236 0.000 1.354 296 Y HN 0.155 nan 8.280 nan 0.000 0.611 297 P HA 0.070 nan 4.420 nan 0.000 0.278 297 P C 0.541 177.935 177.300 0.157 0.000 1.238 297 P CA 0.159 63.258 63.100 -0.002 0.000 0.794 297 P CB 0.949 32.456 31.700 -0.322 0.000 0.955 298 G N 2.375 111.256 108.800 0.134 0.000 2.550 298 G HA2 -0.266 3.694 3.960 0.001 0.000 0.222 298 G HA3 -0.266 3.694 3.960 0.001 0.000 0.222 298 G C 0.709 175.740 174.900 0.219 0.000 1.113 298 G CA 1.074 46.271 45.100 0.163 0.000 0.748 298 G HN 0.651 nan 8.290 nan 0.000 0.585 299 D N 0.013 120.567 120.400 0.257 0.000 2.463 299 D HA 0.114 4.755 4.640 0.001 0.000 0.224 299 D C 1.752 178.277 176.300 0.376 0.000 1.174 299 D CA -0.308 53.887 54.000 0.325 0.000 0.829 299 D CB 0.046 41.049 40.800 0.338 0.000 0.993 299 D HN 0.123 nan 8.370 nan 0.000 0.497 300 V N 0.109 120.218 119.914 0.324 0.000 2.828 300 V HA -0.186 3.935 4.120 0.001 0.000 0.260 300 V C 1.634 177.728 176.094 -0.001 0.000 1.101 300 V CA 1.348 63.766 62.300 0.197 0.000 1.123 300 V CB -0.899 30.951 31.823 0.045 0.000 0.704 300 V HN 0.287 nan 8.190 nan 0.000 0.493 301 F N -0.296 119.652 119.950 -0.002 0.000 2.149 301 F HA -0.118 4.409 4.527 0.001 0.000 0.294 301 F C 2.098 177.943 175.800 0.075 0.000 1.095 301 F CA 1.989 59.989 58.000 -0.000 0.000 1.276 301 F CB -0.621 38.417 39.000 0.063 0.000 1.023 301 F HN 0.293 nan 8.300 nan 0.000 0.480 302 Y N 1.019 121.356 120.300 0.062 0.000 2.241 302 Y HA -0.249 4.301 4.550 0.001 0.000 0.286 302 Y C 2.187 178.003 175.900 -0.141 0.000 1.166 302 Y CA 1.611 59.688 58.100 -0.038 0.000 1.203 302 Y CB -0.967 37.550 38.460 0.095 0.000 0.977 302 Y HN 0.269 nan 8.280 nan 0.000 0.529 303 L N -0.376 120.738 121.223 -0.181 0.000 2.021 303 L HA -0.306 4.035 4.340 0.001 0.000 0.215 303 L C 2.137 178.830 176.870 -0.296 0.000 1.074 303 L CA 2.517 57.170 54.840 -0.311 0.000 0.760 303 L CB -0.652 41.172 42.059 -0.391 0.000 0.889 303 L HN 0.375 nan 8.230 nan 0.000 0.433 304 H N -2.318 116.559 119.070 -0.321 0.000 2.486 304 H HA 0.032 4.589 4.556 0.001 0.000 0.287 304 H C 2.352 177.429 175.328 -0.420 0.000 1.010 304 H CA 0.644 56.459 56.048 -0.388 0.000 1.324 304 H CB 0.140 29.680 29.762 -0.371 0.000 1.446 304 H HN 0.508 nan 8.280 nan 0.000 0.537 305 S N 1.629 117.073 115.700 -0.427 0.000 2.368 305 S HA -0.212 4.258 4.470 0.001 0.000 0.224 305 S C 2.090 176.569 174.600 -0.203 0.000 1.029 305 S CA 1.199 59.168 58.200 -0.386 0.000 0.988 305 S CB -0.183 62.694 63.200 -0.537 0.000 0.838 305 S HN 0.537 nan 8.310 nan 0.000 0.462 306 R N 0.581 120.905 120.500 -0.293 0.000 2.119 306 R HA 0.207 4.548 4.340 0.001 0.000 0.222 306 R C 2.327 178.552 176.300 -0.124 0.000 1.088 306 R CA 0.891 56.840 56.100 -0.251 0.000 0.984 306 R CB -0.790 29.146 30.300 -0.607 0.000 0.884 306 R HN 0.406 nan 8.270 nan 0.000 0.447 307 L N 1.469 122.639 121.223 -0.089 0.000 1.989 307 L HA -0.092 4.249 4.340 0.001 0.000 0.211 307 L C 2.030 178.806 176.870 -0.157 0.000 1.071 307 L CA 1.772 56.549 54.840 -0.105 0.000 0.749 307 L CB -0.296 41.526 42.059 -0.396 0.000 0.890 307 L HN 0.250 nan 8.230 nan 0.000 0.431 308 L N -0.797 120.314 121.223 -0.187 0.000 2.418 308 L HA -0.012 4.328 4.340 0.001 0.000 0.218 308 L C 2.390 179.232 176.870 -0.046 0.000 1.125 308 L CA 0.266 55.028 54.840 -0.131 0.000 0.835 308 L CB -0.497 41.465 42.059 -0.162 0.000 0.953 308 L HN 0.291 nan 8.230 nan 0.000 0.454 309 E N 0.441 120.617 120.200 -0.040 0.000 2.204 309 E HA -0.154 4.197 4.350 0.001 0.000 0.194 309 E C 2.155 178.765 176.600 0.017 0.000 0.989 309 E CA 0.648 57.047 56.400 -0.001 0.000 0.824 309 E CB 0.050 29.758 29.700 0.013 0.000 0.756 309 E HN 0.479 nan 8.360 nan 0.000 0.477 310 R N 0.845 121.357 120.500 0.020 0.000 2.127 310 R HA -0.035 4.305 4.340 0.001 0.000 0.238 310 R C 1.077 177.408 176.300 0.052 0.000 1.134 310 R CA 0.744 56.869 56.100 0.040 0.000 0.975 310 R CB -0.218 30.117 30.300 0.057 0.000 0.865 310 R HN -0.054 nan 8.270 nan 0.000 0.447 311 A N 1.056 123.910 122.820 0.058 0.000 2.454 311 A HA 0.553 4.873 4.320 0.001 0.000 0.260 311 A C -0.133 177.477 177.584 0.043 0.000 1.106 311 A CA 0.206 52.280 52.037 0.062 0.000 0.780 311 A CB 0.316 19.360 19.000 0.074 0.000 1.044 311 A HN 0.346 nan 8.150 nan 0.000 0.498 312 A N 2.415 125.261 122.820 0.043 0.000 2.581 312 A HA 0.774 5.094 4.320 0.001 0.000 0.290 312 A C -0.814 176.794 177.584 0.041 0.000 1.119 312 A CA -0.705 51.354 52.037 0.036 0.000 0.670 312 A CB 1.081 20.100 19.000 0.032 0.000 1.280 312 A HN 0.980 nan 8.150 nan 0.000 0.425 313 K N 1.210 121.635 120.400 0.041 0.000 2.483 313 K HA 0.659 4.980 4.320 0.001 0.000 0.256 313 K C -1.200 175.427 176.600 0.046 0.000 0.961 313 K CA -0.275 56.044 56.287 0.052 0.000 0.873 313 K CB 0.372 32.907 32.500 0.059 0.000 1.107 313 K HN 0.612 nan 8.250 nan 0.000 0.432 314 L N 2.711 123.953 121.223 0.032 0.000 2.472 314 L HA 0.268 4.609 4.340 0.001 0.000 0.260 314 L C 0.740 177.626 176.870 0.027 0.000 1.209 314 L CA -0.526 54.324 54.840 0.017 0.000 0.817 314 L CB 0.933 42.985 42.059 -0.011 0.000 1.106 314 L HN 0.873 nan 8.230 nan 0.000 0.479 315 S N -0.266 115.443 115.700 0.015 0.000 2.634 315 S HA 0.089 4.560 4.470 0.001 0.000 0.261 315 S C 0.825 175.431 174.600 0.010 0.000 1.271 315 S CA -0.657 57.553 58.200 0.016 0.000 0.985 315 S CB 0.992 64.197 63.200 0.007 0.000 0.968 315 S HN 0.648 nan 8.310 nan 0.000 0.568 316 E N 0.623 120.829 120.200 0.010 0.000 2.097 316 E HA -0.225 4.126 4.350 0.001 0.000 0.196 316 E C 1.825 178.420 176.600 -0.007 0.000 1.000 316 E CA 1.409 57.812 56.400 0.004 0.000 0.804 316 E CB -0.226 29.475 29.700 0.001 0.000 0.740 316 E HN 0.689 nan 8.360 nan 0.000 0.454 317 K N 0.497 120.891 120.400 -0.009 0.000 2.360 317 K HA -0.147 4.174 4.320 0.001 0.000 0.201 317 K C 1.046 177.632 176.600 -0.023 0.000 1.046 317 K CA 0.995 57.273 56.287 -0.015 0.000 0.940 317 K CB 0.292 32.784 32.500 -0.012 0.000 0.748 317 K HN -0.018 nan 8.250 nan 0.000 0.465 318 E N -1.382 118.803 120.200 -0.026 0.000 2.548 318 E HA 0.137 4.487 4.350 0.001 0.000 0.206 318 E C 0.703 177.269 176.600 -0.057 0.000 1.005 318 E CA 0.522 56.898 56.400 -0.041 0.000 0.951 318 E CB 1.152 30.831 29.700 -0.035 0.000 1.035 318 E HN 0.386 nan 8.360 nan 0.000 0.470 319 G N 1.488 110.260 108.800 -0.046 0.000 2.157 319 G HA2 -0.362 3.598 3.960 0.001 0.000 0.248 319 G HA3 -0.362 3.598 3.960 0.001 0.000 0.248 319 G C 0.623 175.490 174.900 -0.054 0.000 0.979 319 G CA 0.443 45.509 45.100 -0.056 0.000 0.650 319 G HN 0.159 nan 8.290 nan 0.000 0.529 320 S N -1.990 113.692 115.700 -0.029 0.000 3.261 320 S HA -0.170 4.301 4.470 0.001 0.000 0.287 320 S C 1.711 176.281 174.600 -0.051 0.000 1.281 320 S CA 1.519 59.723 58.200 0.007 0.000 1.053 320 S CB -1.504 61.733 63.200 0.062 0.000 1.251 320 S HN 2.279 nan 8.310 nan 0.000 0.659 321 G N 1.596 110.306 108.800 -0.150 0.000 2.491 321 G HA2 0.446 4.406 3.960 0.001 0.000 0.238 321 G HA3 0.446 4.406 3.960 0.001 0.000 0.238 321 G C -0.017 174.811 174.900 -0.120 0.000 1.277 321 G CA 0.487 45.416 45.100 -0.286 0.000 0.851 321 G HN 1.060 nan 8.290 nan 0.000 0.573 322 S N 0.412 116.070 115.700 -0.070 0.000 2.536 322 S HA 0.645 5.116 4.470 0.001 0.000 0.298 322 S C -1.063 173.600 174.600 0.105 0.000 1.083 322 S CA -0.901 57.373 58.200 0.123 0.000 0.995 322 S CB 1.994 65.371 63.200 0.295 0.000 1.058 322 S HN 0.689 nan 8.310 nan 0.000 0.488 323 L N 2.852 124.123 121.223 0.080 0.000 2.319 323 L HA 0.595 4.936 4.340 0.001 0.000 0.281 323 L C -0.553 176.346 176.870 0.049 0.000 1.005 323 L