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 3oe7_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 0.000 175.485 175.510 -0.042 0.000 1.280 26 N CA 0.000 53.034 53.050 -0.026 0.000 0.885 26 N CB 0.000 38.474 38.487 -0.021 0.000 1.341 27 L N 1.281 122.464 121.223 -0.067 0.000 2.737 27 L HA 0.302 4.641 4.340 -0.002 0.000 0.236 27 L C 1.283 178.079 176.870 -0.122 0.000 1.219 27 L CA -0.141 54.633 54.840 -0.110 0.000 1.021 27 L CB -0.092 41.856 42.059 -0.186 0.000 1.291 27 L HN 0.297 nan 8.230 nan 0.000 0.470 28 N N 0.206 118.855 118.700 -0.086 0.000 2.220 28 N HA -0.085 4.654 4.740 -0.002 0.000 0.182 28 N C 1.556 177.023 175.510 -0.070 0.000 1.023 28 N CA 1.089 54.093 53.050 -0.077 0.000 0.856 28 N CB 0.224 38.678 38.487 -0.055 0.000 0.997 28 N HN 0.249 nan 8.380 nan 0.000 0.429 29 E N 0.021 120.185 120.200 -0.059 0.000 2.364 29 E HA 0.066 4.415 4.350 -0.002 0.000 0.196 29 E C 0.496 177.057 176.600 -0.065 0.000 0.990 29 E CA 0.391 56.760 56.400 -0.053 0.000 0.886 29 E CB 0.222 29.899 29.700 -0.038 0.000 0.866 29 E HN 0.424 nan 8.360 nan 0.000 0.493 30 T N -1.912 112.599 114.554 -0.072 0.000 2.916 30 T HA 0.765 5.114 4.350 -0.002 0.000 0.292 30 T C 0.291 174.933 174.700 -0.096 0.000 1.055 30 T CA -0.645 61.405 62.100 -0.083 0.000 1.009 30 T CB 2.525 71.355 68.868 -0.063 0.000 1.118 30 T HN 0.003 nan 8.240 nan 0.000 0.497 31 G N 0.346 109.082 108.800 -0.106 0.000 3.015 31 G HA2 0.732 4.691 3.960 -0.002 0.000 0.281 31 G HA3 0.732 4.691 3.960 -0.002 0.000 0.281 31 G C -1.465 173.412 174.900 -0.039 0.000 1.386 31 G CA -1.241 43.808 45.100 -0.085 0.000 0.959 31 G HN 0.796 nan 8.290 nan 0.000 0.522 32 R N -0.572 119.953 120.500 0.042 0.000 2.561 32 R HA 0.461 4.800 4.340 -0.002 0.000 0.297 32 R C -0.812 175.545 176.300 0.096 0.000 0.969 32 R CA -0.719 55.422 56.100 0.068 0.000 0.879 32 R CB 2.566 32.929 30.300 0.105 0.000 1.178 32 R HN 0.318 nan 8.270 nan 0.000 0.445 33 V N 5.352 125.318 119.914 0.087 0.000 2.509 33 V HA -0.088 4.031 4.120 -0.002 0.000 0.297 33 V C 1.406 177.556 176.094 0.094 0.000 1.014 33 V CA 0.782 63.155 62.300 0.122 0.000 1.127 33 V CB 0.269 32.197 31.823 0.174 0.000 0.925 33 V HN 0.766 nan 8.190 nan 0.000 0.480 34 L N 4.381 125.658 121.223 0.089 0.000 2.202 34 L HA 0.409 4.748 4.340 -0.002 0.000 0.205 34 L C 0.935 177.827 176.870 0.037 0.000 1.083 34 L CA 1.141 56.011 54.840 0.050 0.000 0.790 34 L CB 0.103 42.191 42.059 0.047 0.000 0.942 34 L HN 0.789 nan 8.230 nan 0.000 0.452 35 A N -0.963 121.887 122.820 0.050 0.000 2.589 35 A HA 0.639 4.958 4.320 -0.002 0.000 0.296 35 A C -1.757 175.852 177.584 0.042 0.000 1.062 35 A CA -0.376 51.682 52.037 0.035 0.000 0.686 35 A CB 1.900 20.913 19.000 0.021 0.000 1.282 35 A HN -0.219 nan 8.150 nan 0.000 0.404 36 V N 0.724 120.653 119.914 0.025 0.000 2.808 36 V HA 0.941 5.060 4.120 -0.002 0.000 0.308 36 V C -0.154 175.935 176.094 -0.008 0.000 1.099 36 V CA 0.804 63.110 62.300 0.011 0.000 0.920 36 V CB 1.992 33.822 31.823 0.011 0.000 1.014 36 V HN 2.325 nan 8.190 nan 0.000 0.425 37 G N 3.355 112.142 108.800 -0.021 0.000 2.473 37 G HA2 0.465 4.424 3.960 -0.002 0.000 0.298 37 G HA3 0.465 4.424 3.960 -0.002 0.000 0.298 37 G C -0.897 173.984 174.900 -0.031 0.000 1.575 37 G CA 0.044 45.130 45.100 -0.024 0.000 0.846 37 G HN 0.988 nan 8.290 nan 0.000 0.585 38 D N -0.160 120.222 120.400 -0.030 0.000 2.692 38 D HA -0.206 4.433 4.640 -0.002 0.000 0.233 38 D C 1.548 177.824 176.300 -0.041 0.000 1.172 38 D CA 2.211 56.193 54.000 -0.030 0.000 0.636 38 D CB -1.216 39.569 40.800 -0.025 0.000 1.028 38 D HN 2.285 nan 8.370 nan 0.000 0.419 39 G N -0.700 108.066 108.800 -0.057 0.000 2.168 39 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.257 39 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.257 39 G C 0.246 175.093 174.900 -0.089 0.000 0.997 39 G CA 0.527 45.578 45.100 -0.080 0.000 0.708 39 G HN 0.555 nan 8.290 nan 0.000 0.520 40 I N 0.119 120.650 120.570 -0.065 0.000 2.474 40 I HA 0.766 4.935 4.170 -0.002 0.000 0.294 40 I C 0.298 176.403 176.117 -0.019 0.000 1.005 40 I CA -1.182 60.091 61.300 -0.044 0.000 1.113 40 I CB 1.553 39.535 38.000 -0.029 0.000 1.289 40 I HN 0.386 nan 8.210 nan 0.000 0.436 41 A N 6.362 129.197 122.820 0.026 0.000 2.343 41 A HA 0.705 5.024 4.320 -0.002 0.000 0.308 41 A C -0.327 177.318 177.584 0.102 0.000 1.092 41 A CA -0.729 51.366 52.037 0.096 0.000 0.751 41 A CB 1.068 20.210 19.000 0.236 0.000 1.203 41 A HN 0.715 nan 8.150 nan 0.000 0.452 42 R N 1.262 121.811 120.500 0.083 0.000 2.221 42 R HA 0.541 4.880 4.340 -0.002 0.000 0.327 42 R C -1.118 175.241 176.300 0.099 0.000 1.033 42 R CA -0.155 55.991 56.100 0.076 0.000 0.887 42 R CB 1.384 31.717 30.300 0.056 0.000 1.057 42 R HN 0.469 nan 8.270 nan 0.000 0.455 43 V N 4.978 124.949 119.914 0.095 0.000 2.487 43 V HA 0.278 4.397 4.120 -0.002 0.000 0.298 43 V C -0.440 175.731 176.094 0.129 0.000 1.028 43 V CA -0.919 61.438 62.300 0.095 0.000 0.860 43 V CB 1.341 33.179 31.823 0.025 0.000 0.991 43 V HN 0.543 nan 8.190 nan 0.000 0.427 44 F N 4.073 124.018 119.950 -0.010 0.000 2.459 44 F HA 0.677 5.203 4.527 -0.002 0.000 0.346 44 F C 1.070 176.856 175.800 -0.024 0.000 1.128 44 F CA 1.548 59.540 58.000 -0.013 0.000 1.268 44 F CB 0.913 39.907 39.000 -0.009 0.000 1.161 44 F HN 0.945 nan 8.300 nan 0.000 0.583 45 G N 3.715 112.058 108.800 -0.762 0.000 2.496 45 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.243 45 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.243 45 G C 0.299 175.027 174.900 -0.287 0.000 1.176 45 G CA -0.319 44.441 45.100 -0.568 0.000 0.940 45 G HN 1.399 nan 8.290 nan 0.000 0.573 46 L N -0.276 120.830 121.223 -0.195 0.000 3.976 46 L HA -0.215 4.125 4.340 -0.002 0.000 0.418 46 L C 1.440 178.239 176.870 -0.117 0.000 1.177 46 L CA 0.640 55.401 54.840 -0.133 0.000 0.968 46 L CB -1.256 40.737 42.059 -0.110 0.000 1.933 46 L HN 0.652 nan 8.230 nan 0.000 0.976 47 N N 0.317 118.934 118.700 -0.139 0.000 2.717 47 N HA -0.108 4.631 4.740 -0.002 0.000 0.197 47 N C 1.102 176.569 175.510 -0.073 0.000 1.215 47 N CA 0.932 53.914 53.050 -0.112 0.000 0.949 47 N CB -0.150 38.263 38.487 -0.124 0.000 0.999 47 N HN 0.562 nan 8.380 nan 0.000 0.448 48 N N -0.121 118.541 118.700 -0.063 0.000 2.143 48 N HA 0.176 4.915 4.740 -0.002 0.000 0.222 48 N C -0.013 175.476 175.510 -0.035 0.000 1.264 48 N CA -0.267 52.757 53.050 -0.044 0.000 0.897 48 N CB 1.288 39.751 38.487 -0.040 0.000 1.092 48 N HN 0.222 nan 8.380 nan 0.000 0.516 49 I N 1.834 122.379 120.570 -0.040 0.000 2.648 49 I HA -0.032 4.137 4.170 -0.002 0.000 0.284 49 I C 0.134 176.240 176.117 -0.018 0.000 1.153 49 I CA -0.157 61.126 61.300 -0.029 0.000 1.426 49 I CB 0.596 38.575 38.000 -0.036 0.000 1.381 49 I HN 0.046 nan 8.210 nan 0.000 0.571 50 Q N 5.490 125.286 119.800 -0.008 0.000 2.394 50 Q HA 0.403 4.742 4.340 -0.002 0.000 0.248 50 Q C -0.057 175.946 176.000 0.005 0.000 0.992 50 Q CA -0.590 55.212 55.803 -0.000 0.000 0.888 50 Q CB 0.871 29.613 28.738 0.005 0.000 1.257 50 Q HN 0.789 nan 8.270 nan 0.000 0.462 51 A N 2.195 125.020 122.820 0.008 0.000 2.450 51 A HA 0.118 4.437 4.320 -0.002 0.000 0.255 51 A C 0.035 177.633 177.584 0.024 0.000 1.096 51 A CA -0.023 52.023 52.037 0.014 0.000 0.778 51 A CB -0.025 18.983 19.000 0.014 0.000 1.031 51 A HN 0.927 nan 8.150 nan 0.000 0.494 52 E N -0.291 119.929 120.200 0.033 0.000 3.303 52 E HA -0.164 4.185 4.350 -0.002 0.000 0.302 52 E C -0.003 176.636 176.600 0.064 0.000 0.902 52 E CA 1.042 57.474 56.400 0.052 0.000 1.042 52 E CB -1.440 28.288 29.700 0.047 0.000 1.528 52 E HN 0.915 nan 8.360 nan 0.000 0.424 53 E N 0.853 121.084 120.200 0.052 0.000 2.277 53 E HA 0.346 4.695 4.350 -0.002 0.000 0.274 53 E C -0.402 176.248 176.600 0.083 0.000 1.022 53 E CA -0.688 55.746 56.400 0.056 0.000 0.853 53 E CB 0.837 30.555 29.700 0.029 0.000 1.086 53 E HN 0.023 nan 8.360 nan 0.000 0.397 54 L N 4.569 125.855 121.223 0.104 0.000 2.397 54 L HA 0.194 4.533 4.340 -0.002 0.000 0.271 54 L C -0.726 176.206 176.870 0.103 0.000 1.148 54 L CA 0.002 54.933 54.840 0.151 0.000 0.825 54 L CB 1.238 43.389 42.059 0.153 0.000 1.117 54 L HN 0.366 nan 8.230 nan 0.000 0.456 55 V N 1.141 121.131 119.914 0.127 0.000 2.735 55 V HA 0.636 4.755 4.120 -0.002 0.000 0.310 55 V C -0.450 175.722 176.094 0.129 0.000 1.061 55 V CA -0.855 61.481 62.300 0.061 0.000 0.913 55 V CB 1.747 33.539 31.823 -0.052 0.000 1.005 55 V HN 0.783 nan 8.190 nan 0.000 0.428 56 E N 2.985 123.223 120.200 0.063 0.000 2.216 56 E HA 0.558 4.907 4.350 -0.002 0.000 0.279 56 E C -1.323 175.306 176.600 0.048 0.000 0.997 56 E CA -0.387 56.086 56.400 0.122 0.000 0.817 56 E CB 1.651 31.400 29.700 0.082 0.000 1.096 56 E HN 0.661 nan 8.360 nan 0.000 0.393 57 F N 0.812 120.785 119.950 0.037 0.000 2.378 57 F HA 0.047 4.573 4.527 -0.001 0.000 0.325 57 F C 1.898 177.714 175.800 0.027 0.000 1.097 57 F CA -0.174 57.843 58.000 0.028 0.000 1.079 57 F CB 1.367 40.383 39.000 0.026 0.000 1.240 57 F HN 0.512 nan 8.300 nan 0.000 0.519 58 S N -0.227 115.571 115.700 0.165 0.000 2.400 58 S HA -0.189 4.280 4.470 -0.002 0.000 0.232 58 S C 1.868 176.535 174.600 0.112 0.000 1.025 58 S CA 1.404 59.665 58.200 0.101 0.000 0.993 58 S CB -0.882 62.361 63.200 0.072 0.000 0.808 58 S HN 0.667 nan 8.310 nan 0.000 0.478 59 S N -0.096 115.692 115.700 0.148 0.000 2.607 59 S HA 0.448 4.917 4.470 -0.002 0.000 0.224 59 S C 1.593 176.248 174.600 0.092 0.000 0.969 59 S CA 0.748 59.009 58.200 0.102 0.000 0.927 59 S CB -0.521 62.729 63.200 0.084 0.000 0.772 59 S HN 1.450 nan 8.310 nan 0.000 0.533 60 G N 0.291 109.165 108.800 0.123 0.000 2.424 60 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.207 60 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.207 60 G C 0.198 175.174 174.900 0.127 0.000 1.061 60 G CA -0.204 44.958 45.100 0.104 0.000 0.657 60 G HN 1.175 nan 8.290 nan 0.000 0.508 61 V N 2.941 122.920 119.914 0.108 0.000 2.617 61 V HA 0.458 4.577 4.120 -0.002 0.000 0.304 61 V C 0.725 176.932 176.094 0.187 0.000 1.040 61 V CA 0.704 63.053 62.300 0.081 0.000 1.149 61 V CB 0.779 32.569 31.823 -0.055 0.000 0.914 61 V HN 0.437 nan 8.190 nan 0.000 0.487 62 K N 4.359 124.894 120.400 0.224 0.000 2.090 62 K HA 0.796 5.116 4.320 -0.002 0.000 0.249 62 K C 0.106 176.897 176.600 0.320 0.000 0.995 62 K CA 0.104 56.597 56.287 0.342 0.000 0.914 62 K CB 1.661 34.380 32.500 0.366 0.000 1.057 62 K HN 0.999 nan 8.250 nan 0.000 0.462 63 G N 0.312 109.294 108.800 0.303 0.000 2.608 63 G HA2 0.499 4.458 3.960 -0.002 0.000 0.291 63 G HA3 0.499 4.458 3.960 -0.002 0.000 0.291 63 G C -1.924 172.946 174.900 -0.051 0.000 1.425 63 G CA -0.745 44.323 45.100 -0.053 0.000 0.787 63 G HN 0.460 nan 8.290 nan 0.000 0.484 64 M N 0.977 120.442 119.600 -0.225 0.000 2.263 64 M HA 0.662 5.141 4.480 -0.002 0.000 0.295 64 M C -0.310 175.971 176.300 -0.032 0.000 1.028 64 M CA -0.820 54.436 55.300 -0.072 0.000 0.921 64 M CB 1.950 34.490 32.600 -0.100 0.000 1.601 64 M HN 0.833 nan 8.290 nan 0.000 0.440 65 A N 5.601 128.430 122.820 0.015 0.000 2.310 65 A HA 0.483 4.802 4.320 -0.002 0.000 0.300 65 A C 0.007 177.596 177.584 0.009 0.000 1.269 65 A CA -0.369 51.674 52.037 0.010 0.000 0.909 65 A CB -0.153 18.852 19.000 0.008 0.000 1.144 65 A HN 1.065 nan 8.150 nan 0.000 0.540 66 L N 1.583 122.806 121.223 -0.001 0.000 2.577 66 L HA 0.185 4.524 4.340 -0.002 0.000 0.225 66 L C 0.057 176.931 176.870 0.008 0.000 1.053 66 L CA 0.072 54.914 54.840 0.003 0.000 0.866 66 L CB 0.063 42.114 42.059 -0.014 0.000 1.132 66 L HN 0.508 nan 8.230 nan 0.000 0.486 67 N N 1.612 120.315 118.700 0.004 0.000 2.546 67 N HA 0.345 5.084 4.740 -0.002 0.000 0.238 67 N C -0.873 174.641 175.510 0.007 0.000 0.984 67 N CA 0.004 53.059 53.050 0.007 0.000 0.935 67 N CB 1.071 39.562 38.487 0.006 0.000 1.122 67 N HN 0.053 nan 8.380 nan 0.000 0.510 68 L N 2.195 123.421 121.223 0.005 0.000 2.328 68 L HA 0.336 4.675 4.340 -0.002 0.000 0.280 68 L C 0.643 177.515 176.870 0.004 0.000 1.111 68 L CA -0.291 54.549 54.840 0.000 0.000 0.909 68 L CB 0.066 42.123 42.059 -0.003 0.000 1.277 68 L HN 0.277 nan 8.230 nan 0.000 0.433 69 E N 2.894 123.098 120.200 0.008 0.000 2.254 69 E HA 0.279 4.629 4.350 -0.002 0.000 0.261 69 E C -1.570 175.037 176.600 0.013 0.000 1.051 69 E CA -1.766 54.641 56.400 0.013 0.000 0.902 69 E CB 0.918 30.630 29.700 0.020 0.000 1.168 69 E HN 0.250 nan 8.360 nan 0.000 0.423 70 P HA -0.125 nan 4.420 nan 0.000 0.213 70 P C 1.259 178.581 177.300 0.037 0.000 1.170 70 P CA 1.224 64.336 63.100 0.019 0.000 0.893 70 P CB -0.070 31.643 31.700 0.022 0.000 0.784 71 G N -1.270 107.567 108.800 0.063 0.000 2.484 71 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.218 71 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.218 71 G C 0.545 175.549 174.900 0.173 0.000 1.130 71 G CA 0.485 45.659 45.100 0.123 0.000 0.784 71 G HN 0.516 nan 8.290 nan 0.000 0.543 72 Q N -2.247 117.612 119.800 0.098 0.000 2.782 72 Q HA 0.572 4.911 4.340 -0.002 0.000 0.308 72 Q C -2.129 173.895 176.000 0.040 0.000 0.883 72 Q CA -0.984 54.881 55.803 0.103 0.000 0.755 72 Q CB 1.652 30.465 28.738 0.125 0.000 1.454 72 Q HN -0.059 nan 8.270 nan 0.000 0.452 73 V N 0.488 120.423 119.914 0.036 0.000 2.531 73 V HA 0.651 4.770 4.120 -0.002 0.000 0.301 73 V C 0.123 176.235 176.094 0.031 0.000 1.034 73 V CA -0.285 62.025 62.300 0.017 0.000 0.865 73 V CB 1.557 33.375 31.823 -0.008 0.000 0.995 73 V HN 0.840 nan 8.190 nan 0.000 0.424 74 G N 5.156 113.970 108.800 0.023 0.000 2.358 74 G HA2 0.596 4.555 3.960 -0.002 0.000 0.273 74 G HA3 0.596 4.555 3.960 -0.002 0.000 0.273 74 G C -0.599 174.313 174.900 0.020 0.000 1.215 74 G CA -0.106 45.007 45.100 0.021 0.000 0.910 74 G HN 0.611 nan 8.290 nan 0.000 0.467 75 I N 2.598 123.192 120.570 0.040 0.000 2.466 75 I HA 0.264 4.433 4.170 -0.002 0.000 0.289 75 I C 0.033 176.150 176.117 0.000 0.000 1.026 75 I CA -1.193 60.134 61.300 0.044 0.000 1.078 75 I CB 2.354 40.436 38.000 0.135 0.000 1.249 75 I HN 0.376 nan 8.210 nan 0.000 0.429 76 V N 5.809 125.671 119.914 -0.085 0.000 2.439 76 V HA 0.572 4.691 4.120 -0.002 0.000 0.282 76 V C -0.225 175.689 176.094 -0.300 0.000 1.039 76 V CA -0.604 61.598 62.300 -0.163 0.000 0.913 76 V CB 1.183 32.904 31.823 -0.169 0.000 0.983 76 V HN 0.530 nan 8.190 nan 0.000 0.460 77 L N 4.016 125.081 121.223 -0.263 0.000 2.375 77 L HA 0.480 4.819 4.340 -0.002 0.000 0.271 77 L C 0.439 177.148 176.870 -0.268 0.000 1.107 77 L CA -0.430 54.233 54.840 -0.295 0.000 0.806 77 L CB 0.717 42.612 42.059 -0.273 0.000 1.146 77 L HN 0.564 nan 8.230 nan 0.000 0.447 78 F N 0.529 120.486 119.950 0.012 0.000 2.765 78 F HA 0.292 4.818 4.527 -0.002 0.000 0.302 78 F C 1.233 177.039 175.800 0.010 0.000 1.111 78 F CA -0.268 57.751 58.000 0.031 0.000 1.359 78 F CB 0.093 39.126 39.000 0.055 0.000 1.097 78 F HN 0.549 nan 8.300 nan 0.000 0.577 79 G N -1.359 107.504 108.800 0.106 0.000 3.021 79 G HA2 0.363 4.322 3.960 -0.002 0.000 0.290 79 G HA3 0.363 4.322 3.960 -0.002 0.000 0.290 79 G C -0.979 173.915 174.900 -0.010 0.000 1.291 79 G CA -0.604 44.528 45.100 0.053 0.000 0.834 79 G HN -0.109 nan 8.290 nan 0.000 0.564 80 S N -0.560 115.130 115.700 -0.016 0.000 2.572 80 S HA 0.272 4.741 4.470 -0.002 0.000 0.279 80 S C 0.694 175.247 174.600 -0.079 0.000 1.341 80 S CA 0.447 58.627 58.200 -0.034 0.000 1.043 80 S CB 0.810 63.999 63.200 -0.018 0.000 0.887 80 S HN 0.601 nan 8.310 nan 0.000 0.516 81 D N 2.448 122.799 120.400 -0.081 0.000 2.363 81 D HA 0.016 4.655 4.640 -0.002 0.000 0.214 81 D C 1.500 177.758 176.300 -0.070 0.000 1.093 81 D CA -0.194 53.740 54.000 -0.111 0.000 0.837 81 D CB -0.184 40.550 40.800 -0.109 0.000 0.948 81 D HN 0.686 nan 8.370 nan 0.000 0.507 82 R N 0.396 120.869 120.500 -0.046 0.000 2.193 82 R HA -0.008 4.331 4.340 -0.002 0.000 0.229 82 R C 1.204 177.491 176.300 -0.022 0.000 1.110 82 R CA 0.816 56.900 56.100 -0.026 0.000 0.988 82 R CB -0.476 29.814 30.300 -0.016 0.000 0.871 82 R HN 0.246 nan 8.270 nan 0.000 0.458 83 L N 1.211 122.416 121.223 -0.031 0.000 2.664 83 L HA 0.248 4.587 4.340 -0.002 0.000 0.233 83 L C -0.026 176.838 176.870 -0.010 0.000 1.113 83 L CA -0.412 54.419 54.840 -0.014 0.000 0.896 83 L CB 1.168 43.224 42.059 -0.006 0.000 1.163 83 L HN -0.071 nan 8.230 nan 0.000 0.497 84 V N 0.840 120.726 119.914 -0.046 0.000 2.649 84 V HA 0.195 4.314 4.120 -0.002 0.000 0.292 84 V C 0.055 176.161 176.094 0.020 0.000 1.055 84 V CA -0.236 62.055 62.300 -0.016 0.000 1.023 84 V CB 1.184 32.932 31.823 -0.125 0.000 0.992 84 V HN 0.164 nan 8.190 nan 0.000 0.480 85 K N 2.186 122.622 120.400 0.060 0.000 2.469 85 K HA 0.369 4.688 4.320 -0.002 0.000 0.254 85 K C -0.557 176.081 176.600 0.064 0.000 0.939 85 K CA -0.843 55.473 56.287 0.048 0.000 0.812 85 K CB 2.631 35.155 32.500 0.040 0.000 1.301 85 K HN 0.775 nan 8.250 nan 0.000 0.433 86 E N 0.618 120.846 120.200 0.046 0.000 2.480 86 E HA -0.008 4.341 4.350 -0.002 0.000 0.258 86 E C 0.509 177.136 176.600 0.045 0.000 0.984 86 E CA 1.439 57.867 56.400 0.046 0.000 0.930 86 E CB 0.232 29.948 29.700 0.027 0.000 0.936 86 E HN 0.804 nan 8.360 nan 0.000 0.466 87 G N 4.005 112.837 108.800 0.054 0.000 2.279 87 