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 1dpm_1_A DATA FIRST_RESID 35 DATA SEQUENCE ARINTVRGPI TISEAGFTLT HEHICGSSAG FLRAWPEFFG SRKALAEKAV DATA SEQUENCE RGLRRARAAG VRTIVDVSTF DIGRDVSLLA EVSRAADVHI VAATGLWFDP DATA SEQUENCE PLSMRLRSVE ELTQFFLREI QYGIEDTGIR AGIIKVATTG KATPFQELVL DATA SEQUENCE KAAARASLAT GVPVTTHTAA SQRDGEQQAA IFESEGLSPS RVCIGHSDDT DATA SEQUENCE DDLSYLTALA ARGYLIGLDH IPHSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWLF GFSSYVTNIM DVMDRVNPDG MAFIPLRVIP DATA SEQUENCE FLREKGVPQE TLAGITVTNP ARFLSPTLR 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 35 A HA 0.000 nan 4.320 nan 0.000 0.244 35 A C 0.000 177.560 177.584 -0.040 0.000 1.274 35 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 35 A CB 0.000 18.982 19.000 -0.029 0.000 0.831 36 R N -0.139 120.333 120.500 -0.047 0.000 2.803 36 R HA 0.769 5.110 4.340 0.001 0.000 0.276 36 R C -1.476 174.783 176.300 -0.067 0.000 0.978 36 R CA -0.538 55.529 56.100 -0.056 0.000 0.939 36 R CB 1.947 32.215 30.300 -0.053 0.000 1.179 36 R HN 0.381 nan 8.270 nan 0.000 0.472 37 I N 1.719 122.241 120.570 -0.080 0.000 2.441 37 I HA 0.224 4.395 4.170 0.001 0.000 0.295 37 I C -0.247 175.816 176.117 -0.090 0.000 0.994 37 I CA -1.000 60.248 61.300 -0.087 0.000 1.144 37 I CB 1.758 39.705 38.000 -0.089 0.000 1.314 37 I HN 0.311 nan 8.210 nan 0.000 0.445 38 N N 4.499 123.151 118.700 -0.081 0.000 2.430 38 N HA 0.225 4.965 4.740 0.001 0.000 0.265 38 N C -0.192 175.279 175.510 -0.066 0.000 1.100 38 N CA 0.005 53.012 53.050 -0.072 0.000 0.961 38 N CB 1.350 39.798 38.487 -0.066 0.000 1.075 38 N HN 0.686 nan 8.380 nan 0.000 0.478 39 T N -3.033 111.485 114.554 -0.060 0.000 2.940 39 T HA 0.308 4.659 4.350 0.001 0.000 0.288 39 T C 1.301 175.991 174.700 -0.016 0.000 1.045 39 T CA -0.860 61.219 62.100 -0.035 0.000 1.018 39 T CB 0.913 69.763 68.868 -0.030 0.000 1.151 39 T HN 0.117 nan 8.240 nan 0.000 0.529 40 V N -1.036 118.881 119.914 0.005 0.000 3.444 40 V HA 0.269 4.389 4.120 0.001 0.000 0.271 40 V C 1.673 177.773 176.094 0.009 0.000 1.188 40 V CA 0.658 62.960 62.300 0.004 0.000 1.168 40 V CB -1.337 30.492 31.823 0.011 0.000 0.810 40 V HN 0.847 nan 8.190 nan 0.000 0.500 41 R N 0.380 120.893 120.500 0.020 0.000 2.437 41 R HA 0.540 4.881 4.340 0.001 0.000 0.257 41 R C 0.880 177.184 176.300 0.006 0.000 0.927 41 R CA 0.523 56.637 56.100 0.024 0.000 1.078 41 R CB 1.073 31.407 30.300 0.057 0.000 1.161 41 R HN 0.705 nan 8.270 nan 0.000 0.529 42 G N 1.346 110.139 108.800 -0.012 0.000 2.316 42 G HA2 -0.115 3.845 3.960 0.001 0.000 0.349 42 G HA3 -0.115 3.845 3.960 0.001 0.000 0.349 42 G C -3.145 171.725 174.900 -0.050 0.000 1.274 42 G CA -1.187 43.895 45.100 -0.029 0.000 1.018 42 G HN -0.152 nan 8.290 nan 0.000 0.486 43 P HA 0.637 nan 4.420 nan 0.000 0.288 43 P C -0.159 177.086 177.300 -0.091 0.000 1.267 43 P CA -0.393 62.663 63.100 -0.073 0.000 0.815 43 P CB 1.270 32.935 31.700 -0.058 0.000 0.989 44 I N -1.270 119.222 120.570 -0.130 0.000 2.934 44 I HA 0.653 4.824 4.170 0.001 0.000 0.306 44 I C -0.033 176.017 176.117 -0.111 0.000 1.110 44 I CA -1.051 60.156 61.300 -0.155 0.000 1.019 44 I CB 2.403 40.202 38.000 -0.336 0.000 1.227 44 I HN 0.246 nan 8.210 nan 0.000 0.434 45 T N 1.068 115.573 114.554 -0.081 0.000 2.882 45 T HA 0.330 4.681 4.350 0.001 0.000 0.287 45 T C 1.376 176.044 174.700 -0.052 0.000 1.014 45 T CA -0.732 61.336 62.100 -0.053 0.000 1.049 45 T CB 1.051 69.901 68.868 -0.029 0.000 1.001 45 T HN 0.525 nan 8.240 nan 0.000 0.525 46 I N 1.938 122.486 120.570 -0.037 0.000 2.194 46 I HA -0.204 3.967 4.170 0.001 0.000 0.246 46 I C 2.903 179.016 176.117 -0.007 0.000 1.093 46 I CA 2.039 63.324 61.300 -0.025 0.000 1.355 46 I CB -2.132 35.856 38.000 -0.019 0.000 1.046 46 I HN 0.936 nan 8.210 nan 0.000 0.413 47 S N 0.580 116.279 115.700 -0.001 0.000 2.399 47 S HA -0.199 4.272 4.470 0.001 0.000 0.231 47 S C 1.801 176.421 174.600 0.032 0.000 1.022 47 S CA 1.150 59.359 58.200 0.015 0.000 0.983 47 S CB -0.582 62.625 63.200 0.013 0.000 0.803 47 S HN 0.527 nan 8.310 nan 0.000 0.480 48 E N 1.213 121.427 120.200 0.023 0.000 2.268 48 E HA 0.047 4.397 4.350 0.001 0.000 0.195 48 E C 2.240 178.899 176.600 0.098 0.000 0.995 48 E CA 0.684 57.120 56.400 0.059 0.000 0.836 48 E CB -0.328 29.379 29.700 0.012 0.000 0.763 48 E HN 0.758 nan 8.360 nan 0.000 0.491 49 A N 1.148 123.997 122.820 0.049 0.000 1.969 49 A HA 0.025 4.346 4.320 0.001 0.000 0.218 49 A C 1.582 179.263 177.584 0.162 0.000 1.169 49 A CA 1.260 53.360 52.037 0.105 0.000 0.635 49 A CB -0.974 18.057 19.000 0.051 0.000 0.810 49 A HN 0.368 nan 8.150 nan 0.000 0.445 50 G N -0.954 107.921 108.800 0.124 0.000 2.582 50 G HA2 -0.275 3.685 3.960 0.001 0.000 0.300 50 G HA3 -0.275 3.685 3.960 0.001 0.000 0.300 50 G C 0.071 175.083 174.900 0.187 0.000 1.300 50 G CA 0.176 45.359 45.100 0.140 0.000 0.959 50 G HN 1.084 nan 8.290 nan 0.000 0.548 51 F N 2.752 122.729 119.950 0.045 0.000 2.571 51 F HA 0.459 4.987 4.527 0.001 0.000 0.390 51 F C 0.931 176.763 175.800 0.054 0.000 1.043 51 F CA 0.619 58.644 58.000 0.042 0.000 1.164 51 F CB -0.011 39.008 39.000 0.031 0.000 1.049 51 F HN 0.440 nan 8.300 nan 0.000 0.552 52 T N 7.941 122.747 114.554 0.420 0.000 2.824 52 T HA 0.426 4.776 4.350 0.001 0.000 0.282 52 T C -0.241 174.658 174.700 0.332 0.000 0.993 52 T CA -0.657 61.638 62.100 0.325 0.000 0.967 52 T CB 1.192 70.164 68.868 0.172 0.000 0.960 52 T HN 0.384 nan 8.240 nan 0.000 0.441 53 L N 3.900 125.300 121.223 0.294 0.000 2.268 53 L HA 0.248 4.589 4.340 0.001 0.000 0.289 53 L C 1.919 178.888 176.870 0.164 0.000 1.064 53 L CA -0.427 54.555 54.840 0.236 0.000 0.824 53 L CB 0.818 42.993 42.059 0.193 0.000 1.202 53 L HN 0.901 nan 8.230 nan 0.000 0.433 54 T N -1.581 113.062 114.554 0.149 0.000 3.085 54 T HA -0.106 4.244 4.350 0.001 0.000 0.263 54 T C 0.602 175.387 174.700 0.142 0.000 1.127 54 T CA 0.632 62.812 62.100 0.134 0.000 1.103 54 T CB -0.235 68.698 68.868 0.109 0.000 0.921 54 T HN 0.607 nan 8.240 nan 0.000 0.510 55 H N 0.400 119.484 119.070 0.024 0.000 3.162 55 H HA 0.467 5.024 4.556 0.001 0.000 0.309 55 H C -1.054 174.246 175.328 -0.047 0.000 1.156 55 H CA -0.668 55.363 56.048 -0.028 0.000 1.586 55 H CB 0.633 30.393 29.762 -0.003 0.000 1.740 55 H HN 0.072 nan 8.280 nan 0.000 0.525 56 E N 2.606 122.790 120.200 -0.027 0.000 2.442 56 E HA 0.357 4.707 4.350 0.001 0.000 0.271 56 E C -1.019 175.347 176.600 -0.389 0.000 1.002 56 E CA -0.914 55.468 56.400 -0.030 0.000 0.864 56 E CB 2.241 31.976 29.700 0.058 0.000 1.573 56 E HN 0.610 nan 8.360 nan 0.000 0.456 57 H N 0.249 119.306 119.070 -0.021 0.000 3.038 57 H HA 0.279 4.836 4.556 0.001 0.000 0.362 57 H C 0.722 176.006 175.328 -0.074 0.000 1.167 57 H CA -0.530 55.462 56.048 -0.093 0.000 1.197 57 H CB 1.676 31.317 29.762 -0.201 0.000 1.840 57 H HN 0.251 nan 8.280 nan 0.000 0.540 58 I N 0.519 121.160 120.570 0.118 0.000 2.406 58 I HA -0.056 4.115 4.170 0.001 0.000 0.249 58 I C 1.157 177.351 176.117 0.128 0.000 1.122 58 I CA 1.004 62.439 61.300 0.225 0.000 1.431 58 I CB -0.063 38.036 38.000 0.165 0.000 1.087 58 I HN 0.391 nan 8.210 nan 0.000 0.424 59 C N 0.186 119.485 119.300 -0.002 0.000 2.891 59 C HA 0.726 5.187 4.460 0.001 0.000 0.342 59 C C 0.234 175.110 174.990 -0.190 0.000 1.126 59 C CA -0.620 58.334 59.018 -0.107 0.000 1.322 59 C CB 0.777 28.409 27.740 -0.180 0.000 1.763 59 C HN 0.496 nan 8.230 nan 0.000 0.491 60 G N 3.670 112.307 108.800 -0.273 0.000 2.504 60 G HA2 0.541 4.501 3.960 0.001 0.000 0.326 60 G HA3 0.541 4.501 3.960 0.001 0.000 0.326 60 G C -0.089 174.750 174.900 -0.101 