CA 0.120 55.004 54.840 0.074 0.000 0.828 323 L CB 1.413 43.519 42.059 0.079 0.000 1.227 323 L HN 0.933 nan 8.230 nan 0.000 0.415 324 T N 4.519 119.089 114.554 0.026 0.000 2.749 324 T HA 0.781 5.132 4.350 0.001 0.000 0.287 324 T C -0.023 174.672 174.700 -0.009 0.000 0.970 324 T CA -0.337 61.764 62.100 0.001 0.000 0.980 324 T CB 1.226 70.078 68.868 -0.027 0.000 0.924 324 T HN 0.757 nan 8.240 nan 0.000 0.456 325 A N 3.649 126.479 122.820 0.016 0.000 2.312 325 A HA 0.771 5.091 4.320 0.001 0.000 0.326 325 A C -0.305 177.285 177.584 0.010 0.000 1.172 325 A CA -0.753 51.305 52.037 0.035 0.000 0.821 325 A CB 0.469 19.584 19.000 0.191 0.000 1.166 325 A HN 0.888 nan 8.150 nan 0.000 0.493 326 L N 4.341 125.553 121.223 -0.017 0.000 2.457 326 L HA 0.312 4.653 4.340 0.001 0.000 0.252 326 L C -2.377 174.497 176.870 0.006 0.000 1.132 326 L CA -1.692 53.137 54.840 -0.018 0.000 0.938 326 L CB 1.593 43.631 42.059 -0.034 0.000 1.246 326 L HN 0.519 nan 8.230 nan 0.000 0.476 327 P HA 0.149 nan 4.420 nan 0.000 0.275 327 P C -0.496 176.767 177.300 -0.062 0.000 1.228 327 P CA -0.148 62.966 63.100 0.022 0.000 0.786 327 P CB 2.101 33.749 31.700 -0.086 0.000 0.927 328 V N 4.081 123.949 119.914 -0.076 0.000 2.513 328 V HA 0.394 4.515 4.120 0.001 0.000 0.299 328 V C 0.422 176.452 176.094 -0.106 0.000 1.035 328 V CA -0.620 61.631 62.300 -0.081 0.000 0.889 328 V CB 1.616 33.409 31.823 -0.050 0.000 0.988 328 V HN 0.423 nan 8.190 nan 0.000 0.440 329 I N 3.447 123.957 120.570 -0.099 0.000 2.569 329 I HA 0.489 4.659 4.170 0.001 0.000 0.296 329 I C -0.122 175.971 176.117 -0.041 0.000 1.028 329 I CA -0.498 60.752 61.300 -0.084 0.000 1.082 329 I CB 2.139 40.080 38.000 -0.098 0.000 1.264 329 I HN 0.804 nan 8.210 nan 0.000 0.429 330 E N 4.364 124.555 120.200 -0.014 0.000 2.158 330 E HA 0.497 4.847 4.350 0.001 0.000 0.271 330 E C -0.838 175.783 176.600 0.034 0.000 0.911 330 E CA -0.429 55.977 56.400 0.011 0.000 0.767 330 E CB 1.492 31.201 29.700 0.016 0.000 1.120 330 E HN 0.704 nan 8.360 nan 0.000 0.405 331 T N 1.760 116.343 114.554 0.048 0.000 2.897 331 T HA 0.376 4.727 4.350 0.001 0.000 0.278 331 T C -0.132 174.608 174.700 0.065 0.000 0.981 331 T CA -1.002 61.139 62.100 0.068 0.000 0.973 331 T CB 1.386 70.310 68.868 0.092 0.000 1.092 331 T HN 0.401 nan 8.240 nan 0.000 0.543 332 Q N 0.231 120.074 119.800 0.071 0.000 2.327 332 Q HA 0.481 4.822 4.340 0.001 0.000 0.270 332 Q C 0.670 176.705 176.000 0.059 0.000 1.022 332 Q CA -0.295 55.546 55.803 0.063 0.000 0.773 332 Q CB 1.403 30.180 28.738 0.066 0.000 1.251 332 Q HN 1.323 nan 8.270 nan 0.000 0.457 333 G N 1.663 110.495 108.800 0.053 0.000 2.323 333 G HA2 -0.232 3.729 3.960 0.001 0.000 0.292 333 G HA3 -0.232 3.729 3.960 0.001 0.000 0.292 333 G C 0.826 175.758 174.900 0.053 0.000 1.040 333 G CA 0.858 45.987 45.100 0.050 0.000 0.942 333 G HN 1.287 nan 8.290 nan 0.000 0.506 334 G N -0.632 108.206 108.800 0.062 0.000 2.212 334 G HA2 -0.279 3.682 3.960 0.001 0.000 0.267 334 G HA3 -0.279 3.682 3.960 0.001 0.000 0.267 334 G C 0.353 175.295 174.900 0.070 0.000 1.002 334 G CA 1.073 46.215 45.100 0.070 0.000 0.729 334 G HN 1.434 nan 8.290 nan 0.000 0.517 335 D N 0.404 120.848 120.400 0.073 0.000 2.498 335 D HA 0.323 4.964 4.640 0.001 0.000 0.229 335 D C 1.807 178.167 176.300 0.100 0.000 1.188 335 D CA 0.360 54.405 54.000 0.074 0.000 1.028 335 D CB 0.319 41.161 40.800 0.071 0.000 1.087 335 D HN 0.612 nan 8.370 nan 0.000 0.510 336 V N 1.003 120.985 119.914 0.113 0.000 3.510 336 V HA 0.032 4.152 4.120 0.001 0.000 0.270 336 V C 1.263 177.437 176.094 0.133 0.000 1.201 336 V CA 0.704 63.102 62.300 0.163 0.000 1.166 336 V CB -0.189 31.793 31.823 0.265 0.000 0.825 336 V HN 0.285 nan 8.190 nan 0.000 0.484 337 S N 0.871 116.632 115.700 0.101 0.000 2.575 337 S HA 0.546 5.017 4.470 0.001 0.000 0.215 337 S C 1.271 175.938 174.600 0.112 0.000 0.966 337 S CA 0.375 58.632 58.200 0.095 0.000 0.911 337 S CB -0.025 63.216 63.200 0.068 0.000 0.780 337 S HN 0.931 nan 8.310 nan 0.000 0.514 338 A N 0.987 123.880 122.820 0.122 0.000 2.346 338 A HA 0.325 4.645 4.320 0.001 0.000 0.255 338 A C 0.973 178.678 177.584 0.202 0.000 1.113 338 A CA -0.130 51.997 52.037 0.150 0.000 0.798 338 A CB -0.196 18.887 19.000 0.137 0.000 1.073 338 A HN 0.295 nan 8.150 nan 0.000 0.502 339 Y N 0.425 120.761 120.300 0.060 0.000 2.070 339 Y HA -0.182 4.368 4.550 0.001 0.000 0.279 339 Y C 1.994 177.902 175.900 0.013 0.000 1.134 339 Y CA 2.032 60.157 58.100 0.041 0.000 1.113 339 Y CB -0.381 38.110 38.460 0.053 0.000 0.981 339 Y HN 0.452 nan 8.280 nan 0.000 0.487 340 I N 0.807 121.277 120.570 -0.168 0.000 2.226 340 I HA -0.179 3.991 4.170 0.001 0.000 0.245 340 I C -0.436 175.643 176.117 -0.062 0.000 1.100 340 I CA 1.286 62.428 61.300 -0.263 0.000 1.374 340 I CB -2.808 35.033 38.000 -0.264 0.000 1.057 340 I HN 0.192 nan 8.210 nan 0.000 0.413 341 P HA -0.095 nan 4.420 nan 0.000 0.216 341 P C 1.787 179.124 177.300 0.061 0.000 1.150 341 P CA 1.591 64.708 63.100 0.028 0.000 0.837 341 P CB -0.185 31.554 31.700 0.065 0.000 0.786 342 T N -0.748 113.865 114.554 0.098 0.000 2.720 342 T HA -0.144 4.207 4.350 0.001 0.000 0.268 342 T C 1.594 176.379 174.700 0.141 0.000 1.037 342 T CA 1.534 63.709 62.100 0.125 0.000 1.144 342 T CB -0.931 68.028 68.868 0.152 0.000 0.864 342 T HN 0.114 nan 8.240 nan 0.000 0.444 343 N N 1.048 119.833 118.700 0.142 0.000 2.013 343 N HA -0.085 4.656 4.740 0.001 0.000 0.195 343 N C 1.996 177.621 175.510 0.191 0.000 1.051 343 N CA 1.022 54.230 53.050 0.262 0.000 0.851 343 N CB -1.036 37.562 38.487 0.185 0.000 1.044 343 N HN 0.194 nan 8.380 nan 0.000 0.422 344 V N 1.415 121.364 119.914 0.059 0.000 2.407 344 V HA -0.160 3.961 4.120 0.001 0.000 0.248 344 V C 2.191 178.280 176.094 -0.007 0.000 1.055 344 V CA 1.140 63.422 62.300 -0.029 0.000 1.049 344 V CB -0.548 31.194 31.823 -0.135 0.000 0.662 344 V HN 0.246 nan 8.190 nan 0.000 0.455 345 I N -0.081 120.503 120.570 0.023 0.000 2.264 345 I HA -0.243 3.927 4.170 0.001 0.000 0.248 345 I C 2.624 178.783 176.117 0.071 0.000 1.111 345 I CA 1.521 62.841 61.300 0.034 0.000 1.382 345 I CB -0.418 37.625 38.000 0.073 0.000 1.060 345 I HN 0.210 nan 8.210 nan 0.000 0.418 346 S N 0.355 116.128 115.700 0.122 0.000 2.400 346 S HA -0.124 4.347 4.470 0.001 0.000 0.232 346 S C 1.891 176.581 174.600 0.150 0.000 1.025 346 S CA 1.366 59.665 58.200 0.165 0.000 0.993 346 S CB -0.183 63.194 63.200 0.294 0.000 0.808 346 S HN 0.332 nan 8.310 nan 0.000 0.478 347 I N 0.305 120.936 120.570 0.101 0.000 2.556 347 I HA -0.005 4.166 4.170 0.001 0.000 0.251 347 I C 1.450 177.576 176.117 0.015 0.000 1.105 347 I CA 0.452 61.780 61.300 0.047 0.000 1.436 347 I CB -0.404 37.562 38.000 -0.056 0.000 1.139 347 I HN 0.265 nan 8.210 nan 0.000 0.438 348 T N -1.536 113.014 114.554 -0.007 0.000 2.701 348 T HA 0.028 4.379 4.350 0.001 0.000 0.303 348 T C 0.404 175.106 174.700 0.003 0.000 1.030 348 T CA -0.331 61.758 62.100 -0.019 0.000 1.010 348 T CB 0.492 69.333 68.868 -0.046 0.000 1.007 348 T HN 0.059 nan 8.240 nan 0.000 0.532 349 D N 0.435 120.834 120.400 -0.001 0.000 2.395 349 D HA 0.399 5.040 4.640 0.001 0.000 0.226 349 D C 0.951 177.257 176.300 0.010 0.000 1.146 349 D CA 0.405 54.411 54.000 0.010 0.000 0.830 349 D CB -0.190 40.615 40.800 0.009 0.000 0.958 349 D HN 0.976 nan 8.370 nan 0.000 0.501 350 G N 0.523 109.325 108.800 0.002 0.000 2.347 350 G HA2 0.177 4.137 3.960 0.001 0.000 0.477 350 G HA3 0.177 4.137 3.960 0.001 0.000 0.477 350 G C -1.756 173.118 174.900 -0.043 0.000 1.349 