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.223 87 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.223 87 G C 0.266 175.200 174.900 0.057 0.000 1.015 87 G CA 0.206 45.335 45.100 0.048 0.000 0.621 87 G HN 0.701 nan 8.290 nan 0.000 0.506 88 E N 0.953 121.197 120.200 0.073 0.000 2.534 88 E HA 0.259 4.608 4.350 -0.002 0.000 0.264 88 E C 0.559 177.195 176.600 0.060 0.000 0.981 88 E CA -0.152 56.299 56.400 0.085 0.000 0.948 88 E CB 0.291 30.073 29.700 0.138 0.000 0.934 88 E HN 0.588 nan 8.360 nan 0.000 0.459 89 L N 4.389 125.631 121.223 0.031 0.000 2.395 89 L HA 0.360 4.699 4.340 -0.002 0.000 0.269 89 L C -1.075 175.727 176.870 -0.113 0.000 1.133 89 L CA -0.563 54.263 54.840 -0.023 0.000 0.812 89 L CB 1.066 43.119 42.059 -0.011 0.000 1.125 89 L HN 0.428 nan 8.230 nan 0.000 0.452 90 V N 4.747 124.542 119.914 -0.199 0.000 2.531 90 V HA 0.401 4.520 4.120 -0.002 0.000 0.301 90 V C -0.392 175.558 176.094 -0.239 0.000 1.034 90 V CA -0.826 61.239 62.300 -0.392 0.000 0.865 90 V CB 1.651 33.114 31.823 -0.600 0.000 0.995 90 V HN 0.666 nan 8.190 nan 0.000 0.424 91 K N 4.133 124.413 120.400 -0.200 0.000 2.182 91 K HA 0.579 4.898 4.320 -0.002 0.000 0.262 91 K C 0.028 176.573 176.600 -0.091 0.000 0.957 91 K CA -0.776 55.447 56.287 -0.107 0.000 0.842 91 K CB 1.429 33.895 32.500 -0.057 0.000 1.099 91 K HN 0.631 nan 8.250 nan 0.000 0.438 92 R N 0.798 121.258 120.500 -0.066 0.000 2.827 92 R HA 0.041 4.380 4.340 -0.002 0.000 0.269 92 R C 0.641 176.932 176.300 -0.014 0.000 1.048 92 R CA 0.331 56.407 56.100 -0.040 0.000 1.173 92 R CB 0.516 30.795 30.300 -0.035 0.000 1.070 92 R HN 0.685 nan 8.270 nan 0.000 0.498 93 T N -0.818 113.738 114.554 0.004 0.000 2.999 93 T HA 0.144 4.493 4.350 -0.002 0.000 0.247 93 T C 1.098 175.805 174.700 0.010 0.000 1.012 93 T CA 0.412 62.522 62.100 0.016 0.000 1.048 93 T CB 0.576 69.466 68.868 0.036 0.000 1.020 93 T HN 0.880 nan 8.240 nan 0.000 0.478 94 G N 2.257 111.061 108.800 0.007 0.000 2.148 94 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.254 94 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.254 94 G C -0.181 174.727 174.900 0.012 0.000 0.981 94 G CA -0.116 44.987 45.100 0.005 0.000 0.670 94 G HN 0.572 nan 8.290 nan 0.000 0.528 95 N N 0.127 118.840 118.700 0.022 0.000 2.354 95 N HA 0.527 5.266 4.740 -0.002 0.000 0.287 95 N C -0.080 175.454 175.510 0.040 0.000 1.016 95 N CA -1.146 51.921 53.050 0.028 0.000 0.871 95 N CB 1.256 39.760 38.487 0.029 0.000 1.299 95 N HN -0.031 nan 8.380 nan 0.000 0.482 96 I N 2.280 122.870 120.570 0.034 0.000 2.648 96 I HA 0.014 4.183 4.170 -0.002 0.000 0.284 96 I C 0.752 176.898 176.117 0.049 0.000 1.153 96 I CA -0.251 61.075 61.300 0.042 0.000 1.426 96 I CB 0.454 38.470 38.000 0.027 0.000 1.381 96 I HN 0.275 nan 8.210 nan 0.000 0.571 97 V N 7.110 127.069 119.914 0.076 0.000 2.583 97 V HA -0.097 4.022 4.120 -0.002 0.000 0.302 97 V C 0.349 176.464 176.094 0.036 0.000 1.033 97 V CA 0.246 62.591 62.300 0.075 0.000 1.194 97 V CB -0.625 31.275 31.823 0.128 0.000 0.879 97 V HN 0.911 nan 8.190 nan 0.000 0.482 98 D N 4.397 124.808 120.400 0.019 0.000 2.687 98 D HA 0.789 5.428 4.640 -0.002 0.000 0.264 98 D C -0.506 175.789 176.300 -0.008 0.000 1.091 98 D CA -0.652 53.353 54.000 0.008 0.000 1.123 98 D CB 2.066 42.871 40.800 0.008 0.000 1.407 98 D HN 0.477 nan 8.370 nan 0.000 0.591 99 V N -5.393 114.516 119.914 -0.008 0.000 3.087 99 V HA 0.676 4.795 4.120 -0.002 0.000 0.306 99 V C -2.901 173.177 176.094 -0.026 0.000 1.187 99 V CA -2.172 60.116 62.300 -0.020 0.000 0.999 99 V CB 1.784 33.598 31.823 -0.014 0.000 1.049 99 V HN 0.613 nan 8.190 nan 0.000 0.431 100 P HA 0.355 nan 4.420 nan 0.000 0.271 100 P C -0.413 176.836 177.300 -0.085 0.000 1.216 100 P CA 0.160 63.224 63.100 -0.061 0.000 0.771 100 P CB 1.405 33.067 31.700 -0.063 0.000 0.864 101 V N -0.234 119.602 119.914 -0.130 0.000 3.126 101 V HA 1.028 5.147 4.120 -0.002 0.000 0.314 101 V C 0.057 175.862 176.094 -0.482 0.000 1.138 101 V CA -0.411 61.755 62.300 -0.223 0.000 1.034 101 V CB 1.326 33.081 31.823 -0.113 0.000 1.075 101 V HN 0.971 nan 8.190 nan 0.000 0.442 102 G N 0.793 109.055 108.800 -0.896 0.000 2.355 102 G HA2 0.175 4.134 3.960 -0.002 0.000 0.619 102 G HA3 0.175 4.134 3.960 -0.002 0.000 0.619 102 G C -2.521 171.675 174.900 -1.172 0.000 1.337 102 G CA -0.028 44.173 45.100 -1.497 0.000 0.993 102 G HN 0.738 nan 8.290 nan 0.000 0.599 103 P HA 0.017 nan 4.420 nan 0.000 0.226 103 P C 1.866 179.030 177.300 -0.227 0.000 1.153 103 P CA 1.589 64.369 63.100 -0.533 0.000 0.777 103 P CB -0.152 31.334 31.700 -0.358 0.000 0.794 104 G N 0.561 109.196 108.800 -0.275 0.000 2.462 104 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.220 104 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.220 104 G C 1.377 176.225 174.900 -0.087 0.000 1.121 104 G CA 0.388 45.401 45.100 -0.146 0.000 0.758 104 G HN 0.216 nan 8.290 nan 0.000 0.559 105 L N 0.158 121.324 121.223 -0.095 0.000 2.291 105 L HA 0.247 4.586 4.340 -0.002 0.000 0.214 105 L C 1.352 178.245 176.870 0.038 0.000 1.120 105 L CA 0.134 54.958 54.840 -0.026 0.000 0.799 105 L CB -0.286 41.760 42.059 -0.021 0.000 0.925 105 L HN 0.111 nan 8.230 nan 0.000 0.446 106 L N 0.270 121.542 121.223 0.081 0.000 2.601 106 L HA 0.093 4.432 4.340 -0.002 0.000 0.277 106 L C 1.455 178.368 176.870 0.072 0.000 1.219 106 L CA 0.809 55.729 54.840 0.133 0.000 0.915 106 L CB -0.323 41.864 42.059 0.214 0.000 1.160 106 L HN 0.451 nan 8.230 nan 0.000 0.494 107 G N 2.054 110.883 108.800 0.048 0.000 2.179 107 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.260 107 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.260 107 G C 0.358 175.258 174.900 -0.001 0.000 0.977 107 G CA -0.358 44.745 45.100 0.005 0.000 0.641 107 G HN 0.482 nan 8.290 nan 0.000 0.533 108 R N -0.655 119.852 120.500 0.011 0.000 2.782 108 R HA 0.759 5.098 4.340 -0.002 0.000 0.258 108 R C -0.376 175.930 176.300 0.009 0.000 1.055 108 R CA -0.708 55.394 56.100 0.005 0.000 1.065 108 R CB 1.579 31.879 30.300 0.001 0.000 1.172 108 R HN 0.281 nan 8.270 nan 0.000 0.510 109 V N 1.879 121.797 119.914 0.006 0.000 2.409 109 V HA 0.352 4.471 4.120 -0.002 0.000 0.290 109 V C 0.028 176.128 176.094 0.010 0.000 1.017 109 V CA -0.776 61.532 62.300 0.013 0.000 0.841 109 V CB 1.518 33.348 31.823 0.011 0.000 1.003 109 V HN 0.619 nan 8.190 nan 0.000 0.426 110 V N 1.317 121.238 119.914 0.012 0.000 3.158 110 V HA 0.870 4.989 4.120 -0.002 0.000 0.315 110 V C -0.380 175.716 176.094 0.004 0.000 1.148 110 V CA -0.704 61.598 62.300 0.003 0.000 1.042 110 V CB 2.225 34.045 31.823 -0.005 0.000 1.101 110 V HN 0.774 nan 8.190 nan 0.000 0.448 111 D N 1.101 121.496 120.400 -0.007 0.000 2.511 111 D HA 0.534 5.174 4.640 -0.002 0.000 0.276 111 D C 1.233 177.518 176.300 -0.026 0.000 1.220 111 D CA 0.053 54.047 54.000 -0.010 0.000 1.077 111 D CB 1.094 41.886 40.800 -0.013 0.000 1.126 111 D HN 0.839 nan 8.370 nan 0.000 0.583 112 A N -0.634 122.164 122.820 -0.036 0.000 1.940 112 A HA -0.101 4.218 4.320 -0.002 0.000 0.219 112 A C 2.255 179.785 177.584 -0.091 0.000 1.176 112 A CA 1.341 53.347 52.037 -0.052 0.000 0.631 112 A CB -0.934 18.039 19.000 -0.045 0.000 0.814 112 A HN 0.523 nan 8.150 nan 0.000 0.446 113 L N -1.407 119.737 121.223 -0.132 0.000 2.592 113 L HA 0.266 4.605 4.340 -0.002 0.000 0.227 113 L C 1.557 178.379 176.870 -0.080 0.000 1.127 113 L CA 0.468 55.221 54.840 -0.145 0.000 0.884 113 L CB -0.055 41.875 42.059 -0.215 0.000 1.065 113 L HN 0.554 nan 8.230 nan 0.000 0.457 114 G N -0.124 108.643 108.800 -0.055 0.000 2.143 114 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.249 114 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.249 114 G C 0.077 174.956 174.900 -0.035 0.000 0.981 114 G CA -0.298 44.780 45.100 -0.037 0.000 0.665 114 G HN 0.407 nan 8.290 nan 0.000 0.528 115 N N 1.948 120.626 118.700 -0.037 0.000 2.492 115 N HA 0.285 5.024 4.740 -0.002 0.000 0.262 115 N C -2.450 173.049 175.510 -0.018 0.000 1.202 115 N CA -0.594 52.440 53.050 -0.026 0.000 0.926 115 N CB 1.131 39.603 38.487 -0.025 0.000 1.078 115 N HN 0.212 nan 8.380 nan 0.000 0.454 116 P HA 0.111 nan 4.420 nan 0.000 0.276 116 P C 0.495 177.792 177.300 -0.005 0.000 1.243 116 P CA -0.066 63.029 63.100 -0.010 0.000 0.768 116 P CB 0.466 32.159 31.700 -0.011 0.000 0.856 117 I N 0.099 120.669 120.570 -0.001 0.000 4.082 117 I HA 0.166 4.335 4.170 -0.002 0.000 0.337 117 I C 0.837 176.956 176.117 0.003 0.000 1.352 117 I CA -0.028 61.274 61.300 0.003 0.000 1.097 117 I CB -0.183 37.821 38.000 0.007 0.000 1.048 117 I HN 0.025 nan 8.210 nan 0.000 0.393 118 D N 1.698 122.099 120.400 0.001 0.000 2.349 118 D HA 0.070 4.709 4.640 -0.002 0.000 0.224 118 D C 1.577 177.876 176.300 -0.002 0.000 1.029 118 D CA 0.567 54.567 54.000 -0.001 0.000 0.879 118 D CB -0.399 40.399 40.800 -0.003 0.000 0.906 118 D HN 0.442 nan 8.370 nan 0.000 0.528 119 G N 1.007 109.806 108.800 -0.002 0.000 2.314 119 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.292 119 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.292 119 G C 0.473 175.370 174.900 -0.004 0.000 1.059 119 G CA 0.312 45.410 45.100 -0.002 0.000 0.982 119 G HN 0.456 nan 8.290 nan 0.000 0.505 120 K N -0.294 120.102 120.400 -0.005 0.000 2.469 120 K HA 0.459 4.778 4.320 -0.002 0.000 0.204 120 K C 1.312 177.907 176.600 -0.008 0.000 1.047 120 K CA 0.161 56.444 56.287 -0.007 0.000 1.072 120 K CB 1.018 33.513 32.500 -0.008 0.000 0.863 120 K HN 1.560 nan 8.250 nan 0.000 0.530 121 G N 2.495 111.291 108.800 -0.007 0.000 2.548 121 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.208 121 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.208 121 G C -2.816 172.077 174.900 -0.011 0.000 1.308 121 G CA -1.193 43.902 45.100 -0.008 0.000 0.924 121 G HN -0.015 nan 8.290 nan 0.000 0.540 122 P HA 0.492 nan 4.420 nan 0.000 0.272 122 P C 0.116 177.402 177.300 -0.023 0.000 1.230 122 P CA -0.509 62.580 63.100 -0.017 0.000 0.788 122 P CB 0.399 32.089 31.700 -0.017 0.000 0.949 123 I N 1.518 122.070 120.570 -0.030 0.000 2.365 123 I HA 0.120 4.289 4.170 -0.002 0.000 0.291 123 I C 0.421 176.507 176.117 -0.052 0.000 1.004 123 I CA -0.262 61.014 61.300 -0.041 0.000 1.311 123 I CB 0.390 38.363 38.000 -0.045 0.000 1.401 123 I HN 0.356 nan 8.210 nan 0.000 0.491 124 D N 5.583 125.946 120.400 -0.062 0.000 2.374 124 D HA 0.407 5.046 4.640 -0.002 0.000 0.240 124 D C -0.110 176.121 176.300 -0.115 0.000 1.229 124 D CA -0.022 53.933 54.000 -0.075 0.000 0.895 124 D CB 0.604 41.363 40.800 -0.069 0.000 1.046 124 D HN 0.645 nan 8.370 nan 0.000 0.498 125 A N 3.044 125.800 122.820 -0.106 0.000 2.276 125 A HA 0.599 4.918 4.320 -0.002 0.000 0.316 125 A C 0.930 178.431 177.584 -0.138 0.000 1.229 125 A CA -0.355 51.601 52.037 -0.135 0.000 0.851 125 A CB 1.388 20.331 19.000 -0.095 0.000 1.165 125 A HN 0.641 nan 8.150 nan 0.000 0.513 126 A N 2.104 124.798 122.820 -0.210 0.000 2.169 126 A HA 0.531 4.850 4.320 -0.002 0.000 0.212 126 A C 1.137 178.686 177.584 -0.058 0.000 1.153 126 A CA 1.351 53.300 52.037 -0.146 0.000 0.756 126 A CB -0.271 18.595 19.000 -0.224 0.000 0.813 126 A HN 2.127 nan 8.150 nan 0.000 0.471 127 G N -1.205 107.552 108.800 -0.072 0.000 2.335 127 G HA2 0.490 4.449 3.960 -0.002 0.000 0.291 127 G HA3 0.490 4.449 3.960 -0.002 0.000 0.291 127 G C -1.549 173.335 174.900 -0.026 0.000 1.261 127 G CA -1.031 44.057 45.100 -0.019 0.000 0.871 127 G HN 0.197 nan 8.290 nan 0.000 0.491 128 R N 0.171 120.670 120.500 -0.002 0.000 2.502 128 R HA 0.600 4.939 4.340 -0.002 0.000 0.298 128 R C -0.869 175.440 176.300 0.015 0.000 1.018 128 R CA -0.585 55.514 56.100 -0.002 0.000 0.899 128 R CB 2.062 32.359 30.300 -0.006 0.000 1.181 128 R HN 0.485 nan 8.270 nan 0.000 0.444 129 S N 2.203 117.915 115.700 0.021 0.000 2.585 129 S HA 0.389 4.858 4.470 -0.002 0.000 0.277 129 S C 0.321 174.932 174.600 0.018 0.000 1.241 129 S CA -0.867 57.349 58.200 0.027 0.000 1.041 129 S CB 1.405 64.630 63.200 0.042 0.000 0.987 129 S HN 0.394 nan 8.310 nan 0.000 0.512 130 R N 0.532 121.041 120.500 0.015 0.000 2.827 130 R HA 0.232 4.571 4.340 -0.002 0.000 0.269 130 R C 1.489 177.798 176.300 0.014 0.000 1.048 130 R CA 0.386 56.493 56.100 0.011 0.000 1.173 130 R CB 0.044 30.346 30.300 0.004 0.000 1.070 130 R HN 0.807 nan 8.270 nan 0.000 0.498 131 A N 1.310 124.137 122.820 0.011 0.000 1.929 131 A HA -0.063 4.256 4.320 -0.002 0.000 0.216 131 A C 0.272 177.840 177.584 -0.026 0.000 1.176 131 A CA 1.126 53.174 52.037 0.019 0.000 0.628 131 A CB 0.146 19.164 19.000 0.030 0.000 0.816 131 A HN 0.502 nan 8.150 nan 0.000 0.444 132 Q N 0.734 120.483 119.800 -0.084 0.000 2.431 132 Q HA 0.476 4.815 4.340 -0.002 0.000 0.249 132 Q C -1.344 174.608 176.000 -0.079 0.000 1.025 132 Q CA -0.072 55.634 55.803 -0.161 0.000 0.835 132 Q CB 1.417 30.023 28.738 -0.219 0.000 1.207 132 Q HN 0.209 nan 8.270 nan 0.000 0.490 133 V N 2.014 121.897 119.914 -0.051 0.000 2.628 133 V HA 0.362 4.481 4.120 -0.002 0.000 0.306 133 V C 0.324 176.407 176.094 -0.018 0.000 1.045 133 V CA -1.097 61.192 62.300 -0.019 0.000 0.905 133 V CB 2.095 33.921 31.823 0.006 0.000 0.997 133 V HN 0.563 nan 8.190 nan 0.000 0.436 134 K N 1.935 122.332 120.400 -0.006 0.000 2.440 134 K HA 0.436 4.755 4.320 -0.002 0.000 0.270 134 K C 0.368 176.973 176.600 0.009 0.000 0.980 134 K CA 0.282 56.572 56.287 0.006 0.000 0.953 134 K CB 0.465 32.973 32.500 0.013 0.000 0.925 134 K HN 0.930 nan 8.250 nan 0.000 0.497 135 A N 3.642 126.471 122.820 0.015 0.000 2.304 135 A HA 0.346 4.665 4.320 -0.002 0.000 0.271 135 A C -2.211 175.383 177.584 0.015 0.000 1.091 135 A CA -1.368 50.679 52.037 0.017 0.000 0.812 135 A CB -0.174 18.837 19.000 0.020 0.000 1.056 135 A HN 0.473 nan 8.150 nan 0.000 0.489 136 P HA 0.244 nan 4.420 nan 0.000 0.267 136 P C 0.629 177.937 177.300 0.015 0.000 1.209 136 P CA 0.475 63.581 63.100 0.009 0.000 0.763 136 P CB 0.655 32.358 31.700 0.006 0.000 0.816 137 G N 1.863 110.671 108.800 0.014 0.000 2.486 137 G HA2 0.037 3.996 3.960 -0.002 0.000 0.272 137 G HA3 0.037 3.996 3.960 -0.002 0.000 0.272 137 G C 0.987 175.897 174.900 0.017 0.000 1.426 137 G CA -0.422 44.689 45.100 0.018 0.000 1.058 137 G HN 0.344 nan 8.290 nan 0.000 0.531 138 I N -0.872 119.709 120.570 0.018 0.000 2.454 138 I HA -0.070 4.099 4.170 -0.002 0.000 0.254 138 I C 2.477 178.602 176.117 0.014 0.000 1.156 138 I CA 0.704 62.014 61.300 0.018 0.000 1.433 138 I CB -0.331 37.680 38.000 0.018 0.000 1.082 138 I HN 0.274 nan 8.210 nan 0.000 0.432 139 L N 1.054 122.283 121.223 0.010 0.000 2.130 139 L HA 0.089 4.428 4.340 -0.002 0.000 0.200 139 L C -0.900 175.973 176.870 0.005 0.000 1.075 139 L CA 1.170 56.014 54.840 0.007 0.000 0.768 139 L CB -1.268 40.794 42.059 0.004 0.000 0.933 139 L HN 0.127 nan 8.230 nan 0.000 0.451 140 P HA 0.035 nan 4.420 nan 0.000 0.261 140 P C -0.679 176.623 177.300 0.003 0.000 1.650 140 P CA 0.409 63.509 63.100 -0.001 0.000 0.846 140 P CB -0.221 31.476 31.700 -0.006 0.000 1.758 141 R N 0.153 120.659 120.500 0.010 0.000 2.854 141 R HA 0.636 4.976 4.340 -0.002 0.000 0.271 141 R C -0.039 176.274 176.300 0.023 0.000 0.994 141 R CA -0.883 55.228 56.100 0.017 0.000 0.945 141 R CB 2.636 32.948 30.300 0.021 0.000 1.194 141 R HN 0.007 nan 8.270 nan 0.000 0.476 142 R N 0.582 121.104 120.500 0.037 0.000 2.686 142 R HA 0.365 4.704 4.340 -0.002 0.000 0.283 142 R C -1.004 175.337 176.300 0.067 0.000 0.978 142 R CA -0.543 55.584 56.100 0.045 0.000 0.897 142 R CB 1.845 32.180 30.300 0.058 0.000 1.192 142 R HN 0.749 nan 8.270 nan 0.000 0.457 143 S N 1.615 117.349 115.700 0.057 0.000 2.561 143 S HA -0.010 4.459 4.470 -0.002 0.000 0.294 143 S C 0.354 175.033 174.600 0.133 0.000 1.294 143 S CA -0.485 57.757 58.200 0.069 0.000 1.055 143 S CB 0.651 63.879 63.200 0.045 0.000 0.819 143 S HN 0.385 nan 8.310 nan 0.000 0.503 144 V N 4.699 124.670 119.914 0.095 0.000 2.585 144 V HA 0.097 4.216 4.120 -0.002 0.000 0.296 144 V C 1.342 177.511 176.094 0.125 0.000 1.035 144 V CA 0.406 62.753 62.300 0.079 0.000 1.084 144 V CB -0.057 31.779 31.823 0.022 0.000 0.953 144 V HN 1.131 nan 8.190 nan 0.000 0.483 145 H N 1.848 120.905 119.070 -0.021 0.000 3.566 145 H HA 0.331 4.886 4.556 -0.002 0.000 0.259 145 H C -0.242 175.054 175.328 -0.053 0.000 1.184 145 H CA -0.476 55.555 56.048 -0.030 0.000 1.107 145 H CB 0.512 30.261 29.762 -0.021 0.000 1.726 145 H HN 0.629 nan 8.280 nan 0.000 0.743 146 E N 3.196 123.136 120.200 -0.433 0.000 2.155 146 E HA 0.370 4.719 4.350 -0.002 0.000 0.264 146 E C -2.896 173.537 176.600 -0.278 0.000 0.886 146 E CA -2.147 54.014 56.400 -0.398 0.000 0.752 146 E CB 2.248 31.630 29.700 -0.530 0.000 1.133 146 E HN 0.106 nan 8.360 nan 0.000 0.414 147 P HA -0.083 nan 4.420 nan 0.000 0.262 147 P C -0.686 176.450 177.300 -0.273 0.000 1.182 147 P CA 0.066 63.045 63.100 -0.201 0.000 0.761 147 P CB 0.499 32.097 31.700 -0.170 0.000 0.795 148 V N 5.509 125.296 119.914 -0.212 0.000 2.320 148 V HA 0.107 4.226 4.120 -0.002 0.000 0.265 148 V C 0.605 176.602 176.094 -0.161 0.000 1.048 148 V CA -0.102 62.066 62.300 -0.220 0.000 0.865 148 V CB 0.154 31.887 31.823 -0.150 0.000 1.043 148 V HN 0.485 nan 8.190 nan 0.000 0.474 