0.000 1.073 60 G CA 0.402 45.257 45.100 -0.410 0.000 1.030 60 G HN 1.043 nan 8.290 nan 0.000 0.448 61 S N 1.357 116.966 115.700 -0.151 0.000 4.205 61 S HA 0.843 5.313 4.470 0.001 0.000 0.268 61 S C -0.123 174.390 174.600 -0.145 0.000 1.082 61 S CA -0.286 57.868 58.200 -0.077 0.000 1.431 61 S CB 1.164 64.413 63.200 0.081 0.000 1.370 61 S HN 0.544 nan 8.310 nan 0.000 0.740 62 S N 0.218 115.864 115.700 -0.090 0.000 2.579 62 S HA 0.748 5.219 4.470 0.001 0.000 0.272 62 S C -0.948 173.633 174.600 -0.031 0.000 1.141 62 S CA -0.190 57.971 58.200 -0.066 0.000 0.843 62 S CB 1.467 64.628 63.200 -0.065 0.000 1.122 62 S HN 1.051 nan 8.310 nan 0.000 0.468 63 A N 0.692 123.410 122.820 -0.171 0.000 2.566 63 A HA 0.477 4.797 4.320 0.001 0.000 0.245 63 A C 1.553 179.112 177.584 -0.042 0.000 1.056 63 A CA 0.820 52.685 52.037 -0.287 0.000 0.757 63 A CB -1.285 17.294 19.000 -0.701 0.000 0.979 63 A HN 2.080 nan 8.150 nan 0.000 0.508 64 G N 1.633 110.444 108.800 0.020 0.000 2.245 64 G HA2 -0.384 3.577 3.960 0.001 0.000 0.264 64 G HA3 -0.384 3.577 3.960 0.001 0.000 0.264 64 G C 0.893 175.881 174.900 0.148 0.000 0.985 64 G CA 1.050 46.202 45.100 0.087 0.000 0.625 64 G HN 1.186 nan 8.290 nan 0.000 0.536 65 F N 0.746 120.731 119.950 0.059 0.000 2.095 65 F HA 0.076 4.604 4.527 0.001 0.000 0.298 65 F C 2.503 178.432 175.800 0.215 0.000 1.104 65 F CA 2.379 60.458 58.000 0.131 0.000 1.232 65 F CB -0.303 38.755 39.000 0.097 0.000 0.987 65 F HN 0.238 nan 8.300 nan 0.000 0.475 66 L N 0.638 122.070 121.223 0.348 0.000 2.042 66 L HA -0.201 4.139 4.340 0.001 0.000 0.210 66 L C 2.398 179.347 176.870 0.132 0.000 1.076 66 L CA 1.867 56.861 54.840 0.256 0.000 0.749 66 L CB -0.743 41.388 42.059 0.119 0.000 0.893 66 L HN 0.045 nan 8.230 nan 0.000 0.432 67 R N -1.217 119.338 120.500 0.092 0.000 2.115 67 R HA 0.041 4.382 4.340 0.001 0.000 0.226 67 R C 2.200 178.523 176.300 0.038 0.000 1.100 67 R CA 1.123 57.261 56.100 0.063 0.000 0.980 67 R CB -0.344 29.991 30.300 0.059 0.000 0.875 67 R HN 0.529 nan 8.270 nan 0.000 0.445 68 A N -0.868 121.953 122.820 0.003 0.000 1.903 68 A HA -0.080 4.240 4.320 0.001 0.000 0.213 68 A C 0.615 178.179 177.584 -0.034 0.000 1.185 68 A CA 0.603 52.615 52.037 -0.042 0.000 0.628 68 A CB -0.020 18.933 19.000 -0.078 0.000 0.830 68 A HN 0.436 nan 8.150 nan 0.000 0.446 69 W N 1.108 122.180 121.300 -0.381 0.000 1.506 69 W HA 0.396 5.057 4.660 0.001 0.000 0.296 69 W C -2.490 173.953 176.519 -0.126 0.000 0.847 69 W CA -2.498 54.634 57.345 -0.355 0.000 2.203 69 W CB 0.923 29.936 29.460 -0.745 0.000 2.219 69 W HN 0.194 nan 8.180 nan 0.000 0.464 70 P HA -0.213 nan 4.420 nan 0.000 0.219 70 P C 0.893 178.369 177.300 0.293 0.000 1.146 70 P CA 1.828 65.109 63.100 0.302 0.000 0.808 70 P CB 0.444 32.260 31.700 0.194 0.000 0.779 71 E N -1.072 119.266 120.200 0.230 0.000 2.338 71 E HA -0.116 4.235 4.350 0.001 0.000 0.197 71 E C 1.544 178.107 176.600 -0.061 0.000 1.007 71 E CA 0.474 56.956 56.400 0.136 0.000 0.849 71 E CB -1.294 28.525 29.700 0.199 0.000 0.774 71 E HN 0.305 nan 8.360 nan 0.000 0.506 72 F N -0.392 119.262 119.950 -0.493 0.000 2.408 72 F HA -0.072 4.456 4.527 0.001 0.000 0.300 72 F C 0.661 176.094 175.800 -0.613 0.000 1.090 72 F CA 0.879 58.370 58.000 -0.847 0.000 1.427 72 F CB 0.164 38.420 39.000 -1.239 0.000 1.070 72 F HN -0.056 nan 8.300 nan 0.000 0.549 73 F N -0.181 119.774 119.950 0.010 0.000 2.708 73 F HA 0.410 4.938 4.527 0.001 0.000 0.300 73 F C 1.538 177.322 175.800 -0.026 0.000 1.118 73 F CA 0.318 58.325 58.000 0.013 0.000 1.307 73 F CB 0.368 39.452 39.000 0.141 0.000 0.986 73 F HN 0.100 nan 8.300 nan 0.000 0.522 74 G N 0.719 109.549 108.800 0.049 0.000 3.909 74 G HA2 -0.257 3.703 3.960 0.001 0.000 0.218 74 G HA3 -0.257 3.703 3.960 0.001 0.000 0.218 74 G C 0.291 175.240 174.900 0.082 0.000 1.404 74 G CA 0.204 45.326 45.100 0.035 0.000 0.905 74 G HN 0.934 nan 8.290 nan 0.000 0.589 75 S N -1.293 114.483 115.700 0.127 0.000 2.597 75 S HA 0.652 5.123 4.470 0.001 0.000 0.274 75 S C 0.351 175.023 174.600 0.121 0.000 1.132 75 S CA 0.636 58.907 58.200 0.118 0.000 0.835 75 S CB 1.520 64.765 63.200 0.074 0.000 1.092 75 S HN 0.874 nan 8.310 nan 0.000 0.457 76 R N 1.068 121.627 120.500 0.098 0.000 2.096 76 R HA -0.051 4.290 4.340 0.001 0.000 0.235 76 R C 2.029 178.345 176.300 0.026 0.000 1.127 76 R CA 1.719 57.853 56.100 0.057 0.000 0.968 76 R CB -0.393 29.935 30.300 0.048 0.000 0.861 76 R HN 0.766 nan 8.270 nan 0.000 0.440 77 K N -0.190 120.228 120.400 0.029 0.000 2.097 77 K HA -0.096 4.224 4.320 0.001 0.000 0.205 77 K C 1.880 178.484 176.600 0.008 0.000 1.050 77 K CA 1.275 57.569 56.287 0.012 0.000 0.938 77 K CB -0.078 32.432 32.500 0.016 0.000 0.718 77 K HN 0.235 nan 8.250 nan 0.000 0.442 78 A N 1.338 124.175 122.820 0.027 0.000 1.898 78 A HA -0.143 4.178 4.320 0.001 0.000 0.216 78 A C 2.024 179.622 177.584 0.022 0.000 1.181 78 A CA 1.257 53.310 52.037 0.028 0.000 0.620 78 A CB -0.546 18.483 19.000 0.049 0.000 0.819 78 A HN 0.388 nan 8.150 nan 0.000 0.442 79 L N -0.173 121.070 121.223 0.034 0.000 2.046 79 L HA -0.021 4.319 4.340 0.001 0.000 0.208 79 L C 2.566 179.409 176.870 -0.045 0.000 1.077 79 L CA 2.310 57.157 54.840 0.011 0.000 0.747 79 L CB -0.823 41.213 42.059 -0.037 0.000 0.896 79 L HN 0.307 nan 8.230 nan 0.000 0.432 80 A N -0.656 122.135 122.820 -0.049 0.000 1.902 80 A HA -0.232 4.089 4.320 0.001 0.000 0.217 80 A C 2.190 179.711 177.584 -0.105 0.000 1.181 80 A CA 1.900 53.893 52.037 -0.074 0.000 0.623 80 A CB -0.691 18.281 19.000 -0.048 0.000 0.818 80 A HN 0.641 nan 8.150 nan 0.000 0.443 81 E N -0.581 119.573 120.200 -0.076 0.000 2.077 81 E HA -0.192 4.158 4.350 0.001 0.000 0.193 81 E C 2.106 178.629 176.600 -0.127 0.000 0.989 81 E CA 1.237 57.586 56.400 -0.084 0.000 0.800 81 E CB -0.127 29.546 29.700 -0.046 0.000 0.746 81 E HN 0.625 nan 8.360 nan 0.000 0.452 82 K N 0.651 120.980 120.400 -0.119 0.000 2.063 82 K HA -0.169 4.152 4.320 0.001 0.000 0.208 82 K C 2.116 178.445 176.600 -0.451 0.000 1.048 82 K CA 1.206 57.405 56.287 -0.148 0.000 0.928 82 K CB -0.092 32.395 32.500 -0.022 0.000 0.713 82 K HN 0.072 nan 8.250 nan 0.000 0.442 83 A N 0.476 122.937 122.820 -0.599 0.000 1.898 83 A HA -0.095 4.225 4.320 0.001 0.000 0.216 83 A C 2.210 179.370 177.584 -0.707 0.000 1.181 83 A CA 1.465 52.827 52.037 -1.126 0.000 0.620 83 A CB -0.478 18.195 19.000 -0.547 0.000 0.819 83 A HN 0.170 nan 8.150 nan 0.000 0.442 84 V N 0.105 119.803 119.914 -0.361 0.000 2.307 84 V HA -0.244 3.876 4.120 0.001 0.000 0.245 84 V C 2.627 178.605 176.094 -0.194 0.000 1.045 84 V CA 2.087 64.257 62.300 -0.215 0.000 1.024 84 V CB -0.825 30.916 31.823 -0.137 0.000 0.651 84 V HN 0.518 nan 8.190 nan 0.000 0.449 85 R N 0.285 120.671 120.500 -0.190 0.000 2.080 85 R HA -0.157 4.184 4.340 0.001 0.000 0.236 85 R C 2.501 178.733 176.300 -0.114 0.000 1.137 85 R CA 1.711 57.736 56.100 -0.124 0.000 0.943 85 R CB -1.105 29.141 30.300 -0.091 0.000 0.846 85 R HN 0.585 nan 8.270 nan 0.000 0.431 86 G N 1.379 110.063 108.800 -0.193 0.000 2.469 86 G HA2 -0.242 3.718 3.960 0.001 0.000 0.219 86 G HA3 -0.242 3.718 3.960 0.001 0.000 0.219 86 G C 1.487 176.417 174.900 0.050 0.000 1.150 86 G CA 0.634 45.729 45.100 -0.008 0.000 0.763 86 G HN 0.144 nan 8.290 nan 0.000 0.561 87 L N -0.514 120.676 121.223 -0.055 0.000 2.109 87 L HA 0.026 4.366 4.340 0.001 0.000 0.207 87 L C 3.159 180.010 176.870 -0.032 0.000 1.086 87 L CA 0.650 55.494 54.840 0.007 0.000 0.760 87 L CB -0.329 41.718 42.059 -0.019 0.000 0.910 87 L HN 0.153 nan 8.230 nan 0.000 0.437 88 R N -0.101 120.364 120.500 -0.057 0.000 2.081 88 R HA -0.123 4.218 4.340 0.001 0.000 0.235 88 R C 2.440 178.711 176.300 -0.050 0.000 1.131 88 R CA 1.178 57.244 56.100 -0.056 0.000 0.960 88 R CB -0.215 30.050 30.300 -0.059 0.000 0.856 88 R HN 0.356 nan 8.270 nan 0.000 0.436 89 R N 0.038 120.515 120.500 -0.039 0.000 2.092 89 R HA -0.049 4.292 4.340 0.001 0.000 0.231 89 R C 2.248 178.515 176.300 -0.056 0.000 1.119 89 R CA 1.289 57.366 56.100 -0.039 0.000 0.970 89 R CB -0.256 30.030 30.300 -0.023 0.000 0.864 89 R HN 0.192 nan 8.270 nan 0.000 0.440 90 A N 1.152 123.944 122.820 -0.047 0.000 1.929 90 A HA -0.155 4.166 4.320 0.001 0.000 0.216 90 A C 2.144 179.648 177.584 -0.133 0.000 1.176 90 A CA 1.096 53.078 52.037 -0.091 0.000 0.628 90 A CB -0.378 18.591 19.000 -0.052 0.000 0.816 90 A HN 0.209 nan 8.150 nan 0.000 0.444 91 R N -0.156 120.287 120.500 -0.096 0.000 2.073 91 R HA -0.107 4.234 4.340 0.001 0.000 0.234 91 R C 2.242 178.484 176.300 -0.097 0.000 1.134 91 R CA 1.552 57.592 56.100 -0.100 0.000 0.952 91 R CB -0.455 29.799 30.300 -0.077 0.000 0.850 91 R HN 0.401 nan 8.270 nan 0.000 0.433 92 A N 0.534 123.306 122.820 -0.080 0.000 1.978 92 A HA -0.113 4.207 4.320 0.001 0.000 0.220 92 A C 2.195 179.731 177.584 -0.080 0.000 1.170 92 A CA 1.735 53.731 52.037 -0.068 0.000 0.636 92 A CB -0.681 18.286 19.000 -0.055 0.000 0.810 92 A HN 0.543 nan 8.150 nan 0.000 0.448 93 A N -2.328 120.425 122.820 -0.111 0.000 2.238 93 A HA 0.422 4.742 4.320 0.001 0.000 0.208 93 A C 1.707 179.188 177.584 -0.171 0.000 1.177 93 A CA 1.270 53.229 52.037 -0.131 0.000 0.804 93 A CB -0.670 18.239 19.000 -0.152 0.000 0.823 93 A HN 1.804 nan 8.150 nan 0.000 0.482 94 G N -2.056 106.639 108.800 -0.175 0.000 2.255 94 G HA2 -0.170 3.790 3.960 0.001 0.000 0.196 94 G HA3 -0.170 3.790 3.960 0.001 0.000 0.196 94 G C 0.155 174.891 174.900 -0.273 0.000 0.998 94 G CA -0.114 44.889 45.100 -0.162 0.000 0.656 94 G HN 0.664 nan 8.290 nan 0.000 0.490 95 V N 1.694 121.342 119.914 -0.443 0.000 2.485 95 V HA 0.292 4.413 4.120 0.001 0.000 0.287 95 V C 1.610 177.634 176.094 -0.117 0.000 1.022 95 V CA 0.916 62.976 62.300 -0.400 0.000 1.067 95 V CB 1.077 32.692 31.823 -0.347 0.000 0.967 95 V HN 0.434 nan 8.190 nan 0.000 0.479 96 R N 2.050 122.560 120.500 0.017 0.000 2.195 96 R HA 0.192 4.533 4.340 0.001 0.000 0.197 96 R C 0.122 176.463 176.300 0.068 0.000 0.990 96 R CA 0.440 56.558 56.100 0.031 0.000 1.048 96 R CB 0.666 31.029 30.300 0.105 0.000 0.997 96 R HN 0.722 nan 8.270 nan 0.000 0.502 97 T N 1.109 115.750 114.554 0.144 0.000 2.933 97 T HA 0.485 4.835 4.350 0.001 0.000 0.305 97 T C -0.788 174.000 174.700 0.146 0.000 1.092 97 T CA -0.667 61.538 62.100 0.175 0.000 1.008 97 T CB 2.315 71.312 68.868 0.214 0.000 1.102 97 T HN 0.163 nan 8.240 nan 0.000 0.469 98 I N -0.945 119.697 120.570 0.121 0.000 2.689 98 I HA 0.875 5.045 4.170 0.001 0.000 0.299 98 I C -1.183 174.979 176.117 0.075 0.000 1.059 98 I CA -1.292 60.071 61.300 0.105 0.000 1.055 98 I CB 1.974 40.033 38.000 0.097 0.000 1.243 98 I HN 0.298 nan 8.210 nan 0.000 0.425 99 V N 4.034 123.981 119.914 0.056 0.000 2.318 99 V HA 0.247 4.368 4.120 0.001 0.000 0.271 99 V C -0.393 175.664 176.094 -0.063 0.000 1.030 99 V CA -0.198 62.106 62.300 0.008 0.000 0.844 99 V CB 0.841 32.679 31.823 0.026 0.000 1.015 99 V HN 0.755 nan 8.190 nan 0.000 0.460 100 D N 4.607 124.963 120.400 -0.073 0.000 2.365 100 D HA 0.112 4.752 4.640 0.001 0.000 0.237 100 D C 0.735 176.912 176.300 -0.204 0.000 1.190 100 D CA -0.351 53.564 54.000 -0.143 0.000 0.867 100 D CB 1.870 42.638 40.800 -0.053 0.000 1.050 100 D HN 0.447 nan 8.370 nan 0.000 0.491 101 V N 1.867 121.545 119.914 -0.392 0.000 3.350 101 V HA 0.238 4.359 4.120 0.001 0.000 0.354 101 V C 0.262 176.218 176.094 -0.229 0.000 1.257 101 V CA -0.576 61.508 62.300 -0.361 0.000 1.323 101 V CB -0.985 30.499 31.823 -0.564 0.000 1.201 101 V HN 0.300 nan 8.190 nan 0.000 0.447 102 S N 2.552 118.184 115.700 -0.114 0.000 2.474 102 S HA 0.465 4.936 4.470 0.001 0.000 0.276 102 S C 0.817 175.398 174.600 -0.031 0.000 1.227 102 S CA 0.121 58.302 58.200 -0.031 0.000 1.050 102 S CB 0.863 64.066 63.200 0.006 0.000 0.939 102 S HN 0.896 nan 8.310 nan 0.000 0.490 103 T N 0.475 115.016 114.554 -0.022 0.000 2.849 103 T HA 0.410 4.761 4.350 0.001 0.000 0.276 103 T C 0.987 175.784 174.700 0.162 0.000 0.971 103 T CA -0.811 61.347 62.100 0.097 0.000 0.949 103 T CB 0.134 69.103 68.868 0.168 0.000 1.093 103 T HN 0.369 nan 8.240 nan 0.000 0.545 104 F N 2.085 122.136 119.950 0.168 0.000 2.087 104 F HA -0.195 4.332 4.527 0.001 0.000 0.299 104 F C 2.103 177.989 175.800 0.144 0.000 1.100 104 F CA 2.440 60.557 58.000 0.196 0.000 1.226 104 F CB -0.547 38.651 39.000 0.329 0.000 0.983 104 F HN 0.738 nan 8.300 nan 0.000 0.479 105 D N 0.113 120.568 120.400 0.092 0.000 2.371 105 D HA -0.165 4.476 4.640 0.001 0.000 0.221 105 D C 1.901 178.177 176.300 -0.040 0.000 0.986 105 D CA 1.020 55.021 54.000 0.002 0.000 0.899 105 D CB -0.822 40.132 40.800 0.257 0.000 0.902 105 D HN 0.504 nan 8.370 nan 0.000 0.530 106 I N -0.129 120.359 120.570 -0.136 0.000 3.728 106 I HA 0.144 4.315 4.170 0.001 0.000 0.307 106 I C 1.424 177.416 176.117 -0.208 0.000 1.276 106 I CA 0.439 61.549 61.300 -0.316 0.000 1.285 106 I CB 0.095 37.803 38.000 -0.485 0.000 1.038 106 I HN 0.178 nan 8.210 nan 0.000 0.445 107 G N 2.365 111.067 108.800 -0.164 0.000 2.137 107 G HA2 -0.311 3.649 3.960 0.001 0.000 0.237 107 G HA3 -0.311 3.649 3.960 0.001 0.000 0.237 107 G C 0.502 175.368 174.900 -0.056 0.000 1.002 107 G CA -0.082 44.953 45.100 -0.108 0.000 0.702 107 G HN 0.453 nan 8.290 nan 0.000 0.515 108 R N 0.528 121.003 120.500 -0.042 0.000 2.523 108 R HA 0.156 4.497 4.340 0.001 0.000 0.281 108 R C -0.955 175.362 176.300 0.029 0.000 0.969 108 R CA 0.857 56.957 56.100 0.001 0.000 1.093 108 R CB 0.238 30.564 30.300 0.043 0.000 0.917 108 R HN 0.143 nan 8.270 nan 0.000 0.408 109 D N 5.100 125.512 120.400 0.020 0.000 2.438 109 D HA 0.029 4.669 4.640 0.001 0.000 0.257 109 D C 0.768 177.084 176.300 0.028 0.000 1.148 109 D CA -0.393 53.625 54.000 0.031 0.000 0.902 109 D CB 1.550 42.361 40.800 0.018 0.000 1.062 109 D HN 0.350 nan 8.370 nan 0.000 0.518 110 V N 3.731 123.669 119.914 0.040 0.000 2.392 110 V HA -0.239 3.881 4.120 0.001 0.000 0.249 110 V C 2.205 178.312 176.094 0.021 0.000 1.059 110 V CA 3.023 65.341 62.300 0.030 0.000 1.051 110 V CB -0.321 31.523 31.823 0.036 0.000 0.658 110 V HN 0.675 nan 8.190 nan 0.000 0.455 111 S N -0.443 115.272 115.700 0.025 0.000 2.399 111 S HA -0.208 4.263 4.470 0.001 0.000 0.231 111 S C 1.951 176.557 174.600 0.010 0.000 1.022 111 S CA 1.879 60.089 58.200 0.018 0.000 0.983 111 S CB -0.595 62.619 63.200 0.022 0.000 0.803 111 S HN 0.566 nan 8.310 nan 0.000 0.480 112 L N 0.390 121.618 121.223 0.008 0.000 2.072 112 L HA 0.184 4.524 4.340 0.001 0.000 0.205 112 L C 2.225 179.094 176.870 -0.002 0.000 1.079 112 L CA 1.319 56.158 54.840 -0.003 0.000 0.752 112 L CB -0.666 41.384 42.059 -0.015 0.000 0.906 112 L HN 0.266 nan 8.230 nan 0.000 0.436 113 L N 0.040 121.267 121.223 0.007 0.000 2.017 113 L HA -0.141 4.200 4.340 0.001 0.000 0.208 113 L C 2.693 179.570 176.870 0.011 0.000 1.073 113 L CA 2.039 56.887 54.840 0.013 0.000 0.745 113 L CB -1.399 40.670 42.059 0.016 0.000 0.894 113 L HN 0.367 nan 8.230 nan 0.000 0.432 114 A N -1.034 121.791 122.820 0.009 0.000 1.908 114 A HA -0.279 4.041 4.320 0.001 0.000 0.218 114 A C 2.344 179.929 177.584 0.002 0.000 1.181 114 A CA 1.923 53.965 52.037 0.008 0.000 0.627 114 A CB -0.631 18.373 19.000 0.006 0.000 0.818 114 A HN 0.533 nan 