350 G CA -0.999 44.103 45.100 0.003 0.000 1.000 350 G HN 0.053 nan 8.290 nan 0.000 0.605 351 Q N -1.305 118.457 119.800 -0.062 0.000 2.462 351 Q HA 0.755 5.096 4.340 0.001 0.000 0.285 351 Q C -0.723 175.192 176.000 -0.143 0.000 1.035 351 Q CA -0.654 55.040 55.803 -0.182 0.000 0.799 351 Q CB 2.129 30.605 28.738 -0.438 0.000 1.452 351 Q HN 0.714 nan 8.270 nan 0.000 0.404 352 I N 1.610 122.076 120.570 -0.172 0.000 2.330 352 I HA 0.386 4.557 4.170 0.001 0.000 0.289 352 I C -0.947 175.080 176.117 -0.150 0.000 1.001 352 I CA -0.416 60.837 61.300 -0.078 0.000 1.193 352 I CB 0.555 38.534 38.000 -0.035 0.000 1.345 352 I HN 0.436 nan 8.210 nan 0.000 0.461 353 F N 6.897 126.860 119.950 0.021 0.000 2.405 353 F HA 0.476 5.004 4.527 0.001 0.000 0.355 353 F C -0.041 175.774 175.800 0.025 0.000 1.121 353 F CA -0.313 57.700 58.000 0.022 0.000 1.112 353 F CB 0.912 39.928 39.000 0.026 0.000 1.126 353 F HN 0.160 nan 8.300 nan 0.000 0.481 354 L N 3.956 125.296 121.223 0.196 0.000 2.329 354 L HA 0.553 4.894 4.340 0.001 0.000 0.279 354 L C -0.608 176.337 176.870 0.126 0.000 1.014 354 L CA -0.652 54.267 54.840 0.131 0.000 0.814 354 L CB 1.910 44.009 42.059 0.067 0.000 1.257 354 L HN 0.540 nan 8.230 nan 0.000 0.424 355 E N 0.764 121.031 120.200 0.111 0.000 2.256 355 E HA 0.395 4.746 4.350 0.001 0.000 0.268 355 E C 0.076 176.731 176.600 0.092 0.000 0.877 355 E CA -0.464 55.995 56.400 0.097 0.000 0.757 355 E CB 2.340 32.098 29.700 0.096 0.000 1.183 355 E HN 0.715 nan 8.360 nan 0.000 0.418 356 A N 2.883 125.747 122.820 0.073 0.000 1.902 356 A HA -0.217 4.103 4.320 0.001 0.000 0.217 356 A C 1.870 179.576 177.584 0.203 0.000 1.181 356 A CA 1.360 53.445 52.037 0.080 0.000 0.623 356 A CB -0.242 18.837 19.000 0.131 0.000 0.818 356 A HN 0.727 nan 8.150 nan 0.000 0.443 357 E N -0.082 120.231 120.200 0.189 0.000 2.086 357 E HA -0.220 4.131 4.350 0.001 0.000 0.200 357 E C 1.947 178.652 176.600 0.175 0.000 1.012 357 E CA 1.619 58.133 56.400 0.189 0.000 0.812 357 E CB -0.247 29.524 29.700 0.118 0.000 0.743 357 E HN 0.672 nan 8.360 nan 0.000 0.453 358 L N -0.561 120.745 121.223 0.138 0.000 2.179 358 L HA -0.085 4.255 4.340 0.001 0.000 0.208 358 L C 2.432 179.361 176.870 0.098 0.000 1.096 358 L CA 0.402 55.309 54.840 0.111 0.000 0.779 358 L CB -0.372 41.745 42.059 0.097 0.000 0.922 358 L HN 0.095 nan 8.230 nan 0.000 0.443 359 F N 0.051 119.952 119.950 -0.082 0.000 2.102 359 F HA -0.287 4.240 4.527 0.001 0.000 0.298 359 F C 2.175 177.841 175.800 -0.224 0.000 1.105 359 F CA 1.679 59.552 58.000 -0.210 0.000 1.239 359 F CB -0.192 38.574 39.000 -0.390 0.000 0.991 359 F HN -0.027 nan 8.300 nan 0.000 0.474 360 Y N 0.121 120.570 120.300 0.248 0.000 2.509 360 Y HA -0.015 4.536 4.550 0.002 0.000 0.293 360 Y C 2.081 178.005 175.900 0.040 0.000 1.133 360 Y CA 0.808 58.988 58.100 0.134 0.000 1.283 360 Y CB -0.693 37.863 38.460 0.160 0.000 1.001 360 Y HN 0.014 nan 8.280 nan 0.000 0.555 361 K N -0.726 119.759 120.400 0.142 0.000 2.487 361 K HA 0.102 4.423 4.320 0.001 0.000 0.192 361 K C 1.424 178.036 176.600 0.019 0.000 1.027 361 K CA 0.719 57.055 56.287 0.082 0.000 1.054 361 K CB -0.085 32.464 32.500 0.082 0.000 0.824 361 K HN 0.472 nan 8.250 nan 0.000 0.510 362 G N 1.242 110.008 108.800 -0.058 0.000 2.259 362 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 362 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 362 G C 0.235 175.048 174.900 -0.145 0.000 1.001 362 G CA -0.352 44.678 45.100 -0.117 0.000 0.627 362 G HN 0.201 nan 8.290 nan 0.000 0.501 363 I N 2.082 122.602 120.570 -0.083 0.000 2.691 363 I HA 0.289 4.460 4.170 0.001 0.000 0.288 363 I C 0.719 176.780 176.117 -0.093 0.000 1.143 363 I CA 0.631 61.901 61.300 -0.050 0.000 1.364 363 I CB 0.168 38.177 38.000 0.016 0.000 1.435 363 I HN 0.123 nan 8.210 nan 0.000 0.551 364 R N 6.782 127.221 120.500 -0.102 0.000 2.538 364 R HA 0.425 4.766 4.340 0.001 0.000 0.292 364 R C -2.637 173.642 176.300 -0.034 0.000 1.008 364 R CA -1.638 54.406 56.100 -0.093 0.000 0.896 364 R CB 1.591 31.760 30.300 -0.219 0.000 1.187 364 R HN 0.166 nan 8.270 nan 0.000 0.440 365 P HA -0.047 nan 4.420 nan 0.000 0.265 365 P C -0.513 176.823 177.300 0.060 0.000 1.187 365 P CA 0.174 63.298 63.100 0.040 0.000 0.766 365 P CB 0.723 32.441 31.700 0.030 0.000 0.820 366 A N 4.558 127.449 122.820 0.117 0.000 3.029 366 A HA 0.139 4.460 4.320 0.001 0.000 0.251 366 A C 0.446 178.094 177.584 0.107 0.000 1.749 366 A CA -0.102 52.010 52.037 0.125 0.000 1.386 366 A CB -1.481 17.644 19.000 0.207 0.000 1.043 366 A HN 0.468 nan 8.150 nan 0.000 0.638 367 I N 1.079 121.703 120.570 0.090 0.000 2.441 367 I HA 0.055 4.225 4.170 0.001 0.000 0.287 367 I C 0.567 176.748 176.117 0.108 0.000 1.049 367 I CA -0.425 60.936 61.300 0.101 0.000 1.381 367 I CB 0.792 38.842 38.000 0.083 0.000 1.409 367 I HN 0.375 nan 8.210 nan 0.000 0.523 368 N N 6.376 125.158 118.700 0.135 0.000 2.482 368 N HA 0.083 4.823 4.740 0.001 0.000 0.242 368 N C 0.685 176.261 175.510 0.111 0.000 1.100 368 N CA -0.026 53.089 53.050 0.108 0.000 0.946 368 N CB 1.294 39.833 38.487 0.086 0.000 1.227 368 N HN 0.428 nan 8.380 nan 0.000 0.508 369 V N 3.153 123.123 119.914 0.094 0.000 2.490 369 V HA -0.121 4.000 4.120 0.001 0.000 0.250 369 V C 2.223 178.367 176.094 0.083 0.000 1.061 369 V CA 2.123 64.478 62.300 0.092 0.000 1.064 369 V CB -0.656 31.222 31.823 0.091 0.000 0.670 369 V HN 0.722 nan 8.190 nan 0.000 0.461 370 G N -1.044 107.794 108.800 0.062 0.000 2.572 370 G HA2 -0.039 3.922 3.960 0.001 0.000 0.216 370 G HA3 -0.039 3.922 3.960 0.001 0.000 0.216 370 G C 1.430 176.350 174.900 0.033 0.000 1.133 370 G CA 0.336 45.461 45.100 0.041 0.000 0.791 370 G HN 0.476 nan 8.290 nan 0.000 0.538 371 L N 0.225 121.472 121.223 0.040 0.000 2.537 371 L HA 0.204 4.545 4.340 0.001 0.000 0.224 371 L C 0.753 177.790 176.870 0.278 0.000 1.065 371 L CA 0.031 54.887 54.840 0.027 0.000 0.860 371 L CB 0.186 42.068 42.059 -0.295 0.000 1.086 371 L HN 0.011 nan 8.230 nan 0.000 0.482 372 S N 0.841 116.710 115.700 0.283 0.000 2.565 372 S HA 0.426 4.897 4.470 0.001 0.000 0.276 372 S C -0.121 174.569 174.600 0.149 0.000 1.326 372 S CA -0.466 57.887 58.200 0.256 0.000 1.045 372 S CB 1.680 64.988 63.200 0.180 0.000 0.918 372 S HN 0.141 nan 8.310 nan 0.000 0.505 373 V N -0.313 119.669 119.914 0.114 0.000 3.206 373 V HA 0.896 5.017 4.120 0.001 0.000 0.305 373 V C -0.601 175.521 176.094 0.046 0.000 1.257 373 V CA -0.734 61.612 62.300 0.076 0.000 1.057 373 V CB 2.055 33.925 31.823 0.078 0.000 1.075 373 V HN 0.652 nan 8.190 nan 0.000 0.443 374 S N 0.149 115.872 115.700 0.037 0.000 2.774 374 S HA 0.500 4.971 4.470 0.001 0.000 0.297 374 S C 0.646 175.261 174.600 0.025 0.000 1.143 374 S CA -0.624 57.590 58.200 0.022 0.000 1.090 374 S CB 1.225 64.433 63.200 0.015 0.000 1.019 374 S HN 0.839 nan 8.310 nan 0.000 0.482 375 R N 2.270 122.785 120.500 0.025 0.000 2.105 375 R HA -0.072 4.268 4.340 0.001 0.000 0.239 375 R C 1.892 178.206 176.300 0.023 0.000 1.135 375 R CA 1.491 57.608 56.100 0.027 0.000 0.967 375 R CB -0.360 29.957 30.300 0.028 0.000 0.861 375 R HN 0.549 nan 8.270 nan 0.000 0.442 376 V N 0.207 120.131 119.914 0.016 0.000 2.324 376 V HA -0.192 3.928 4.120 0.001 0.000 0.250 376 V C 1.508 177.611 176.094 0.015 0.000 1.060 376 V CA 1.875 64.183 62.300 0.014 0.000 1.042 376 V CB -0.994 30.831 31.823 0.003 0.000 0.650 376 V HN 0.792 nan 8.190 nan 0.000 0.450 377 G N -0.121 108.688 108.800 0.015 0.000 2.598 377 G HA2 -0.343 3.618 3.960 0.001 0.000 0.244 377 G HA3 -0.343 3.618 