149 Q N 2.430 122.113 119.800 -0.195 0.000 2.296 149 Q HA 0.142 4.481 4.340 -0.002 0.000 0.263 149 Q C 1.332 177.344 176.000 0.021 0.000 1.026 149 Q CA 0.141 55.916 55.803 -0.048 0.000 0.912 149 Q CB 1.142 29.914 28.738 0.056 0.000 1.198 149 Q HN 0.944 nan 8.270 nan 0.000 0.407 150 T N -1.151 113.413 114.554 0.016 0.000 3.014 150 T HA 0.110 4.459 4.350 -0.002 0.000 0.263 150 T C 1.373 176.097 174.700 0.040 0.000 1.078 150 T CA 0.421 62.533 62.100 0.020 0.000 1.135 150 T CB 0.085 68.953 68.868 0.000 0.000 0.895 150 T HN 0.865 nan 8.240 nan 0.000 0.480 151 G N 1.336 110.168 108.800 0.053 0.000 2.143 151 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.249 151 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.249 151 G C -0.082 174.831 174.900 0.021 0.000 0.981 151 G CA 0.180 45.307 45.100 0.045 0.000 0.665 151 G HN 0.628 nan 8.290 nan 0.000 0.528 152 L N 0.278 121.509 121.223 0.014 0.000 2.276 152 L HA 0.384 4.723 4.340 -0.002 0.000 0.286 152 L C 1.697 178.573 176.870 0.011 0.000 1.024 152 L CA -0.881 53.962 54.840 0.005 0.000 0.826 152 L CB 1.216 43.273 42.059 -0.003 0.000 1.211 152 L HN 0.054 nan 8.230 nan 0.000 0.422 153 K N 2.234 122.642 120.400 0.012 0.000 2.059 153 K HA -0.251 4.068 4.320 -0.002 0.000 0.212 153 K C 1.994 178.601 176.600 0.012 0.000 1.050 153 K CA 1.883 58.179 56.287 0.015 0.000 0.927 153 K CB -0.107 32.404 32.500 0.017 0.000 0.714 153 K HN 0.796 nan 8.250 nan 0.000 0.447 154 A N 0.992 123.818 122.820 0.010 0.000 1.873 154 A HA -0.116 4.203 4.320 -0.002 0.000 0.215 154 A C 2.445 180.039 177.584 0.017 0.000 1.186 154 A CA 1.494 53.539 52.037 0.013 0.000 0.616 154 A CB -0.709 18.300 19.000 0.015 0.000 0.823 154 A HN 0.071 nan 8.150 nan 0.000 0.442 155 V N 0.683 120.605 119.914 0.013 0.000 2.237 155 V HA -0.261 3.858 4.120 -0.002 0.000 0.245 155 V C 2.261 178.360 176.094 0.009 0.000 1.046 155 V CA 2.421 64.728 62.300 0.011 0.000 1.007 155 V CB -0.967 30.858 31.823 0.003 0.000 0.638 155 V HN 0.485 nan 8.190 nan 0.000 0.445 156 D N 0.155 120.559 120.400 0.008 0.000 2.149 156 D HA -0.135 4.504 4.640 -0.002 0.000 0.198 156 D C 2.109 178.415 176.300 0.011 0.000 0.990 156 D CA 1.726 55.730 54.000 0.007 0.000 0.839 156 D CB -0.301 40.507 40.800 0.013 0.000 0.948 156 D HN 0.456 nan 8.370 nan 0.000 0.460 157 A N -0.207 122.622 122.820 0.015 0.000 1.874 157 A HA 0.023 4.342 4.320 -0.002 0.000 0.214 157 A C 2.264 179.860 177.584 0.020 0.000 1.189 157 A CA 0.732 52.778 52.037 0.016 0.000 0.615 157 A CB -0.396 18.612 19.000 0.013 0.000 0.830 157 A HN 0.197 nan 8.150 nan 0.000 0.443 158 L N -0.689 120.548 121.223 0.023 0.000 2.316 158 L HA 0.096 4.436 4.340 -0.002 0.000 0.207 158 L C 0.568 177.458 176.870 0.033 0.000 1.070 158 L CA 0.570 55.430 54.840 0.032 0.000 0.820 158 L CB 0.336 42.418 42.059 0.039 0.000 0.992 158 L HN 0.289 nan 8.230 nan 0.000 0.466 159 V N -2.690 117.240 119.914 0.027 0.000 2.572 159 V HA 0.392 4.511 4.120 -0.002 0.000 0.274 159 V C -2.631 173.469 176.094 0.009 0.000 1.075 159 V CA -1.772 60.542 62.300 0.023 0.000 1.237 159 V CB -0.302 31.538 31.823 0.029 0.000 1.517 159 V HN -0.068 nan 8.190 nan 0.000 0.616 160 P HA 0.359 nan 4.420 nan 0.000 0.269 160 P C -0.421 176.868 177.300 -0.017 0.000 1.209 160 P CA 0.327 63.422 63.100 -0.008 0.000 0.776 160 P CB 1.680 33.376 31.700 -0.007 0.000 0.876 161 I N 1.475 122.025 120.570 -0.034 0.000 2.465 161 I HA 0.463 4.632 4.170 -0.002 0.000 0.291 161 I C 0.887 176.964 176.117 -0.066 0.000 1.014 161 I CA -0.443 60.832 61.300 -0.042 0.000 1.093 161 I CB 2.083 40.057 38.000 -0.043 0.000 1.267 161 I HN 0.339 nan 8.210 nan 0.000 0.431 162 G N 4.317 113.081 108.800 -0.060 0.000 2.434 162 G HA2 0.547 4.506 3.960 -0.002 0.000 0.330 162 G HA3 0.547 4.506 3.960 -0.002 0.000 0.330 162 G C -0.553 174.295 174.900 -0.087 0.000 1.155 162 G CA -0.769 44.281 45.100 -0.084 0.000 0.917 162 G HN 0.512 nan 8.290 nan 0.000 0.493 163 R N 0.068 120.493 120.500 -0.125 0.000 2.399 163 R HA 0.407 4.746 4.340 -0.002 0.000 0.324 163 R C 1.276 177.563 176.300 -0.022 0.000 1.030 163 R CA 1.535 57.584 56.100 -0.086 0.000 0.984 163 R CB 0.508 30.716 30.300 -0.153 0.000 0.961 163 R HN 1.054 nan 8.270 nan 0.000 0.433 164 G N 1.897 110.700 108.800 0.005 0.000 2.218 164 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.216 164 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.216 164 G C 0.175 175.079 174.900 0.008 0.000 0.994 164 G CA 0.031 45.141 45.100 0.016 0.000 0.637 164 G HN 0.582 nan 8.290 nan 0.000 0.505 165 Q N 0.410 120.206 119.800 -0.006 0.000 2.443 165 Q HA 0.649 4.988 4.340 -0.002 0.000 0.232 165 Q C 0.031 176.027 176.000 -0.006 0.000 1.026 165 Q CA -0.282 55.517 55.803 -0.006 0.000 0.924 165 Q CB 0.355 29.083 28.738 -0.016 0.000 1.256 165 Q HN 0.444 nan 8.270 nan 0.000 0.519 166 R N 2.071 122.569 120.500 -0.004 0.000 2.467 166 R HA 0.261 4.600 4.340 -0.002 0.000 0.299 166 R C -1.488 174.801 176.300 -0.017 0.000 1.120 166 R CA -0.554 55.542 56.100 -0.007 0.000 0.940 166 R CB 1.425 31.727 30.300 0.004 0.000 1.161 166 R HN 0.512 nan 8.270 nan 0.000 0.506 167 E N 2.675 122.857 120.200 -0.029 0.000 2.175 167 E HA 0.261 4.610 4.350 -0.002 0.000 0.278 167 E C -1.324 175.241 176.600 -0.059 0.000 0.969 167 E CA -0.903 55.473 56.400 -0.039 0.000 0.796 167 E CB 1.135 30.814 29.700 -0.036 0.000 1.104 167 E HN 0.356 nan 8.360 nan 0.000 0.395 168 L N 5.786 126.959 121.223 -0.083 0.000 2.276 168 L HA 0.470 4.809 4.340 -0.002 0.000 0.286 168 L C -1.040 175.735 176.870 -0.158 0.000 1.061 168 L CA -0.026 54.741 54.840 -0.122 0.000 0.807 168 L CB 0.631 42.600 42.059 -0.149 0.000 1.177 168 L HN 0.631 nan 8.230 nan 0.000 0.429 169 I N 7.095 127.584 120.570 -0.135 0.000 2.297 169 I HA 0.365 4.534 4.170 -0.002 0.000 0.291 169 I C -0.209 175.808 176.117 -0.167 0.000 1.033 169 I CA -0.039 61.180 61.300 -0.135 0.000 1.253 169 I CB 0.964 38.918 38.000 -0.077 0.000 1.396 169 I HN 0.594 nan 8.210 nan 0.000 0.476 170 I N 5.596 126.017 120.570 -0.248 0.000 2.608 170 I HA 0.904 5.073 4.170 -0.002 0.000 0.295 170 I C -0.276 175.779 176.117 -0.103 0.000 1.049 170 I CA -0.055 61.100 61.300 -0.243 0.000 1.063 170 I CB 1.957 39.686 38.000 -0.453 0.000 1.248 170 I HN 0.673 nan 8.210 nan 0.000 0.424 171 G N 4.938 113.735 108.800 -0.004 0.000 2.338 171 G HA2 0.157 4.116 3.960 -0.002 0.000 0.295 171 G HA3 0.157 4.116 3.960 -0.002 0.000 0.295 171 G C -1.896 173.036 174.900 0.053 0.000 1.461 171 G CA -0.786 44.358 45.100 0.074 0.000 0.817 171 G HN 0.512 nan 8.290 nan 0.000 0.556 172 D N 0.357 120.795 120.400 0.063 0.000 2.362 172 D HA 0.262 4.901 4.640 -0.002 0.000 0.238 172 D C 1.383 177.690 176.300 0.012 0.000 1.212 172 D CA 0.070 54.096 54.000 0.043 0.000 0.902 172 D CB 0.544 41.372 40.800 0.048 0.000 1.180 172 D HN 0.675 nan 8.370 nan 0.000 0.445 173 R N 0.815 121.321 120.500 0.009 0.000 2.697 173 R HA -0.045 4.294 4.340 -0.002 0.000 0.265 173 R C -0.157 176.116 176.300 -0.045 0.000 1.009 173 R CA -0.126 55.968 56.100 -0.009 0.000 1.099 173 R CB 0.152 30.454 30.300 0.003 0.000 0.965 173 R HN 0.227 nan 8.270 nan 0.000 0.428 174 Q N 0.038 119.795 119.800 -0.073 0.000 2.463 174 Q HA -0.146 4.193 4.340 -0.002 0.000 0.299 174 Q C 0.034 175.862 176.000 -0.287 0.000 1.353 174 Q CA 1.689 57.400 55.803 -0.152 0.000 0.828 174 Q CB -1.823 26.838 28.738 -0.128 0.000 1.157 174 Q HN 1.023 nan 8.270 nan 0.000 0.436 175 T N -5.693 108.737 114.554 -0.207 0.000 3.004 175 T HA 0.464 4.813 4.350 -0.002 0.000 0.266 175 T C 1.099 175.739 174.700 -0.099 0.000 0.986 175 T CA 0.742 62.716 62.100 -0.210 0.000 0.902 175 T CB 1.221 70.052 68.868 -0.061 0.000 1.118 175 T HN 0.880 nan 8.240 nan 0.000 0.522 176 G N 1.788 110.541 108.800 -0.080 0.000 2.141 176 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.164 176 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.164 176 G C 0.698 175.592 174.900 -0.010 0.000 1.009 176 G CA 0.160 45.254 45.100 -0.010 0.000 0.677 176 G HN 0.453 nan 8.290 nan 0.000 0.508 177 K N -0.211 120.179 120.400 -0.017 0.000 2.002 177 K HA -0.069 4.250 4.320 -0.002 0.000 0.209 177 K C 2.568 179.169 176.600 0.001 0.000 1.048 177 K CA 1.917 58.197 56.287 -0.011 0.000 0.930 177 K CB -0.335 32.155 32.500 -0.016 0.000 0.714 177 K HN 0.330 nan 8.250 nan 0.000 0.438 178 T N 1.330 115.894 114.554 0.018 0.000 2.746 178 T HA -0.139 4.210 4.350 -0.002 0.000 0.267 178 T C 2.028 176.727 174.700 -0.001 0.000 1.039 178 T CA 1.340 63.472 62.100 0.053 0.000 1.142 178 T CB -0.295 68.616 68.868 0.072 0.000 0.866 178 T HN 0.326 nan 8.240 nan 0.000 0.444 179 A N 0.834 123.629 122.820 -0.042 0.000 2.076 179 A HA -0.040 4.279 4.320 -0.002 0.000 0.220 179 A C 2.506 180.034 177.584 -0.094 0.000 1.160 179 A CA 1.178 53.150 52.037 -0.108 0.000 0.653 179 A CB -0.822 18.107 19.000 -0.117 0.000 0.801 179 A HN 0.395 nan 8.150 nan 0.000 0.455 180 V N -0.798 119.089 119.914 -0.045 0.000 2.446 180 V HA -0.098 4.021 4.120 -0.002 0.000 0.244 180 V C 2.971 179.050 176.094 -0.026 0.000 1.039 180 V CA 1.540 63.819 62.300 -0.035 0.000 1.045 180 V CB -0.905 30.906 31.823 -0.020 0.000 0.681 180 V HN 0.582 nan 8.190 nan 0.000 0.459 181 A N -0.097 122.720 122.820 -0.005 0.000 1.898 181 A HA -0.167 4.152 4.320 -0.002 0.000 0.216 181 A C 2.132 179.723 177.584 0.011 0.000 1.181 181 A CA 1.926 53.975 52.037 0.019 0.000 0.620 181 A CB -0.499 18.546 19.000 0.075 0.000 0.819 181 A HN 0.432 nan 8.150 nan 0.000 0.442 182 L N -0.041 121.169 121.223 -0.022 0.000 2.056 182 L HA -0.113 4.226 4.340 -0.002 0.000 0.207 182 L C 1.579 178.409 176.870 -0.068 0.000 1.078 182 L CA 2.319 57.121 54.840 -0.063 0.000 0.749 182 L CB -0.592 41.405 42.059 -0.103 0.000 0.901 182 L HN 0.297 nan 8.230 nan 0.000 0.433 183 D N -1.027 119.320 120.400 -0.090 0.000 2.144 183 D HA -0.161 4.478 4.640 -0.002 0.000 0.199 183 D C 2.039 178.325 176.300 -0.024 0.000 0.984 183 D CA 1.749 55.701 54.000 -0.080 0.000 0.834 183 D CB -0.217 40.528 40.800 -0.093 0.000 0.955 183 D HN 0.381 nan 8.370 nan 0.000 0.465 184 T N 1.016 115.564 114.554 -0.011 0.000 2.674 184 T HA -0.091 4.258 4.350 -0.002 0.000 0.265 184 T C 2.264 176.989 174.700 0.043 0.000 1.039 184 T CA 0.652 62.760 62.100 0.014 0.000 1.150 184 T CB -0.270 68.598 68.868 0.000 0.000 0.864 184 T HN 0.145 nan 8.240 nan 0.000 0.427 185 I N 0.958 121.556 120.570 0.047 0.000 2.118 185 I HA -0.194 3.975 4.170 -0.002 0.000 0.241 185 I C 2.390 178.612 176.117 0.174 0.000 1.070 185 I CA 1.354 62.720 61.300 0.109 0.000 1.327 185 I CB -0.538 37.503 38.000 0.069 0.000 1.034 185 I HN 0.189 nan 8.210 nan 0.000 0.405 186 L N 0.304 121.574 121.223 0.078 0.000 2.013 186 L HA -0.279 4.060 4.340 -0.002 0.000 0.212 186 L C 2.290 179.230 176.870 0.117 0.000 1.073 186 L CA 1.910 56.792 54.840 0.071 0.000 0.753 186 L CB -0.919 41.094 42.059 -0.077 0.000 0.890 186 L HN 0.359 nan 8.230 nan 0.000 0.432 187 N N -0.349 118.400 118.700 0.082 0.000 2.430 187 N HA -0.190 4.549 4.740 -0.002 0.000 0.186 187 N C 1.677 177.280 175.510 0.155 0.000 1.032 187 N CA 0.728 53.833 53.050 0.091 0.000 0.893 187 N CB 0.100 38.647 38.487 0.100 0.000 0.957 187 N HN 0.253 nan 8.380 nan 0.000 0.442 188 Q N 0.070 119.959 119.800 0.148 0.000 2.482 188 Q HA -0.035 4.304 4.340 -0.002 0.000 0.209 188 Q C 1.431 177.380 176.000 -0.085 0.000 0.961 188 Q CA 0.338 56.208 55.803 0.113 0.000 0.945 188 Q CB -0.062 28.584 28.738 -0.153 0.000 1.012 188 Q HN 0.493 nan 8.270 nan 0.000 0.515 189 K N 1.241 121.630 120.400 -0.019 0.000 2.160 189 K HA -0.140 4.179 4.320 -0.002 0.000 0.206 189 K C 1.675 178.160 176.600 -0.192 0.000 1.047 189 K CA 1.028 57.303 56.287 -0.021 0.000 0.930 189 K CB 0.143 32.683 32.500 0.067 0.000 0.720 189 K HN 0.141 nan 8.250 nan 0.000 0.450 190 R N -1.061 119.186 120.500 -0.422 0.000 2.241 190 R HA -0.125 4.214 4.340 -0.002 0.000 0.224 190 R C 1.279 177.026 176.300 -0.922 0.000 1.101 190 R CA 1.105 56.699 56.100 -0.843 0.000 0.995 190 R CB 0.019 29.417 30.300 -1.504 0.000 0.870 190 R HN 0.440 nan 8.270 nan 0.000 0.463 191 W N -1.126 120.079 121.300 -0.157 0.000 2.974 191 W HA 0.228 4.887 4.660 -0.002 0.000 0.250 191 W C 0.932 177.333 176.519 -0.197 0.000 1.074 191 W CA -0.595 56.654 57.345 -0.161 0.000 1.410 191 W CB -0.189 29.165 29.460 -0.176 0.000 0.846 191 W HN 0.011 nan 8.180 nan 0.000 0.680 192 N N 1.298 119.949 118.700 -0.081 0.000 2.512 192 N HA -0.089 4.650 4.740 -0.002 0.000 0.183 192 N C 0.875 176.339 175.510 -0.077 0.000 1.073 192 N CA 0.900 53.821 53.050 -0.215 0.000 0.911 192 N CB -0.332 37.804 38.487 -0.585 0.000 0.964 192 N HN 0.116 nan 8.380 nan 0.000 0.447 193 N N -0.264 118.406 118.700 -0.049 0.000 2.280 193 N HA 0.082 4.821 4.740 -0.002 0.000 0.192 193 N C 0.877 176.380 175.510 -0.013 0.000 1.109 193 N CA 0.046 53.086 53.050 -0.016 0.000 0.855 193 N CB 0.483 38.956 38.487 -0.023 0.000 0.974 193 N HN 0.099 nan 8.380 nan 0.000 0.482 194 G N -0.051 108.744 108.800 -0.009 0.000 2.588 194 G HA2 0.254 4.213 3.960 -0.002 0.000 0.281 194 G HA3 0.254 4.213 3.960 -0.002 0.000 0.281 194 G C 0.850 175.770 174.900 0.035 0.000 1.236 194 G CA -0.135 44.972 45.100 0.012 0.000 0.969 194 G HN 0.184 nan 8.290 nan 0.000 0.504 195 S N -1.357 114.367 115.700 0.040 0.000 2.503 195 S HA 0.029 4.498 4.470 -0.002 0.000 0.217 195 S C 0.617 175.256 174.600 0.065 0.000 0.999 195 S CA 0.251 58.482 58.200 0.052 0.000 0.914 195 S CB 0.119 63.344 63.200 0.042 0.000 0.782 195 S HN 0.484 nan 8.310 nan 0.000 0.520 196 D N 1.976 122.415 120.400 0.065 0.000 2.401 196 D HA 0.191 4.830 4.640 -0.002 0.000 0.254 196 D C 0.846 177.197 176.300 0.085 0.000 1.192 196 D CA 0.181 54.223 54.000 0.071 0.000 0.885 196 D CB 1.358 42.200 40.800 0.071 0.000 1.147 196 D HN 0.253 nan 8.370 nan 0.000 0.478 197 E N 1.680 121.940 120.200 0.100 0.000 2.042 197 E HA -0.131 4.218 4.350 -0.002 0.000 0.189 197 E C 1.881 178.576 176.600 0.159 0.000 0.974 197 E CA 1.419 57.908 56.400 0.148 0.000 0.806 197 E CB -0.122 29.671 29.700 0.155 0.000 0.769 197 E HN 0.469 nan 8.360 nan 0.000 0.451 198 S N 0.201 115.979 115.700 0.130 0.000 2.440 198 S HA -0.162 4.307 4.470 -0.002 0.000 0.238 198 S C 1.763 176.361 174.600 -0.002 0.000 1.010 198 S CA 1.082 59.374 58.200 0.154 0.000 0.972 198 S CB -0.256 63.009 63.200 0.108 0.000 0.774 198 S HN 0.150 nan 8.310 nan 0.000 0.501 199 K N 0.870 121.243 120.400 -0.045 0.000 2.305 199 K HA 0.152 4.471 4.320 -0.002 0.000 0.199 199 K C 0.475 176.933 176.600 -0.237 0.000 1.047 199 K CA 0.332 56.502 56.287 -0.195 0.000 0.976 199 K CB 0.066 32.517 32.500 -0.082 0.000 0.765 199 K HN 0.395 nan 8.250 nan 0.000 0.474 200 K N 1.230 121.581 120.400 -0.082 0.000 2.319 200 K HA 0.100 4.419 4.320 -0.002 0.000 0.265 200 K C -0.601 175.879 176.600 -0.200 0.000 1.000 200 K CA -0.125 56.067 56.287 -0.159 0.000 0.943 200 K CB 0.582 32.973 32.500 -0.181 0.000 0.950 200 K HN -0.128 nan 8.250 nan 0.000 0.485 201 L N 3.717 124.734 121.223 -0.344 0.000 2.415 201 L HA 0.275 4.614 4.340 -0.002 0.000 0.268 201 L C -1.627 175.038 176.870 -0.343 0.000 0.984 201 L CA -0.357 54.337 54.840 -0.244 0.000 0.853 201 L CB 0.667 42.590 42.059 -0.226 0.000 1.215 201 L HN 0.442 nan 8.230 nan 0.000 0.419 202 Y N 3.430 123.597 120.300 -0.222 0.000 2.359 202 Y HA 0.340 4.890 4.550 -0.002 0.000 0.334 202 Y C 0.472 176.244 175.900 -0.214 0.000 1.058 202 Y CA 0.002 57.917 58.100 -0.310 0.000 1.244 202 Y CB 0.787 38.734 38.460 -0.855 0.000 1.187 202 Y HN 0.487 nan 8.280 nan 0.000 0.510 203 C N 3.951 123.307 119.300 0.094 0.000 2.319 203 C HA 0.657 5.116 4.460 -0.002 0.000 0.335 203 C C -0.170 174.859 174.990 0.064 0.000 1.274 203 C CA -1.066 58.004 59.018 0.086 0.000 1.806 203 C CB 0.203 28.045 27.740 0.170 0.000 2.329 203 C HN 0.558 nan 8.230 nan 0.000 0.524 204 V N 4.022 123.957 119.914 0.035 0.000 2.407 204 V HA 0.327 4.446 4.120 -0.002 0.000 0.291 204 V C -0.941 175.170 176.094 0.028 0.000 1.018 204 V CA -0.553 61.770 62.300 0.038 0.000 0.842 204 V CB 1.106 32.939 31.823 0.016 0.000 0.996 204 V HN 0.799 nan 8.190 nan 0.000 0.426 205 Y N 5.091 125.353 120.300 -0.063 0.000 2.352 205 Y HA 0.712 5.261 4.550 -0.002 0.000 0.339 205 Y C -0.494 175.370 175.900 -0.060 0.000 0.992 205 Y CA -0.753 57.301 58.100 -0.077 0.000 1.100 205 Y CB 1.939 40.368 38.460 -0.052 0.000 1.192 205 Y HN 0.390 nan 8.280 nan 0.000 0.458 206 V N 6.105 125.678 119.914 -0.568 0.000 2.313 206 V HA 0.622 4.741 4.120 -0.002 0.000 0.278 206 V C -0.118 175.715 176.094 -0.435 0.000 1.017 206 V CA -0.811 61.289 62.300 -0.333 0.000 0.823 206 V CB 0.782 32.501 31.823 -0.172 0.000 1.010 206 V HN 0.947 nan 8.190 nan 0.000 0.443 207 A N 5.203 127.920 122.820 -0.172 0.000 2.316 207 A HA 0.700 5.019 4.320 -0.002 0.000 0.311 207 A C -0.339 177.228 177.584 -0.029 0.000 1.339 207 A CA -0.308 51.698 52.037 -0.052 0.000 0.960 207 A CB 0.412 19.495 19.000 0.139 0.000 1.152 207 A HN 0.692 nan 8.150 nan 0.000 0.547 208 V N 2.789 122.677 119.914 -0.045 0.000 2.378 208 V HA 0.613 4.732 4.120 -0.002 0.000 0.288 208 V C 1.195 177.297 176.094 0.013 0.000 1.016 208 V CA 0.591 62.882 62.300 -0.014 0.000 0.840 208 V CB 0.636 32.437 31.823 -0.036 0.000 0.994 