8.150 nan 0.000 0.445 115 E N 0.131 120.329 120.200 -0.003 0.000 2.051 115 E HA -0.158 4.193 4.350 0.001 0.000 0.192 115 E C 1.999 178.586 176.600 -0.020 0.000 0.991 115 E CA 2.063 58.456 56.400 -0.011 0.000 0.799 115 E CB -0.237 29.456 29.700 -0.011 0.000 0.748 115 E HN 0.556 nan 8.360 nan 0.000 0.449 116 V N -0.815 119.084 119.914 -0.025 0.000 2.667 116 V HA -0.126 3.995 4.120 0.001 0.000 0.252 116 V C 2.335 178.410 176.094 -0.031 0.000 1.065 116 V CA 1.925 64.200 62.300 -0.042 0.000 1.083 116 V CB -0.441 31.346 31.823 -0.061 0.000 0.692 116 V HN 0.252 nan 8.190 nan 0.000 0.468 117 S N 0.770 116.463 115.700 -0.011 0.000 2.368 117 S HA -0.207 4.263 4.470 0.001 0.000 0.225 117 S C 2.227 176.817 174.600 -0.017 0.000 1.030 117 S CA 1.811 60.008 58.200 -0.004 0.000 0.999 117 S CB -0.417 62.797 63.200 0.022 0.000 0.844 117 S HN 0.720 nan 8.310 nan 0.000 0.459 118 R N 0.680 121.172 120.500 -0.013 0.000 2.066 118 R HA 0.023 4.364 4.340 0.001 0.000 0.232 118 R C 2.701 178.984 176.300 -0.028 0.000 1.131 118 R CA 1.344 57.435 56.100 -0.015 0.000 0.955 118 R CB -0.713 29.581 30.300 -0.009 0.000 0.851 118 R HN 0.521 nan 8.270 nan 0.000 0.432 119 A N 1.189 123.989 122.820 -0.032 0.000 1.898 119 A HA -0.002 4.318 4.320 0.001 0.000 0.216 119 A C 2.215 179.769 177.584 -0.049 0.000 1.181 119 A CA 1.565 53.578 52.037 -0.039 0.000 0.620 119 A CB -0.330 18.644 19.000 -0.043 0.000 0.819 119 A HN 0.379 nan 8.150 nan 0.000 0.442 120 A N -1.712 121.075 122.820 -0.056 0.000 2.195 120 A HA 0.308 4.629 4.320 0.001 0.000 0.210 120 A C 0.775 178.318 177.584 -0.068 0.000 1.165 120 A CA 1.090 53.089 52.037 -0.064 0.000 0.806 120 A CB -0.198 18.762 19.000 -0.067 0.000 0.847 120 A HN 0.531 nan 8.150 nan 0.000 0.482 121 D N -1.212 119.146 120.400 -0.070 0.000 2.716 121 D HA -0.124 4.517 4.640 0.001 0.000 0.239 121 D C -0.752 175.458 176.300 -0.151 0.000 1.125 121 D CA 0.896 54.837 54.000 -0.098 0.000 0.681 121 D CB -1.588 39.160 40.800 -0.087 0.000 1.070 121 D HN 0.197 nan 8.370 nan 0.000 0.432 122 V N 2.018 121.854 119.914 -0.130 0.000 2.656 122 V HA 0.361 4.482 4.120 0.001 0.000 0.307 122 V C 0.388 176.423 176.094 -0.098 0.000 1.051 122 V CA -0.955 61.258 62.300 -0.144 0.000 0.893 122 V CB 2.005 33.792 31.823 -0.059 0.000 0.999 122 V HN 0.209 nan 8.190 nan 0.000 0.426 123 H N 4.335 123.414 119.070 0.015 0.000 2.732 123 H HA 0.491 5.047 4.556 0.001 0.000 0.351 123 H C -0.421 174.919 175.328 0.019 0.000 1.090 123 H CA 0.183 56.240 56.048 0.015 0.000 1.431 123 H CB 1.044 30.817 29.762 0.019 0.000 1.447 123 H HN 0.420 nan 8.280 nan 0.000 0.582 124 I N 2.929 123.589 120.570 0.149 0.000 2.447 124 I HA 0.118 4.289 4.170 0.001 0.000 0.287 124 I C -0.346 175.799 176.117 0.047 0.000 1.023 124 I CA -0.809 60.540 61.300 0.082 0.000 1.083 124 I CB 2.125 40.158 38.000 0.056 0.000 1.245 124 I HN 0.121 nan 8.210 nan 0.000 0.434 125 V N 5.668 125.598 119.914 0.027 0.000 2.383 125 V HA 0.552 4.672 4.120 0.001 0.000 0.275 125 V C 0.622 176.702 176.094 -0.024 0.000 1.036 125 V CA -0.414 61.882 62.300 -0.007 0.000 0.889 125 V CB 1.317 33.132 31.823 -0.014 0.000 0.985 125 V HN 0.835 nan 8.190 nan 0.000 0.459 126 A N 4.453 127.254 122.820 -0.032 0.000 2.286 126 A HA 0.923 5.244 4.320 0.001 0.000 0.286 126 A C 0.210 177.759 177.584 -0.059 0.000 1.097 126 A CA 0.028 52.043 52.037 -0.037 0.000 0.821 126 A CB 1.016 20.003 19.000 -0.022 0.000 1.076 126 A HN 1.259 nan 8.150 nan 0.000 0.490 127 A N -0.069 122.714 122.820 -0.060 0.000 2.430 127 A HA 0.843 5.163 4.320 0.001 0.000 0.300 127 A C -0.016 177.523 177.584 -0.075 0.000 1.124 127 A CA -0.004 51.983 52.037 -0.083 0.000 0.766 127 A CB 1.464 20.406 19.000 -0.096 0.000 1.328 127 A HN 1.244 nan 8.150 nan 0.000 0.424 128 T N -1.332 113.141 114.554 -0.134 0.000 2.807 128 T HA 0.807 5.158 4.350 0.001 0.000 0.277 128 T C 0.301 174.831 174.700 -0.284 0.000 1.006 128 T CA 0.919 62.913 62.100 -0.176 0.000 1.006 128 T CB 1.224 69.948 68.868 -0.240 0.000 1.274 128 T HN 2.701 nan 8.240 nan 0.000 0.569 129 G N -0.021 108.485 108.800 -0.491 0.000 2.396 129 G HA2 0.143 4.104 3.960 0.001 0.000 0.254 129 G HA3 0.143 4.104 3.960 0.001 0.000 0.254 129 G C -1.911 173.020 174.900 0.051 0.000 1.248 129 G CA -0.353 44.340 45.100 -0.680 0.000 1.033 129 G HN 0.915 nan 8.290 nan 0.000 0.502 130 L N -1.414 119.923 121.223 0.190 0.000 2.465 130 L HA 0.668 5.009 4.340 0.001 0.000 0.257 130 L C -0.098 176.993 176.870 0.368 0.000 0.988 130 L CA -0.758 54.312 54.840 0.383 0.000 0.827 130 L CB 2.373 44.729 42.059 0.495 0.000 1.397 130 L HN 0.849 nan 8.230 nan 0.000 0.410 131 W N 1.597 122.972 121.300 0.124 0.000 2.093 131 W HA 0.378 5.039 4.660 0.001 0.000 0.626 131 W C 0.527 177.096 176.519 0.083 0.000 1.436 131 W CA -0.098 57.250 57.345 0.006 0.000 1.314 131 W CB 0.364 29.712 29.460 -0.186 0.000 3.308 131 W HN 0.302 nan 8.180 nan 0.000 0.758 132 F N 0.811 120.492 119.950 -0.449 0.000 2.684 132 F HA 0.348 4.876 4.527 0.001 0.000 0.298 132 F C 0.025 175.649 175.800 -0.293 0.000 1.120 132 F CA -0.579 57.150 58.000 -0.452 0.000 1.332 132 F CB -0.426 38.181 39.000 -0.654 0.000 0.986 132 F HN 0.030 nan 8.300 nan 0.000 0.524 133 D N 2.020 122.412 120.400 -0.014 0.000 2.895 133 D HA 0.251 4.892 4.640 0.001 0.000 0.350 133 D C -2.749 173.647 176.300 0.159 0.000 1.389 133 D CA -1.927 52.129 54.000 0.093 0.000 0.812 133 D CB 0.626 41.513 40.800 0.146 0.000 1.164 133 D HN 0.046 nan 8.370 nan 0.000 0.455 134 P HA 0.248 nan 4.420 nan 0.000 0.271 134 P C -2.559 174.802 177.300 0.103 0.000 1.218 134 P CA -0.990 62.238 63.100 0.213 0.000 0.780 134 P CB 0.746 32.611 31.700 0.274 0.000 0.901 135 P HA 0.259 nan 4.420 nan 0.000 0.282 135 P C 1.220 178.513 177.300 -0.011 0.000 1.287 135 P CA -0.564 62.574 63.100 0.064 0.000 0.792 135 P CB 1.030 32.800 31.700 0.116 0.000 1.163 136 L N -0.246 120.961 121.223 -0.026 0.000 2.079 136 L HA -0.188 4.153 4.340 0.001 0.000 0.210 136 L C 2.383 179.211 176.870 -0.071 0.000 1.081 136 L CA 1.772 56.572 54.840 -0.066 0.000 0.752 136 L CB -0.824 41.209 42.059 -0.043 0.000 0.896 136 L HN 0.355 nan 8.230 nan 0.000 0.433 137 S N -1.065 114.616 115.700 -0.032 0.000 2.474 137 S HA -0.063 4.408 4.470 0.001 0.000 0.235 137 S C 1.810 176.360 174.600 -0.083 0.000 0.997 137 S CA 0.920 59.090 58.200 -0.050 0.000 0.949 137 S CB 0.018 63.199 63.200 -0.032 0.000 0.766 137 S HN 0.316 nan 8.310 nan 0.000 0.517 138 M N -0.018 119.538 119.600 -0.072 0.000 2.657 138 M HA 0.234 4.714 4.480 0.001 0.000 0.262 138 M C 2.024 178.265 176.300 -0.100 0.000 1.213 138 M CA 0.608 55.876 55.300 -0.052 0.000 1.182 138 M CB -0.777 31.853 32.600 0.051 0.000 1.303 138 M HN 0.100 nan 8.290 nan 0.000 0.501 139 R N 0.751 121.021 120.500 -0.384 0.000 2.139 139 R HA -0.063 4.278 4.340 0.001 0.000 0.243 139 R C 1.821 177.828 176.300 -0.488 0.000 1.145 139 R CA 1.187 56.744 56.100 -0.904 0.000 0.976 139 R CB -0.258 29.674 30.300 -0.613 0.000 0.866 139 R HN 0.290 nan 8.270 nan 0.000 0.449 140 L N 0.385 121.488 121.223 -0.200 0.000 2.591 140 L HA 0.072 4.413 4.340 0.001 0.000 0.228 140 L C 0.481 177.350 176.870 -0.001 0.000 1.133 140 L CA -0.073 54.719 54.840 -0.081 0.000 0.880 140 L CB -0.011 42.005 42.059 -0.070 0.000 1.033 140 L HN -0.000 nan 8.230 nan 0.000 0.450 141 R N 0.595 121.124 120.500 0.049 0.000 2.615 141 R HA 0.269 4.610 4.340 0.001 0.000 0.270 141 R C 0.478 176.842 176.300 0.106 0.000 1.081 141 R CA -0.055 56.082 56.100 0.060 0.000 1.154 141 R CB 0.792 31.109 30.300 0.028 0.000 1.063 141 R HN 0.082 nan 8.270 nan 0.000 0.519 142 S N -0.835 114.890 