3.960 0.001 0.000 0.244 377 G C 0.946 175.855 174.900 0.014 0.000 1.302 377 G CA 0.868 45.979 45.100 0.019 0.000 0.903 377 G HN 1.098 nan 8.290 nan 0.000 0.575 378 S N -0.030 115.681 115.700 0.018 0.000 2.419 378 S HA 0.069 4.540 4.470 0.001 0.000 0.235 378 S C 2.731 177.339 174.600 0.013 0.000 1.019 378 S CA 2.355 60.565 58.200 0.016 0.000 0.982 378 S CB -0.699 62.513 63.200 0.021 0.000 0.789 378 S HN 2.322 nan 8.310 nan 0.000 0.490 379 A N 1.796 124.627 122.820 0.017 0.000 2.009 379 A HA 0.180 4.500 4.320 0.001 0.000 0.222 379 A C 1.740 179.336 177.584 0.020 0.000 1.175 379 A CA 1.630 53.682 52.037 0.024 0.000 0.651 379 A CB -1.080 17.938 19.000 0.030 0.000 0.815 379 A HN 1.335 nan 8.150 nan 0.000 0.459 380 A N -0.807 122.011 122.820 -0.004 0.000 3.150 380 A HA 0.586 4.907 4.320 0.001 0.000 0.328 380 A C -0.146 177.410 177.584 -0.047 0.000 1.104 380 A CA -0.131 51.883 52.037 -0.039 0.000 0.937 380 A CB -0.048 18.914 19.000 -0.063 0.000 1.073 380 A HN 0.489 nan 8.150 nan 0.000 0.497 381 Q N 1.277 121.058 119.800 -0.032 0.000 2.280 381 Q HA 0.421 4.762 4.340 0.001 0.000 0.259 381 Q C -1.277 174.712 176.000 -0.019 0.000 0.964 381 Q CA -0.576 55.211 55.803 -0.026 0.000 0.844 381 Q CB 2.096 30.830 28.738 -0.006 0.000 1.334 381 Q HN 0.315 nan 8.270 nan 0.000 0.423 382 V N 4.818 124.717 119.914 -0.025 0.000 2.625 382 V HA -0.159 3.961 4.120 0.001 0.000 0.305 382 V C 1.563 177.659 176.094 0.003 0.000 1.055 382 V CA 0.722 63.014 62.300 -0.013 0.000 1.209 382 V CB 0.163 31.983 31.823 -0.005 0.000 0.877 382 V HN 0.886 nan 8.190 nan 0.000 0.489 383 K N 3.574 123.977 120.400 0.005 0.000 2.113 383 K HA -0.249 4.072 4.320 0.001 0.000 0.208 383 K C 2.233 178.843 176.600 0.016 0.000 1.047 383 K CA 1.595 57.889 56.287 0.011 0.000 0.928 383 K CB -0.268 32.238 32.500 0.010 0.000 0.716 383 K HN 0.881 nan 8.250 nan 0.000 0.446 384 A N 1.498 124.326 122.820 0.013 0.000 1.884 384 A HA -0.226 4.094 4.320 0.001 0.000 0.219 384 A C 2.104 179.705 177.584 0.029 0.000 1.197 384 A CA 1.618 53.663 52.037 0.015 0.000 0.637 384 A CB -0.706 18.298 19.000 0.008 0.000 0.827 384 A HN 0.263 nan 8.150 nan 0.000 0.450 385 L N -0.331 120.909 121.223 0.029 0.000 2.141 385 L HA -0.095 4.246 4.340 0.001 0.000 0.209 385 L C 2.344 179.237 176.870 0.039 0.000 1.094 385 L CA 2.418 57.281 54.840 0.038 0.000 0.763 385 L CB -0.475 41.604 42.059 0.033 0.000 0.908 385 L HN 0.499 nan 8.230 nan 0.000 0.437 386 K N -0.993 119.425 120.400 0.031 0.000 2.026 386 K HA -0.233 4.087 4.320 0.001 0.000 0.208 386 K C 2.081 178.704 176.600 0.038 0.000 1.048 386 K CA 1.837 58.142 56.287 0.031 0.000 0.929 386 K CB -0.084 32.431 32.500 0.024 0.000 0.713 386 K HN 0.464 nan 8.250 nan 0.000 0.439 387 Q N 0.077 119.901 119.800 0.041 0.000 2.050 387 Q HA -0.154 4.186 4.340 0.001 0.000 0.202 387 Q C 2.165 178.208 176.000 0.072 0.000 0.980 387 Q CA 2.060 57.893 55.803 0.051 0.000 0.840 387 Q CB -0.110 28.657 28.738 0.047 0.000 0.898 387 Q HN 0.383 nan 8.270 nan 0.000 0.424 388 V N -2.099 117.870 119.914 0.091 0.000 2.453 388 V HA 0.063 4.184 4.120 0.001 0.000 0.247 388 V C 1.301 177.438 176.094 0.072 0.000 1.048 388 V CA 1.196 63.572 62.300 0.128 0.000 1.049 388 V CB -0.790 31.143 31.823 0.183 0.000 0.672 388 V HN 0.198 nan 8.190 nan 0.000 0.457 389 A N 1.258 124.111 122.820 0.056 0.000 3.126 389 A HA 0.664 4.985 4.320 0.001 0.000 0.268 389 A C 1.485 179.089 177.584 0.034 0.000 1.605 389 A CA 0.376 52.435 52.037 0.038 0.000 1.305 389 A CB -0.887 18.138 19.000 0.042 0.000 1.160 389 A HN 0.571 nan 8.150 nan 0.000 0.609 390 G N 0.523 109.338 108.800 0.026 0.000 2.942 390 G HA2 -0.126 3.835 3.960 0.001 0.000 0.199 390 G HA3 -0.126 3.835 3.960 0.001 0.000 0.199 390 G C 1.308 176.229 174.900 0.035 0.000 1.440 390 G CA 1.167 46.283 45.100 0.026 0.000 0.815 390 G HN 0.663 nan 8.290 nan 0.000 0.675 391 S N -0.021 115.702 115.700 0.038 0.000 2.552 391 S HA 0.188 4.659 4.470 0.001 0.000 0.246 391 S C 1.804 176.468 174.600 0.107 0.000 1.019 391 S CA -0.187 58.055 58.200 0.070 0.000 1.045 391 S CB -0.327 62.921 63.200 0.079 0.000 0.784 391 S HN 0.408 nan 8.310 nan 0.000 0.453 392 L N 2.189 123.458 121.223 0.077 0.000 2.051 392 L HA -0.115 4.226 4.340 0.001 0.000 0.214 392 L C 2.157 179.123 176.870 0.160 0.000 1.076 392 L CA 2.061 56.961 54.840 0.100 0.000 0.758 392 L CB -0.425 41.665 42.059 0.053 0.000 0.890 392 L HN 0.296 nan 8.230 nan 0.000 0.433 393 K N -0.942 119.528 120.400 0.117 0.000 2.103 393 K HA -0.124 4.197 4.320 0.001 0.000 0.204 393 K C 2.214 178.882 176.600 0.114 0.000 1.052 393 K CA 1.374 57.726 56.287 0.108 0.000 0.945 393 K CB -0.174 32.374 32.500 0.081 0.000 0.722 393 K HN 0.445 nan 8.250 nan 0.000 0.443 394 L N 0.411 121.703 121.223 0.115 0.000 2.156 394 L HA -0.128 4.213 4.340 0.001 0.000 0.208 394 L C 2.176 179.119 176.870 0.122 0.000 1.095 394 L CA 0.893 55.793 54.840 0.100 0.000 0.770 394 L CB -0.196 41.916 42.059 0.089 0.000 0.914 394 L HN 0.204 nan 8.230 nan 0.000 0.439 395 F N 0.199 120.171 119.950 0.037 0.000 2.146 395 F HA -0.204 4.323 4.527 0.001 0.000 0.298 395 F C 2.090 177.939 175.800 0.081 0.000 1.096 395 F CA 1.386 59.411 58.000 0.042 0.000 1.275 395 F CB -0.069 38.941 39.000 0.017 0.000 1.008 395 F HN -0.089 nan 8.300 nan 0.000 0.480 396 L N -0.090 121.234 121.223 0.169 0.000 2.191 396 L HA -0.179 4.162 4.340 0.001 0.000 0.212 396 L C 2.695 179.613 176.870 0.079 0.000 1.103 396 L CA 0.922 55.840 54.840 0.130 0.000 0.769 396 L CB -0.930 41.227 42.059 0.165 0.000 0.908 396 L HN 0.298 nan 8.230 nan 0.000 0.438 397 A N -0.491 122.349 122.820 0.033 0.000 1.898 397 A HA -0.218 4.103 4.320 0.001 0.000 0.216 397 A C 2.193 179.746 177.584 -0.052 0.000 1.181 397 A CA 1.222 53.263 52.037 0.007 0.000 0.620 397 A CB -0.353 18.659 19.000 0.020 0.000 0.819 397 A HN 0.432 nan 8.150 nan 0.000 0.442 398 Q N -1.851 117.875 119.800 -0.122 0.000 2.084 398 Q HA -0.223 4.117 4.340 0.001 0.000 0.202 398 Q C 1.982 177.847 176.000 -0.225 0.000 0.978 398 Q CA 1.834 57.523 55.803 -0.190 0.000 0.844 398 Q CB -0.401 28.175 28.738 -0.269 0.000 0.898 398 Q HN 0.849 nan 8.270 nan 0.000 0.426 399 Y N 1.268 121.304 120.300 -0.441 0.000 2.274 399 Y HA -0.183 4.368 4.550 0.001 0.000 0.290 399 Y C 2.013 177.833 175.900 -0.133 0.000 1.145 399 Y CA 1.378 59.284 58.100 -0.323 0.000 1.203 399 Y CB 0.046 38.313 38.460 -0.322 0.000 0.984 399 Y HN -0.089 nan 8.280 nan 0.000 0.533 400 R N 0.091 120.455 120.500 -0.227 0.000 2.057 400 R HA -0.166 4.175 4.340 0.001 0.000 0.229 400 R C 2.334 178.537 176.300 -0.163 0.000 1.136 400 R CA 1.569 57.526 56.100 -0.238 0.000 0.952 400 R CB -0.397 29.859 30.300 -0.073 0.000 0.848 400 R HN 0.496 nan 8.270 nan 0.000 0.430 401 E N 0.556 120.713 120.200 -0.071 0.000 2.097 401 E HA -0.189 4.162 4.350 0.001 0.000 0.196 401 E C 1.796 178.466 176.600 0.116 0.000 1.000 401 E CA 1.579 58.004 56.400 0.041 0.000 0.804 401 E CB 0.009 29.744 29.700 0.058 0.000 0.740 401 E HN 0.066 nan 8.360 nan 0.000 0.454 402 V N 1.165 121.067 119.914 -0.021 0.000 2.270 402 V HA -0.216 3.905 4.120 0.001 0.000 0.245 402 V C 2.358 178.448 176.094 -0.008 0.000 1.043 402 V CA 1.810 64.103 62.300 -0.011 0.000 1.014 402 V CB -0.765 30.999 31.823 -0.098 0.000 0.645 402 V HN 0.514 nan 8.190 nan 0.000 0.447 403 A N -0.769 121.939 122.820 -0.186 0.000 2.277 403 A HA 0.217 4.538 4.320 0.001 0.000 0.208 403 A C 2.004 179.545 177.584 -0.073 0.000 1.202 403 A CA 1.455 53.380 52.037 -0.185 0.000 0.762 403 A CB -0.456 18.300 19.000 -0.406 0.000 0.770 