208 V HN 1.713 nan 8.190 nan 0.000 0.431 209 G N 3.947 112.768 108.800 0.034 0.000 2.179 209 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.260 209 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.260 209 G C 0.227 175.153 174.900 0.043 0.000 0.977 209 G CA 0.269 45.395 45.100 0.044 0.000 0.641 209 G HN 0.645 nan 8.290 nan 0.000 0.533 210 Q N 0.711 120.538 119.800 0.045 0.000 2.394 210 Q HA 0.417 4.756 4.340 -0.002 0.000 0.248 210 Q C 0.803 176.833 176.000 0.049 0.000 0.992 210 Q CA 0.212 56.047 55.803 0.052 0.000 0.888 210 Q CB 0.644 29.427 28.738 0.074 0.000 1.257 210 Q HN 0.679 nan 8.270 nan 0.000 0.462 211 K N 0.956 121.382 120.400 0.045 0.000 2.168 211 K HA 0.162 4.481 4.320 -0.002 0.000 0.258 211 K C 0.392 177.016 176.600 0.040 0.000 1.010 211 K CA -0.455 55.855 56.287 0.039 0.000 0.929 211 K CB 1.043 33.563 32.500 0.033 0.000 0.998 211 K HN 0.452 nan 8.250 nan 0.000 0.479 212 R N 0.596 121.116 120.500 0.034 0.000 2.073 212 R HA -0.162 4.178 4.340 -0.002 0.000 0.234 212 R C 2.542 178.859 176.300 0.028 0.000 1.134 212 R CA 2.076 58.195 56.100 0.032 0.000 0.952 212 R CB -0.465 29.852 30.300 0.027 0.000 0.850 212 R HN 0.961 nan 8.270 nan 0.000 0.433 213 S N -0.119 115.595 115.700 0.024 0.000 2.407 213 S HA -0.194 4.275 4.470 -0.002 0.000 0.235 213 S C 1.858 176.470 174.600 0.021 0.000 1.036 213 S CA 1.993 60.204 58.200 0.019 0.000 1.013 213 S CB -0.480 62.730 63.200 0.018 0.000 0.820 213 S HN 0.249 nan 8.310 nan 0.000 0.476 214 T N 1.753 116.324 114.554 0.029 0.000 2.812 214 T HA 0.045 4.394 4.350 -0.002 0.000 0.264 214 T C 1.880 176.598 174.700 0.030 0.000 1.042 214 T CA 1.356 63.476 62.100 0.032 0.000 1.140 214 T CB -0.423 68.471 68.868 0.042 0.000 0.870 214 T HN 0.359 nan 8.240 nan 0.000 0.445 215 V N 1.818 121.756 119.914 0.041 0.000 2.427 215 V HA -0.094 4.025 4.120 -0.002 0.000 0.248 215 V C 2.884 178.983 176.094 0.008 0.000 1.051 215 V CA 1.426 63.751 62.300 0.041 0.000 1.048 215 V CB -1.310 30.554 31.823 0.069 0.000 0.666 215 V HN 0.485 nan 8.190 nan 0.000 0.456 216 A N 0.138 122.964 122.820 0.010 0.000 1.865 216 A HA -0.332 3.987 4.320 -0.002 0.000 0.217 216 A C 2.230 179.807 177.584 -0.011 0.000 1.191 216 A CA 2.360 54.397 52.037 -0.001 0.000 0.623 216 A CB -0.676 18.326 19.000 0.004 0.000 0.826 216 A HN 0.516 nan 8.150 nan 0.000 0.444 217 Q N -0.486 119.311 119.800 -0.005 0.000 2.181 217 Q HA -0.118 4.221 4.340 -0.002 0.000 0.205 217 Q C 1.802 177.791 176.000 -0.019 0.000 0.980 217 Q CA 1.807 57.606 55.803 -0.007 0.000 0.862 217 Q CB -0.495 28.247 28.738 0.007 0.000 0.905 217 Q HN 0.662 nan 8.270 nan 0.000 0.429 218 L N -0.726 120.475 121.223 -0.037 0.000 2.044 218 L HA -0.067 4.272 4.340 -0.002 0.000 0.205 218 L C 2.169 178.983 176.870 -0.093 0.000 1.075 218 L CA 1.373 56.163 54.840 -0.083 0.000 0.747 218 L CB -0.423 41.532 42.059 -0.173 0.000 0.903 218 L HN 0.270 nan 8.230 nan 0.000 0.435 219 V N -2.456 117.408 119.914 -0.083 0.000 2.594 219 V HA -0.281 3.838 4.120 -0.002 0.000 0.253 219 V C 2.239 178.300 176.094 -0.055 0.000 1.069 219 V CA 1.966 64.222 62.300 -0.073 0.000 1.082 219 V CB -1.056 30.737 31.823 -0.051 0.000 0.680 219 V HN 0.677 nan 8.190 nan 0.000 0.469 220 Q N 0.150 119.924 119.800 -0.043 0.000 2.224 220 Q HA -0.152 4.187 4.340 -0.002 0.000 0.203 220 Q C 2.233 178.211 176.000 -0.037 0.000 0.970 220 Q CA 2.166 57.945 55.803 -0.039 0.000 0.865 220 Q CB -0.104 28.614 28.738 -0.033 0.000 0.922 220 Q HN 0.796 nan 8.270 nan 0.000 0.445 221 T N 0.984 115.523 114.554 -0.026 0.000 2.770 221 T HA -0.022 4.327 4.350 -0.002 0.000 0.258 221 T C 1.886 176.620 174.700 0.056 0.000 1.039 221 T CA 0.560 62.670 62.100 0.017 0.000 1.143 221 T CB -0.151 68.738 68.868 0.036 0.000 0.866 221 T HN 0.212 nan 8.240 nan 0.000 0.428 222 L N 0.759 121.971 121.223 -0.019 0.000 2.043 222 L HA -0.177 4.162 4.340 -0.002 0.000 0.212 222 L C 2.731 179.569 176.870 -0.053 0.000 1.075 222 L CA 1.558 56.364 54.840 -0.057 0.000 0.752 222 L CB -0.520 41.463 42.059 -0.126 0.000 0.891 222 L HN 0.339 nan 8.230 nan 0.000 0.432 223 E N -0.207 119.960 120.200 -0.055 0.000 2.058 223 E HA -0.273 4.076 4.350 -0.002 0.000 0.194 223 E C 2.249 178.817 176.600 -0.053 0.000 0.997 223 E CA 1.299 57.664 56.400 -0.058 0.000 0.801 223 E CB -0.000 29.667 29.700 -0.054 0.000 0.746 223 E HN 0.456 nan 8.360 nan 0.000 0.450 224 Q N -0.730 119.036 119.800 -0.057 0.000 2.291 224 Q HA -0.128 4.211 4.340 -0.002 0.000 0.206 224 Q C 1.102 176.976 176.000 -0.210 0.000 0.976 224 Q CA 0.800 56.525 55.803 -0.131 0.000 0.875 224 Q CB 0.108 28.744 28.738 -0.170 0.000 0.927 224 Q HN 0.433 nan 8.270 nan 0.000 0.450 225 H N -0.243 118.781 119.070 -0.076 0.000 2.520 225 H HA 0.023 4.578 4.556 -0.002 0.000 0.284 225 H C -0.297 175.003 175.328 -0.046 0.000 1.037 225 H CA 0.010 56.026 56.048 -0.052 0.000 1.168 225 H CB 0.451 30.196 29.762 -0.028 0.000 1.497 225 H HN 0.168 nan 8.280 nan 0.000 0.547 226 D N 0.959 121.363 120.400 0.007 0.000 2.735 226 D HA -0.184 4.455 4.640 -0.002 0.000 0.235 226 D C 0.628 176.895 176.300 -0.055 0.000 1.175 226 D CA 0.722 54.710 54.000 -0.019 0.000 0.683 226 D CB -0.958 39.843 40.800 0.002 0.000 1.008 226 D HN 0.571 nan 8.370 nan 0.000 0.416 227 A N 0.539 123.252 122.820 -0.178 0.000 2.548 227 A HA 0.161 4.480 4.320 -0.002 0.000 0.236 227 A C 1.693 178.853 177.584 -0.707 0.000 1.246 227 A CA 0.649 52.372 52.037 -0.522 0.000 0.993 227 A CB 0.099 18.939 19.000 -0.267 0.000 1.209 227 A HN 0.269 nan 8.150 nan 0.000 0.570 228 M N 1.597 120.986 119.600 -0.352 0.000 2.175 228 M HA -0.055 4.424 4.480 -0.002 0.000 0.264 228 M C 1.950 178.113 176.300 -0.227 0.000 1.063 228 M CA 2.006 57.155 55.300 -0.250 0.000 1.119 228 M CB -0.574 31.947 32.600 -0.132 0.000 1.377 228 M HN 0.457 nan 8.290 nan 0.000 0.415 229 K N -0.384 119.897 120.400 -0.198 0.000 2.281 229 K HA -0.185 4.134 4.320 -0.002 0.000 0.203 229 K C 0.718 177.349 176.600 0.051 0.000 1.046 229 K CA 1.747 58.004 56.287 -0.049 0.000 0.938 229 K CB -0.835 31.671 32.500 0.009 0.000 0.737 229 K HN 0.615 nan 8.250 nan 0.000 0.458 230 Y N -0.677 119.640 120.300 0.028 0.000 2.612 230 Y HA 0.497 5.046 4.550 -0.002 0.000 0.250 230 Y C -0.384 175.534 175.900 0.030 0.000 1.175 230 Y CA -1.193 56.926 58.100 0.030 0.000 1.205 230 Y CB 0.237 38.637 38.460 -0.101 0.000 1.201 230 Y HN -0.134 nan 8.280 nan 0.000 0.532 231 S N 1.290 116.974 115.700 -0.026 0.000 2.537 231 S HA 0.711 5.180 4.470 -0.002 0.000 0.301 231 S C -0.685 173.942 174.600 0.044 0.000 1.092 231 S CA -0.595 57.610 58.200 0.009 0.000 1.048 231 S CB 1.722 64.862 63.200 -0.100 0.000 1.053 231 S HN 0.250 nan 8.310 nan 0.000 0.501 232 I N 2.720 123.334 120.570 0.073 0.000 2.406 232 I HA 0.408 4.577 4.170 -0.002 0.000 0.290 232 I C -0.851 175.311 176.117 0.075 0.000 0.999 232 I CA -0.585 60.760 61.300 0.075 0.000 1.124 232 I CB 1.342 39.406 38.000 0.106 0.000 1.289 232 I HN 0.374 nan 8.210 nan 0.000 0.441 233 I N 6.955 127.564 120.570 0.064 0.000 2.339 233 I HA 0.357 4.526 4.170 -0.002 0.000 0.290 233 I C -0.270 175.889 176.117 0.070 0.000 0.994 233 I CA -0.658 60.697 61.300 0.093 0.000 1.191 233 I CB 1.436 39.482 38.000 0.077 0.000 1.343 233 I HN 0.161 nan 8.210 nan 0.000 0.458 234 V N 5.907 125.861 119.914 0.068 0.000 2.378 234 V HA 0.727 4.846 4.120 -0.002 0.000 0.288 234 V C 0.220 176.333 176.094 0.032 0.000 1.016 234 V CA -0.495 61.825 62.300 0.034 0.000 0.840 234 V CB 1.532 33.365 31.823 0.017 0.000 0.994 234 V HN 0.875 nan 8.190 nan 0.000 0.431 235 A N 4.239 127.079 122.820 0.034 0.000 2.359 235 A HA 0.926 5.246 4.320 -0.002 0.000 0.303 235 A C -0.284 177.316 177.584 0.028 0.000 1.066 235 A CA -0.362 51.698 52.037 0.039 0.000 0.730 235 A CB 1.667 20.706 19.000 0.065 0.000 1.211 235 A HN 1.278 nan 8.150 nan 0.000 0.439 236 A N 2.552 125.388 122.820 0.026 0.000 2.323 236 A HA 0.698 5.017 4.320 -0.002 0.000 0.305 236 A C 0.372 177.982 177.584 0.044 0.000 1.275 236 A CA 0.116 52.175 52.037 0.036 0.000 0.804 236 A CB 0.046 19.071 19.000 0.042 0.000 1.152 236 A HN 1.461 nan 8.150 nan 0.000 0.487 237 T N -0.867 113.715 114.554 0.046 0.000 2.849 237 T HA 0.582 4.931 4.350 -0.002 0.000 0.276 237 T C 1.562 176.292 174.700 0.048 0.000 0.971 237 T CA 0.071 62.198 62.100 0.046 0.000 0.949 237 T CB 1.100 69.994 68.868 0.043 0.000 1.093 237 T HN 1.214 nan 8.240 nan 0.000 0.545 238 A N 0.986 123.833 122.820 0.045 0.000 1.958 238 A HA -0.128 4.191 4.320 -0.002 0.000 0.221 238 A C 2.505 180.115 177.584 0.043 0.000 1.178 238 A CA 2.511 54.575 52.037 0.044 0.000 0.642 238 A CB -1.638 17.386 19.000 0.039 0.000 0.816 238 A HN 1.099 nan 8.150 nan 0.000 0.453 239 S N -0.110 115.614 115.700 0.040 0.000 2.461 239 S HA 0.005 4.474 4.470 -0.002 0.000 0.228 239 S C 0.606 175.232 174.600 0.043 0.000 1.005 239 S CA 0.282 58.504 58.200 0.037 0.000 0.942 239 S CB -0.234 62.985 63.200 0.032 0.000 0.776 239 S HN 0.698 nan 8.310 nan 0.000 0.514 240 E N 1.572 121.804 120.200 0.053 0.000 2.373 240 E HA 0.521 4.870 4.350 -0.002 0.000 0.263 240 E C -0.058 176.591 176.600 0.081 0.000 1.073 240 E CA -0.383 56.058 56.400 0.067 0.000 0.894 240 E CB 0.622 30.366 29.700 0.073 0.000 1.008 240 E HN 0.385 nan 8.360 nan 0.000 0.420 241 A N 1.824 124.701 122.820 0.095 0.000 2.567 241 A HA 0.130 4.449 4.320 -0.002 0.000 0.240 241 A C 1.356 179.019 177.584 0.131 0.000 1.053 241 A CA 0.691 52.787 52.037 0.098 0.000 0.755 241 A CB 0.144 19.209 19.000 0.108 0.000 0.978 241 A HN 0.814 nan 8.150 nan 0.000 0.507 242 A N 4.350 127.231 122.820 0.102 0.000 1.927 242 A HA -0.131 4.188 4.320 -0.002 0.000 0.220 242 A C -0.130 177.578 177.584 0.207 0.000 1.185 242 A CA 2.247 54.362 52.037 0.130 0.000 0.639 242 A CB -1.665 17.388 19.000 0.088 0.000 0.820 242 A HN 0.655 nan 8.150 nan 0.000 0.451 243 P HA -0.093 nan 4.420 nan 0.000 0.222 243 P C 1.329 178.954 177.300 0.542 0.000 1.147 243 P CA 0.730 64.024 63.100 0.323 0.000 0.790 243 P CB -0.096 31.650 31.700 0.076 0.000 0.780 244 L N -0.900 120.583 121.223 0.434 0.000 2.109 244 L HA -0.161 4.178 4.340 -0.002 0.000 0.207 244 L C 2.570 179.560 176.870 0.200 0.000 1.086 244 L CA 1.390 56.412 54.840 0.303 0.000 0.760 244 L CB -0.814 41.372 42.059 0.211 0.000 0.910 244 L HN 0.028 nan 8.230 nan 0.000 0.437 245 Q N -0.934 118.984 119.800 0.197 0.000 2.123 245 Q HA -0.236 4.103 4.340 -0.002 0.000 0.199 245 Q C 2.114 178.200 176.000 0.143 0.000 0.966 245 Q CA 1.619 57.504 55.803 0.137 0.000 0.845 245 Q CB -0.424 28.393 28.738 0.131 0.000 0.907 245 Q HN 0.511 nan 8.270 nan 0.000 0.439 246 Y N 1.486 121.860 120.300 0.124 0.000 2.165 246 Y HA -0.241 4.308 4.550 -0.002 0.000 0.286 246 Y C 1.955 177.939 175.900 0.140 0.000 1.155 246 Y CA 1.258 59.440 58.100 0.136 0.000 1.164 246 Y CB -0.170 38.413 38.460 0.205 0.000 0.978 246 Y HN 0.067 nan 8.280 nan 0.000 0.513 247 L N 0.429 121.691 121.223 0.065 0.000 2.209 247 L HA 0.150 4.489 4.340 -0.002 0.000 0.207 247 L C 2.565 179.414 176.870 -0.034 0.000 1.094 247 L CA 1.572 56.429 54.840 0.028 0.000 0.790 247 L CB -1.149 41.062 42.059 0.254 0.000 0.932 247 L HN 0.296 nan 8.230 nan 0.000 0.447 248 A N 0.612 123.405 122.820 -0.045 0.000 1.903 248 A HA -0.199 4.120 4.320 -0.002 0.000 0.219 248 A C -0.087 177.431 177.584 -0.110 0.000 1.191 248 A CA 2.369 54.372 52.037 -0.057 0.000 0.638 248 A CB -2.111 16.869 19.000 -0.033 0.000 0.823 248 A HN 0.408 nan 8.150 nan 0.000 0.451 249 P HA -0.092 nan 4.420 nan 0.000 0.217 249 P C 0.956 178.098 177.300 -0.263 0.000 1.150 249 P CA 0.941 63.865 63.100 -0.292 0.000 0.832 249 P CB -0.175 31.098 31.700 -0.712 0.000 0.787 250 F N -0.090 119.766 119.950 -0.156 0.000 2.206 250 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 250 F C 2.372 178.138 175.800 -0.056 0.000 1.090 250 F CA 1.762 59.679 58.000 -0.139 0.000 1.323 250 F CB -2.063 36.804 39.000 -0.220 0.000 1.028 250 F HN -0.023 nan 8.300 nan 0.000 0.492 251 T N -2.007 112.616 114.554 0.115 0.000 2.857 251 T HA -0.006 4.343 4.350 -0.002 0.000 0.266 251 T C 2.224 176.962 174.700 0.063 0.000 1.048 251 T CA 0.842 62.984 62.100 0.069 0.000 1.139 251 T CB -0.866 68.018 68.868 0.027 0.000 0.874 251 T HN 0.173 nan 8.240 nan 0.000 0.455 252 A N 2.044 124.898 122.820 0.058 0.000 1.933 252 A HA 0.288 4.607 4.320 -0.002 0.000 0.218 252 A C 2.797 180.438 177.584 0.094 0.000 1.175 252 A CA 1.852 53.926 52.037 0.062 0.000 0.628 252 A CB -1.417 17.607 19.000 0.039 0.000 0.814 252 A HN 0.703 nan 8.150 nan 0.000 0.444 253 A N -0.110 122.794 122.820 0.139 0.000 1.859 253 A HA -0.152 4.167 4.320 -0.002 0.000 0.217 253 A C 2.436 180.096 177.584 0.128 0.000 1.198 253 A CA 2.330 54.461 52.037 0.157 0.000 0.629 253 A CB -1.190 17.921 19.000 0.186 0.000 0.830 253 A HN 0.512 nan 8.150 nan 0.000 0.446 254 S N -0.111 115.656 115.700 0.112 0.000 2.387 254 S HA -0.183 4.286 4.470 -0.002 0.000 0.230 254 S C 1.761 176.429 174.600 0.114 0.000 1.035 254 S CA 1.655 59.913 58.200 0.097 0.000 1.014 254 S CB -0.597 62.646 63.200 0.072 0.000 0.836 254 S HN 0.512 nan 8.310 nan 0.000 0.466 255 I N 1.432 122.069 120.570 0.112 0.000 2.226 255 I HA -0.134 4.035 4.170 -0.002 0.000 0.245 255 I C 2.704 178.979 176.117 0.263 0.000 1.100 255 I CA 1.224 62.602 61.300 0.132 0.000 1.374 255 I CB -0.752 37.311 38.000 0.105 0.000 1.057 255 I HN 0.385 nan 8.210 nan 0.000 0.413 256 G N -0.064 108.888 108.800 0.254 0.000 2.408 256 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.217 256 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.217 256 G C 1.514 176.613 174.900 0.332 0.000 1.150 256 G CA 0.433 45.731 45.100 0.332 0.000 0.776 256 G HN 0.396 nan 8.290 nan 0.000 0.542 257 E N -0.734 119.587 120.200 0.202 0.000 2.204 257 E HA -0.140 4.209 4.350 -0.002 0.000 0.195 257 E C 1.926 178.578 176.600 0.086 0.000 0.990 257 E CA 0.431 56.905 56.400 0.123 0.000 0.821 257 E CB -0.181 29.568 29.700 0.083 0.000 0.750 257 E HN 0.667 nan 8.360 nan 0.000 0.477 258 W N 0.797 122.043 121.300 -0.089 0.000 2.318 258 W HA -0.268 4.391 4.660 -0.002 0.000 0.313 258 W C 1.535 177.873 176.519 -0.301 0.000 1.221 258 W CA 1.743 58.937 57.345 -0.252 0.000 1.266 258 W CB -0.395 28.808 29.460 -0.427 0.000 1.150 258 W HN -0.012 nan 8.180 nan 0.000 0.496 259 F N 0.263 120.293 119.950 0.133 0.000 2.069 259 F HA -0.189 4.337 4.527 -0.001 0.000 0.298 259 F C 2.779 178.434 175.800 -0.242 0.000 1.113 259 F CA 2.298 60.242 58.000 -0.092 0.000 1.214 259 F CB -1.466 37.551 39.000 0.029 0.000 0.978 259 F HN -0.182 nan 8.300 nan 0.000 0.474 260 R N 0.674 121.196 120.500 0.037 0.000 2.083 260 R HA -0.202 4.137 4.340 -0.002 0.000 0.237 260 R C 1.705 177.906 176.300 -0.164 0.000 1.137 260 R CA 2.292 58.347 56.100 -0.074 0.000 0.951 260 R CB -0.585 29.709 30.300 -0.010 0.000 0.851 260 R HN 0.181 nan 8.270 nan 0.000 0.434 261 D N 0.223 120.504 120.400 -0.197 0.000 2.218 261 D HA -0.086 4.553 4.640 -0.002 0.000 0.204 261 D C 0.427 176.522 176.300 -0.341 0.000 0.976 261 D CA 0.979 54.835 54.000 -0.240 0.000 0.853 261 D CB -0.117 40.546 40.800 -0.228 0.000 0.939 261 D HN 0.269 nan 8.370 nan 0.000 0.481 262 N N -0.333 118.057 118.700 -0.517 0.000 2.458 262 N HA 0.221 4.960 4.740 -0.002 0.000 0.274 262 N C 0.762 176.042 175.510 -0.384 0.000 1.242 262 N CA 0.294 53.008 53.050 -0.559 0.000 0.904 262 N CB 1.259 39.142 38.487 -1.008 0.000 1.206 262 N HN 0.106 nan 8.380 nan 0.000 0.510 263 G N 0.842 109.474 108.800 -0.281 0.000 2.155 263 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.257 263 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.257 263 G C 0.234 175.006 174.900 -0.213 0.000 0.983 263 G CA 0.643 45.615 45.100 -0.212 0.000 0.676 263 G HN 0.353 nan 8.290 nan 0.000 0.528 264 K N -0.594 119.676 120.400 -0.217 0.000 2.354 264 K HA 0.777 5.096 4.320 -0.002 0.000 0.238 264 K C -0.038 176.398 176.600 -0.273 0.000 1.068 264 K CA -0.930 55.310 56.287 -0.079 0.000 0.925 264 K CB 0.938 33.528 32.500 0.149 0.000 1.286 264 K HN 0.309 nan 8.250 nan 0.000 0.500 265 H N -0.574 118.609 119.070 0.188 0.000 2.600 265 H HA 0.603 5.158 4.556 -0.002 0.000 0.357 265 H C -1.217 174.176 175.328 0.108 0.000 1.106 265 H CA -0.898 55.211 56.048 0.102 0.000 1.193 265 H CB 2.019 31.783 29.762 0.004 0.000 1.594 265 H HN 0.643 nan 8.280 nan 0.000 0.526 266 A N 3.071 125.977 122.820 0.143 0.000 2.414 266 A HA 0.496 4.815 4.320 -0.002 0.000 0.306 266 A C -1.240 176.357 177.584 0.022 0.000 1.054 266 A CA -0.691 51.365 52.037 0.032 0.000 0.724 266 A CB 1.780 20.806 19.000 0.042 0.000 1.267 266 A HN 0.515 nan 8.150 nan 0.000 0.418 267 L N 2.609 123.821 121.223 -0.018 0.000 2.317 267 L HA 0.839 5.178 4.340 -0.002 0.000 0.281 267 L C -0.822 176.004 176.870 -0.073 0.000 1.024 267 L CA -0.436 54.379 54.840 -0.041 0.000 0.810 267 L CB 1.155 43.189 42.059 -0.041 0.000 1.240 267 L HN 0.691 nan 8.230 nan 0.000 0.427 268 I N 4.946 125.427 120.570 -0.148 0.000 2.509 268 I HA 0.581 4.750 4.170 -0.002 0.000 0.293 268 I C -1.385 174.470 176.117 -0.436 0.000 1.020 268 I CA -0.732 60.390 61.300 -0.296 0.000 1.088 268 I CB 1.965 39.731 38.000 -0.391 0.000 1.267 268 I HN 0.422 nan 8.210 nan 0.000 0.430 269 V N 7.891 127.547 