115.700 0.041 0.000 2.693 142 S HA 0.091 4.562 4.470 0.001 0.000 0.276 142 S C 1.248 175.844 174.600 -0.006 0.000 1.192 142 S CA -0.702 57.516 58.200 0.029 0.000 0.994 142 S CB 1.328 64.534 63.200 0.010 0.000 1.012 142 S HN 0.418 nan 8.310 nan 0.000 0.550 143 V N 1.072 120.977 119.914 -0.016 0.000 2.332 143 V HA -0.181 3.940 4.120 0.001 0.000 0.248 143 V C 2.225 178.285 176.094 -0.057 0.000 1.055 143 V CA 2.575 64.848 62.300 -0.046 0.000 1.038 143 V CB -1.185 30.623 31.823 -0.026 0.000 0.651 143 V HN 0.944 nan 8.190 nan 0.000 0.450 144 E N 0.275 120.455 120.200 -0.034 0.000 2.077 144 E HA -0.197 4.154 4.350 0.001 0.000 0.193 144 E C 2.143 178.714 176.600 -0.050 0.000 0.989 144 E CA 1.839 58.219 56.400 -0.033 0.000 0.800 144 E CB -0.236 29.453 29.700 -0.017 0.000 0.746 144 E HN 0.787 nan 8.360 nan 0.000 0.452 145 E N 0.259 120.429 120.200 -0.051 0.000 2.107 145 E HA -0.107 4.244 4.350 0.001 0.000 0.191 145 E C 2.098 178.636 176.600 -0.103 0.000 0.982 145 E CA 0.648 57.014 56.400 -0.057 0.000 0.809 145 E CB -0.120 29.553 29.700 -0.046 0.000 0.756 145 E HN 0.202 nan 8.360 nan 0.000 0.459 146 L N 0.864 121.984 121.223 -0.171 0.000 2.012 146 L HA -0.193 4.148 4.340 0.001 0.000 0.210 146 L C 2.584 179.118 176.870 -0.560 0.000 1.073 146 L CA 1.367 55.973 54.840 -0.391 0.000 0.748 146 L CB -0.816 40.982 42.059 -0.435 0.000 0.891 146 L HN 0.167 nan 8.230 nan 0.000 0.431 147 T N -1.060 113.311 114.554 -0.306 0.000 2.699 147 T HA -0.230 4.121 4.350 0.001 0.000 0.268 147 T C 1.952 176.611 174.700 -0.068 0.000 1.036 147 T CA 1.218 63.229 62.100 -0.149 0.000 1.147 147 T CB -0.162 68.683 68.868 -0.038 0.000 0.862 147 T HN 0.292 nan 8.240 nan 0.000 0.446 148 Q N 0.021 119.789 119.800 -0.054 0.000 2.084 148 Q HA -0.030 4.311 4.340 0.001 0.000 0.202 148 Q C 2.082 178.108 176.000 0.043 0.000 0.978 148 Q CA 1.169 56.971 55.803 -0.002 0.000 0.844 148 Q CB -0.678 28.059 28.738 -0.003 0.000 0.898 148 Q HN 0.593 nan 8.270 nan 0.000 0.426 149 F N 0.952 120.825 119.950 -0.128 0.000 2.102 149 F HA -0.226 4.302 4.527 0.001 0.000 0.298 149 F C 1.822 177.710 175.800 0.146 0.000 1.105 149 F CA 1.056 59.027 58.000 -0.048 0.000 1.239 149 F CB -0.389 38.530 39.000 -0.135 0.000 0.991 149 F HN -0.069 nan 8.300 nan 0.000 0.474 150 F N 0.773 120.641 119.950 -0.137 0.000 2.095 150 F HA -0.208 4.319 4.527 0.001 0.000 0.298 150 F C 2.366 178.055 175.800 -0.185 0.000 1.104 150 F CA 1.193 59.066 58.000 -0.211 0.000 1.232 150 F CB -1.693 37.291 39.000 -0.026 0.000 0.987 150 F HN 0.040 nan 8.300 nan 0.000 0.475 151 L N -0.659 120.621 121.223 0.095 0.000 2.093 151 L HA -0.169 4.172 4.340 0.001 0.000 0.208 151 L C 2.697 179.569 176.870 0.004 0.000 1.085 151 L CA 1.113 55.976 54.840 0.039 0.000 0.755 151 L CB -0.633 41.447 42.059 0.036 0.000 0.904 151 L HN 0.044 nan 8.230 nan 0.000 0.435 152 R N 0.713 121.198 120.500 -0.026 0.000 2.080 152 R HA -0.206 4.135 4.340 0.001 0.000 0.236 152 R C 2.078 178.384 176.300 0.010 0.000 1.137 152 R CA 1.952 58.047 56.100 -0.008 0.000 0.943 152 R CB -0.195 30.079 30.300 -0.044 0.000 0.846 152 R HN 0.452 nan 8.270 nan 0.000 0.431 153 E N -0.024 120.093 120.200 -0.139 0.000 2.153 153 E HA -0.180 4.171 4.350 0.001 0.000 0.194 153 E C 2.090 178.649 176.600 -0.068 0.000 0.988 153 E CA 1.343 57.664 56.400 -0.132 0.000 0.811 153 E CB -0.076 29.458 29.700 -0.277 0.000 0.746 153 E HN 0.474 nan 8.360 nan 0.000 0.466 154 I N 0.585 121.119 120.570 -0.059 0.000 2.406 154 I HA -0.219 3.952 4.170 0.001 0.000 0.249 154 I C 2.280 178.384 176.117 -0.020 0.000 1.122 154 I CA 1.054 62.327 61.300 -0.046 0.000 1.431 154 I CB -0.003 37.971 38.000 -0.043 0.000 1.087 154 I HN 0.025 nan 8.210 nan 0.000 0.424 155 Q N -1.023 118.785 119.800 0.014 0.000 2.304 155 Q HA -0.057 4.283 4.340 0.001 0.000 0.204 155 Q C 1.832 177.874 176.000 0.070 0.000 0.936 155 Q CA 0.803 56.627 55.803 0.034 0.000 0.878 155 Q CB 0.073 28.838 28.738 0.045 0.000 0.983 155 Q HN 0.448 nan 8.270 nan 0.000 0.516 156 Y N 0.241 120.522 120.300 -0.031 0.000 2.343 156 Y HA 0.294 4.845 4.550 0.001 0.000 0.294 156 Y C 0.643 176.530 175.900 -0.021 0.000 1.122 156 Y CA 1.404 59.492 58.100 -0.021 0.000 1.173 156 Y CB 0.726 39.176 38.460 -0.016 0.000 1.077 156 Y HN 0.073 nan 8.280 nan 0.000 0.542 157 G N 0.224 109.033 108.800 0.014 0.000 2.340 157 G HA2 0.028 3.989 3.960 0.001 0.000 0.527 157 G HA3 0.028 3.989 3.960 0.001 0.000 0.527 157 G C -1.684 173.242 174.900 0.043 0.000 1.381 157 G CA -0.581 44.479 45.100 -0.066 0.000 1.001 157 G HN 0.174 nan 8.290 nan 0.000 0.626 158 I N 1.886 122.466 120.570 0.017 0.000 2.371 158 I HA 0.379 4.549 4.170 0.001 0.000 0.290 158 I C 1.082 177.257 176.117 0.097 0.000 1.028 158 I CA 0.181 61.518 61.300 0.061 0.000 1.345 158 I CB 0.973 39.002 38.000 0.047 0.000 1.407 158 I HN 0.965 nan 8.210 nan 0.000 0.501 159 E N 3.454 123.746 120.200 0.152 0.000 3.333 159 E HA -0.323 4.028 4.350 0.001 0.000 0.342 159 E C 0.045 176.744 176.600 0.164 0.000 1.501 159 E CA 1.859 58.356 56.400 0.163 0.000 1.770 159 E CB -0.409 29.373 29.700 0.136 0.000 1.817 159 E HN 0.942 nan 8.360 nan 0.000 0.485 160 D N -0.103 120.367 120.400 0.117 0.000 2.402 160 D HA 0.026 4.666 4.640 0.001 0.000 0.216 160 D C 1.149 177.454 176.300 0.009 0.000 1.128 160 D CA 0.980 55.035 54.000 0.091 0.000 0.833 160 D CB -0.203 40.652 40.800 0.092 0.000 0.971 160 D HN 0.411 nan 8.370 nan 0.000 0.503 161 T N -3.744 110.808 114.554 -0.003 0.000 3.067 161 T HA 0.235 4.586 4.350 0.001 0.000 0.261 161 T C 1.884 176.537 174.700 -0.078 0.000 1.110 161 T CA 0.798 62.882 62.100 -0.027 0.000 1.113 161 T CB -0.374 68.491 68.868 -0.005 0.000 0.917 161 T HN 0.351 nan 8.240 nan 0.000 0.499 162 G N 1.270 109.983 108.800 -0.146 0.000 2.184 162 G HA2 -0.229 3.732 3.960 0.001 0.000 0.264 162 G HA3 -0.229 3.732 3.960 0.001 0.000 0.264 162 G C 0.072 174.896 174.900 -0.127 0.000 0.975 162 G CA 0.178 45.158 45.100 -0.201 0.000 0.642 162 G HN 0.666 nan 8.290 nan 0.000 0.536 163 I N 1.673 122.196 120.570 -0.079 0.000 2.471 163 I HA 0.265 4.436 4.170 0.001 0.000 0.286 163 I C 1.031 177.116 176.117 -0.054 0.000 1.079 163 I CA -0.308 60.961 61.300 -0.052 0.000 1.398 163 I CB 0.541 38.526 38.000 -0.026 0.000 1.403 163 I HN 0.062 nan 8.210 nan 0.000 0.530 164 R N 5.444 125.910 120.500 -0.056 0.000 2.368 164 R HA 0.622 4.963 4.340 0.001 0.000 0.302 164 R C -0.255 176.012 176.300 -0.055 0.000 1.002 164 R CA -0.820 55.247 56.100 -0.055 0.000 0.929 164 R CB 1.465 31.730 30.300 -0.058 0.000 1.073 164 R HN 0.676 nan 8.270 nan 0.000 0.464 165 A N 1.378 124.162 122.820 -0.061 0.000 2.477 165 A HA 0.294 4.615 4.320 0.001 0.000 0.246 165 A C 1.114 178.648 177.584 -0.084 0.000 1.078 165 A CA 0.108 52.102 52.037 -0.073 0.000 0.770 165 A CB 0.359 19.303 19.000 -0.093 0.000 1.011 165 A HN 0.950 nan 8.150 nan 0.000 0.494 166 G N 0.872 109.619 108.800 -0.088 0.000 3.126 166 G HA2 0.439 4.400 3.960 0.001 0.000 0.224 166 G HA3 0.439 4.400 3.960 0.001 0.000 0.224 166 G C 0.149 174.967 174.900 -0.136 0.000 1.142 166 G CA 0.448 45.487 45.100 -0.102 0.000 0.759 166 G HN 0.769 nan 8.290 nan 0.000 0.550 167 I N -0.540 119.948 120.570 -0.136 0.000 2.984 167 I HA 0.489 4.660 4.170 0.001 0.000 0.303 167 I C -1.732 174.289 176.117 -0.160 0.000 1.381 167 I CA -1.387 59.814 61.300 -0.164 0.000 0.988 167 I CB 2.572 40.488 38.000 -0.140 0.000 1.307 167 I HN -0.156 nan 8.210 nan 0.000 0.460 168 I N 4.658 125.126 120.570 -0.170 0.000 2.362 168 I HA 0.383 4.554 4.170 0.001 0.000 0.289 168 I C -0.762 175.274 176.117 -0.135 0.000 0.994 168 I CA -0.539 60.639 