403 A HN 0.577 nan 8.150 nan 0.000 0.487 404 A N -2.057 120.768 122.820 0.008 0.000 2.108 404 A HA 0.419 4.740 4.320 0.001 0.000 0.206 404 A C 1.481 179.137 177.584 0.120 0.000 1.212 404 A CA 0.164 52.222 52.037 0.035 0.000 0.843 404 A CB -0.225 18.774 19.000 -0.001 0.000 0.902 404 A HN 0.374 nan 8.150 nan 0.000 0.477 405 F N 0.446 120.454 119.950 0.096 0.000 2.407 405 F HA 0.065 4.593 4.527 0.001 0.000 0.299 405 F C 2.553 178.323 175.800 -0.050 0.000 1.097 405 F CA 1.005 59.136 58.000 0.218 0.000 1.422 405 F CB 0.115 39.191 39.000 0.126 0.000 1.067 405 F HN 0.276 nan 8.300 nan 0.000 0.539 406 A N -0.740 122.131 122.820 0.085 0.000 1.930 406 A HA -0.127 4.194 4.320 0.001 0.000 0.215 406 A C 2.182 179.713 177.584 -0.088 0.000 1.176 406 A CA 0.821 52.822 52.037 -0.058 0.000 0.632 406 A CB -0.437 18.543 19.000 -0.033 0.000 0.819 406 A HN 0.210 nan 8.150 nan 0.000 0.445 407 Q N -0.409 119.393 119.800 0.004 0.000 2.112 407 Q HA -0.208 4.133 4.340 0.001 0.000 0.206 407 Q C 1.501 177.535 176.000 0.057 0.000 0.987 407 Q CA 1.786 57.608 55.803 0.030 0.000 0.858 407 Q CB -0.572 28.198 28.738 0.054 0.000 0.905 407 Q HN 0.922 nan 8.270 nan 0.000 0.420 408 F N -0.626 119.296 119.950 -0.046 0.000 2.697 408 F HA 0.474 5.001 4.527 0.000 0.000 0.297 408 F C 0.712 176.500 175.800 -0.020 0.000 1.203 408 F CA 0.136 58.109 58.000 -0.045 0.000 1.421 408 F CB -0.429 38.524 39.000 -0.078 0.000 1.033 408 F HN 0.023 nan 8.300 nan 0.000 0.512 409 G N 1.410 110.078 108.800 -0.219 0.000 2.540 409 G HA2 0.004 3.965 3.960 0.001 0.000 0.260 409 G HA3 0.004 3.965 3.960 0.001 0.000 0.260 409 G C -0.434 174.310 174.900 -0.259 0.000 0.993 409 G CA 0.179 45.173 45.100 -0.176 0.000 1.327 409 G HN 0.949 nan 8.290 nan 0.000 0.485 410 S N 1.084 116.618 115.700 -0.276 0.000 2.563 410 S HA 0.510 4.981 4.470 0.001 0.000 0.279 410 S C -0.708 173.803 174.600 -0.147 0.000 1.155 410 S CA -0.090 57.974 58.200 -0.227 0.000 0.928 410 S CB 1.131 64.129 63.200 -0.337 0.000 1.107 410 S HN 1.057 nan 8.310 nan 0.000 0.462 411 D N 5.296 125.641 120.400 -0.092 0.000 2.277 411 D HA 0.397 5.038 4.640 0.001 0.000 0.249 411 D C 0.284 176.550 176.300 -0.056 0.000 1.134 411 D CA -0.291 53.671 54.000 -0.063 0.000 0.863 411 D CB 0.712 41.486 40.800 -0.044 0.000 1.143 411 D HN 0.432 nan 8.370 nan 0.000 0.458 412 L N 1.116 122.309 121.223 -0.049 0.000 2.585 412 L HA 0.357 4.698 4.340 0.001 0.000 0.260 412 L C 0.695 177.546 176.870 -0.032 0.000 1.085 412 L CA -1.141 53.673 54.840 -0.043 0.000 0.913 412 L CB 0.333 42.363 42.059 -0.049 0.000 1.638 412 L HN 0.439 nan 8.230 nan 0.000 0.531 413 D N -0.718 119.663 120.400 -0.031 0.000 2.478 413 D HA 0.361 5.002 4.640 0.001 0.000 0.269 413 D C 0.750 177.038 176.300 -0.021 0.000 1.232 413 D CA -0.062 53.923 54.000 -0.025 0.000 1.059 413 D CB 0.540 41.325 40.800 -0.025 0.000 1.104 413 D HN 0.525 nan 8.370 nan 0.000 0.566 414 A N 0.061 122.871 122.820 -0.017 0.000 1.835 414 A HA -0.176 4.145 4.320 0.001 0.000 0.215 414 A C 2.161 179.740 177.584 -0.008 0.000 1.199 414 A CA 2.147 54.176 52.037 -0.013 0.000 0.615 414 A CB -1.370 17.622 19.000 -0.013 0.000 0.838 414 A HN 0.497 nan 8.150 nan 0.000 0.444 415 S N -0.086 115.608 115.700 -0.010 0.000 2.387 415 S HA -0.190 4.281 4.470 0.001 0.000 0.230 415 S C 2.114 176.716 174.600 0.002 0.000 1.035 415 S CA 2.079 60.278 58.200 -0.002 0.000 1.014 415 S CB -0.855 62.341 63.200 -0.007 0.000 0.836 415 S HN 0.892 nan 8.310 nan 0.000 0.466 416 T N 1.761 116.304 114.554 -0.017 0.000 2.857 416 T HA -0.063 4.287 4.350 0.001 0.000 0.266 416 T C 1.630 176.326 174.700 -0.007 0.000 1.048 416 T CA 1.270 63.352 62.100 -0.029 0.000 1.139 416 T CB -0.376 68.455 68.868 -0.061 0.000 0.874 416 T HN 0.683 nan 8.240 nan 0.000 0.455 417 K N 0.975 121.374 120.400 -0.001 0.000 2.365 417 K HA 0.113 4.434 4.320 0.001 0.000 0.197 417 K C 2.388 179.007 176.600 0.031 0.000 1.042 417 K CA 0.451 56.746 56.287 0.012 0.000 0.987 417 K CB -0.098 32.401 32.500 -0.000 0.000 0.779 417 K HN 0.431 nan 8.250 nan 0.000 0.484 418 Q N 1.387 121.206 119.800 0.032 0.000 2.083 418 Q HA -0.124 4.217 4.340 0.001 0.000 0.198 418 Q C 1.746 177.809 176.000 0.106 0.000 0.969 418 Q CA 2.047 57.877 55.803 0.044 0.000 0.838 418 Q CB -0.060 28.693 28.738 0.026 0.000 0.900 418 Q HN 0.565 nan 8.270 nan 0.000 0.436 419 T N -0.945 113.693 114.554 0.140 0.000 3.023 419 T HA -0.092 4.259 4.350 0.001 0.000 0.266 419 T C 1.751 176.581 174.700 0.216 0.000 1.093 419 T CA 0.651 62.901 62.100 0.250 0.000 1.129 419 T CB -0.144 68.800 68.868 0.128 0.000 0.899 419 T HN 0.213 nan 8.240 nan 0.000 0.491 420 L N 1.072 122.386 121.223 0.151 0.000 2.141 420 L HA 0.185 4.526 4.340 0.001 0.000 0.209 420 L C 2.456 179.445 176.870 0.198 0.000 1.094 420 L CA 1.080 56.038 54.840 0.197 0.000 0.763 420 L CB -0.509 41.606 42.059 0.094 0.000 0.908 420 L HN 0.167 nan 8.230 nan 0.000 0.437 421 V N -0.716 119.269 119.914 0.118 0.000 2.446 421 V HA -0.146 3.975 4.120 0.001 0.000 0.244 421 V C 2.695 178.808 176.094 0.033 0.000 1.039 421 V CA 1.617 63.953 62.300 0.060 0.000 1.045 421 V CB -0.488 31.347 31.823 0.021 0.000 0.681 421 V HN 0.429 nan 8.190 nan 0.000 0.459 422 R N 0.314 120.862 120.500 0.081 0.000 2.070 422 R HA -0.131 4.210 4.340 0.001 0.000 0.233 422 R C 2.307 178.623 176.300 0.027 0.000 1.137 422 R CA 1.806 57.931 56.100 0.041 0.000 0.945 422 R CB -0.771 29.564 30.300 0.057 0.000 0.845 422 R HN 0.533 nan 8.270 nan 0.000 0.430 423 G N -0.041 108.820 108.800 0.102 0.000 2.443 423 G HA2 -0.250 3.711 3.960 0.001 0.000 0.219 423 G HA3 -0.250 3.711 3.960 0.001 0.000 0.219 423 G C 1.198 175.485 174.900 -1.021 0.000 1.131 423 G CA 0.444 45.295 45.100 -0.416 0.000 0.775 423 G HN 0.434 nan 8.290 nan 0.000 0.547 424 E N -0.196 119.657 120.200 -0.579 0.000 2.152 424 E HA -0.012 4.339 4.350 0.001 0.000 0.192 424 E C 2.647 179.146 176.600 -0.167 0.000 0.983 424 E CA 0.366 56.607 56.400 -0.265 0.000 0.818 424 E CB 0.075 29.796 29.700 0.036 0.000 0.758 424 E HN 0.356 nan 8.360 nan 0.000 0.467 425 R N -0.412 119.997 120.500 -0.152 0.000 2.156 425 R HA 0.099 4.440 4.340 0.001 0.000 0.207 425 R C 2.375 178.606 176.300 -0.116 0.000 1.040 425 R CA 0.206 56.235 56.100 -0.117 0.000 1.013 425 R CB 0.062 30.288 30.300 -0.124 0.000 0.931 425 R HN 0.144 nan 8.270 nan 0.000 0.465 426 L N 0.205 121.349 121.223 -0.132 0.000 2.046 426 L HA -0.189 4.152 4.340 0.001 0.000 0.208 426 L C 2.150 178.976 176.870 -0.072 0.000 1.077 426 L CA 1.456 56.240 54.840 -0.093 0.000 0.747 426 L CB -0.630 41.387 42.059 -0.070 0.000 0.896 426 L HN 0.231 nan 8.230 nan 0.000 0.432 427 T N -1.269 113.214 114.554 -0.119 0.000 2.635 427 T HA -0.321 4.030 4.350 0.001 0.000 0.267 427 T C 1.829 176.510 174.700 -0.030 0.000 1.040 427 T CA 1.689 63.749 62.100 -0.066 0.000 1.156 427 T CB -0.241 68.579 68.868 -0.080 0.000 0.863 427 T HN 0.195 nan 8.240 nan 0.000 0.430 428 Q N 0.409 120.185 119.800 -0.040 0.000 2.181 428 Q HA -0.030 4.310 4.340 0.001 0.000 0.205 428 Q C 2.045 178.044 176.000 -0.002 0.000 0.980 428 Q CA 1.019 56.812 55.803 -0.018 0.000 0.862 428 Q CB -0.575 28.149 28.738 -0.024 0.000 0.905 428 Q HN 0.457 nan 8.270 nan 0.000 0.429 429 L N -0.750 120.469 121.223 -0.007 0.000 2.141 429 L HA -0.011 4.330 4.340 0.001 0.000 0.209 429 L C 1.441 178.332 176.870 0.034 0.000 1.094 429 L CA 1.439 56.294 54.840 0.025 0.000 0.763 429 L CB -0.069 41.998 42.059 0.014 0.000 0.908 429 L HN 0.287 nan 8.230 nan 0.000 0.437 430 L N -0.645 120.589 121.223 0.019 0.000 2.591 430 