119.914 -0.429 0.000 2.350 269 V HA 0.313 4.432 4.120 -0.002 0.000 0.285 269 V C -1.162 174.602 176.094 -0.551 0.000 1.014 269 V CA -0.453 61.618 62.300 -0.383 0.000 0.831 269 V CB 1.036 32.786 31.823 -0.122 0.000 1.000 269 V HN 0.493 nan 8.190 nan 0.000 0.433 270 Y N 2.545 122.689 120.300 -0.261 0.000 2.594 270 Y HA 0.458 5.007 4.550 -0.002 0.000 0.342 270 Y C 0.385 176.101 175.900 -0.307 0.000 1.010 270 Y CA -0.910 57.007 58.100 -0.305 0.000 1.270 270 Y CB 0.603 38.894 38.460 -0.282 0.000 1.125 270 Y HN 0.528 nan 8.280 nan 0.000 0.513 271 D N 3.726 123.962 120.400 -0.274 0.000 2.462 271 D HA 0.205 4.844 4.640 -0.002 0.000 0.249 271 D C -1.358 174.859 176.300 -0.139 0.000 1.117 271 D CA -0.421 53.444 54.000 -0.226 0.000 0.900 271 D CB 0.250 40.849 40.800 -0.335 0.000 1.039 271 D HN 0.677 nan 8.370 nan 0.000 0.516 272 D N 0.491 120.842 120.400 -0.080 0.000 2.596 272 D HA 0.213 4.852 4.640 -0.002 0.000 0.234 272 D C 0.974 177.219 176.300 -0.092 0.000 1.181 272 D CA -0.736 53.215 54.000 -0.082 0.000 0.856 272 D CB 1.139 41.906 40.800 -0.054 0.000 1.498 272 D HN 0.056 nan 8.370 nan 0.000 0.446 273 L N 0.433 121.561 121.223 -0.159 0.000 2.376 273 L HA -0.063 4.276 4.340 -0.002 0.000 0.219 273 L C 1.855 178.672 176.870 -0.089 0.000 1.133 273 L CA 0.596 55.289 54.840 -0.244 0.000 0.816 273 L CB -0.396 41.299 42.059 -0.606 0.000 0.933 273 L HN 0.450 nan 8.230 nan 0.000 0.449 274 S N 0.363 116.033 115.700 -0.050 0.000 2.359 274 S HA -0.231 4.238 4.470 -0.002 0.000 0.223 274 S C 1.971 176.626 174.600 0.091 0.000 1.039 274 S CA 1.564 59.784 58.200 0.033 0.000 1.042 274 S CB -0.105 63.111 63.200 0.027 0.000 0.915 274 S HN 0.392 nan 8.310 nan 0.000 0.439 275 K N 0.845 121.283 120.400 0.062 0.000 2.097 275 K HA -0.065 4.255 4.320 -0.002 0.000 0.205 275 K C 2.484 179.151 176.600 0.113 0.000 1.050 275 K CA 0.839 57.176 56.287 0.083 0.000 0.938 275 K CB -0.148 32.383 32.500 0.052 0.000 0.718 275 K HN 0.336 nan 8.250 nan 0.000 0.442 276 Q N 0.640 120.494 119.800 0.090 0.000 2.061 276 Q HA -0.197 4.142 4.340 -0.002 0.000 0.204 276 Q C 2.073 178.220 176.000 0.244 0.000 0.984 276 Q CA 1.778 57.653 55.803 0.120 0.000 0.846 276 Q CB -0.130 28.619 28.738 0.019 0.000 0.902 276 Q HN 0.345 nan 8.270 nan 0.000 0.421 277 A N -0.018 122.971 122.820 0.282 0.000 1.940 277 A HA -0.148 4.171 4.320 -0.002 0.000 0.219 277 A C 2.214 180.061 177.584 0.438 0.000 1.176 277 A CA 1.617 53.858 52.037 0.341 0.000 0.631 277 A CB -0.704 18.415 19.000 0.199 0.000 0.814 277 A HN 0.312 nan 8.150 nan 0.000 0.446 278 V N -0.204 119.917 119.914 0.345 0.000 2.343 278 V HA -0.252 3.867 4.120 -0.002 0.000 0.247 278 V C 3.022 179.222 176.094 0.176 0.000 1.051 278 V CA 1.917 64.362 62.300 0.242 0.000 1.036 278 V CB -1.304 30.617 31.823 0.163 0.000 0.654 278 V HN 0.623 nan 8.190 nan 0.000 0.451 279 A N -0.641 122.303 122.820 0.207 0.000 1.877 279 A HA -0.260 4.059 4.320 -0.002 0.000 0.216 279 A C 2.217 179.951 177.584 0.249 0.000 1.186 279 A CA 1.982 54.141 52.037 0.202 0.000 0.620 279 A CB -0.811 18.326 19.000 0.227 0.000 0.822 279 A HN 0.598 nan 8.150 nan 0.000 0.443 280 Y N 0.674 121.089 120.300 0.192 0.000 2.207 280 Y HA -0.190 4.359 4.550 -0.002 0.000 0.287 280 Y C 2.396 178.346 175.900 0.082 0.000 1.156 280 Y CA 1.829 60.023 58.100 0.157 0.000 1.182 280 Y CB -0.565 38.060 38.460 0.275 0.000 0.979 280 Y HN 0.360 nan 8.280 nan 0.000 0.521 281 R N 0.098 120.608 120.500 0.017 0.000 2.096 281 R HA -0.206 4.133 4.340 -0.002 0.000 0.235 281 R C 2.461 178.688 176.300 -0.123 0.000 1.127 281 R CA 1.702 57.718 56.100 -0.140 0.000 0.968 281 R CB -0.315 29.884 30.300 -0.168 0.000 0.861 281 R HN 0.541 nan 8.270 nan 0.000 0.440 282 Q N 0.342 120.116 119.800 -0.043 0.000 1.993 282 Q HA -0.199 4.140 4.340 -0.002 0.000 0.202 282 Q C 2.047 178.017 176.000 -0.050 0.000 0.984 282 Q CA 1.720 57.501 55.803 -0.037 0.000 0.837 282 Q CB -0.100 28.640 28.738 0.004 0.000 0.902 282 Q HN 0.268 nan 8.270 nan 0.000 0.423 283 L N 0.402 121.604 121.223 -0.036 0.000 1.997 283 L HA -0.342 3.997 4.340 -0.002 0.000 0.227 283 L C 2.599 179.412 176.870 -0.094 0.000 1.087 283 L CA 2.305 57.106 54.840 -0.065 0.000 0.797 283 L CB -1.104 40.911 42.059 -0.073 0.000 0.902 283 L HN 0.160 nan 8.230 nan 0.000 0.441 284 S N -1.174 114.433 115.700 -0.155 0.000 2.368 284 S HA -0.118 4.351 4.470 -0.002 0.000 0.225 284 S C 1.947 176.481 174.600 -0.110 0.000 1.030 284 S CA 1.252 59.353 58.200 -0.164 0.000 0.999 284 S CB -0.326 62.700 63.200 -0.290 0.000 0.844 284 S HN 0.289 nan 8.310 nan 0.000 0.459 285 L N 0.798 121.957 121.223 -0.107 0.000 2.056 285 L HA -0.070 4.270 4.340 -0.002 0.000 0.207 285 L C 2.115 178.950 176.870 -0.058 0.000 1.078 285 L CA 1.039 55.831 54.840 -0.080 0.000 0.749 285 L CB -0.448 41.562 42.059 -0.083 0.000 0.901 285 L HN 0.308 nan 8.230 nan 0.000 0.433 286 L N -0.857 120.333 121.223 -0.055 0.000 2.156 286 L HA -0.162 4.177 4.340 -0.002 0.000 0.208 286 L C 2.299 179.147 176.870 -0.037 0.000 1.095 286 L CA 0.714 55.529 54.840 -0.042 0.000 0.770 286 L CB -0.318 41.717 42.059 -0.040 0.000 0.914 286 L HN 0.244 nan 8.230 nan 0.000 0.439 287 L N -0.234 120.964 121.223 -0.043 0.000 2.456 287 L HA -0.065 4.274 4.340 -0.002 0.000 0.224 287 L C 0.716 177.570 176.870 -0.027 0.000 1.148 287 L CA 0.427 55.247 54.840 -0.033 0.000 0.825 287 L CB -0.279 41.757 42.059 -0.038 0.000 0.937 287 L HN 0.297 nan 8.230 nan 0.000 0.450 288 R N 0.028 120.508 120.500 -0.033 0.000 3.531 288 R HA -0.157 4.182 4.340 -0.002 0.000 0.280 288 R C -0.227 176.058 176.300 -0.025 0.000 1.130 288 R CA 0.311 56.394 56.100 -0.027 0.000 0.757 288 R CB -1.873 28.417 30.300 -0.018 0.000 1.218 288 R HN 0.381 nan 8.270 nan 0.000 0.454 289 R N 2.012 122.492 120.500 -0.034 0.000 2.248 289 R HA 0.164 4.503 4.340 -0.002 0.000 0.328 289 R C -1.810 174.471 176.300 -0.031 0.000 1.067 289 R CA -1.556 54.527 56.100 -0.028 0.000 0.924 289 R CB 0.527 30.806 30.300 -0.035 0.000 1.013 289 R HN 0.009 nan 8.270 nan 0.000 0.454 290 P HA 0.033 nan 4.420 nan 0.000 0.263 290 P C -2.343 174.948 177.300 -0.015 0.000 1.195 290 P CA -0.867 62.223 63.100 -0.016 0.000 0.762 290 P CB 0.172 31.867 31.700 -0.008 0.000 0.799 291 P HA 0.300 nan 4.420 nan 0.000 0.277 291 P C 0.440 177.746 177.300 0.010 0.000 1.271 291 P CA -0.120 62.971 63.100 -0.015 0.000 0.795 291 P CB 0.727 32.407 31.700 -0.034 0.000 1.101 292 G N -0.473 108.353 108.800 0.043 0.000 3.099 292 G HA2 0.301 4.260 3.960 -0.002 0.000 0.151 292 G HA3 0.301 4.260 3.960 -0.002 0.000 0.151 292 G C -0.490 174.433 174.900 0.039 0.000 1.265 292 G CA -0.688 44.443 45.100 0.051 0.000 0.981 292 G HN 0.542 nan 8.290 nan 0.000 0.601 293 R N 0.780 121.281 120.500 0.002 0.000 2.640 293 R HA 0.048 4.387 4.340 -0.002 0.000 0.270 293 R C 0.140 176.475 176.300 0.058 0.000 1.024 293 R CA 0.684 56.712 56.100 -0.120 0.000 1.085 293 R CB -0.129 29.855 30.300 -0.526 0.000 0.963 293 R HN 0.716 nan 8.270 nan 0.000 0.426 294 E N 2.203 122.423 120.200 0.033 0.000 2.450 294 E HA -0.350 3.999 4.350 -0.002 0.000 0.244 294 E C 0.467 177.056 176.600 -0.019 0.000 1.226 294 E CA 0.543 57.004 56.400 0.102 0.000 0.720 294 E CB -1.139 28.748 29.700 0.310 0.000 1.254 294 E HN 0.837 nan 8.360 nan 0.000 0.399 295 A N -2.484 120.320 122.820 -0.026 0.000 3.661 295 A HA -0.327 3.992 4.320 -0.002 0.000 0.269 295 A C 0.314 177.830 177.584 -0.115 0.000 1.056 295 A CA 1.822 53.801 52.037 -0.097 0.000 1.159 295 A CB -1.996 16.910 19.000 -0.156 0.000 1.105 295 A HN 0.451 nan 8.150 nan 0.000 0.907 296 Y N 0.129 120.474 120.300 0.075 0.000 2.426 296 Y HA 0.379 4.928 4.550 -0.002 0.000 0.344 296 Y C -1.446 174.461 175.900 0.011 0.000 1.256 296 Y CA -1.018 57.118 58.100 0.061 0.000 1.451 296 Y CB -0.110 38.469 38.460 0.199 0.000 1.342 296 Y HN 0.152 nan 8.280 nan 0.000 0.600 297 P HA -0.054 nan 4.420 nan 0.000 0.267 297 P C 0.654 178.050 177.300 0.159 0.000 1.200 297 P CA 0.671 63.775 63.100 0.006 0.000 0.772 297 P CB 0.626 32.189 31.700 -0.228 0.000 0.855 298 G N 2.164 111.043 108.800 0.132 0.000 2.462 298 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.220 298 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.220 298 G C 0.638 175.663 174.900 0.209 0.000 1.121 298 G CA 0.649 45.844 45.100 0.157 0.000 0.758 298 G HN 0.640 nan 8.290 nan 0.000 0.559 299 D N 0.296 120.842 120.400 0.243 0.000 2.427 299 D HA 0.097 4.736 4.640 -0.002 0.000 0.224 299 D C 1.711 178.237 176.300 0.376 0.000 1.157 299 D CA -0.384 53.805 54.000 0.315 0.000 0.828 299 D CB 0.222 41.216 40.800 0.322 0.000 0.974 299 D HN 0.103 nan 8.370 nan 0.000 0.498 300 V N 0.156 120.259 119.914 0.316 0.000 2.720 300 V HA -0.182 3.937 4.120 -0.002 0.000 0.256 300 V C 1.672 177.765 176.094 -0.001 0.000 1.082 300 V CA 1.297 63.718 62.300 0.202 0.000 1.101 300 V CB -0.864 31.000 31.823 0.070 0.000 0.693 300 V HN 0.291 nan 8.190 nan 0.000 0.479 301 F N -0.221 119.715 119.950 -0.022 0.000 2.163 301 F HA -0.132 4.394 4.527 -0.002 0.000 0.297 301 F C 2.090 177.923 175.800 0.054 0.000 1.094 301 F CA 2.019 60.005 58.000 -0.023 0.000 1.290 301 F CB -0.584 38.438 39.000 0.037 0.000 1.017 301 F HN 0.313 nan 8.300 nan 0.000 0.483 302 Y N 0.966 121.292 120.300 0.043 0.000 2.207 302 Y HA -0.219 4.330 4.550 -0.002 0.000 0.287 302 Y C 2.172 177.997 175.900 -0.125 0.000 1.156 302 Y CA 1.688 59.754 58.100 -0.057 0.000 1.182 302 Y CB -0.865 37.655 38.460 0.101 0.000 0.979 302 Y HN 0.263 nan 8.280 nan 0.000 0.521 303 L N -0.084 121.028 121.223 -0.185 0.000 1.997 303 L HA -0.331 4.008 4.340 -0.002 0.000 0.216 303 L C 2.157 178.882 176.870 -0.242 0.000 1.074 303 L CA 2.648 57.323 54.840 -0.275 0.000 0.763 303 L CB -0.853 41.004 42.059 -0.337 0.000 0.890 303 L HN 0.404 nan 8.230 nan 0.000 0.434 304 H N -1.805 117.094 119.070 -0.285 0.000 2.415 304 H HA -0.010 4.545 4.556 -0.002 0.000 0.297 304 H C 2.391 177.478 175.328 -0.401 0.000 1.048 304 H CA 0.793 56.625 56.048 -0.360 0.000 1.365 304 H CB 0.017 29.574 29.762 -0.341 0.000 1.421 304 H HN 0.566 nan 8.280 nan 0.000 0.533 305 S N 1.666 117.110 115.700 -0.426 0.000 2.368 305 S HA -0.218 4.251 4.470 -0.002 0.000 0.225 305 S C 2.114 176.567 174.600 -0.245 0.000 1.030 305 S CA 1.194 59.130 58.200 -0.440 0.000 0.999 305 S CB -0.218 62.536 63.200 -0.744 0.000 0.844 305 S HN 0.541 nan 8.310 nan 0.000 0.459 306 R N 0.812 121.122 120.500 -0.318 0.000 2.115 306 R HA 0.130 4.469 4.340 -0.002 0.000 0.226 306 R C 2.373 178.600 176.300 -0.121 0.000 1.100 306 R CA 1.139 57.088 56.100 -0.251 0.000 0.980 306 R CB -0.789 29.195 30.300 -0.527 0.000 0.875 306 R HN 0.448 nan 8.270 nan 0.000 0.445 307 L N 1.343 122.518 121.223 -0.079 0.000 1.994 307 L HA -0.069 4.271 4.340 -0.002 0.000 0.208 307 L C 2.042 178.855 176.870 -0.095 0.000 1.071 307 L CA 1.692 56.498 54.840 -0.056 0.000 0.745 307 L CB -0.198 41.690 42.059 -0.286 0.000 0.892 307 L HN 0.236 nan 8.230 nan 0.000 0.431 308 L N -0.701 120.446 121.223 -0.128 0.000 2.492 308 L HA 0.008 4.347 4.340 -0.002 0.000 0.223 308 L C 2.221 179.080 176.870 -0.018 0.000 1.132 308 L CA 0.177 54.982 54.840 -0.059 0.000 0.850 308 L CB -0.512 41.493 42.059 -0.089 0.000 0.966 308 L HN 0.274 nan 8.230 nan 0.000 0.454 309 E N 0.566 120.748 120.200 -0.029 0.000 2.418 309 E HA -0.095 4.254 4.350 -0.002 0.000 0.197 309 E C 1.910 178.519 176.600 0.014 0.000 1.026 309 E CA 0.479 56.878 56.400 -0.002 0.000 0.862 309 E CB 0.157 29.857 29.700 -0.001 0.000 0.799 309 E HN 0.494 nan 8.360 nan 0.000 0.518 310 R N 0.379 120.892 120.500 0.022 0.000 2.236 310 R HA 0.114 4.453 4.340 -0.002 0.000 0.208 310 R C 0.855 177.183 176.300 0.048 0.000 1.036 310 R CA 0.295 56.419 56.100 0.038 0.000 1.001 310 R CB 0.220 30.553 30.300 0.056 0.000 0.896 310 R HN -0.099 nan 8.270 nan 0.000 0.464 311 A N 1.315 124.166 122.820 0.052 0.000 2.354 311 A HA 0.653 4.972 4.320 -0.002 0.000 0.281 311 A C -0.276 177.327 177.584 0.032 0.000 1.174 311 A CA -0.107 51.959 52.037 0.047 0.000 0.828 311 A CB 0.498 19.529 19.000 0.052 0.000 1.099 311 A HN 0.280 nan 8.150 nan 0.000 0.516 312 A N 2.388 125.225 122.820 0.029 0.000 2.601 312 A HA 0.710 5.029 4.320 -0.002 0.000 0.291 312 A C -0.839 176.760 177.584 0.024 0.000 1.075 312 A CA -0.768 51.284 52.037 0.024 0.000 0.671 312 A CB 0.998 20.010 19.000 0.021 0.000 1.277 312 A HN 0.888 nan 8.150 nan 0.000 0.417 313 K N 1.248 121.665 120.400 0.028 0.000 2.263 313 K HA 0.675 4.994 4.320 -0.002 0.000 0.272 313 K C -1.132 175.484 176.600 0.026 0.000 1.033 313 K CA -0.177 56.130 56.287 0.034 0.000 0.884 313 K CB 0.297 32.827 32.500 0.050 0.000 1.107 313 K HN 0.584 nan 8.250 nan 0.000 0.460 314 L N 3.026 124.253 121.223 0.007 0.000 2.439 314 L HA 0.313 4.652 4.340 -0.002 0.000 0.261 314 L C 0.614 177.488 176.870 0.008 0.000 1.153 314 L CA -0.532 54.306 54.840 -0.004 0.000 0.808 314 L CB 1.292 43.331 42.059 -0.033 0.000 1.126 314 L HN 0.924 nan 8.230 nan 0.000 0.460 315 S N -0.139 115.563 115.700 0.002 0.000 2.617 315 S HA 0.067 4.536 4.470 -0.002 0.000 0.259 315 S C 0.809 175.410 174.600 0.000 0.000 1.301 315 S CA -0.503 57.701 58.200 0.006 0.000 0.984 315 S CB 0.838 64.038 63.200 0.001 0.000 0.954 315 S HN 0.673 nan 8.310 nan 0.000 0.572 316 E N 0.516 120.718 120.200 0.003 0.000 2.051 316 E HA -0.167 4.182 4.350 -0.002 0.000 0.192 316 E C 1.875 178.467 176.600 -0.013 0.000 0.991 316 E CA 1.078 57.477 56.400 -0.002 0.000 0.799 316 E CB -0.195 29.505 29.700 -0.000 0.000 0.748 316 E HN 0.718 nan 8.360 nan 0.000 0.449 317 K N 0.574 120.965 120.400 -0.014 0.000 2.442 317 K HA -0.143 4.176 4.320 -0.002 0.000 0.199 317 K C 0.822 177.405 176.600 -0.029 0.000 1.044 317 K CA 0.974 57.250 56.287 -0.019 0.000 0.941 317 K CB 0.284 32.774 32.500 -0.015 0.000 0.759 317 K HN -0.024 nan 8.250 nan 0.000 0.472 318 E N -1.040 119.140 120.200 -0.032 0.000 2.603 318 E HA 0.115 4.464 4.350 -0.002 0.000 0.211 318 E C 0.476 177.037 176.600 -0.066 0.000 0.995 318 E CA 0.448 56.819 56.400 -0.049 0.000 0.990 318 E CB 1.161 30.835 29.700 -0.043 0.000 1.036 318 E HN 0.397 nan 8.360 nan 0.000 0.475 319 G N 1.713 110.481 108.800 -0.054 0.000 2.147 319 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.244 319 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.244 319 G C 0.622 175.483 174.900 -0.064 0.000 1.005 319 G CA 0.484 45.546 45.100 -0.064 0.000 0.713 319 G HN 0.122 nan 8.290 nan 0.000 0.515 320 S N -2.017 113.661 115.700 -0.037 0.000 3.225 320 S HA -0.204 4.265 4.470 -0.002 0.000 0.308 320 S C 1.814 176.367 174.600 -0.078 0.000 1.270 320 S CA 1.819 60.012 58.200 -0.011 0.000 1.011 320 S CB -1.204 62.022 63.200 0.043 0.000 1.138 320 S HN 2.262 nan 8.310 nan 0.000 0.661 321 G N 0.984 109.682 108.800 -0.171 0.000 2.636 321 G HA2 0.475 4.434 3.960 -0.002 0.000 0.246 321 G HA3 0.475 4.434 3.960 -0.002 0.000 0.246 321 G C -0.130 174.644 174.900 -0.210 0.000 1.216 321 G CA 0.449 45.353 45.100 -0.327 0.000 0.854 321 G HN 1.157 nan 8.290 nan 0.000 0.572 322 S N -0.357 115.207 115.700 -0.226 0.000 2.536 322 S HA 0.587 5.056 4.470 -0.002 0.000 0.271 322 S C -1.345 173.281 174.600 0.043 0.000 1.134 322 S CA -0.849 57.351 58.200 -0.001 0.000 0.897 322 S CB 1.929 65.228 63.200 0.166 0.000 1.094 322 S HN 0.925 nan 8.310 nan 0.000 0.473 323 L N 2.430 123.680 121.223 0.044 0.000 2.333 323 L HA 0.778 5.117 4.340 -0.002 0.000 0.280 323 L C -0.746 176.141 176.870 0.029 0.000 1.004 323 L CA 0.240 55.110 54.840 0.049 0.000 0.820 323 L CB 2.062 44.155 42.059 0.057 0.000 1.247 323 L HN 0.920 nan 8.230 nan 0.000 0.416 324 T N 4.456 119.016 114.554 0.009 0.000 2.792 324 T HA 0.801 5.150 4.350 -0.002 0.000 0.280 324 T C -0.476 174.198 174.700 -0.043 0.000 0.990 324 T CA -0.383 61.709 62.100 -0.014 0.000 0.960 324 T CB 1.467 70.318 68.868 -0.028 0.000 0.939 324 T HN 0.765 nan 8.240 nan 0.000 0.439 325 A N 3.681 126.481 122.820 -0.033 0.000 2.288 325 A HA 0.757 5.076 4.320 -0.002 0.000 0.320 325 A C -0.403 177.146 177.584 -0.059 0.000 1.217 325 A CA -0.728 51.273 52.037 -0.060 0.000 0.840 325 A CB 0.384 19.422 19.000 0.064 0.000 1.179 325 A HN 0.878 nan 8.150 nan 0.000 0.504 326 L N 5.030 126.187 121.223 -0.110 0.000 2.371 326 L HA 0.343 4.682 4.340 -0.002 0.000 0.262 326 L C -2.292 174.535 176.870 -0.071 0.000 1.054 326 L CA -1.740 53.053 54.840 -0.078 0.000 0.924 326 L CB 1.369 43.385 42.059 -0.072 0.000 1.295 326 L HN 0.497 nan 8.230 nan 0.000 0.441 327 P HA 0.208 nan 4.420 nan 0.000 0.278 327 P C -0.516 176.742 177.300 -0.070 0.000 1.238 327 P CA -0.262 62.848 63.100 0.017 0.000 0.794 327 P CB 2.265 33.963 31.700 -0.005 0.000 0.955 328 V N 4.290 124.155 119.914 -0.082 0.000 2.547 328 V HA 0.427 4.546 4.120 -0.002 0.000 0.299 328 V C 0.421 176.451 176.094 -0.107 0.000 1.040 328 V CA -0.605 61.642 62.300 -0.088 0.000 0.913 328 V CB 1.651 33.434 31.823 -0.065 0.000 0.992 328 V HN 0.443 nan 8.190 nan 0.000 0.449 329 I N 3.048 123.557 120.570 -0.101 0.000 2.582 329 I HA 0.445 4.614 4.170 -0.002 0.000 0.292 329 I C -0.216 175.874 176.117 -0.046 0.000 1.066 329 I CA -0.492 60.755 61.300 -0.088 0.000 1.053 329 I CB 2.189 40.124 38.000 -0.108 0.000 1.241 329 I HN 0.790 nan 8.210 