61.300 -0.204 0.000 1.158 168 I CB 1.564 39.425 38.000 -0.231 0.000 1.315 168 I HN 0.307 nan 8.210 nan 0.000 0.451 169 K N 7.328 127.649 120.400 -0.131 0.000 2.235 169 K HA 0.711 5.032 4.320 0.001 0.000 0.266 169 K C -0.989 175.637 176.600 0.043 0.000 0.980 169 K CA -0.542 55.731 56.287 -0.024 0.000 0.849 169 K CB 1.338 33.823 32.500 -0.025 0.000 1.098 169 K HN 0.473 nan 8.250 nan 0.000 0.445 170 V N 0.165 120.169 119.914 0.150 0.000 3.141 170 V HA 1.025 5.146 4.120 0.001 0.000 0.312 170 V C -1.047 175.219 176.094 0.286 0.000 1.157 170 V CA -0.672 61.759 62.300 0.217 0.000 1.041 170 V CB 1.499 33.467 31.823 0.241 0.000 1.071 170 V HN 0.932 nan 8.190 nan 0.000 0.441 171 A N 1.258 124.240 122.820 0.271 0.000 2.594 171 A HA 0.995 5.316 4.320 0.001 0.000 0.295 171 A C -0.376 177.318 177.584 0.183 0.000 1.071 171 A CA -0.042 52.168 52.037 0.289 0.000 0.685 171 A CB 1.822 20.998 19.000 0.292 0.000 1.285 171 A HN 2.143 nan 8.150 nan 0.000 0.405 172 T N -2.112 112.549 114.554 0.177 0.000 2.896 172 T HA 0.722 5.073 4.350 0.001 0.000 0.297 172 T C -0.516 174.221 174.700 0.062 0.000 1.108 172 T CA -0.276 61.867 62.100 0.071 0.000 1.004 172 T CB 1.964 70.855 68.868 0.039 0.000 1.159 172 T HN 1.162 nan 8.240 nan 0.000 0.499 173 T N 0.947 115.455 114.554 -0.077 0.000 3.658 173 T HA 0.618 4.969 4.350 0.001 0.000 0.245 173 T C 0.487 175.129 174.700 -0.097 0.000 1.292 173 T CA 0.824 62.845 62.100 -0.131 0.000 1.598 173 T CB -1.082 67.523 68.868 -0.438 0.000 0.861 173 T HN 1.775 nan 8.240 nan 0.000 0.663 174 G N 2.420 111.192 108.800 -0.045 0.000 2.472 174 G HA2 -0.115 3.846 3.960 0.001 0.000 0.205 174 G HA3 -0.115 3.846 3.960 0.001 0.000 0.205 174 G C -0.469 174.405 174.900 -0.044 0.000 1.270 174 G CA -0.477 44.594 45.100 -0.048 0.000 0.974 174 G HN 0.661 nan 8.290 nan 0.000 0.542 175 K N 0.982 121.355 120.400 -0.045 0.000 2.477 175 K HA 0.382 4.703 4.320 0.001 0.000 0.275 175 K C 0.914 177.492 176.600 -0.035 0.000 1.054 175 K CA 0.563 56.827 56.287 -0.039 0.000 1.135 175 K CB -0.084 32.395 32.500 -0.035 0.000 0.854 175 K HN 1.679 nan 8.250 nan 0.000 0.484 176 A N 4.082 126.881 122.820 -0.035 0.000 2.520 176 A HA 0.100 4.421 4.320 0.001 0.000 0.235 176 A C 0.427 178.004 177.584 -0.012 0.000 1.065 176 A CA 0.252 52.273 52.037 -0.028 0.000 0.764 176 A CB 0.031 19.004 19.000 -0.044 0.000 1.002 176 A HN 0.888 nan 8.150 nan 0.000 0.502 177 T N 0.041 114.602 114.554 0.011 0.000 2.874 177 T HA 0.483 4.833 4.350 0.001 0.000 0.281 177 T C -1.970 172.762 174.700 0.052 0.000 0.994 177 T CA -1.492 60.632 62.100 0.040 0.000 1.015 177 T CB 0.911 69.825 68.868 0.077 0.000 1.028 177 T HN 0.314 nan 8.240 nan 0.000 0.523 178 P HA -0.082 nan 4.420 nan 0.000 0.214 178 P C 1.278 178.642 177.300 0.107 0.000 1.163 178 P CA 0.852 63.995 63.100 0.072 0.000 0.889 178 P CB -0.170 31.578 31.700 0.080 0.000 0.790 179 F N 0.554 120.511 119.950 0.012 0.000 2.126 179 F HA -0.209 4.319 4.527 0.001 0.000 0.299 179 F C 2.278 178.104 175.800 0.043 0.000 1.096 179 F CA 1.688 59.703 58.000 0.025 0.000 1.255 179 F CB -0.974 38.043 39.000 0.028 0.000 0.997 179 F HN -0.094 nan 8.300 nan 0.000 0.479 180 Q N -0.043 119.748 119.800 -0.016 0.000 2.181 180 Q HA -0.235 4.106 4.340 0.001 0.000 0.205 180 Q C 2.097 178.016 176.000 -0.135 0.000 0.980 180 Q CA 1.985 57.730 55.803 -0.096 0.000 0.862 180 Q CB -0.278 28.467 28.738 0.011 0.000 0.905 180 Q HN 0.573 nan 8.270 nan 0.000 0.429 181 E N 0.245 120.388 120.200 -0.095 0.000 2.153 181 E HA -0.167 4.184 4.350 0.001 0.000 0.194 181 E C 1.969 178.505 176.600 -0.107 0.000 0.988 181 E CA 0.716 57.061 56.400 -0.092 0.000 0.811 181 E CB -0.025 29.642 29.700 -0.055 0.000 0.746 181 E HN 0.372 nan 8.360 nan 0.000 0.466 182 L N 0.455 121.580 121.223 -0.163 0.000 2.056 182 L HA -0.155 4.186 4.340 0.001 0.000 0.207 182 L C 2.481 179.242 176.870 -0.182 0.000 1.078 182 L CA 0.739 55.474 54.840 -0.174 0.000 0.749 182 L CB -0.451 41.477 42.059 -0.218 0.000 0.901 182 L HN 0.064 nan 8.230 nan 0.000 0.433 183 V N -0.076 119.657 119.914 -0.301 0.000 2.343 183 V HA -0.289 3.832 4.120 0.001 0.000 0.247 183 V C 2.439 178.608 176.094 0.125 0.000 1.051 183 V CA 1.459 63.705 62.300 -0.091 0.000 1.036 183 V CB -0.397 31.362 31.823 -0.106 0.000 0.654 183 V HN 0.259 nan 8.190 nan 0.000 0.451 184 L N -0.422 120.827 121.223 0.044 0.000 2.093 184 L HA -0.132 4.209 4.340 0.001 0.000 0.208 184 L C 2.374 179.362 176.870 0.197 0.000 1.085 184 L CA 1.862 56.767 54.840 0.109 0.000 0.755 184 L CB -0.712 41.248 42.059 -0.165 0.000 0.904 184 L HN 0.251 nan 8.230 nan 0.000 0.435 185 K N -0.977 119.477 120.400 0.091 0.000 2.026 185 K HA -0.101 4.220 4.320 0.001 0.000 0.208 185 K C 2.163 178.850 176.600 0.146 0.000 1.048 185 K CA 1.336 57.687 56.287 0.107 0.000 0.929 185 K CB -0.382 32.143 32.500 0.041 0.000 0.713 185 K HN 0.310 nan 8.250 nan 0.000 0.439 186 A N 1.386 124.286 122.820 0.133 0.000 1.902 186 A HA -0.125 4.196 4.320 0.001 0.000 0.217 186 A C 2.359 180.153 177.584 0.349 0.000 1.181 186 A CA 1.858 53.986 52.037 0.152 0.000 0.623 186 A CB -0.777 18.208 19.000 -0.026 0.000 0.818 186 A HN 0.336 nan 8.150 nan 0.000 0.443 187 A N -0.110 122.983 122.820 0.455 0.000 1.902 187 A HA 0.144 4.465 4.320 0.001 0.000 0.217 187 A C 2.500 180.212 177.584 0.212 0.000 1.181 187 A CA 2.115 54.359 52.037 0.345 0.000 0.623 187 A CB -0.992 18.179 19.000 0.286 0.000 0.818 187 A HN 1.039 nan 8.150 nan 0.000 0.443 188 A N -0.162 122.814 122.820 0.260 0.000 1.877 188 A HA -0.170 4.150 4.320 0.001 0.000 0.216 188 A C 2.258 179.912 177.584 0.117 0.000 1.186 188 A CA 1.622 53.772 52.037 0.187 0.000 0.620 188 A CB -0.470 18.707 19.000 0.296 0.000 0.822 188 A HN 0.549 nan 8.150 nan 0.000 0.443 189 R N -0.596 119.981 120.500 0.129 0.000 2.081 189 R HA -0.055 4.285 4.340 0.001 0.000 0.235 189 R C 2.464 178.813 176.300 0.082 0.000 1.131 189 R CA 1.237 57.391 56.100 0.090 0.000 0.960 189 R CB -0.471 29.877 30.300 0.080 0.000 0.856 189 R HN 0.506 nan 8.270 nan 0.000 0.436 190 A N 0.222 123.117 122.820 0.125 0.000 1.972 190 A HA -0.176 4.145 4.320 0.001 0.000 0.219 190 A C 2.157 179.765 177.584 0.040 0.000 1.169 190 A CA 1.769 53.868 52.037 0.103 0.000 0.635 190 A CB -0.539 18.577 19.000 0.193 0.000 0.810 190 A HN 0.318 nan 8.150 nan 0.000 0.446 191 S N -0.449 115.264 115.700 0.021 0.000 2.368 191 S HA -0.096 4.375 4.470 0.001 0.000 0.225 191 S C 1.949 176.531 174.600 -0.030 0.000 1.030 191 S CA 1.341 59.520 58.200 -0.035 0.000 0.999 191 S CB -0.477 62.679 63.200 -0.073 0.000 0.844 191 S HN 0.511 nan 8.310 nan 0.000 0.459 192 L N 0.927 122.148 121.223 -0.005 0.000 2.012 192 L HA -0.132 4.209 4.340 0.001 0.000 0.210 192 L C 2.927 179.794 176.870 -0.005 0.000 1.073 192 L CA 1.508 56.347 54.840 -0.002 0.000 0.748 192 L CB -0.674 41.395 42.059 0.017 0.000 0.891 192 L HN 0.453 nan 8.230 nan 0.000 0.431 193 A N -0.662 122.160 122.820 0.004 0.000 1.968 193 A HA -0.144 4.177 4.320 0.001 0.000 0.217 193 A C 2.259 179.837 177.584 -0.009 0.000 1.169 193 A CA 1.921 53.959 52.037 0.002 0.000 0.638 193 A CB -0.536 18.471 19.000 0.012 0.000 0.812 193 A HN 0.531 nan 8.150 nan 0.000 0.446 194 T N -6.026 108.517 114.554 -0.018 0.000 2.990 194 T HA 0.428 4.778 4.350 0.001 0.000 0.249 194 T C 1.463 176.132 174.700 -0.051 0.000 1.039 194 T CA 1.113 63.194 62.100 -0.031 0.000 1.036 194 T CB 0.410 69.258 68.868 -0.033 0.000 0.994 194 T HN 1.625 nan 8.240 nan 0.000 0.489 195 G N 1.048 109.812 108.800 -0.060 0.000 2.176 195 G HA2 -0.232 3.729 3.960 0.001 0.000 0.253 195 G HA3 -0.232 3.729 3.960 0.001 0.000 