L HA 0.041 4.382 4.340 0.001 0.000 0.228 430 L C 0.823 177.703 176.870 0.016 0.000 1.133 430 L CA -0.046 54.808 54.840 0.023 0.000 0.880 430 L CB -0.480 41.593 42.059 0.023 0.000 1.033 430 L HN 0.104 nan 8.230 nan 0.000 0.450 431 K N 1.379 121.784 120.400 0.009 0.000 2.258 431 K HA 0.253 4.574 4.320 0.001 0.000 0.264 431 K C -0.175 176.426 176.600 0.002 0.000 1.007 431 K CA 0.084 56.368 56.287 -0.005 0.000 0.941 431 K CB 0.926 33.418 32.500 -0.013 0.000 0.966 431 K HN -0.020 nan 8.250 nan 0.000 0.480 432 Q N 2.185 121.977 119.800 -0.013 0.000 2.364 432 Q HA 0.108 4.448 4.340 0.001 0.000 0.251 432 Q C -1.345 174.644 176.000 -0.019 0.000 0.927 432 Q CA -0.652 55.148 55.803 -0.005 0.000 0.924 432 Q CB 1.196 29.935 28.738 0.002 0.000 1.419 432 Q HN 0.507 nan 8.270 nan 0.000 0.427 433 N N 2.516 121.213 118.700 -0.005 0.000 2.292 433 N HA -0.083 4.658 4.740 0.001 0.000 0.242 433 N C -0.433 175.060 175.510 -0.029 0.000 1.243 433 N CA 0.558 53.607 53.050 -0.001 0.000 0.851 433 N CB 0.619 39.128 38.487 0.036 0.000 1.093 433 N HN 0.607 nan 8.380 nan 0.000 0.450 434 Q N 0.820 120.576 119.800 -0.074 0.000 2.417 434 Q HA -0.010 4.331 4.340 0.001 0.000 0.241 434 Q C -0.226 175.676 176.000 -0.164 0.000 1.008 434 Q CA -0.245 55.395 55.803 -0.272 0.000 0.901 434 Q CB 0.281 28.727 28.738 -0.487 0.000 1.259 434 Q HN 0.595 nan 8.270 nan 0.000 0.489 435 Y N -0.507 119.782 120.300 -0.018 0.000 3.617 435 Y HA -0.269 4.282 4.550 0.001 0.000 0.215 435 Y C -0.157 175.765 175.900 0.036 0.000 1.178 435 Y CA 0.765 58.839 58.100 -0.043 0.000 1.517 435 Y CB -2.217 36.245 38.460 0.003 0.000 1.457 435 Y HN 0.316 nan 8.280 nan 0.000 0.615 436 S N 0.135 115.891 115.700 0.094 0.000 2.300 436 S HA 0.254 4.725 4.470 0.001 0.000 0.172 436 S C -2.356 172.267 174.600 0.038 0.000 1.484 436 S CA -0.913 57.336 58.200 0.082 0.000 1.265 436 S CB 1.159 64.401 63.200 0.070 0.000 1.313 436 S HN 0.119 nan 8.310 nan 0.000 0.387 437 P HA 0.274 nan 4.420 nan 0.000 0.275 437 P C -0.673 176.637 177.300 0.016 0.000 1.228 437 P CA -0.345 62.767 63.100 0.021 0.000 0.786 437 P CB 0.958 32.673 31.700 0.025 0.000 0.927 438 L N 1.692 122.925 121.223 0.017 0.000 2.325 438 L HA 0.560 4.900 4.340 0.001 0.000 0.278 438 L C 0.772 177.647 176.870 0.008 0.000 1.023 438 L CA -1.121 53.723 54.840 0.006 0.000 0.811 438 L CB 1.768 43.835 42.059 0.014 0.000 1.249 438 L HN 0.417 nan 8.230 nan 0.000 0.431 439 A N 1.894 124.700 122.820 -0.022 0.000 2.386 439 A HA 0.257 4.577 4.320 0.001 0.000 0.248 439 A C 1.215 178.810 177.584 0.018 0.000 1.082 439 A CA -0.113 51.912 52.037 -0.019 0.000 0.789 439 A CB 0.447 19.400 19.000 -0.078 0.000 1.025 439 A HN 0.881 nan 8.150 nan 0.000 0.490 440 T N 1.098 115.690 114.554 0.062 0.000 2.665 440 T HA -0.186 4.165 4.350 0.001 0.000 0.268 440 T C 1.741 176.452 174.700 0.018 0.000 1.035 440 T CA 1.928 64.061 62.100 0.055 0.000 1.151 440 T CB -0.253 68.662 68.868 0.079 0.000 0.862 440 T HN 0.896 nan 8.240 nan 0.000 0.438 441 E N 1.699 121.897 120.200 -0.003 0.000 2.338 441 E HA -0.177 4.173 4.350 0.001 0.000 0.197 441 E C 1.516 178.077 176.600 -0.064 0.000 1.007 441 E CA 1.097 57.475 56.400 -0.036 0.000 0.849 441 E CB -0.252 29.419 29.700 -0.049 0.000 0.774 441 E HN 0.620 nan 8.360 nan 0.000 0.506 442 E N 0.636 120.803 120.200 -0.055 0.000 2.140 442 E HA -0.043 4.307 4.350 0.001 0.000 0.191 442 E C 2.207 178.791 176.600 -0.027 0.000 0.973 442 E CA 0.422 56.779 56.400 -0.071 0.000 0.829 442 E CB 0.051 29.713 29.700 -0.063 0.000 0.781 442 E HN 0.332 nan 8.360 nan 0.000 0.466 443 Q N 0.528 120.332 119.800 0.007 0.000 2.046 443 Q HA -0.109 4.231 4.340 0.001 0.000 0.200 443 Q C 2.416 178.454 176.000 0.062 0.000 0.975 443 Q CA 1.175 57.002 55.803 0.040 0.000 0.836 443 Q CB 0.027 28.791 28.738 0.042 0.000 0.896 443 Q HN 0.109 nan 8.270 nan 0.000 0.428 444 V N 1.596 121.538 119.914 0.047 0.000 2.282 444 V HA -0.240 3.881 4.120 0.001 0.000 0.249 444 V C -0.832 175.334 176.094 0.119 0.000 1.057 444 V CA 2.195 64.536 62.300 0.067 0.000 1.032 444 V CB -1.623 30.217 31.823 0.029 0.000 0.645 444 V HN 0.270 nan 8.190 nan 0.000 0.447 445 P HA -0.152 nan 4.420 nan 0.000 0.214 445 P C 1.969 179.503 177.300 0.391 0.000 1.163 445 P CA 1.537 64.747 63.100 0.183 0.000 0.883 445 P CB -0.124 31.533 31.700 -0.071 0.000 0.788 446 L N -1.432 119.974 121.223 0.305 0.000 2.042 446 L HA -0.181 4.160 4.340 0.001 0.000 0.210 446 L C 2.382 179.401 176.870 0.249 0.000 1.076 446 L CA 1.299 56.350 54.840 0.352 0.000 0.749 446 L CB -1.003 41.202 42.059 0.243 0.000 0.893 446 L HN -0.038 nan 8.230 nan 0.000 0.432 447 I N -0.865 119.817 120.570 0.187 0.000 2.163 447 I HA -0.311 3.860 4.170 0.001 0.000 0.240 447 I C 2.576 178.777 176.117 0.140 0.000 1.081 447 I CA 1.623 62.999 61.300 0.127 0.000 1.353 447 I CB -1.199 36.862 38.000 0.102 0.000 1.054 447 I HN 0.226 nan 8.210 nan 0.000 0.407 448 Y N 2.386 122.741 120.300 0.092 0.000 2.069 448 Y HA -0.341 4.210 4.550 0.001 0.000 0.278 448 Y C 2.672 178.650 175.900 0.130 0.000 1.175 448 Y CA 2.291 60.448 58.100 0.094 0.000 1.134 448 Y CB -0.496 38.023 38.460 0.099 0.000 0.965 448 Y HN 0.150 nan 8.280 nan 0.000 0.498 449 A N 0.035 122.994 122.820 0.231 0.000 1.948 449 A HA -0.176 4.145 4.320 0.001 0.000 0.220 449 A C 2.462 180.055 177.584 0.015 0.000 1.177 449 A CA 2.040 54.165 52.037 0.146 0.000 0.636 449 A CB -1.733 17.400 19.000 0.222 0.000 0.815 449 A HN 0.652 nan 8.150 nan 0.000 0.449 450 G N -0.664 108.123 108.800 -0.021 0.000 2.454 450 G HA2 -0.048 3.912 3.960 0.001 0.000 0.214 450 G HA3 -0.048 3.912 3.960 0.001 0.000 0.214 450 G C 1.464 176.252 174.900 -0.186 0.000 1.217 450 G CA 1.253 46.289 45.100 -0.107 0.000 0.799 450 G HN 0.403 nan 8.290 nan 0.000 0.538 451 V N 1.735 121.532 119.914 -0.195 0.000 2.594 451 V HA -0.140 3.981 4.120 0.001 0.000 0.253 451 V C 1.978 177.880 176.094 -0.320 0.000 1.069 451 V CA 1.537 63.668 62.300 -0.282 0.000 1.082 451 V CB -0.479 31.215 31.823 -0.214 0.000 0.680 451 V HN 0.355 nan 8.190 nan 0.000 0.469 452 N N 0.056 118.556 118.700 -0.333 0.000 2.336 452 N HA 0.150 4.891 4.740 0.001 0.000 0.189 452 N C 1.559 176.763 175.510 -0.510 0.000 1.113 452 N CA 0.992 53.804 53.050 -0.398 0.000 0.858 452 N CB 1.183 39.377 38.487 -0.488 0.000 0.970 452 N HN 0.630 nan 8.380 nan 0.000 0.471 453 G N 0.616 109.170 108.800 -0.410 0.000 2.195 453 G HA2 -0.262 3.699 3.960 0.001 0.000 0.224 453 G HA3 -0.262 3.699 3.960 0.001 0.000 0.224 453 G C 0.535 175.222 174.900 -0.354 0.000 0.990 453 G CA 0.041 44.916 45.100 -0.375 0.000 0.639 453 G HN 0.494 nan 8.290 nan 0.000 0.514 454 H N 0.053 119.013 119.070 -0.184 0.000 2.561 454 H HA 0.344 4.901 4.556 0.001 0.000 0.278 454 H C 2.461 177.657 175.328 -0.221 0.000 1.014 454 H CA 1.205 57.159 56.048 -0.157 0.000 1.211 454 H CB 0.076 29.770 29.762 -0.114 0.000 1.365 454 H HN 0.446 nan 8.280 nan 0.000 0.594 455 L N -0.300 120.808 121.223 -0.192 0.000 2.556 455 L HA 0.008 4.349 4.340 0.001 0.000 0.226 455 L C 1.140 177.882 176.870 -0.214 0.000 1.089 455 L CA 0.054 54.709 54.840 -0.308 0.000 0.864 455 L CB 0.278 42.119 42.059 -0.363 0.000 1.067 455 L HN 0.153 nan 8.230 nan 0.000 0.477 456 D N 0.739 121.038 120.400 -0.167 0.000 2.182 456 D HA -0.162 4.479 4.640 0.001 0.000 0.201 456 D C 2.105 178.344 176.300 -0.100 0.000 0.986 456 D CA 1.433 55.359 54.000 -0.123 0.000 0.847 456 D CB -0.255 40.475 40.800 -0.116 0.000 0.942 456 D HN 0.307 nan 8.370 nan 0.000 0.467 457 G N -0.308 108.431 108.800 -0.103 0.000 2.650 457 G HA2 0.027 