nan 0.000 0.421 330 E N 4.071 124.262 120.200 -0.016 0.000 2.175 330 E HA 0.494 4.843 4.350 -0.002 0.000 0.278 330 E C -0.621 176.001 176.600 0.037 0.000 0.969 330 E CA -0.399 56.009 56.400 0.012 0.000 0.796 330 E CB 1.315 31.027 29.700 0.020 0.000 1.104 330 E HN 0.696 nan 8.360 nan 0.000 0.395 331 T N 1.692 116.278 114.554 0.053 0.000 2.944 331 T HA 0.385 4.734 4.350 -0.002 0.000 0.284 331 T C -0.227 174.515 174.700 0.071 0.000 1.010 331 T CA -1.041 61.105 62.100 0.076 0.000 1.025 331 T CB 1.507 70.438 68.868 0.104 0.000 1.079 331 T HN 0.361 nan 8.240 nan 0.000 0.516 332 Q N 0.414 120.260 119.800 0.076 0.000 2.341 332 Q HA 0.475 4.814 4.340 -0.002 0.000 0.268 332 Q C 0.716 176.755 176.000 0.065 0.000 1.013 332 Q CA -0.182 55.661 55.803 0.067 0.000 0.798 332 Q CB 1.384 30.163 28.738 0.068 0.000 1.253 332 Q HN 1.351 nan 8.270 nan 0.000 0.457 333 G N 1.736 110.571 108.800 0.059 0.000 2.295 333 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.287 333 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.287 333 G C 0.819 175.755 174.900 0.059 0.000 1.055 333 G CA 0.810 45.943 45.100 0.055 0.000 0.922 333 G HN 1.237 nan 8.290 nan 0.000 0.503 334 G N -0.750 108.093 108.800 0.071 0.000 2.180 334 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.263 334 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.263 334 G C 0.357 175.304 174.900 0.079 0.000 0.989 334 G CA 1.021 46.168 45.100 0.078 0.000 0.692 334 G HN 1.305 nan 8.290 nan 0.000 0.526 335 D N 0.590 121.039 120.400 0.081 0.000 2.441 335 D HA 0.345 4.984 4.640 -0.002 0.000 0.243 335 D C 1.945 178.311 176.300 0.111 0.000 1.257 335 D CA 0.466 54.517 54.000 0.084 0.000 1.027 335 D CB 0.365 41.212 40.800 0.079 0.000 1.084 335 D HN 0.578 nan 8.370 nan 0.000 0.514 336 V N 0.827 120.818 119.914 0.129 0.000 2.970 336 V HA -0.056 4.063 4.120 -0.002 0.000 0.260 336 V C 1.600 177.780 176.094 0.144 0.000 1.100 336 V CA 0.991 63.402 62.300 0.186 0.000 1.122 336 V CB -0.184 31.799 31.823 0.266 0.000 0.721 336 V HN 0.268 nan 8.190 nan 0.000 0.483 337 S N 0.793 116.558 115.700 0.108 0.000 2.603 337 S HA 0.509 4.978 4.470 -0.002 0.000 0.220 337 S C 1.290 175.958 174.600 0.114 0.000 0.967 337 S CA 0.383 58.642 58.200 0.099 0.000 0.920 337 S CB -0.323 62.920 63.200 0.072 0.000 0.773 337 S HN 0.942 nan 8.310 nan 0.000 0.529 338 A N 0.909 123.802 122.820 0.122 0.000 2.455 338 A HA 0.212 4.531 4.320 -0.002 0.000 0.244 338 A C 0.985 178.685 177.584 0.192 0.000 1.099 338 A CA -0.039 52.087 52.037 0.148 0.000 0.786 338 A CB -0.218 18.864 19.000 0.137 0.000 1.051 338 A HN 0.342 nan 8.150 nan 0.000 0.508 339 Y N 0.736 121.071 120.300 0.060 0.000 2.036 339 Y HA -0.208 4.341 4.550 -0.002 0.000 0.273 339 Y C 1.965 177.875 175.900 0.017 0.000 1.135 339 Y CA 2.218 60.341 58.100 0.038 0.000 1.106 339 Y CB -0.337 38.150 38.460 0.045 0.000 0.976 339 Y HN 0.464 nan 8.280 nan 0.000 0.483 340 I N 0.628 121.077 120.570 -0.202 0.000 2.315 340 I HA -0.153 4.016 4.170 -0.002 0.000 0.248 340 I C -0.474 175.595 176.117 -0.080 0.000 1.117 340 I CA 1.052 62.176 61.300 -0.294 0.000 1.404 340 I CB -2.807 35.016 38.000 -0.296 0.000 1.071 340 I HN 0.198 nan 8.210 nan 0.000 0.419 341 P HA -0.140 nan 4.420 nan 0.000 0.215 341 P C 1.889 179.221 177.300 0.055 0.000 1.157 341 P CA 1.880 64.998 63.100 0.030 0.000 0.874 341 P CB -0.169 31.577 31.700 0.076 0.000 0.790 342 T N -0.637 113.967 114.554 0.082 0.000 2.684 342 T HA -0.165 4.184 4.350 -0.002 0.000 0.267 342 T C 1.593 176.361 174.700 0.113 0.000 1.036 342 T CA 1.616 63.779 62.100 0.106 0.000 1.148 342 T CB -0.985 67.959 68.868 0.128 0.000 0.863 342 T HN 0.113 nan 8.240 nan 0.000 0.436 343 N N 0.977 119.741 118.700 0.108 0.000 2.007 343 N HA -0.100 4.639 4.740 -0.002 0.000 0.197 343 N C 1.962 177.605 175.510 0.221 0.000 1.050 343 N CA 1.114 54.312 53.050 0.247 0.000 0.856 343 N CB -1.037 37.575 38.487 0.208 0.000 1.050 343 N HN 0.209 nan 8.380 nan 0.000 0.423 344 V N 1.386 121.352 119.914 0.086 0.000 2.490 344 V HA -0.132 3.987 4.120 -0.002 0.000 0.250 344 V C 2.226 178.327 176.094 0.013 0.000 1.061 344 V CA 1.011 63.312 62.300 0.002 0.000 1.064 344 V CB -0.474 31.291 31.823 -0.097 0.000 0.670 344 V HN 0.243 nan 8.190 nan 0.000 0.461 345 I N 1.183 121.775 120.570 0.037 0.000 2.226 345 I HA -0.229 3.940 4.170 -0.002 0.000 0.245 345 I C 2.546 178.710 176.117 0.077 0.000 1.100 345 I CA 1.923 63.249 61.300 0.043 0.000 1.374 345 I CB -0.367 37.681 38.000 0.080 0.000 1.057 345 I HN 0.482 nan 8.210 nan 0.000 0.413 346 S N 0.179 115.952 115.700 0.123 0.000 2.561 346 S HA 0.049 4.518 4.470 -0.002 0.000 0.225 346 S C 1.729 176.431 174.600 0.170 0.000 0.977 346 S CA 0.378 58.669 58.200 0.151 0.000 0.926 346 S CB -0.452 62.855 63.200 0.177 0.000 0.769 346 S HN 0.410 nan 8.310 nan 0.000 0.533 347 I N 2.055 122.701 120.570 0.128 0.000 2.385 347 I HA 0.010 4.179 4.170 -0.002 0.000 0.244 347 I C 1.801 177.935 176.117 0.028 0.000 1.089 347 I CA 0.850 62.186 61.300 0.060 0.000 1.410 347 I CB -0.727 37.242 38.000 -0.052 0.000 1.117 347 I HN 0.390 nan 8.210 nan 0.000 0.429 348 T N -1.527 113.031 114.554 0.007 0.000 2.726 348 T HA 0.023 4.373 4.350 -0.002 0.000 0.294 348 T C 0.424 175.133 174.700 0.014 0.000 1.013 348 T CA -0.351 61.747 62.100 -0.003 0.000 0.996 348 T CB 0.565 69.416 68.868 -0.029 0.000 1.016 348 T HN 0.092 nan 8.240 nan 0.000 0.529 349 D N 0.460 120.865 120.400 0.008 0.000 2.460 349 D HA 0.392 5.031 4.640 -0.002 0.000 0.229 349 D C 0.874 177.184 176.300 0.016 0.000 1.170 349 D CA 0.369 54.378 54.000 0.016 0.000 0.827 349 D CB -0.203 40.605 40.800 0.013 0.000 0.973 349 D HN 0.997 nan 8.370 nan 0.000 0.496 350 G N 0.553 109.361 108.800 0.013 0.000 2.326 350 G HA2 0.140 4.099 3.960 -0.002 0.000 0.413 350 G HA3 0.140 4.099 3.960 -0.002 0.000 0.413 350 G C -1.691 173.198 174.900 -0.018 0.000 1.444 350 G CA -1.046 44.063 45.100 0.015 0.000 1.002 350 G HN 0.014 nan 8.290 nan 0.000 0.649 351 Q N -0.715 119.074 119.800 -0.017 0.000 2.359 351 Q HA 0.719 5.058 4.340 -0.002 0.000 0.274 351 Q C -0.330 175.624 176.000 -0.076 0.000 1.074 351 Q CA -0.564 55.168 55.803 -0.119 0.000 0.810 351 Q CB 2.642 31.227 28.738 -0.254 0.000 1.342 351 Q HN 0.657 nan 8.270 nan 0.000 0.427 352 I N 2.026 122.518 120.570 -0.129 0.000 2.321 352 I HA 0.381 4.550 4.170 -0.002 0.000 0.291 352 I C -0.884 175.163 176.117 -0.117 0.000 0.998 352 I CA -0.512 60.758 61.300 -0.050 0.000 1.227 352 I CB 0.579 38.562 38.000 -0.029 0.000 1.368 352 I HN 0.440 nan 8.210 nan 0.000 0.466 353 F N 6.837 126.800 119.950 0.022 0.000 2.388 353 F HA 0.491 5.017 4.527 -0.001 0.000 0.358 353 F C -0.153 175.666 175.800 0.031 0.000 1.122 353 F CA -0.417 57.598 58.000 0.026 0.000 1.056 353 F CB 1.144 40.163 39.000 0.030 0.000 1.155 353 F HN 0.180 nan 8.300 nan 0.000 0.461 354 L N 4.326 125.685 121.223 0.228 0.000 2.309 354 L HA 0.528 4.867 4.340 -0.002 0.000 0.282 354 L C -0.411 176.558 176.870 0.164 0.000 1.036 354 L CA -0.615 54.320 54.840 0.158 0.000 0.806 354 L CB 1.562 43.675 42.059 0.091 0.000 1.220 354 L HN 0.492 nan 8.230 nan 0.000 0.429 355 E N 1.115 121.399 120.200 0.140 0.000 2.224 355 E HA 0.344 4.693 4.350 -0.002 0.000 0.265 355 E C 0.108 176.788 176.600 0.133 0.000 0.878 355 E CA -0.485 55.991 56.400 0.126 0.000 0.759 355 E CB 2.343 32.109 29.700 0.109 0.000 1.164 355 E HN 0.741 nan 8.360 nan 0.000 0.414 356 A N 2.976 125.872 122.820 0.126 0.000 1.940 356 A HA -0.221 4.099 4.320 -0.002 0.000 0.219 356 A C 1.866 179.618 177.584 0.281 0.000 1.176 356 A CA 1.441 53.577 52.037 0.165 0.000 0.631 356 A CB -0.216 18.899 19.000 0.191 0.000 0.814 356 A HN 0.728 nan 8.150 nan 0.000 0.446 357 E N -0.201 120.131 120.200 0.221 0.000 2.160 357 E HA -0.174 4.175 4.350 -0.002 0.000 0.195 357 E C 1.878 178.590 176.600 0.186 0.000 0.991 357 E CA 1.174 57.700 56.400 0.209 0.000 0.810 357 E CB -0.147 29.631 29.700 0.130 0.000 0.742 357 E HN 0.697 nan 8.360 nan 0.000 0.466 358 L N -0.517 120.796 121.223 0.151 0.000 2.095 358 L HA -0.076 4.263 4.340 -0.002 0.000 0.204 358 L C 2.403 179.323 176.870 0.083 0.000 1.080 358 L CA 0.456 55.362 54.840 0.109 0.000 0.759 358 L CB -0.461 41.654 42.059 0.094 0.000 0.914 358 L HN 0.118 nan 8.230 nan 0.000 0.439 359 F N 0.327 120.229 119.950 -0.079 0.000 2.091 359 F HA -0.322 4.204 4.527 -0.002 0.000 0.299 359 F C 2.098 177.728 175.800 -0.282 0.000 1.103 359 F CA 1.834 59.687 58.000 -0.245 0.000 1.228 359 F CB -0.171 38.562 39.000 -0.445 0.000 0.984 359 F HN -0.004 nan 8.300 nan 0.000 0.477 360 Y N -0.420 120.013 120.300 0.221 0.000 2.511 360 Y HA 0.096 4.646 4.550 -0.001 0.000 0.279 360 Y C 1.891 177.819 175.900 0.047 0.000 1.157 360 Y CA 0.461 58.641 58.100 0.133 0.000 1.300 360 Y CB -0.476 38.082 38.460 0.162 0.000 1.052 360 Y HN -0.033 nan 8.280 nan 0.000 0.529 361 K N -0.551 119.932 120.400 0.138 0.000 2.487 361 K HA 0.156 4.475 4.320 -0.002 0.000 0.192 361 K C 1.318 177.929 176.600 0.018 0.000 1.027 361 K CA 0.696 57.031 56.287 0.081 0.000 1.054 361 K CB 0.026 32.572 32.500 0.077 0.000 0.824 361 K HN 0.420 nan 8.250 nan 0.000 0.510 362 G N 1.326 110.095 108.800 -0.053 0.000 2.195 362 G HA2 -0.225 3.735 3.960 -0.002 0.000 0.224 362 G HA3 -0.225 3.735 3.960 -0.002 0.000 0.224 362 G C 0.123 174.936 174.900 -0.145 0.000 0.990 362 G CA -0.471 44.560 45.100 -0.116 0.000 0.639 362 G HN 0.193 nan 8.290 nan 0.000 0.514 363 I N 1.876 122.382 120.570 -0.106 0.000 2.347 363 I HA 0.440 4.609 4.170 -0.002 0.000 0.294 363 I C 0.610 176.652 176.117 -0.126 0.000 1.090 363 I CA 0.101 61.356 61.300 -0.075 0.000 1.314 363 I CB 0.446 38.444 38.000 -0.004 0.000 1.423 363 I HN 0.083 nan 8.210 nan 0.000 0.503 364 R N 7.445 127.862 120.500 -0.139 0.000 2.533 364 R HA 0.387 4.726 4.340 -0.002 0.000 0.288 364 R C -2.680 173.579 176.300 -0.069 0.000 1.039 364 R CA -1.748 54.269 56.100 -0.140 0.000 0.909 364 R CB 1.698 31.818 30.300 -0.299 0.000 1.195 364 R HN 0.250 nan 8.270 nan 0.000 0.438 365 P HA -0.058 nan 4.420 nan 0.000 0.264 365 P C -0.252 177.069 177.300 0.034 0.000 1.183 365 P CA 0.048 63.156 63.100 0.013 0.000 0.763 365 P CB 0.773 32.481 31.700 0.013 0.000 0.807 366 A N 4.815 127.688 122.820 0.088 0.000 2.900 366 A HA 0.130 4.449 4.320 -0.002 0.000 0.246 366 A C 0.813 178.458 177.584 0.101 0.000 1.725 366 A CA -0.273 51.827 52.037 0.104 0.000 1.400 366 A CB -1.512 17.601 19.000 0.189 0.000 0.973 366 A HN 0.483 nan 8.150 nan 0.000 0.635 367 I N 1.086 121.704 120.570 0.081 0.000 2.416 367 I HA 0.032 4.201 4.170 -0.002 0.000 0.288 367 I C 0.550 176.729 176.117 0.103 0.000 1.051 367 I CA -0.399 60.959 61.300 0.096 0.000 1.375 367 I CB 0.585 38.629 38.000 0.074 0.000 1.407 367 I HN 0.331 nan 8.210 nan 0.000 0.516 368 N N 6.627 125.406 118.700 0.133 0.000 2.415 368 N HA 0.069 4.808 4.740 -0.002 0.000 0.250 368 N C 0.755 176.329 175.510 0.107 0.000 1.127 368 N CA -0.004 53.109 53.050 0.105 0.000 0.945 368 N CB 1.324 39.857 38.487 0.077 0.000 1.196 368 N HN 0.430 nan 8.380 nan 0.000 0.499 369 V N 3.739 123.707 119.914 0.090 0.000 2.343 369 V HA -0.163 3.956 4.120 -0.002 0.000 0.247 369 V C 2.427 178.569 176.094 0.079 0.000 1.051 369 V CA 2.181 64.533 62.300 0.087 0.000 1.036 369 V CB -0.987 30.888 31.823 0.087 0.000 0.654 369 V HN 0.729 nan 8.190 nan 0.000 0.451 370 G N -0.266 108.571 108.800 0.061 0.000 2.469 370 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.219 370 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.219 370 G C 1.583 176.499 174.900 0.027 0.000 1.150 370 G CA 1.130 46.253 45.100 0.038 0.000 0.763 370 G HN 0.489 nan 8.290 nan 0.000 0.561 371 L N 0.436 121.666 121.223 0.012 0.000 2.416 371 L HA 0.205 4.544 4.340 -0.002 0.000 0.216 371 L C 1.025 178.014 176.870 0.199 0.000 1.098 371 L CA -0.113 54.726 54.840 -0.002 0.000 0.840 371 L CB 0.202 42.074 42.059 -0.313 0.000 0.981 371 L HN 0.003 nan 8.230 nan 0.000 0.462 372 S N 0.127 115.953 115.700 0.210 0.000 2.528 372 S HA 0.418 4.887 4.470 -0.002 0.000 0.277 372 S C -0.244 174.436 174.600 0.134 0.000 1.297 372 S CA -0.466 57.864 58.200 0.217 0.000 1.052 372 S CB 1.331 64.632 63.200 0.169 0.000 0.917 372 S HN 0.109 nan 8.310 nan 0.000 0.492 373 V N 0.548 120.531 119.914 0.115 0.000 3.130 373 V HA 0.922 5.041 4.120 -0.002 0.000 0.310 373 V C -0.513 175.612 176.094 0.051 0.000 1.158 373 V CA -0.771 61.575 62.300 0.076 0.000 1.029 373 V CB 2.109 33.977 31.823 0.075 0.000 1.057 373 V HN 0.654 nan 8.190 nan 0.000 0.436 374 S N 1.013 116.737 115.700 0.039 0.000 2.746 374 S HA 0.473 4.942 4.470 -0.002 0.000 0.273 374 S C 0.703 175.318 174.600 0.025 0.000 1.172 374 S CA -0.657 57.557 58.200 0.024 0.000 1.116 374 S CB 1.067 64.276 63.200 0.015 0.000 1.057 374 S HN 0.843 nan 8.310 nan 0.000 0.483 375 R N 2.343 122.859 120.500 0.027 0.000 2.127 375 R HA -0.066 4.273 4.340 -0.002 0.000 0.238 375 R C 1.784 178.099 176.300 0.025 0.000 1.134 375 R CA 1.501 57.618 56.100 0.029 0.000 0.975 375 R CB -0.434 29.885 30.300 0.031 0.000 0.865 375 R HN 0.565 nan 8.270 nan 0.000 0.447 376 V N 0.488 120.413 119.914 0.020 0.000 2.453 376 V HA -0.201 3.918 4.120 -0.002 0.000 0.252 376 V C 1.633 177.738 176.094 0.019 0.000 1.068 376 V CA 1.714 64.025 62.300 0.018 0.000 1.070 376 V CB -1.183 30.646 31.823 0.009 0.000 0.664 376 V HN 0.757 nan 8.190 nan 0.000 0.461 377 G N 0.481 109.292 108.800 0.019 0.000 2.552 377 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.265 377 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.265 377 G C 0.684 175.594 174.900 0.017 0.000 1.234 377 G CA 0.579 45.691 45.100 0.021 0.000 0.944 377 G HN 1.153 nan 8.290 nan 0.000 0.568 378 S N 0.206 115.917 115.700 0.020 0.000 2.803 378 S HA 0.524 4.993 4.470 -0.002 0.000 0.228 378 S C 1.906 176.517 174.600 0.019 0.000 0.953 378 S CA 0.923 59.133 58.200 0.018 0.000 0.983 378 S CB 0.400 63.612 63.200 0.021 0.000 0.784 378 S HN 1.965 nan 8.310 nan 0.000 0.498 379 A N 0.771 123.604 122.820 0.022 0.000 2.072 379 A HA 0.673 4.992 4.320 -0.002 0.000 0.216 379 A C 1.738 179.340 177.584 0.030 0.000 1.156 379 A CA 0.622 52.679 52.037 0.033 0.000 0.701 379 A CB -0.335 18.689 19.000 0.041 0.000 0.816 379 A HN 0.949 nan 8.150 nan 0.000 0.458 380 A N -0.561 122.261 122.820 0.004 0.000 2.749 380 A HA 0.501 4.820 4.320 -0.002 0.000 0.299 380 A C 0.058 177.619 177.584 -0.039 0.000 1.105 380 A CA -0.172 51.847 52.037 -0.030 0.000 0.987 380 A CB -0.152 18.821 19.000 -0.044 0.000 1.180 380 A HN 0.461 nan 8.150 nan 0.000 0.528 381 Q N 0.579 120.367 119.800 -0.020 0.000 2.356 381 Q HA 0.565 4.904 4.340 -0.002 0.000 0.270 381 Q C -1.251 174.742 176.000 -0.012 0.000 1.058 381 Q CA -0.587 55.206 55.803 -0.017 0.000 0.802 381 Q CB 2.240 30.977 28.738 -0.001 0.000 1.303 381 Q HN 0.131 nan 8.270 nan 0.000 0.444 382 V N 5.397 125.302 119.914 -0.014 0.000 2.540 382 V HA -0.072 4.047 4.120 -0.002 0.000 0.297 382 V C 1.205 177.301 176.094 0.004 0.000 1.024 382 V CA 0.047 62.343 62.300 -0.007 0.000 1.105 382 V CB 0.541 32.364 31.823 0.000 0.000 0.938 382 V HN 0.857 nan 8.190 nan 0.000 0.482 383 K N 4.286 124.689 120.400 0.006 0.000 2.074 383 K HA -0.228 4.092 4.320 -0.002 0.000 0.209 383 K C 2.174 178.781 176.600 0.012 0.000 1.048 383 K CA 1.676 57.969 56.287 0.010 0.000 0.926 383 K CB -0.762 31.743 32.500 0.009 0.000 0.713 383 K HN 0.811 nan 8.250 nan 0.000 0.444 384 A N 1.578 124.403 122.820 0.008 0.000 1.865 384 A HA -0.184 4.135 4.320 -0.002 0.000 0.217 384 A C 2.281 179.876 177.584 0.019 0.000 1.191 384 A CA 1.582 53.623 52.037 0.007 0.000 0.623 384 A CB -0.695 18.304 19.000 -0.002 0.000 0.826 384 A HN 0.223 nan 8.150 nan 0.000 0.444 385 L N -0.033 121.202 121.223 0.020 0.000 2.093 385 L HA -0.119 4.220 4.340 -0.002 0.000 0.208 385 L C 2.355 179.242 176.870 0.029 0.000 1.085 385 L CA 2.542 57.398 54.840 0.027 0.000 0.755 385 L CB -0.517 41.555 42.059 0.022 0.000 0.904 385 L HN 0.530 nan 8.230 nan 0.000 0.435 386 K N -0.990 119.425 120.400 0.024 0.000 2.057 386 K HA -0.240 4.079 4.320 -0.002 0.000 0.207 386 K C 2.050 178.670 176.600 0.034 0.000 1.049 386 K CA 1.784 58.087 56.287 0.026 0.000 0.931 386 K CB -0.119 32.394 32.500 0.022 0.000 0.714 386 K HN 0.452 nan 8.250 nan 0.000 0.440 387 Q N 0.293 120.115 119.800 0.036 0.000 2.002 387 Q HA -0.172 4.167 4.340 -0.002 0.000 0.204 387 Q C 2.189 178.229 176.000 0.068 0.000 0.988 387 Q CA 2.426 58.258 55.803 0.048 0.000 0.843 387 Q CB -0.257 28.507 28.738 0.043 0.000 0.908 387 Q HN 0.416 nan 8.270 nan 0.000 0.420 388 V N -1.930 118.033 119.914 0.081 0.000 2.515 388 V HA -0.007 4.112 4.120 -0.002 0.000 0.250 388 V C 1.347 177.474 176.094 0.054 0.000 1.058 388 V CA 1.364 63.730 62.300 0.111 0.000 1.064 388 V CB -0.943 30.970 31.823 0.149 0.000 0.675 388 V HN 0.249 nan 8.190 nan 0.000 0.461 389 A N 1.072 123.914 122.820 0.037 0.000 3.202 389 A HA 0.637 4.956 4.320 -0.002 0.000 0.258 389 A C 1.679 179.279 177.584 0.027 0.000 1.572 389 A CA 0.412 52.459 52.037 0.017 0.000 1.241 389 A CB -0.936 18.074 19.000 0.018 0.000 1.127 389 A HN 0.582 nan 8.150 nan 0.000 0.648 390 G N 0.628 109.446 108.800 0.029 0.000 2.701 390 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.215 