3.987 3.960 0.001 0.000 0.214 457 G HA3 0.027 3.987 3.960 0.001 0.000 0.214 457 G C 0.637 175.491 174.900 -0.077 0.000 1.136 457 G CA -0.112 44.941 45.100 -0.078 0.000 0.789 457 G HN 0.210 nan 8.290 nan 0.000 0.536 458 I N 0.609 121.115 120.570 -0.108 0.000 2.353 458 I HA 0.186 4.357 4.170 0.001 0.000 0.293 458 I C 0.355 176.426 176.117 -0.076 0.000 0.992 458 I CA -0.646 60.595 61.300 -0.098 0.000 1.268 458 I CB 1.900 39.802 38.000 -0.164 0.000 1.387 458 I HN 0.001 nan 8.210 nan 0.000 0.478 459 E N 4.360 124.534 120.200 -0.043 0.000 2.414 459 E HA -0.054 4.297 4.350 0.001 0.000 0.263 459 E C 0.866 177.451 176.600 -0.025 0.000 1.000 459 E CA -0.278 56.106 56.400 -0.027 0.000 0.914 459 E CB 0.877 30.570 29.700 -0.013 0.000 0.948 459 E HN 0.530 nan 8.360 nan 0.000 0.444 460 L N 4.186 125.396 121.223 -0.021 0.000 2.013 460 L HA -0.220 4.121 4.340 0.001 0.000 0.212 460 L C 1.914 178.782 176.870 -0.003 0.000 1.073 460 L CA 2.393 57.222 54.840 -0.019 0.000 0.753 460 L CB -0.427 41.627 42.059 -0.009 0.000 0.890 460 L HN 0.620 nan 8.230 nan 0.000 0.432 461 S N -1.347 114.357 115.700 0.006 0.000 2.803 461 S HA 0.037 4.508 4.470 0.001 0.000 0.226 461 S C 1.512 176.130 174.600 0.029 0.000 0.962 461 S CA 0.144 58.354 58.200 0.017 0.000 0.968 461 S CB -0.492 62.718 63.200 0.016 0.000 0.786 461 S HN 0.502 nan 8.310 nan 0.000 0.527 462 R N -0.319 120.202 120.500 0.034 0.000 2.509 462 R HA 0.365 4.705 4.340 0.001 0.000 0.297 462 R C 0.843 177.210 176.300 0.110 0.000 0.951 462 R CA -0.215 55.925 56.100 0.067 0.000 1.103 462 R CB 0.188 30.525 30.300 0.062 0.000 1.283 462 R HN 0.329 nan 8.270 nan 0.000 0.534 463 I N 0.332 120.944 120.570 0.071 0.000 2.286 463 I HA -0.118 4.053 4.170 0.001 0.000 0.248 463 I C 2.304 178.531 176.117 0.185 0.000 1.115 463 I CA 1.597 62.950 61.300 0.089 0.000 1.392 463 I CB -1.270 36.729 38.000 -0.002 0.000 1.065 463 I HN 0.203 nan 8.210 nan 0.000 0.418 464 G N 1.829 110.705 108.800 0.127 0.000 2.480 464 G HA2 -0.317 3.644 3.960 0.001 0.000 0.216 464 G HA3 -0.317 3.644 3.960 0.001 0.000 0.216 464 G C 1.465 176.456 174.900 0.153 0.000 1.200 464 G CA 1.152 46.326 45.100 0.123 0.000 0.782 464 G HN 0.591 nan 8.290 nan 0.000 0.554 465 E N -0.417 119.872 120.200 0.149 0.000 2.265 465 E HA -0.088 4.263 4.350 0.001 0.000 0.196 465 E C 1.990 178.721 176.600 0.219 0.000 0.996 465 E CA 0.927 57.418 56.400 0.150 0.000 0.832 465 E CB -0.476 29.297 29.700 0.122 0.000 0.756 465 E HN 0.439 nan 8.360 nan 0.000 0.491 466 F N 1.789 121.820 119.950 0.134 0.000 2.113 466 F HA -0.085 4.442 4.527 0.001 0.000 0.297 466 F C 2.213 178.133 175.800 0.201 0.000 1.103 466 F CA 1.924 60.050 58.000 0.210 0.000 1.248 466 F CB -0.289 38.804 39.000 0.154 0.000 0.999 466 F HN 0.140 nan 8.300 nan 0.000 0.475 467 E N 0.378 120.778 120.200 0.332 0.000 2.033 467 E HA -0.295 4.056 4.350 0.001 0.000 0.199 467 E C 2.270 178.885 176.600 0.025 0.000 1.011 467 E CA 2.428 58.955 56.400 0.211 0.000 0.815 467 E CB -0.493 29.334 29.700 0.213 0.000 0.755 467 E HN 0.499 nan 8.360 nan 0.000 0.451 468 S N -0.333 115.389 115.700 0.036 0.000 2.383 468 S HA -0.087 4.384 4.470 0.001 0.000 0.227 468 S C 2.226 176.804 174.600 -0.037 0.000 1.026 468 S CA 1.255 59.454 58.200 -0.003 0.000 0.981 468 S CB -0.245 62.970 63.200 0.025 0.000 0.818 468 S HN 0.232 nan 8.310 nan 0.000 0.472 469 S N 1.419 117.113 115.700 -0.010 0.000 2.356 469 S HA 0.027 4.498 4.470 0.001 0.000 0.223 469 S C 1.395 175.873 174.600 -0.205 0.000 1.032 469 S CA 1.236 59.451 58.200 0.026 0.000 1.005 469 S CB -0.697 62.643 63.200 0.234 0.000 0.867 469 S HN 0.587 nan 8.310 nan 0.000 0.449 470 F N 2.597 122.038 119.950 -0.848 0.000 2.126 470 F HA -0.054 4.474 4.527 0.001 0.000 0.299 470 F C 1.773 177.256 175.800 -0.527 0.000 1.096 470 F CA 0.955 58.165 58.000 -1.316 0.000 1.255 470 F CB -0.777 37.321 39.000 -1.504 0.000 0.997 470 F HN 0.101 nan 8.300 nan 0.000 0.479 471 L N -0.709 120.259 121.223 -0.425 0.000 1.989 471 L HA -0.274 4.066 4.340 0.001 0.000 0.211 471 L C 2.564 179.283 176.870 -0.252 0.000 1.071 471 L CA 1.784 56.408 54.840 -0.359 0.000 0.749 471 L CB -1.168 40.773 42.059 -0.197 0.000 0.890 471 L HN 0.022 nan 8.230 nan 0.000 0.431 472 S N -1.369 114.243 115.700 -0.146 0.000 2.399 472 S HA -0.221 4.250 4.470 0.001 0.000 0.231 472 S C 1.825 176.401 174.600 -0.040 0.000 1.022 472 S CA 1.089 59.244 58.200 -0.075 0.000 0.983 472 S CB -0.400 62.789 63.200 -0.018 0.000 0.803 472 S HN 0.411 nan 8.310 nan 0.000 0.480 473 Y N 2.199 122.402 120.300 -0.162 0.000 2.181 473 Y HA -0.036 4.515 4.550 0.002 0.000 0.288 473 Y C 1.725 177.567 175.900 -0.097 0.000 1.146 473 Y CA 1.191 59.242 58.100 -0.082 0.000 1.164 473 Y CB -0.373 38.059 38.460 -0.045 0.000 0.982 473 Y HN 0.157 nan 8.280 nan 0.000 0.515 474 L N -0.234 120.794 121.223 -0.325 0.000 2.109 474 L HA -0.150 4.191 4.340 0.001 0.000 0.207 474 L C 2.420 179.128 176.870 -0.269 0.000 1.086 474 L CA 1.295 55.919 54.840 -0.359 0.000 0.760 474 L CB -0.498 41.309 42.059 -0.419 0.000 0.910 474 L HN 0.071 nan 8.230 nan 0.000 0.437 475 K N -0.280 119.987 120.400 -0.221 0.000 2.063 475 K HA -0.128 4.193 4.320 0.001 0.000 0.208 475 K C 2.307 178.812 176.600 -0.158 0.000 1.048 475 K CA 1.639 57.826 56.287 -0.166 0.000 0.928 475 K CB -0.054 32.366 32.500 -0.133 0.000 0.713 475 K HN 0.141 nan 8.250 nan 0.000 0.442 476 S N 0.548 116.149 115.700 -0.166 0.000 2.371 476 S HA -0.026 4.445 4.470 0.001 0.000 0.221 476 S C 1.438 175.906 174.600 -0.220 0.000 1.036 476 S CA 1.264 59.374 58.200 -0.151 0.000 0.965 476 S CB -0.112 63.028 63.200 -0.099 0.000 0.845 476 S HN 0.337 nan 8.310 nan 0.000 0.475 477 N N 0.198 118.683 118.700 -0.359 0.000 2.414 477 N HA 0.075 4.816 4.740 0.001 0.000 0.189 477 N C 0.515 175.656 175.510 -0.616 0.000 1.039 477 N CA 0.620 53.345 53.050 -0.542 0.000 0.889 477 N CB 0.008 38.006 38.487 -0.815 0.000 1.085 477 N HN 0.279 nan 8.380 nan 0.000 0.442 478 H N 0.635 119.496 119.070 -0.349 0.000 2.591 478 H HA 0.212 4.768 4.556 0.001 0.000 0.302 478 H C 0.372 175.577 175.328 -0.204 0.000 1.163 478 H CA -0.148 55.752 56.048 -0.248 0.000 1.049 478 H CB -0.307 29.305 29.762 -0.251 0.000 1.543 478 H HN 0.365 nan 8.280 nan 0.000 0.523 479 N N 1.189 119.810 118.700 -0.131 0.000 2.192 479 N HA -0.164 4.577 4.740 0.001 0.000 0.188 479 N C 1.309 176.772 175.510 -0.079 0.000 1.013 479 N CA 0.582 53.565 53.050 -0.111 0.000 0.863 479 N CB 0.398 38.817 38.487 -0.114 0.000 0.990 479 N HN 0.421 nan 8.380 nan 0.000 0.430 480 E N 0.867 121.029 120.200 -0.063 0.000 2.132 480 E HA -0.267 4.084 4.350 0.001 0.000 0.218 480 E C 2.015 178.589 176.600 -0.044 0.000 1.058 480 E CA 1.104 57.478 56.400 -0.043 0.000 0.882 480 E CB -0.404 29.284 29.700 -0.020 0.000 0.774 480 E HN 0.422 nan 8.360 nan 0.000 0.467 481 L N 0.275 121.471 121.223 -0.046 0.000 2.027 481 L HA -0.133 4.208 4.340 0.001 0.000 0.206 481 L C 2.654 179.479 176.870 -0.075 0.000 1.074 481 L CA 1.148 55.949 54.840 -0.064 0.000 0.745 481 L CB -0.937 41.071 42.059 -0.085 0.000 0.898 481 L HN 0.187 nan 8.230 nan 0.000 0.433 482 L N -1.181 119.988 121.223 -0.089 0.000 2.141 482 L HA -0.162 4.179 4.340 0.001 0.000 0.209 482 L C 2.446 179.275 176.870 -0.070 0.000 1.094 482 L CA 1.072 55.857 54.840 -0.092 0.000 0.763 482 L CB -1.082 40.906 42.059 -0.118 0.000 0.908 482 L HN 0.237 nan 8.230 nan 0.000 0.437 483 T N -0.850 113.665 114.554 -0.064 0.000 2.777 483 T HA -0.133 4.218 4.350 0.001 0.000 0.266 483 T C 1.853 176.530 174.700 -0.038 0.000 1.040 483 T