390 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.215 390 G C 1.221 176.153 174.900 0.053 0.000 1.297 390 G CA 1.453 46.578 45.100 0.043 0.000 0.807 390 G HN 0.584 nan 8.290 nan 0.000 0.608 391 S N 0.179 115.922 115.700 0.073 0.000 2.602 391 S HA 0.203 4.672 4.470 -0.002 0.000 0.240 391 S C 1.525 176.207 174.600 0.137 0.000 0.992 391 S CA -0.426 57.838 58.200 0.107 0.000 0.971 391 S CB 0.717 64.001 63.200 0.139 0.000 0.855 391 S HN 0.263 nan 8.310 nan 0.000 0.481 392 L N 2.817 124.086 121.223 0.077 0.000 2.089 392 L HA -0.068 4.271 4.340 -0.002 0.000 0.213 392 L C 2.097 179.033 176.870 0.110 0.000 1.079 392 L CA 1.937 56.807 54.840 0.050 0.000 0.758 392 L CB -0.342 41.700 42.059 -0.028 0.000 0.891 392 L HN 0.181 nan 8.230 nan 0.000 0.433 393 K N -0.918 119.538 120.400 0.094 0.000 2.057 393 K HA -0.157 4.162 4.320 -0.002 0.000 0.206 393 K C 2.234 178.905 176.600 0.119 0.000 1.050 393 K CA 1.608 57.952 56.287 0.095 0.000 0.935 393 K CB -0.200 32.343 32.500 0.071 0.000 0.715 393 K HN 0.425 nan 8.250 nan 0.000 0.439 394 L N 0.311 121.606 121.223 0.120 0.000 2.072 394 L HA -0.139 4.200 4.340 -0.002 0.000 0.205 394 L C 2.259 179.213 176.870 0.139 0.000 1.079 394 L CA 0.909 55.812 54.840 0.105 0.000 0.752 394 L CB -0.311 41.795 42.059 0.078 0.000 0.906 394 L HN 0.144 nan 8.230 nan 0.000 0.436 395 F N 0.451 120.422 119.950 0.034 0.000 2.091 395 F HA -0.310 4.216 4.527 -0.002 0.000 0.299 395 F C 2.076 177.920 175.800 0.073 0.000 1.103 395 F CA 1.850 59.873 58.000 0.039 0.000 1.228 395 F CB -0.283 38.726 39.000 0.015 0.000 0.984 395 F HN -0.031 nan 8.300 nan 0.000 0.477 396 L N -0.676 120.786 121.223 0.399 0.000 2.201 396 L HA -0.150 4.189 4.340 -0.002 0.000 0.212 396 L C 2.656 179.684 176.870 0.263 0.000 1.105 396 L CA 0.876 55.916 54.840 0.334 0.000 0.775 396 L CB -1.020 41.166 42.059 0.211 0.000 0.913 396 L HN 0.234 nan 8.230 nan 0.000 0.440 397 A N -0.268 122.646 122.820 0.158 0.000 1.897 397 A HA -0.205 4.114 4.320 -0.002 0.000 0.215 397 A C 2.221 179.830 177.584 0.042 0.000 1.181 397 A CA 1.168 53.258 52.037 0.087 0.000 0.620 397 A CB -0.334 18.700 19.000 0.057 0.000 0.821 397 A HN 0.440 nan 8.150 nan 0.000 0.443 398 Q N -1.786 118.017 119.800 0.005 0.000 2.124 398 Q HA -0.220 4.119 4.340 -0.002 0.000 0.202 398 Q C 1.980 177.956 176.000 -0.040 0.000 0.977 398 Q CA 1.824 57.582 55.803 -0.075 0.000 0.850 398 Q CB -0.438 28.175 28.738 -0.208 0.000 0.901 398 Q HN 0.856 nan 8.270 nan 0.000 0.429 399 Y N 1.433 121.682 120.300 -0.084 0.000 2.145 399 Y HA -0.183 4.366 4.550 -0.002 0.000 0.286 399 Y C 1.908 177.815 175.900 0.012 0.000 1.145 399 Y CA 1.572 59.664 58.100 -0.014 0.000 1.148 399 Y CB 0.036 38.552 38.460 0.094 0.000 0.981 399 Y HN -0.130 nan 8.280 nan 0.000 0.507 400 R N -0.278 120.127 120.500 -0.159 0.000 2.193 400 R HA -0.090 4.249 4.340 -0.002 0.000 0.213 400 R C 2.066 178.275 176.300 -0.153 0.000 1.055 400 R CA 1.076 57.031 56.100 -0.241 0.000 0.995 400 R CB -0.151 30.122 30.300 -0.046 0.000 0.893 400 R HN 0.343 nan 8.270 nan 0.000 0.459 401 E N 0.832 120.977 120.200 -0.092 0.000 2.047 401 E HA -0.115 4.234 4.350 -0.002 0.000 0.191 401 E C 1.768 178.329 176.600 -0.064 0.000 0.987 401 E CA 1.094 57.455 56.400 -0.065 0.000 0.799 401 E CB -0.055 29.613 29.700 -0.054 0.000 0.752 401 E HN -0.012 nan 8.360 nan 0.000 0.449 402 V N 0.821 120.681 119.914 -0.090 0.000 2.295 402 V HA -0.236 3.883 4.120 -0.002 0.000 0.246 402 V C 2.305 178.367 176.094 -0.054 0.000 1.049 402 V CA 1.924 64.193 62.300 -0.052 0.000 1.024 402 V CB -0.819 30.975 31.823 -0.049 0.000 0.648 402 V HN 0.486 nan 8.190 nan 0.000 0.447 403 A N -0.609 122.083 122.820 -0.212 0.000 2.172 403 A HA 0.110 4.429 4.320 -0.002 0.000 0.216 403 A C 2.253 179.768 177.584 -0.114 0.000 1.154 403 A CA 1.466 53.372 52.037 -0.218 0.000 0.701 403 A CB -0.449 18.273 19.000 -0.462 0.000 0.789 403 A HN 0.556 nan 8.150 nan 0.000 0.465 404 A N -1.355 121.426 122.820 -0.065 0.000 1.970 404 A HA 0.098 4.417 4.320 -0.002 0.000 0.216 404 A C 1.799 179.416 177.584 0.054 0.000 1.170 404 A CA 1.194 53.225 52.037 -0.011 0.000 0.645 404 A CB -0.506 18.494 19.000 -0.001 0.000 0.816 404 A HN 0.594 nan 8.150 nan 0.000 0.447 405 F N 0.639 120.546 119.950 -0.071 0.000 2.615 405 F HA 0.240 4.768 4.527 0.001 0.000 0.297 405 F C 2.249 178.021 175.800 -0.046 0.000 1.124 405 F CA 0.314 58.283 58.000 -0.053 0.000 1.451 405 F CB -0.130 38.840 39.000 -0.050 0.000 1.103 405 F HN 0.232 nan 8.300 nan 0.000 0.569 406 A N -0.046 122.726 122.820 -0.079 0.000 1.898 406 A HA -0.167 4.152 4.320 -0.002 0.000 0.216 406 A C 2.139 179.623 177.584 -0.167 0.000 1.181 406 A CA 1.265 53.223 52.037 -0.133 0.000 0.620 406 A CB -0.612 18.352 19.000 -0.061 0.000 0.819 406 A HN 0.402 nan 8.150 nan 0.000 0.442 407 Q N -1.322 118.400 119.800 -0.129 0.000 2.217 407 Q HA -0.253 4.086 4.340 -0.002 0.000 0.209 407 Q C 1.958 177.871 176.000 -0.145 0.000 0.988 407 Q CA 1.915 57.653 55.803 -0.109 0.000 0.878 407 Q CB -1.065 27.629 28.738 -0.073 0.000 0.909 407 Q HN 0.884 nan 8.270 nan 0.000 0.424 408 F N 0.596 120.404 119.950 -0.237 0.000 2.724 408 F HA 0.244 4.770 4.527 -0.002 0.000 0.297 408 F C 1.616 177.277 175.800 -0.232 0.000 1.200 408 F CA 0.773 58.614 58.000 -0.266 0.000 1.468 408 F CB -1.228 37.499 39.000 -0.455 0.000 1.116 408 F HN 0.263 nan 8.300 nan 0.000 0.599 409 G N 0.343 109.031 108.800 -0.188 0.000 2.295 409 G HA2 0.012 3.972 3.960 -0.002 0.000 0.287 409 G HA3 0.012 3.972 3.960 -0.002 0.000 0.287 409 G C 0.130 174.935 174.900 -0.157 0.000 1.055 409 G CA 0.599 45.616 45.100 -0.138 0.000 0.922 409 G HN 1.492 nan 8.290 nan 0.000 0.503 410 S N 0.149 115.714 115.700 -0.224 0.000 2.489 410 S HA 0.539 5.008 4.470 -0.002 0.000 0.291 410 S C 0.111 174.649 174.600 -0.104 0.000 1.151 410 S CA -0.136 57.931 58.200 -0.221 0.000 1.082 410 S CB 0.931 63.836 63.200 -0.491 0.000 1.019 410 S HN 0.591 nan 8.310 nan 0.000 0.492 411 D N 4.563 124.935 120.400 -0.046 0.000 2.255 411 D HA 0.344 4.983 4.640 -0.002 0.000 0.249 411 D C -0.166 176.153 176.300 0.033 0.000 1.078 411 D CA -0.373 53.623 54.000 -0.007 0.000 0.896 411 D CB 0.734 41.532 40.800 -0.004 0.000 1.194 411 D HN 0.395 nan 8.370 nan 0.000 0.429 412 L N 0.791 122.038 121.223 0.040 0.000 2.298 412 L HA 0.393 4.732 4.340 -0.002 0.000 0.268 412 L C 0.396 177.292 176.870 0.043 0.000 1.010 412 L CA -1.063 53.816 54.840 0.065 0.000 0.812 412 L CB 1.331 43.433 42.059 0.071 0.000 1.331 412 L HN 0.512 nan 8.230 nan 0.000 0.450 413 D N -0.534 119.890 120.400 0.040 0.000 2.567 413 D HA 0.412 5.051 4.640 -0.002 0.000 0.275 413 D C 0.769 177.079 176.300 0.016 0.000 1.195 413 D CA -0.243 53.771 54.000 0.023 0.000 1.087 413 D CB 0.555 41.365 40.800 0.017 0.000 1.165 413 D HN 0.477 nan 8.370 nan 0.000 0.609 414 A N -0.487 122.339 122.820 0.009 0.000 1.972 414 A HA -0.108 4.211 4.320 -0.002 0.000 0.219 414 A C 2.027 179.614 177.584 0.005 0.000 1.169 414 A CA 1.711 53.751 52.037 0.006 0.000 0.635 414 A CB -0.965 18.036 19.000 0.001 0.000 0.810 414 A HN 0.398 nan 8.150 nan 0.000 0.446 415 S N -0.528 115.172 115.700 0.000 0.000 2.406 415 S HA -0.079 4.390 4.470 -0.002 0.000 0.224 415 S C 2.054 176.651 174.600 -0.005 0.000 1.030 415 S CA 1.559 59.755 58.200 -0.008 0.000 0.958 415 S CB -0.341 62.847 63.200 -0.020 0.000 0.811 415 S HN 0.843 nan 8.310 nan 0.000 0.489 416 T N 0.389 114.947 114.554 0.006 0.000 3.035 416 T HA 0.198 4.547 4.350 -0.002 0.000 0.259 416 T C 1.598 176.322 174.700 0.039 0.000 1.078 416 T CA 0.508 62.620 62.100 0.020 0.000 1.132 416 T CB 0.022 68.914 68.868 0.040 0.000 0.900 416 T HN 0.212 nan 8.240 nan 0.000 0.480 417 K N 0.975 121.396 120.400 0.036 0.000 2.076 417 K HA -0.085 4.235 4.320 -0.002 0.000 0.204 417 K C 2.566 179.194 176.600 0.046 0.000 1.051 417 K CA 1.061 57.373 56.287 0.041 0.000 0.949 417 K CB -0.079 32.438 32.500 0.029 0.000 0.726 417 K HN 0.319 nan 8.250 nan 0.000 0.443 418 Q N 0.808 120.630 119.800 0.036 0.000 2.096 418 Q HA -0.169 4.170 4.340 -0.002 0.000 0.204 418 Q C 1.665 177.710 176.000 0.075 0.000 0.982 418 Q CA 2.901 58.728 55.803 0.040 0.000 0.850 418 Q CB -0.694 28.060 28.738 0.026 0.000 0.901 418 Q HN 0.398 nan 8.270 nan 0.000 0.422 419 T N -1.538 113.058 114.554 0.071 0.000 2.894 419 T HA -0.048 4.301 4.350 -0.002 0.000 0.258 419 T C 1.764 176.580 174.700 0.192 0.000 1.043 419 T CA 0.778 62.938 62.100 0.099 0.000 1.141 419 T CB -0.579 68.254 68.868 -0.057 0.000 0.873 419 T HN 0.260 nan 8.240 nan 0.000 0.449 420 L N 1.572 122.896 121.223 0.169 0.000 2.043 420 L HA -0.038 4.301 4.340 -0.002 0.000 0.212 420 L C 2.567 179.589 176.870 0.253 0.000 1.075 420 L CA 1.488 56.478 54.840 0.250 0.000 0.752 420 L CB -0.767 41.372 42.059 0.134 0.000 0.891 420 L HN 0.177 nan 8.230 nan 0.000 0.432 421 V N -0.198 119.800 119.914 0.139 0.000 2.295 421 V HA -0.278 3.841 4.120 -0.002 0.000 0.246 421 V C 2.797 178.917 176.094 0.043 0.000 1.049 421 V CA 2.194 64.541 62.300 0.079 0.000 1.024 421 V CB -0.712 31.135 31.823 0.040 0.000 0.648 421 V HN 0.506 nan 8.190 nan 0.000 0.447 422 R N -0.020 120.522 120.500 0.070 0.000 2.075 422 R HA -0.106 4.233 4.340 -0.002 0.000 0.232 422 R C 2.370 178.624 176.300 -0.077 0.000 1.126 422 R CA 1.566 57.672 56.100 0.010 0.000 0.963 422 R CB -0.727 29.628 30.300 0.091 0.000 0.858 422 R HN 0.556 nan 8.270 nan 0.000 0.435 423 G N 0.408 109.192 108.800 -0.027 0.000 2.418 423 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.217 423 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.217 423 G C 1.255 175.603 174.900 -0.920 0.000 1.158 423 G CA 0.705 45.482 45.100 -0.539 0.000 0.771 423 G HN 0.428 nan 8.290 nan 0.000 0.545 424 E N -0.194 119.701 120.200 -0.508 0.000 2.153 424 E HA -0.100 4.249 4.350 -0.002 0.000 0.194 424 E C 2.675 179.181 176.600 -0.156 0.000 0.988 424 E CA 0.651 56.942 56.400 -0.181 0.000 0.811 424 E CB 0.036 29.784 29.700 0.079 0.000 0.746 424 E HN 0.343 nan 8.360 nan 0.000 0.466 425 R N -0.459 119.942 120.500 -0.165 0.000 2.100 425 R HA 0.053 4.392 4.340 -0.002 0.000 0.220 425 R C 2.321 178.516 176.300 -0.174 0.000 1.091 425 R CA 0.482 56.492 56.100 -0.150 0.000 0.986 425 R CB 0.007 30.216 30.300 -0.153 0.000 0.888 425 R HN 0.157 nan 8.270 nan 0.000 0.444 426 L N -0.211 120.877 121.223 -0.225 0.000 2.056 426 L HA -0.178 4.161 4.340 -0.002 0.000 0.207 426 L C 2.115 178.886 176.870 -0.166 0.000 1.078 426 L CA 1.384 56.095 54.840 -0.214 0.000 0.749 426 L CB -0.525 41.367 42.059 -0.277 0.000 0.901 426 L HN 0.245 nan 8.230 nan 0.000 0.433 427 T N -1.083 113.351 114.554 -0.199 0.000 2.607 427 T HA -0.344 4.005 4.350 -0.002 0.000 0.267 427 T C 1.809 176.467 174.700 -0.070 0.000 1.049 427 T CA 1.913 63.943 62.100 -0.116 0.000 1.162 427 T CB -0.239 68.567 68.868 -0.104 0.000 0.863 427 T HN 0.219 nan 8.240 nan 0.000 0.424 428 Q N 0.408 120.165 119.800 -0.072 0.000 2.135 428 Q HA -0.063 4.276 4.340 -0.002 0.000 0.204 428 Q C 2.049 178.027 176.000 -0.037 0.000 0.981 428 Q CA 1.182 56.957 55.803 -0.046 0.000 0.856 428 Q CB -0.644 28.066 28.738 -0.046 0.000 0.902 428 Q HN 0.443 nan 8.270 nan 0.000 0.425 429 L N -0.631 120.560 121.223 -0.054 0.000 2.191 429 L HA -0.043 4.296 4.340 -0.002 0.000 0.212 429 L C 1.610 178.473 176.870 -0.012 0.000 1.103 429 L CA 1.445 56.268 54.840 -0.029 0.000 0.769 429 L CB -0.102 41.925 42.059 -0.054 0.000 0.908 429 L HN 0.327 nan 8.230 nan 0.000 0.438 430 L N -1.010 120.198 121.223 -0.025 0.000 2.509 430 L HA 0.009 4.348 4.340 -0.002 0.000 0.222 430 L C 0.916 177.778 176.870 -0.012 0.000 1.123 430 L CA -0.044 54.787 54.840 -0.014 0.000 0.856 430 L CB -0.317 41.732 42.059 -0.016 0.000 0.985 430 L HN 0.084 nan 8.230 nan 0.000 0.456 431 K N 1.456 121.845 120.400 -0.018 0.000 2.485 431 K HA 0.081 4.400 4.320 -0.002 0.000 0.277 431 K C -0.083 176.507 176.600 -0.018 0.000 0.990 431 K CA 0.516 56.787 56.287 -0.028 0.000 0.994 431 K CB 0.500 32.979 32.500 -0.034 0.000 0.906 431 K HN 0.027 nan 8.250 nan 0.000 0.488 432 Q N 2.313 122.096 119.800 -0.029 0.000 2.295 432 Q HA 0.145 4.484 4.340 -0.002 0.000 0.268 432 Q C -1.203 174.780 176.000 -0.029 0.000 1.010 432 Q CA -0.725 55.067 55.803 -0.018 0.000 0.856 432 Q CB 1.388 30.118 28.738 -0.012 0.000 1.349 432 Q HN 0.533 nan 8.270 nan 0.000 0.412 433 N N 2.268 120.962 118.700 -0.011 0.000 2.381 433 N HA -0.008 4.731 4.740 -0.002 0.000 0.241 433 N C -0.472 175.026 175.510 -0.019 0.000 1.279 433 N CA 0.201 53.249 53.050 -0.003 0.000 0.896 433 N CB 0.714 39.221 38.487 0.033 0.000 1.118 433 N HN 0.603 nan 8.380 nan 0.000 0.438 434 Q N 0.123 119.902 119.800 -0.035 0.000 2.368 434 Q HA 0.004 4.343 4.340 -0.002 0.000 0.237 434 Q C -0.347 175.618 176.000 -0.059 0.000 0.987 434 Q CA -0.193 55.498 55.803 -0.186 0.000 0.896 434 Q CB 0.311 28.829 28.738 -0.367 0.000 1.241 434 Q HN 0.588 nan 8.270 nan 0.000 0.485 435 Y N -0.668 119.612 120.300 -0.034 0.000 4.538 435 Y HA -0.270 4.279 4.550 -0.002 0.000 0.225 435 Y C -0.137 175.746 175.900 -0.027 0.000 1.074 435 Y CA 0.835 58.885 58.100 -0.084 0.000 1.942 435 Y CB -2.076 36.360 38.460 -0.041 0.000 1.618 435 Y HN 0.328 nan 8.280 nan 0.000 0.642 436 S N 0.540 116.287 115.700 0.078 0.000 2.128 436 S HA 0.289 4.758 4.470 -0.002 0.000 0.157 436 S C -2.357 172.259 174.600 0.028 0.000 1.650 436 S CA -0.946 57.296 58.200 0.069 0.000 1.269 436 S CB 1.096 64.338 63.200 0.071 0.000 1.227 436 S HN 0.086 nan 8.310 nan 0.000 0.405 437 P HA 0.275 nan 4.420 nan 0.000 0.275 437 P C -0.548 176.757 177.300 0.009 0.000 1.227 437 P CA -0.380 62.726 63.100 0.010 0.000 0.781 437 P CB 0.925 32.632 31.700 0.012 0.000 0.906 438 L N 1.622 122.852 121.223 0.011 0.000 2.360 438 L HA 0.570 4.909 4.340 -0.002 0.000 0.271 438 L C 0.901 177.775 176.870 0.006 0.000 1.057 438 L CA -1.079 53.764 54.840 0.005 0.000 0.803 438 L CB 1.457 43.523 42.059 0.012 0.000 1.207 438 L HN 0.414 nan 8.230 nan 0.000 0.445 439 A N 1.157 123.967 122.820 -0.016 0.000 2.322 439 A HA 0.336 4.655 4.320 -0.002 0.000 0.269 439 A C 1.091 178.681 177.584 0.010 0.000 1.094 439 A CA -0.284 51.744 52.037 -0.015 0.000 0.807 439 A CB 0.582 19.544 19.000 -0.064 0.000 1.047 439 A HN 0.866 nan 8.150 nan 0.000 0.487 440 T N 1.053 115.631 114.554 0.040 0.000 2.720 440 T HA -0.158 4.191 4.350 -0.002 0.000 0.268 440 T C 1.688 176.394 174.700 0.010 0.000 1.037 440 T CA 1.747 63.869 62.100 0.037 0.000 1.144 440 T CB -0.219 68.684 68.868 0.058 0.000 0.864 440 T HN 0.877 nan 8.240 nan 0.000 0.444 441 E N 1.958 122.153 120.200 -0.009 0.000 2.265 441 E HA -0.198 4.151 4.350 -0.002 0.000 0.196 441 E C 1.545 178.113 176.600 -0.054 0.000 0.996 441 E CA 1.150 57.528 56.400 -0.037 0.000 0.832 441 E CB -0.271 29.398 29.700 -0.053 0.000 0.756 441 E HN 0.620 nan 8.360 nan 0.000 0.491 442 E N 0.624 120.798 120.200 -0.042 0.000 2.140 442 E HA -0.044 4.305 4.350 -0.002 0.000 0.191 442 E C 2.249 178.849 176.600 -0.000 0.000 0.973 442 E CA 0.380 56.754 56.400 -0.045 0.000 0.829 442 E CB 0.036 29.711 29.700 -0.041 0.000 0.781 442 E HN 0.347 nan 8.360 nan 0.000 0.466 443 Q N 0.655 120.465 119.800 0.016 0.000 2.016 443 Q HA -0.110 4.229 4.340 -0.002 0.000 0.200 443 Q C 2.460 178.494 176.000 0.057 0.000 0.978 443 Q CA 1.188 57.015 55.803 0.040 0.000 0.833 443 Q CB -0.100 28.659 28.738 0.034 0.000 0.895 443 Q HN 0.085 nan 8.270 nan 0.000 0.427 444 V N 1.766 121.705 119.914 0.042 0.000 2.250 444 V HA -0.273 3.846 4.120 -0.002 0.000 0.253 444 V C -0.816 175.340 176.094 0.102 0.000 1.065 444 V CA 2.431 64.763 62.300 0.053 0.000 1.039 444 V CB -1.617 30.215 31.823 0.015 0.000 0.647 444 V HN 0.298 nan 8.190 nan 0.000 0.446 445 P HA -0.143 nan 4.420 nan 0.000 0.215 445 P C 1.919 179.438 177.300 0.365 0.000 1.157 445 P CA 1.510 64.738 63.100 0.213 0.000 0.868 445 P CB -0.120 31.638 31.700 0.097 0.000 0.788 446 L N -1.362 120.041 121.223 0.300 0.000 2.042 446 L HA -0.177 4.162 4.340 -0.002 0.000 0.210 446 L C 2.441 179.405 176.870 0.157 0.000 1.076 446 L CA 1.330 56.342 54.840 0.286 0.000 0.749 446 L CB -1.066 41.124 42.059 0.218 0.000 0.893 446 L HN -0.060 nan 8.230 nan 0.000 0.432 447 I N -0.845 119.796 120.570 0.118 0.000 2.179 447 I HA -0.321 3.848 4.170 -0.002 0.000 0.242 447 I C 2.594 178.745 176.117 0.057 0.000 1.088 447 I CA 1.712 63.044 61.300 0.053 0.000 1.357 447 I CB -1.048 36.980 38.000 0.046 0.000 1.051 447 I HN 0.252 nan 8.210 nan 0.000 0.409 448 Y N 2.204 122.510 120.300 0.010 0.000 2.114 448 Y HA -0.286 4.263 4.550 -0.001 0.000 0.282 448 Y C 2.615 178.497 175.900 -0.028 0.000 1.165 448 Y CA 2.133 60.229 58.100 -0.006 0.000 1.148 448 Y CB -0.310 38.151 38.460 0.001 0.000 0.972 448 Y HN 0.140 nan 8.280 nan 0.000 0.504 449 A N -0.338 122.512 122.820 0.050 0.000 2.019 449 A HA -0.048 4.271 4.320 -0.002 0.000 0.219 449 A C 2.403 179.918 177.584 -0.114 0.000 1.164 449 A CA 1.588 53.578 52.037 -0.079 0.000 0.644 449 A CB -1.494 17.494 19.000 -0.020 0.000 0.805 449 A HN 0.602 nan 8.150 nan 0.000 0.449 450 G N -0.896 107.831 108.800 -0.121 0.000 2.408 450 G HA2 0.036 3.995 3.960 -0.002 0.000 0.213 450 G HA3 0.036 3.995 3.960 -0.002 0.000 0.213 450 G C 1.380 