CA 1.077 63.147 62.100 -0.051 0.000 1.141 483 T CB -0.070 68.768 68.868 -0.050 0.000 0.868 483 T HN 0.288 nan 8.240 nan 0.000 0.444 484 E N 0.715 120.892 120.200 -0.040 0.000 2.072 484 E HA -0.012 4.339 4.350 0.001 0.000 0.191 484 E C 2.276 178.860 176.600 -0.028 0.000 0.985 484 E CA 0.765 57.146 56.400 -0.032 0.000 0.801 484 E CB -0.255 29.424 29.700 -0.035 0.000 0.750 484 E HN 0.515 nan 8.360 nan 0.000 0.452 485 I N 0.712 121.260 120.570 -0.036 0.000 2.226 485 I HA -0.251 3.920 4.170 0.001 0.000 0.245 485 I C 2.777 178.889 176.117 -0.010 0.000 1.100 485 I CA 1.021 62.304 61.300 -0.028 0.000 1.374 485 I CB -0.266 37.710 38.000 -0.040 0.000 1.057 485 I HN -0.017 nan 8.210 nan 0.000 0.413 486 R N 0.898 121.392 120.500 -0.011 0.000 2.120 486 R HA -0.169 4.171 4.340 0.001 0.000 0.234 486 R C 2.048 178.360 176.300 0.021 0.000 1.123 486 R CA 1.475 57.581 56.100 0.011 0.000 0.975 486 R CB 0.008 30.303 30.300 -0.009 0.000 0.866 486 R HN 0.429 nan 8.270 nan 0.000 0.446 487 E N -0.376 119.827 120.200 0.004 0.000 2.042 487 E HA -0.060 4.291 4.350 0.001 0.000 0.189 487 E C 1.573 178.177 176.600 0.007 0.000 0.974 487 E CA 0.641 57.045 56.400 0.007 0.000 0.806 487 E CB 0.305 30.003 29.700 -0.004 0.000 0.769 487 E HN 0.095 nan 8.360 nan 0.000 0.451 488 K N -0.585 119.815 120.400 -0.000 0.000 2.400 488 K HA 0.076 4.397 4.320 0.001 0.000 0.194 488 K C 1.426 178.027 176.600 0.001 0.000 1.033 488 K CA 0.799 57.085 56.287 -0.001 0.000 1.021 488 K CB 0.792 33.287 32.500 -0.007 0.000 0.808 488 K HN 0.314 nan 8.250 nan 0.000 0.505 489 G N 1.661 110.463 108.800 0.004 0.000 2.382 489 G HA2 -0.357 3.604 3.960 0.001 0.000 0.259 489 G HA3 -0.357 3.604 3.960 0.001 0.000 0.259 489 G C 0.440 175.341 174.900 0.002 0.000 1.009 489 G CA 1.180 46.283 45.100 0.006 0.000 0.625 489 G HN 0.449 nan 8.290 nan 0.000 0.541 490 E N -0.983 119.216 120.200 -0.001 0.000 2.405 490 E HA 0.788 5.139 4.350 0.001 0.000 0.249 490 E C -0.396 176.199 176.600 -0.008 0.000 1.028 490 E CA -0.983 55.417 56.400 -0.001 0.000 0.897 490 E CB 0.885 30.585 29.700 0.000 0.000 1.262 490 E HN 0.174 nan 8.360 nan 0.000 0.442 491 L N 2.080 123.298 121.223 -0.008 0.000 2.377 491 L HA 0.294 4.635 4.340 0.001 0.000 0.270 491 L C -0.230 176.631 176.870 -0.015 0.000 0.991 491 L CA -0.739 54.089 54.840 -0.020 0.000 0.851 491 L CB 1.599 43.642 42.059 -0.027 0.000 1.218 491 L HN 0.484 nan 8.230 nan 0.000 0.420 492 S N 1.305 116.994 115.700 -0.018 0.000 2.584 492 S HA 0.150 4.620 4.470 0.001 0.000 0.270 492 S C 1.004 175.594 174.600 -0.017 0.000 1.346 492 S CA -0.470 57.722 58.200 -0.013 0.000 1.018 492 S CB 1.336 64.528 63.200 -0.013 0.000 0.899 492 S HN 0.579 nan 8.310 nan 0.000 0.542 493 K N 0.975 121.370 120.400 -0.007 0.000 2.281 493 K HA -0.068 4.252 4.320 0.001 0.000 0.203 493 K C 1.836 178.429 176.600 -0.013 0.000 1.046 493 K CA 1.498 57.783 56.287 -0.004 0.000 0.938 493 K CB -0.262 32.241 32.500 0.006 0.000 0.737 493 K HN 0.694 nan 8.250 nan 0.000 0.458 494 E N -0.279 119.911 120.200 -0.016 0.000 2.152 494 E HA -0.091 4.260 4.350 0.001 0.000 0.192 494 E C 1.289 177.866 176.600 -0.038 0.000 0.983 494 E CA 0.707 57.095 56.400 -0.020 0.000 0.818 494 E CB 0.017 29.707 29.700 -0.015 0.000 0.758 494 E HN 0.107 nan 8.360 nan 0.000 0.467 495 L N -0.308 120.884 121.223 -0.050 0.000 2.375 495 L HA 0.040 4.381 4.340 0.001 0.000 0.215 495 L C 1.772 178.563 176.870 -0.132 0.000 1.108 495 L CA 0.615 55.406 54.840 -0.082 0.000 0.830 495 L CB 0.037 42.051 42.059 -0.075 0.000 0.959 495 L HN 0.144 nan 8.230 nan 0.000 0.457 496 L N -1.287 119.871 121.223 -0.108 0.000 2.068 496 L HA -0.099 4.242 4.340 0.001 0.000 0.204 496 L C 2.672 179.478 176.870 -0.108 0.000 1.076 496 L CA 1.086 55.840 54.840 -0.143 0.000 0.753 496 L CB -0.653 41.384 42.059 -0.036 0.000 0.910 496 L HN 0.249 nan 8.230 nan 0.000 0.439 497 A N -0.665 122.129 122.820 -0.043 0.000 1.933 497 A HA -0.182 4.138 4.320 0.001 0.000 0.218 497 A C 2.482 180.045 177.584 -0.035 0.000 1.175 497 A CA 2.026 54.056 52.037 -0.012 0.000 0.628 497 A CB -0.549 18.452 19.000 0.002 0.000 0.814 497 A HN 0.362 nan 8.150 nan 0.000 0.444 498 S N -0.699 114.962 115.700 -0.065 0.000 2.382 498 S HA -0.105 4.366 4.470 0.001 0.000 0.228 498 S C 1.823 176.340 174.600 -0.139 0.000 1.027 498 S CA 1.392 59.542 58.200 -0.083 0.000 0.991 498 S CB -0.317 62.837 63.200 -0.076 0.000 0.823 498 S HN 0.436 nan 8.310 nan 0.000 0.469 499 L N 1.878 122.985 121.223 -0.194 0.000 2.072 499 L HA 0.090 4.430 4.340 0.001 0.000 0.205 499 L C 2.163 178.946 176.870 -0.146 0.000 1.079 499 L CA 1.725 56.406 54.840 -0.264 0.000 0.752 499 L CB -0.538 41.197 42.059 -0.539 0.000 0.906 499 L HN 0.125 nan 8.230 nan 0.000 0.436 500 K N -1.419 118.941 120.400 -0.068 0.000 2.063 500 K HA -0.197 4.124 4.320 0.001 0.000 0.208 500 K C 2.340 178.975 176.600 0.059 0.000 1.048 500 K CA 1.632 58.008 56.287 0.148 0.000 0.928 500 K CB -0.275 32.351 32.500 0.211 0.000 0.713 500 K HN 0.322 nan 8.250 nan 0.000 0.442 501 S N -0.581 115.130 115.700 0.019 0.000 2.423 501 S HA -0.057 4.414 4.470 0.001 0.000 0.231 501 S C 1.740 176.343 174.600 0.004 0.000 1.014 501 S CA 1.036 59.247 58.200 0.019 0.000 0.965 501 S CB -0.161 63.046 63.200 0.012 0.000 0.785 501 S HN 0.463 nan 8.310 nan 0.000 0.495 502 A N 0.637 123.416 122.820 -0.068 0.000 1.843 502 A HA 0.048 4.369 4.320 0.001 0.000 0.213 502 A C 2.350 180.035 177.584 0.168 0.000 1.202 502 A CA 1.856 53.834 52.037 -0.100 0.000 0.607 502 A CB -1.564 17.209 19.000 -0.378 0.000 0.847 502 A HN 0.522 nan 8.150 nan 0.000 0.445 503 T N 0.263 114.903 114.554 0.143 0.000 2.607 503 T HA -0.198 4.153 4.350 0.001 0.000 0.267 503 T C 1.759 176.446 174.700 -0.021 0.000 1.049 503 T CA 1.852 63.984 62.100 0.054 0.000 1.162 503 T CB -0.426 68.386 68.868 -0.093 0.000 0.863 503 T HN 0.598 nan 8.240 nan 0.000 0.424 504 E N 0.440 120.598 120.200 -0.070 0.000 2.171 504 E HA -0.151 4.199 4.350 0.001 0.000 0.197 504 E C 2.432 179.065 176.600 0.055 0.000 0.997 504 E CA 1.101 57.515 56.400 0.024 0.000 0.810 504 E CB -0.160 29.585 29.700 0.074 0.000 0.738 504 E HN 0.333 nan 8.360 nan 0.000 0.467 505 S N -0.195 115.558 115.700 0.090 0.000 2.355 505 S HA -0.145 4.326 4.470 0.001 0.000 0.222 505 S C 1.650 176.268 174.600 0.029 0.000 1.031 505 S CA 0.783 59.044 58.200 0.103 0.000 0.993 505 S CB -0.224 63.103 63.200 0.212 0.000 0.859 505 S HN 0.363 nan 8.310 nan 0.000 0.453 506 F N 2.208 122.073 119.950 -0.142 0.000 2.234 506 F HA -0.005 4.522 4.527 0.001 0.000 0.299 506 F C 1.927 177.614 175.800 -0.189 0.000 1.087 506 F CA 1.091 58.881 58.000 -0.350 0.000 1.340 506 F CB -0.400 38.364 39.000 -0.394 0.000 1.031 506 F HN 0.042 nan 8.300 nan 0.000 0.500 507 V N 0.710 120.584 119.914 -0.068 0.000 2.380 507 V HA -0.249 3.871 4.120 0.001 0.000 0.251 507 V C 1.867 177.862 176.094 -0.166 0.000 1.063 507 V CA 1.539 63.800 62.300 -0.064 0.000 1.055 507 V CB -1.767 30.083 31.823 0.045 0.000 0.657 507 V HN 0.426 nan 8.190 nan 0.000 0.455 508 A N 1.332 124.065 122.820 -0.144 0.000 3.091 508 A HA 0.413 4.734 4.320 0.001 0.000 0.264 508 A C 1.088 178.547 177.584 -0.208 0.000 1.673 508 A CA 0.275 52.230 52.037 -0.136 0.000 1.362 508 A CB -1.200 17.760 19.000 -0.066 0.000 1.137 508 A HN 0.634 nan 8.150 nan 0.000 0.617 509 T N 0.000 114.359 114.554 -0.325 0.000 3.816 509 T HA 0.000 4.351 4.350 0.001 0.000 0.228 509 T CA 0.000 61.856 62.100 -0.407 0.000 1.349 509 T CB 0.000 68.666 68.868 -0.336 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658