176.141 174.900 -0.231 0.000 1.177 450 G CA 1.087 46.078 45.100 -0.181 0.000 0.802 450 G HN 0.300 nan 8.290 nan 0.000 0.533 451 V N 1.436 121.204 119.914 -0.242 0.000 2.719 451 V HA -0.035 4.084 4.120 -0.002 0.000 0.252 451 V C 1.744 177.689 176.094 -0.247 0.000 1.065 451 V CA 1.068 63.184 62.300 -0.308 0.000 1.086 451 V CB -0.348 31.322 31.823 -0.255 0.000 0.700 451 V HN 0.367 nan 8.190 nan 0.000 0.467 452 N N 0.240 118.795 118.700 -0.241 0.000 2.313 452 N HA 0.164 4.903 4.740 -0.002 0.000 0.207 452 N C 1.469 176.906 175.510 -0.123 0.000 1.141 452 N CA 0.848 53.784 53.050 -0.191 0.000 0.830 452 N CB 1.071 39.303 38.487 -0.425 0.000 1.008 452 N HN 0.590 nan 8.380 nan 0.000 0.481 453 G N 0.900 109.616 108.800 -0.141 0.000 2.194 453 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.236 453 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.236 453 G C 0.477 175.231 174.900 -0.243 0.000 0.987 453 G CA -0.014 44.963 45.100 -0.206 0.000 0.635 453 G HN 0.483 nan 8.290 nan 0.000 0.520 454 H N -0.161 118.798 119.070 -0.185 0.000 2.563 454 H HA 0.437 4.992 4.556 -0.002 0.000 0.272 454 H C 2.379 177.568 175.328 -0.231 0.000 1.005 454 H CA 1.165 57.118 56.048 -0.160 0.000 1.171 454 H CB 0.092 29.780 29.762 -0.123 0.000 1.351 454 H HN 0.447 nan 8.280 nan 0.000 0.602 455 L N -0.643 120.463 121.223 -0.194 0.000 2.701 455 L HA 0.064 4.403 4.340 -0.002 0.000 0.238 455 L C 1.013 177.753 176.870 -0.217 0.000 1.106 455 L CA 0.047 54.694 54.840 -0.322 0.000 0.898 455 L CB 0.472 42.283 42.059 -0.414 0.000 1.188 455 L HN 0.074 nan 8.230 nan 0.000 0.508 456 D N 0.929 121.233 120.400 -0.160 0.000 2.228 456 D HA -0.143 4.496 4.640 -0.002 0.000 0.203 456 D C 1.656 177.902 176.300 -0.090 0.000 0.988 456 D CA 1.376 55.308 54.000 -0.112 0.000 0.864 456 D CB -0.075 40.670 40.800 -0.091 0.000 0.928 456 D HN 0.283 nan 8.370 nan 0.000 0.469 457 G N -0.302 108.440 108.800 -0.096 0.000 4.125 457 G HA2 0.434 4.393 3.960 -0.002 0.000 0.301 457 G HA3 0.434 4.393 3.960 -0.002 0.000 0.301 457 G C -0.085 174.772 174.900 -0.073 0.000 1.273 457 G CA -0.306 44.751 45.100 -0.071 0.000 1.095 457 G HN 0.111 nan 8.290 nan 0.000 0.582 458 I N -0.028 120.486 120.570 -0.093 0.000 2.498 458 I HA 0.235 4.404 4.170 -0.002 0.000 0.290 458 I C -0.019 176.060 176.117 -0.063 0.000 1.032 458 I CA -0.867 60.383 61.300 -0.082 0.000 1.073 458 I CB 2.698 40.620 38.000 -0.131 0.000 1.251 458 I HN 0.046 nan 8.210 nan 0.000 0.426 459 E N 3.290 123.470 120.200 -0.033 0.000 2.529 459 E HA -0.097 4.252 4.350 -0.002 0.000 0.259 459 E C 0.709 177.297 176.600 -0.020 0.000 0.966 459 E CA -0.016 56.373 56.400 -0.020 0.000 0.937 459 E CB 0.787 30.483 29.700 -0.006 0.000 0.923 459 E HN 0.421 nan 8.360 nan 0.000 0.468 460 L N 3.849 125.061 121.223 -0.018 0.000 2.131 460 L HA -0.182 4.157 4.340 -0.002 0.000 0.210 460 L C 2.035 178.902 176.870 -0.004 0.000 1.092 460 L CA 2.007 56.835 54.840 -0.019 0.000 0.759 460 L CB -0.336 41.717 42.059 -0.011 0.000 0.903 460 L HN 0.627 nan 8.230 nan 0.000 0.435 461 S N -1.605 114.098 115.700 0.005 0.000 2.507 461 S HA -0.097 4.372 4.470 -0.002 0.000 0.235 461 S C 1.838 176.455 174.600 0.027 0.000 0.988 461 S CA 0.499 58.708 58.200 0.015 0.000 0.944 461 S CB -0.431 62.778 63.200 0.015 0.000 0.762 461 S HN 0.478 nan 8.310 nan 0.000 0.526 462 R N 0.059 120.578 120.500 0.031 0.000 2.393 462 R HA 0.391 4.730 4.340 -0.002 0.000 0.244 462 R C 0.983 177.343 176.300 0.101 0.000 0.920 462 R CA -0.152 55.985 56.100 0.063 0.000 1.076 462 R CB 0.057 30.394 30.300 0.060 0.000 1.119 462 R HN 0.368 nan 8.270 nan 0.000 0.524 463 I N -0.209 120.397 120.570 0.060 0.000 2.546 463 I HA -0.063 4.106 4.170 -0.002 0.000 0.255 463 I C 2.202 178.402 176.117 0.139 0.000 1.163 463 I CA 1.187 62.527 61.300 0.067 0.000 1.457 463 I CB -0.994 36.993 38.000 -0.022 0.000 1.092 463 I HN 0.231 nan 8.210 nan 0.000 0.434 464 G N 1.851 110.712 108.800 0.101 0.000 2.421 464 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.216 464 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.216 464 G C 1.494 176.475 174.900 0.135 0.000 1.171 464 G CA 0.927 46.087 45.100 0.101 0.000 0.775 464 G HN 0.616 nan 8.290 nan 0.000 0.543 465 E N -0.667 119.616 120.200 0.139 0.000 2.268 465 E HA -0.080 4.269 4.350 -0.002 0.000 0.195 465 E C 2.046 178.772 176.600 0.210 0.000 0.995 465 E CA 0.531 57.017 56.400 0.143 0.000 0.836 465 E CB -0.435 29.333 29.700 0.114 0.000 0.763 465 E HN 0.400 nan 8.360 nan 0.000 0.491 466 F N 1.855 121.877 119.950 0.120 0.000 2.234 466 F HA -0.070 4.456 4.527 -0.001 0.000 0.299 466 F C 2.120 178.041 175.800 0.201 0.000 1.087 466 F CA 1.786 59.900 58.000 0.189 0.000 1.340 466 F CB 0.001 39.073 39.000 0.120 0.000 1.031 466 F HN 0.068 nan 8.300 nan 0.000 0.500 467 E N 0.159 120.548 120.200 0.316 0.000 2.001 467 E HA -0.238 4.111 4.350 -0.002 0.000 0.195 467 E C 2.281 178.930 176.600 0.081 0.000 1.002 467 E CA 2.135 58.666 56.400 0.217 0.000 0.819 467 E CB -0.307 29.498 29.700 0.174 0.000 0.769 467 E HN 0.441 nan 8.360 nan 0.000 0.454 468 S N -0.246 115.494 115.700 0.067 0.000 2.442 468 S HA -0.078 4.391 4.470 -0.002 0.000 0.236 468 S C 2.118 176.722 174.600 0.006 0.000 1.007 468 S CA 1.147 59.363 58.200 0.026 0.000 0.965 468 S CB -0.017 63.205 63.200 0.036 0.000 0.773 468 S HN 0.101 nan 8.310 nan 0.000 0.504 469 S N 1.190 116.911 115.700 0.036 0.000 2.362 469 S HA 0.150 4.619 4.470 -0.002 0.000 0.221 469 S C 1.339 175.843 174.600 -0.160 0.000 1.032 469 S CA 0.703 58.954 58.200 0.085 0.000 0.973 469 S CB -0.514 62.852 63.200 0.277 0.000 0.849 469 S HN 0.551 nan 8.310 nan 0.000 0.465 470 F N 2.645 122.174 119.950 -0.703 0.000 2.186 470 F HA 0.049 4.575 4.527 -0.001 0.000 0.299 470 F C 1.693 177.182 175.800 -0.519 0.000 1.090 470 F CA 0.790 58.072 58.000 -1.196 0.000 1.307 470 F CB -0.558 37.722 39.000 -1.200 0.000 1.019 470 F HN 0.091 nan 8.300 nan 0.000 0.489 471 L N -0.986 120.037 121.223 -0.332 0.000 1.976 471 L HA -0.249 4.090 4.340 -0.002 0.000 0.209 471 L C 2.612 179.339 176.870 -0.238 0.000 1.071 471 L CA 1.606 56.274 54.840 -0.287 0.000 0.746 471 L CB -1.272 40.706 42.059 -0.136 0.000 0.890 471 L HN -0.023 nan 8.230 nan 0.000 0.432 472 S N -1.042 114.575 115.700 -0.138 0.000 2.380 472 S HA -0.287 4.182 4.470 -0.002 0.000 0.229 472 S C 1.892 176.447 174.600 -0.074 0.000 1.043 472 S CA 1.801 59.956 58.200 -0.076 0.000 1.038 472 S CB -0.502 62.695 63.200 -0.005 0.000 0.872 472 S HN 0.402 nan 8.310 nan 0.000 0.456 473 Y N 1.790 121.948 120.300 -0.235 0.000 2.181 473 Y HA -0.065 4.485 4.550 -0.001 0.000 0.288 473 Y C 1.845 177.622 175.900 -0.205 0.000 1.146 473 Y CA 1.294 59.281 58.100 -0.188 0.000 1.164 473 Y CB -0.416 37.898 38.460 -0.244 0.000 0.982 473 Y HN 0.169 nan 8.280 nan 0.000 0.515 474 L N -0.211 120.775 121.223 -0.396 0.000 2.109 474 L HA -0.171 4.168 4.340 -0.002 0.000 0.207 474 L C 2.389 179.084 176.870 -0.291 0.000 1.086 474 L CA 1.347 55.956 54.840 -0.384 0.000 0.760 474 L CB -0.467 41.299 42.059 -0.488 0.000 0.910 474 L HN 0.047 nan 8.230 nan 0.000 0.437 475 K N -0.348 119.904 120.400 -0.247 0.000 2.063 475 K HA -0.129 4.190 4.320 -0.002 0.000 0.208 475 K C 2.199 178.690 176.600 -0.181 0.000 1.048 475 K CA 1.718 57.895 56.287 -0.183 0.000 0.928 475 K CB -0.065 32.349 32.500 -0.144 0.000 0.713 475 K HN 0.239 nan 8.250 nan 0.000 0.442 476 S N 1.074 116.649 115.700 -0.209 0.000 2.303 476 S HA -0.045 4.424 4.470 -0.002 0.000 0.207 476 S C 1.622 176.050 174.600 -0.287 0.000 1.025 476 S CA 1.217 59.296 58.200 -0.201 0.000 0.953 476 S CB -0.465 62.639 63.200 -0.160 0.000 0.932 476 S HN 0.279 nan 8.310 nan 0.000 0.472 477 N N 1.109 119.526 118.700 -0.470 0.000 2.142 477 N HA -0.048 4.691 4.740 -0.002 0.000 0.186 477 N C 0.462 175.527 175.510 -0.742 0.000 1.023 477 N CA 1.052 53.694 53.050 -0.681 0.000 0.852 477 N CB -0.144 37.707 38.487 -1.061 0.000 0.998 477 N HN 0.456 nan 8.380 nan 0.000 0.424 478 H N -0.503 118.365 119.070 -0.336 0.000 2.505 478 H HA 0.235 4.790 4.556 -0.002 0.000 0.260 478 H C 0.282 175.486 175.328 -0.206 0.000 1.232 478 H CA -0.224 55.676 56.048 -0.247 0.000 0.991 478 H CB -0.228 29.377 29.762 -0.262 0.000 1.729 478 H HN 0.304 nan 8.280 nan 0.000 0.561 479 N N 0.995 119.622 118.700 -0.122 0.000 2.459 479 N HA -0.094 4.645 4.740 -0.002 0.000 0.181 479 N C 1.052 176.514 175.510 -0.078 0.000 1.046 479 N CA 0.452 53.437 53.050 -0.108 0.000 0.904 479 N CB 0.480 38.898 38.487 -0.114 0.000 0.964 479 N HN 0.543 nan 8.380 nan 0.000 0.444 480 E N 0.135 120.299 120.200 -0.061 0.000 2.208 480 E HA -0.095 4.254 4.350 -0.002 0.000 0.193 480 E C 1.690 178.261 176.600 -0.048 0.000 0.988 480 E CA 0.149 56.521 56.400 -0.048 0.000 0.828 480 E CB 0.208 29.887 29.700 -0.035 0.000 0.763 480 E HN 0.223 nan 8.360 nan 0.000 0.478 481 L N 0.735 121.927 121.223 -0.051 0.000 2.072 481 L HA -0.105 4.234 4.340 -0.002 0.000 0.205 481 L C 2.074 178.894 176.870 -0.083 0.000 1.079 481 L CA 1.490 56.286 54.840 -0.072 0.000 0.752 481 L CB -0.684 41.319 42.059 -0.094 0.000 0.906 481 L HN 0.188 nan 8.230 nan 0.000 0.436 482 L N -1.558 119.612 121.223 -0.089 0.000 2.095 482 L HA -0.130 4.209 4.340 -0.002 0.000 0.204 482 L C 2.337 179.166 176.870 -0.069 0.000 1.080 482 L CA 1.259 56.045 54.840 -0.089 0.000 0.759 482 L CB -1.214 40.781 42.059 -0.106 0.000 0.914 482 L HN 0.155 nan 8.230 nan 0.000 0.439 483 T N -0.744 113.772 114.554 -0.064 0.000 2.720 483 T HA -0.189 4.160 4.350 -0.002 0.000 0.268 483 T C 1.799 176.475 174.700 -0.041 0.000 1.037 483 T CA 1.241 63.310 62.100 -0.051 0.000 1.144 483 T CB -0.208 68.630 68.868 -0.049 0.000 0.864 483 T HN 0.271 nan 8.240 nan 0.000 0.444 484 E N 0.531 120.705 120.200 -0.043 0.000 2.160 484 E HA -0.060 4.289 4.350 -0.002 0.000 0.195 484 E C 2.148 178.727 176.600 -0.034 0.000 0.991 484 E CA 0.852 57.230 56.400 -0.037 0.000 0.810 484 E CB -0.203 29.471 29.700 -0.043 0.000 0.742 484 E HN 0.558 nan 8.360 nan 0.000 0.466 485 I N 0.012 120.557 120.570 -0.041 0.000 2.400 485 I HA -0.129 4.040 4.170 -0.002 0.000 0.248 485 I C 2.652 178.760 176.117 -0.014 0.000 1.109 485 I CA 0.428 61.708 61.300 -0.033 0.000 1.425 485 I CB -0.167 37.806 38.000 -0.045 0.000 1.094 485 I HN -0.078 nan 8.210 nan 0.000 0.425 486 R N 1.120 121.610 120.500 -0.017 0.000 2.241 486 R HA -0.134 4.205 4.340 -0.002 0.000 0.224 486 R C 1.529 177.839 176.300 0.016 0.000 1.101 486 R CA 1.361 57.462 56.100 0.002 0.000 0.995 486 R CB 0.136 30.422 30.300 -0.022 0.000 0.870 486 R HN 0.457 nan 8.270 nan 0.000 0.463 487 E N -1.261 118.940 120.200 0.002 0.000 2.391 487 E HA 0.038 4.387 4.350 -0.002 0.000 0.206 487 E C 1.288 177.891 176.600 0.005 0.000 0.851 487 E CA 0.117 56.521 56.400 0.007 0.000 1.059 487 E CB 0.599 30.297 29.700 -0.003 0.000 1.065 487 E HN 0.147 nan 8.360 nan 0.000 0.512 488 K N -0.036 120.363 120.400 -0.002 0.000 2.352 488 K HA 0.093 4.412 4.320 -0.002 0.000 0.194 488 K C 1.145 177.744 176.600 -0.001 0.000 1.038 488 K CA 0.569 56.853 56.287 -0.004 0.000 1.023 488 K CB 0.775 33.268 32.500 -0.011 0.000 0.840 488 K HN 0.198 nan 8.250 nan 0.000 0.519 489 G N 2.291 111.091 108.800 0.001 0.000 2.200 489 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.268 489 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.268 489 G C 0.036 174.936 174.900 -0.001 0.000 0.986 489 G CA 1.274 46.376 45.100 0.004 0.000 0.677 489 G HN 0.447 nan 8.290 nan 0.000 0.532 490 E N -1.485 118.711 120.200 -0.006 0.000 2.423 490 E HA 0.757 5.106 4.350 -0.002 0.000 0.269 490 E C -0.671 175.919 176.600 -0.018 0.000 0.948 490 E CA -1.113 55.283 56.400 -0.007 0.000 0.802 490 E CB 1.132 30.829 29.700 -0.004 0.000 1.339 490 E HN 0.108 nan 8.360 nan 0.000 0.445 491 L N 2.605 123.818 121.223 -0.017 0.000 2.388 491 L HA 0.336 4.676 4.340 -0.002 0.000 0.267 491 L C -0.277 176.579 176.870 -0.022 0.000 0.995 491 L CA -0.746 54.075 54.840 -0.032 0.000 0.864 491 L CB 1.522 43.555 42.059 -0.044 0.000 1.216 491 L HN 0.513 nan 8.230 nan 0.000 0.430 492 S N 1.412 117.098 115.700 -0.024 0.000 2.585 492 S HA 0.189 4.658 4.470 -0.002 0.000 0.273 492 S C 1.016 175.605 174.600 -0.019 0.000 1.339 492 S CA -0.601 57.590 58.200 -0.016 0.000 1.028 492 S CB 1.346 64.537 63.200 -0.016 0.000 0.906 492 S HN 0.631 nan 8.310 nan 0.000 0.528 493 K N 1.180 121.576 120.400 -0.007 0.000 2.173 493 K HA -0.202 4.117 4.320 -0.002 0.000 0.207 493 K C 1.884 178.478 176.600 -0.010 0.000 1.046 493 K CA 2.038 58.324 56.287 -0.002 0.000 0.929 493 K CB -0.253 32.252 32.500 0.008 0.000 0.720 493 K HN 0.657 nan 8.250 nan 0.000 0.453 494 E N 0.804 120.995 120.200 -0.015 0.000 2.072 494 E HA -0.119 4.230 4.350 -0.002 0.000 0.191 494 E C 1.850 178.426 176.600 -0.039 0.000 0.985 494 E CA 0.871 57.259 56.400 -0.020 0.000 0.801 494 E CB -0.087 29.604 29.700 -0.016 0.000 0.750 494 E HN 0.164 nan 8.360 nan 0.000 0.452 495 L N -0.051 121.140 121.223 -0.054 0.000 2.093 495 L HA -0.163 4.176 4.340 -0.002 0.000 0.208 495 L C 2.142 178.931 176.870 -0.136 0.000 1.085 495 L CA 0.860 55.647 54.840 -0.088 0.000 0.755 495 L CB -0.223 41.785 42.059 -0.086 0.000 0.904 495 L HN 0.157 nan 8.230 nan 0.000 0.435 496 L N -0.966 120.185 121.223 -0.120 0.000 2.046 496 L HA -0.204 4.135 4.340 -0.002 0.000 0.208 496 L C 2.764 179.571 176.870 -0.105 0.000 1.077 496 L CA 1.274 56.019 54.840 -0.158 0.000 0.747 496 L CB -0.694 41.334 42.059 -0.051 0.000 0.896 496 L HN 0.244 nan 8.230 nan 0.000 0.432 497 A N -1.045 121.753 122.820 -0.038 0.000 1.930 497 A HA -0.168 4.151 4.320 -0.002 0.000 0.217 497 A C 2.487 180.057 177.584 -0.023 0.000 1.175 497 A CA 1.931 53.968 52.037 -0.000 0.000 0.627 497 A CB -0.554 18.453 19.000 0.012 0.000 0.815 497 A HN 0.358 nan 8.150 nan 0.000 0.443 498 S N -0.683 114.982 115.700 -0.058 0.000 2.402 498 S HA -0.094 4.375 4.470 -0.002 0.000 0.229 498 S C 1.808 176.330 174.600 -0.130 0.000 1.021 498 S CA 1.365 59.520 58.200 -0.075 0.000 0.974 498 S CB -0.279 62.875 63.200 -0.077 0.000 0.800 498 S HN 0.452 nan 8.310 nan 0.000 0.484 499 L N 2.086 123.200 121.223 -0.182 0.000 2.095 499 L HA 0.120 4.459 4.340 -0.002 0.000 0.204 499 L C 2.181 178.986 176.870 -0.108 0.000 1.080 499 L CA 1.688 56.384 54.840 -0.240 0.000 0.759 499 L CB -0.602 41.171 42.059 -0.477 0.000 0.914 499 L HN 0.090 nan 8.230 nan 0.000 0.439 500 K N -0.525 119.853 120.400 -0.037 0.000 2.059 500 K HA -0.248 4.071 4.320 -0.002 0.000 0.212 500 K C 2.104 178.794 176.600 0.149 0.000 1.050 500 K CA 2.225 58.626 56.287 0.189 0.000 0.927 500 K CB -0.247 32.381 32.500 0.214 0.000 0.714 500 K HN 0.607 nan 8.250 nan 0.000 0.447 501 S N 0.072 115.823 115.700 0.086 0.000 2.371 501 S HA -0.046 4.423 4.470 -0.002 0.000 0.224 501 S C 2.244 176.907 174.600 0.105 0.000 1.029 501 S CA 0.889 59.146 58.200 0.096 0.000 0.978 501 S CB -0.332 62.908 63.200 0.068 0.000 0.833 501 S HN 0.415 nan 8.310 nan 0.000 0.466 502 A N 1.663 124.489 122.820 0.010 0.000 1.972 502 A HA -0.003 4.316 4.320 -0.002 0.000 0.219 502 A C 2.343 180.102 177.584 0.293 0.000 1.169 502 A CA 1.971 53.985 52.037 -0.038 0.000 0.635 502 A CB -1.446 17.224 19.000 -0.551 0.000 0.810 502 A HN 0.574 nan 8.150 nan 0.000 0.446 503 T N -0.297 114.416 114.554 0.265 0.000 2.698 503 T HA -0.094 4.255 4.350 -0.002 0.000 0.260 503 T C 1.773 176.628 174.700 0.257 0.000 1.044 503 T CA 1.447 63.711 62.100 0.273 0.000 1.149 503 T CB -0.292 68.589 68.868 0.020 0.000 0.864 503 T HN 0.626 nan 8.240 nan 0.000 0.419 504 E N 0.986 121.333 120.200 0.245 0.000 2.147 504 E HA -0.181 4.168 4.350 -0.002 0.000 0.199 504 E C 2.397 179.107 176.600 0.183 0.000 1.005 504 E CA 1.331 57.874 56.400 0.239 0.000 0.810 504 E CB -0.209 29.619 29.700 0.213 0.000 0.736 504 E HN 0.310 nan 8.360 nan 0.000 0.460 505 S N -0.152 115.677 115.700 0.214 0.000 2.359 505 S HA -0.207 4.262 4.470 -0.002 0.000 0.224 505 S C 1.682 176.363 174.600 0.136 0.000 1.035 505 S CA 1.266 59.590 58.200 0.207 0.000 1.018 505 S CB -0.286 63.110 63.200 0.327 0.000 0.876 505 S HN 0.384 nan 8.310 nan 0.000 0.448 506 F N 1.809 121.759 119.950 0.000 0.000 2.407 506 F HA 0.086 4.612 4.527 -0.002 0.000 0.299 506 F C 1.896 177.634 175.800 -0.103 0.000 1.097 506 F CA 0.684 58.554 58.000 -0.217 0.000 1.422 506 F CB -0.252 38.655 39.000 -0.156 0.000 1.067 506 F HN 0.045 nan 8.300 nan 0.000 0.539 507 V N 0.645 120.566 119.914 0.013 0.000 2.324 507 V HA -0.265 3.854 4.120 -0.002 0.000 0.250 507 V C 2.003 178.016 176.094 -0.135 0.000 1.060 507 V CA 1.685 63.980 62.300 -0.009 0.000 1.042 507 V CB -1.590 30.281 31.823 0.081 0.000 0.650 507 V HN 0.399 nan 8.190 nan 0.000 0.450 508 A N -0.121 122.626 122.820 -0.122 0.000 3.202 508 A HA 0.456 4.775 4.320 -0.002 0.000 0.258 508 A C 0.698 178.154 177.584 -0.213 0.000 1.572 508 A CA 0.554 52.513 52.037 -0.130 0.000 1.241 508 A CB -1.030 17.933 19.000 -0.062 0.000 1.127 508 A HN 0.597 nan 8.150 nan 0.000 0.648 509 T N 0.000 114.322 114.554 -0.387 0.000 3.816 509 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 509 T CA 0.000 61.789 62.100 -0.519 0.000 1.349 509 T CB 0.000 68.707 68.868 -0.269 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658