0.253 195 G C 0.107 174.934 174.900 -0.122 0.000 0.979 195 G CA -0.023 45.029 45.100 -0.080 0.000 0.641 195 G HN 0.698 nan 8.290 nan 0.000 0.530 196 V N 3.344 123.180 119.914 -0.130 0.000 2.715 196 V HA 0.408 4.529 4.120 0.001 0.000 0.299 196 V C -0.870 175.083 176.094 -0.235 0.000 1.054 196 V CA -0.602 61.591 62.300 -0.179 0.000 1.077 196 V CB 1.313 33.052 31.823 -0.141 0.000 0.972 196 V HN 0.271 nan 8.190 nan 0.000 0.484 197 P HA 0.382 nan 4.420 nan 0.000 0.279 197 P C -1.160 175.960 177.300 -0.300 0.000 1.276 197 P CA -0.376 62.450 63.100 -0.456 0.000 0.801 197 P CB 1.124 32.148 31.700 -1.127 0.000 1.127 198 V N -0.264 119.534 119.914 -0.194 0.000 2.604 198 V HA 0.556 4.677 4.120 0.001 0.000 0.305 198 V C 0.269 176.416 176.094 0.089 0.000 1.043 198 V CA -0.281 61.954 62.300 -0.109 0.000 0.888 198 V CB 1.629 33.284 31.823 -0.279 0.000 0.995 198 V HN 0.657 nan 8.190 nan 0.000 0.429 199 T N 2.759 117.378 114.554 0.108 0.000 2.876 199 T HA 0.754 5.105 4.350 0.001 0.000 0.289 199 T C -0.389 174.392 174.700 0.135 0.000 1.014 199 T CA -0.040 62.163 62.100 0.172 0.000 0.986 199 T CB 1.639 70.624 68.868 0.195 0.000 1.021 199 T HN 1.062 nan 8.240 nan 0.000 0.458 200 T N 0.977 115.612 114.554 0.136 0.000 2.916 200 T HA 0.545 4.896 4.350 0.001 0.000 0.292 200 T C -0.867 173.909 174.700 0.126 0.000 1.064 200 T CA -0.791 61.420 62.100 0.185 0.000 1.011 200 T CB 1.336 70.348 68.868 0.240 0.000 1.152 200 T HN 0.798 nan 8.240 nan 0.000 0.510 201 H N 0.651 119.800 119.070 0.132 0.000 2.488 201 H HA 0.623 5.180 4.556 0.001 0.000 0.322 201 H C 0.105 175.548 175.328 0.193 0.000 1.078 201 H CA -0.393 55.748 56.048 0.154 0.000 1.260 201 H CB 1.002 31.096 29.762 0.554 0.000 1.425 201 H HN 1.009 nan 8.280 nan 0.000 0.471 202 T N 1.679 116.333 114.554 0.168 0.000 2.910 202 T HA 0.675 5.026 4.350 0.001 0.000 0.287 202 T C -0.311 174.477 174.700 0.146 0.000 1.050 202 T CA -0.807 61.404 62.100 0.185 0.000 1.011 202 T CB 1.600 70.535 68.868 0.111 0.000 1.195 202 T HN 0.655 nan 8.240 nan 0.000 0.540 203 A N 0.503 123.389 122.820 0.109 0.000 2.923 203 A HA 0.750 5.071 4.320 0.001 0.000 0.343 203 A C 1.559 179.149 177.584 0.009 0.000 1.199 203 A CA -0.200 51.869 52.037 0.054 0.000 0.878 203 A CB -0.682 18.335 19.000 0.028 0.000 1.104 203 A HN 1.312 nan 8.150 nan 0.000 0.483 204 A N 1.423 124.262 122.820 0.032 0.000 1.927 204 A HA -0.213 4.108 4.320 0.001 0.000 0.220 204 A C 2.621 180.123 177.584 -0.136 0.000 1.185 204 A CA 2.705 54.762 52.037 0.033 0.000 0.639 204 A CB -0.951 18.120 19.000 0.119 0.000 0.820 204 A HN 1.681 nan 8.150 nan 0.000 0.451 205 S N -0.130 115.520 115.700 -0.083 0.000 2.372 205 S HA -0.316 4.155 4.470 0.001 0.000 0.227 205 S C 1.761 176.252 174.600 -0.181 0.000 1.044 205 S CA 1.800 59.934 58.200 -0.111 0.000 1.050 205 S CB -0.769 62.399 63.200 -0.054 0.000 0.901 205 S HN 0.715 nan 8.310 nan 0.000 0.447 206 Q N 0.459 120.167 119.800 -0.153 0.000 2.482 206 Q HA 0.205 4.546 4.340 0.001 0.000 0.209 206 Q C 0.051 175.907 176.000 -0.241 0.000 0.961 206 Q CA 0.134 55.842 55.803 -0.158 0.000 0.945 206 Q CB -0.133 28.549 28.738 -0.093 0.000 1.012 206 Q HN 0.550 nan 8.270 nan 0.000 0.515 207 R N 0.230 120.458 120.500 -0.453 0.000 3.770 207 R HA -0.183 4.158 4.340 0.001 0.000 0.305 207 R C -0.244 175.953 176.300 -0.172 0.000 1.184 207 R CA 0.584 56.265 56.100 -0.697 0.000 0.823 207 R CB -1.648 28.328 30.300 -0.541 0.000 1.285 207 R HN 0.338 nan 8.270 nan 0.000 0.499 208 D N -0.150 120.212 120.400 -0.063 0.000 2.190 208 D HA -0.124 4.517 4.640 0.001 0.000 0.200 208 D C 1.989 178.325 176.300 0.060 0.000 0.992 208 D CA 1.735 55.743 54.000 0.013 0.000 0.854 208 D CB -0.316 40.509 40.800 0.042 0.000 0.936 208 D HN 0.597 nan 8.370 nan 0.000 0.462 209 G N 0.674 109.582 108.800 0.180 0.000 2.505 209 G HA2 -0.341 3.620 3.960 0.001 0.000 0.220 209 G HA3 -0.341 3.620 3.960 0.001 0.000 0.220 209 G C 1.495 176.390 174.900 -0.008 0.000 1.145 209 G CA 0.975 46.133 45.100 0.096 0.000 0.761 209 G HN 0.320 nan 8.290 nan 0.000 0.571 210 E N -0.090 120.171 120.200 0.102 0.000 2.058 210 E HA -0.232 4.119 4.350 0.001 0.000 0.194 210 E C 2.529 179.107 176.600 -0.038 0.000 0.997 210 E CA 1.458 57.874 56.400 0.027 0.000 0.801 210 E CB -0.196 29.557 29.700 0.087 0.000 0.746 210 E HN 0.752 nan 8.360 nan 0.000 0.450 211 Q N 0.834 120.608 119.800 -0.043 0.000 2.167 211 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 211 Q C 2.007 177.916 176.000 -0.152 0.000 0.970 211 Q CA 1.244 57.001 55.803 -0.076 0.000 0.855 211 Q CB 0.036 28.735 28.738 -0.064 0.000 0.911 211 Q HN 0.290 nan 8.270 nan 0.000 0.438 212 Q N 0.291 119.985 119.800 -0.178 0.000 2.020 212 Q HA -0.152 4.189 4.340 0.001 0.000 0.202 212 Q C 2.274 178.032 176.000 -0.404 0.000 0.982 212 Q CA 1.564 57.157 55.803 -0.350 0.000 0.838 212 Q CB -0.277 28.368 28.738 -0.155 0.000 0.899 212 Q HN 0.577 nan 8.270 nan 0.000 0.423 213 A N 1.157 123.870 122.820 -0.178 0.000 1.940 213 A HA -0.168 4.153 4.320 0.001 0.000 0.219 213 A C 2.301 179.932 177.584 0.079 0.000 1.176 213 A CA 1.684 53.697 52.037 -0.041 0.000 0.631 213 A CB -0.798 18.003 19.000 -0.332 0.000 0.814 213 A HN 0.420 nan 8.150 nan 0.000 0.446 214 A N -0.068 122.737 122.820 -0.025 0.000 1.883 214 A HA -0.112 4.209 4.320 0.001 0.000 0.217 214 A C 2.112 179.688 177.584 -0.013 0.000 1.186 214 A CA 1.658 53.696 52.037 0.000 0.000 0.624 214 A CB -0.597 18.386 19.000 -0.027 0.000 0.822 214 A HN 0.503 nan 8.150 nan 0.000 0.444 215 I N -1.782 118.714 120.570 -0.124 0.000 2.353 215 I HA -0.176 3.995 4.170 0.001 0.000 0.248 215 I C 2.076 178.182 176.117 -0.019 0.000 1.119 215 I CA 0.864 62.087 61.300 -0.130 0.000 1.417 215 I CB -0.284 37.558 38.000 -0.264 0.000 1.078 215 I HN 0.254 nan 8.210 nan 0.000 0.421 216 F N 1.173 121.169 119.950 0.077 0.000 2.146 216 F HA -0.148 4.380 4.527 0.001 0.000 0.298 216 F C 2.504 178.363 175.800 0.099 0.000 1.096 216 F CA 1.160 59.220 58.000 0.100 0.000 1.275 216 F CB -0.852 38.241 39.000 0.154 0.000 1.008 216 F HN 0.057 nan 8.300 nan 0.000 0.480 217 E N -0.118 120.263 120.200 0.302 0.000 2.106 217 E HA -0.166 4.184 4.350 0.001 0.000 0.192 217 E C 2.254 178.931 176.600 0.129 0.000 0.984 217 E CA 1.395 57.916 56.400 0.202 0.000 0.806 217 E CB -0.212 29.603 29.700 0.191 0.000 0.750 217 E HN 0.354 nan 8.360 nan 0.000 0.458 218 S N 0.571 116.334 115.700 0.104 0.000 2.500 218 S HA -0.101 4.370 4.470 0.001 0.000 0.239 218 S C 1.433 176.077 174.600 0.074 0.000 0.989 218 S CA 0.738 58.979 58.200 0.069 0.000 0.951 218 S CB 0.042 63.267 63.200 0.042 0.000 0.759 218 S HN 0.138 nan 8.310 nan 0.000 0.523 219 E N 0.406 120.671 120.200 0.107 0.000 2.481 219 E HA 0.235 4.585 4.350 0.001 0.000 0.198 219 E C 1.348 178.002 176.600 0.089 0.000 1.027 219 E CA 0.509 56.972 56.400 0.104 0.000 0.900 219 E CB 0.327 30.109 29.700 0.137 0.000 0.993 219 E HN 0.683 nan 8.360 nan 0.000 0.482 220 G N 1.839 110.691 108.800 0.087 0.000 2.157 220 G HA2 -0.279 3.682 3.960 0.001 0.000 0.248 220 G HA3 -0.279 3.682 3.960 0.001 0.000 0.248 220 G C 0.121 175.056 174.900 0.058 0.000 0.979 220 G CA 0.343 45.480 45.100 0.061 0.000 0.650 220 G HN 0.249 nan 8.290 nan 0.000 0.529 221 L N 2.133 123.409 121.223 0.089 0.000 2.410 221 L HA 0.672 5.012 4.340 0.001 0.000 0.273 221 L C 0.936 177.820 176.870 0.025 0.000 1.144 221 L CA 0.351 55.224 54.840 0.055 0.000 0.863 221 L CB 1.225 43.326 42.059 0.070 0.000 1.140 221 L HN 0.263 nan 8.230 nan 0.000 0.463 222 S N 6.001 121.682 115.700 -0.032 0.000 2.549 222 S HA 0.283 4.754 4.470 0.001 0.000 0.279 222 S C -1.590 172.917 174.600 -0.156 0.000 1.321 222 S CA -0.984 57.166 58.200 -0.082 0.000 1.054 222 S CB 0.815 63.970 63.200 -0.075 0.000 0.899 222 S HN 0.614 nan 8.310 nan 0.000 0.497 223 P HA -0.069 nan 4.420 nan 0.000 0.220 223 P C 1.285 178.360 177.300 -0.375 0.000 1.148 223 P CA 0.908 63.553 63.100 -0.758 0.000 0.803 223 P CB -0.097 30.712 31.700 -1.486 0.000 0.782 224 S N -1.386 114.180 115.700 -0.224 0.000 2.595 224 S HA -0.023 4.447 4.470 0.001 0.000 0.235 224 S C 1.428 176.046 174.600 0.029 0.000 0.974 224 S CA 0.533 58.686 58.200 -0.078 0.000 0.942 224 S CB -0.639 62.524 63.200 -0.061 0.000 0.766 224 S HN 0.046 nan 8.310 nan 0.000 0.536 225 R N 0.583 121.080 120.500 -0.005 0.000 2.509 225 R HA 0.442 4.783 4.340 0.001 0.000 0.300 225 R C -0.599 175.754 176.300 0.089 0.000 0.985 225 R CA -0.023 56.080 56.100 0.006 0.000 1.092 225 R CB 0.248 30.491 30.300 -0.094 0.000 1.237 225 R HN 0.342 nan 8.270 nan 0.000 0.546 226 V N 0.576 120.595 119.914 0.176 0.000 2.656 226 V HA 0.341 4.461 4.120 0.001 0.000 0.307 226 V C -0.499 175.736 176.094 0.236 0.000 1.051 226 V CA -1.196 61.225 62.300 0.201 0.000 0.893 226 V CB 2.680 34.592 31.823 0.148 0.000 0.999 226 V HN 0.198 nan 8.190 nan 0.000 0.426 227 C N 6.685 126.078 119.300 0.155 0.000 2.340 227 C HA 0.640 5.101 4.460 0.001 0.000 0.323 227 C C -0.556 174.435 174.990 0.001 0.000 1.260 227 C CA -0.593 58.380 59.018 -0.075 0.000 1.464 227 C CB 0.005 27.495 27.740 -0.416 0.000 2.156 227 C HN 0.708 nan 8.230 nan 0.000 0.476 228 I N 6.449 126.999 120.570 -0.033 0.000 2.291 228 I HA 0.339 4.509 4.170 0.001 0.000 0.290 228 I C 1.148 177.205 176.117 -0.100 0.000 1.050 228 I CA 0.428 61.703 61.300 -0.041 0.000 1.245 228 I CB 0.247 38.192 38.000 -0.092 0.000 1.405 228 I HN 0.921 nan 8.210 nan 0.000 0.478 229 G N 4.545 113.260 108.800 -0.142 0.000 2.504 229 G HA2 0.353 4.314 3.960 0.001 0.000 0.288 229 G HA3 0.353 4.314 3.960 0.001 0.000 0.288 229 G C 0.189 174.858 174.900 -0.385 0.000 1.182 229 G CA -0.137 44.773 45.100 -0.317 0.000 0.894 229 G HN 0.777 nan 8.290 nan 0.000 0.521 230 H N -0.623 118.235 119.070 -0.353 0.000 2.899 230 H HA -0.158 4.399 4.556 0.001 0.000 0.282 230 H C 1.876 177.056 175.328 -0.247 0.000 1.198 230 H CA 0.448 56.169 56.048 -0.544 0.000 1.140 230 H CB -1.829 27.561 29.762 -0.619 0.000 1.317 230 H HN 0.372 nan 8.280 nan 0.000 0.375 231 S N 0.146 115.811 115.700 -0.058 0.000 2.481 231 S HA -0.086 4.385 4.470 0.001 0.000 0.231 231 S C 1.651 176.275 174.600 0.040 0.000 0.996 231 S CA 0.894 59.101 58.200 0.012 0.000 0.942 231 S CB 0.081 63.257 63.200 -0.041 0.000 0.768 231 S HN 0.692 nan 8.310 nan 0.000 0.520 232 D N 0.636 121.049 120.400 0.022 0.000 2.349 232 D HA -0.037 4.603 4.640 0.001 0.000 0.224 232 D C 0.236 176.581 176.300 0.075 0.000 1.029 232 D CA 0.292 54.328 54.000 0.059 0.000 0.879 232 D CB -0.184 40.663 40.800 0.078 0.000 0.906 232 D HN 0.126 nan 8.370 nan 0.000 0.528 233 D N 0.134 120.574 120.400 0.066 0.000 2.363 233 D HA 0.006 4.647 4.640 0.001 0.000 0.220 233 D C 0.228 176.567 176.300 0.065 0.000 0.994 233 D CA 0.677 54.721 54.000 0.074 0.000 0.890 233 D CB 0.429 41.269 40.800 0.066 0.000 0.906 233 D HN 0.143 nan 8.370 nan 0.000 0.530 234 T N -1.031 113.570 114.554 0.078 0.000 2.907 234 T HA 0.177 4.527 4.350 0.001 0.000 0.292 234 T C -0.210 174.538 174.700 0.079 0.000 1.043 234 T CA -0.762 61.381 62.100 0.070 0.000 1.003 234 T CB 1.520 70.433 68.868 0.074 0.000 1.084 234 T HN -0.286 nan 8.240 nan 0.000 0.483 235 D N 1.178 121.615 120.400 0.061 0.000 2.339 235 D HA 0.062 4.703 4.640 0.001 0.000 0.217 235 D C 0.054 176.395 176.300 0.069 0.000 1.050 235 D CA 0.074 54.109 54.000 0.060 0.000 0.856 235 D CB 0.293 41.119 40.800 0.043 0.000 0.922 235 D HN 0.495 nan 8.370 nan 0.000 0.518 236 D N 1.437 121.889 120.400 0.087 0.000 2.482 236 D HA -0.051 4.590 4.640 0.001 0.000 0.244 236 D C 1.278 177.657 176.300 0.132 0.000 1.242 236 D CA -0.152 53.911 54.000 0.106 0.000 1.097 236 D CB 0.264 41.127 40.800 0.104 0.000 1.109 236 D HN -0.008 nan 8.370 nan 0.000 0.510 237 L N 2.729 124.006 121.223 0.090 0.000 2.353 237 L HA -0.165 4.176 4.340 0.001 0.000 0.220 237 L C 2.350 179.264 176.870 0.073 0.000 1.133 237 L CA 1.209 56.094 54.840 0.075 0.000 0.798 237 L CB -0.303 41.794 42.059 0.064 0.000 0.922 237 L HN 0.353 nan 8.230 nan 0.000 0.445 238 S N -1.969 113.786 115.700 0.091 0.000 2.387 238 S HA -0.257 4.213 4.470 0.001 0.000 0.226 238 S C 2.059 176.723 174.600 0.107 0.000 1.026 238 S CA 1.019 59.271 58.200 0.086 0.000 0.972 238 S CB -1.003 62.243 63.200 0.077 0.000 0.814 238 S HN 0.521 nan 8.310 nan 0.000 0.477 239 Y N 3.044 123.339 120.300 -0.007 0.000 2.114 239 Y HA 0.008 4.559 4.550 0.001 0.000 0.284 239 Y C 1.951 177.829 175.900 -0.037 0.000 1.143 239 Y CA 1.146 59.233 58.100 -0.021 0.000 1.135 239 Y CB -0.771 37.676 38.460 -0.021 0.000 0.980 239 Y HN 0.196 nan 8.280 nan 0.000 0.499 240 L N -0.187 120.915 121.223 -0.202 0.000 1.971 240 L HA -0.293 4.047 4.340 0.001 0.000 0.215 240 L C 2.524 179.226 176.870 -0.280 0.000 1.072 240 L CA 2.467 57.125 54.840 -0.303 0.000 0.758 240 L CB -1.498 40.481 42.059 -0.134 0.000 0.889 240 L HN 0.363 nan 8.230 nan 0.000 0.433 241 T N -2.224 112.232 114.554 -0.163 0.000 2.881 241 T HA -0.070 4.281 4.350 0.001 0.000 0.270 241 T C 1.892 176.473 174.700 -0.198 0.000 1.068 241 T CA 0.847 62.835 62.100 -0.186 0.000 1.131 241 T CB -0.372 68.531 68.868 0.058 0.000 0.871 241 T HN 0.363 nan 8.240 nan 0.000 0.479 242 A N 2.061 124.808 122.820 -0.122 0.000 1.845 242 A HA 0.133 4.454 4.320 0.001 0.000 0.215 242 A C 2.412 179.939 177.584 -0.094 0.000 1.195 242 A CA 1.311 53.308 52.037 -0.066 0.000 0.616 242 A CB -0.994 17.988 19.000 -0.030 0.000 0.832 242 A HN 0.494 nan 8.150 nan 0.000 0.443 243 L N -0.751 120.370 121.223 -0.171 0.000 2.042 243 L HA -0.220 4.121 4.340 0.001 0.000 0.210 243 L C 3.103 179.925 176.870 -0.079 0.000 1.076 243 L CA 1.138 55.908 54.840 -0.116 0.000 0.749 243 L CB -0.550 41.330 42.059 -0.298 0.000 0.893 243 L HN 0.470 nan 8.230 nan 0.000 0.432 244 A N -0.056 122.574 122.820 -0.317 0.000 1.898 244 A HA -0.144 4.177 4.320 0.001 0.000 0.216 244 A C 2.541 179.894 177.584 -0.386 0.000 1.181 244 A CA 1.556 53.301 52.037 -0.488 0.000 0.620 244 A CB -0.712 17.648 19.000 -1.066 0.000 0.819 244 A HN 0.393 nan 8.150 nan 0.000 0.442 245 A N -0.248 122.366 122.820 -0.343 0.000 1.986 245 A HA -0.204 4.117 4.320 0.001 0.000 0.220 245 A C 2.194 179.800 177.584 0.038 0.000 1.171 245 A CA 1.691 53.733 52.037 0.008 0.000 0.640 245 A CB -0.447 18.591 19.000 0.064 0.000 0.811 245 A HN 0.547 nan 8.150 nan 0.000 0.451 246 R N -1.939 118.574 120.500 0.021 0.000 2.276 246 R HA 0.144 4.484 4.340 0.001 0.000 0.203 246 R C 1.324 177.580 176.300 -0.073 0.000 1.017 246 R CA 0.641 56.770 56.100 0.047 0.000 1.010 246 R CB -0.071 30.342 30.300 0.188 0.000 0.900 246 R HN 0.739 nan 8.270 nan 0.000 0.469 247 G N -0.979 107.767 108.800 -0.090 0.000 2.163 247 G HA2 -0.256 3.705 3.960 0.001 0.000 0.213 247 G HA3 -0.256 3.705 3.960 0.001 0.000 0.213 247 G C -0.305 174.440 174.900 -0.258 0.000 0.991 247 G CA -0.558 44.442 45.100 -0.166 0.000 0.653 247 G HN 0.186 nan 8.290 nan 0.000 0.518 248 Y N -0.346 119.913 120.300 -0.069 0.000 2.300 248 Y HA 0.649 5.199 4.550 0.001 0.000 0.328 248 Y C 1.056 176.887 175.900 -0.115 0.000 1.270 248 Y CA -0.602 57.455 58.100 -0.072 0.000 1.352 248 Y CB 0.745 39.160 38.460 -0.076 0.000 1.286 248 Y HN 0.108 nan 8.280 nan 0.000 0.536 249 L N 3.582 124.831 121.223 0.044 0.000 2.312 249 L HA 0.274 4.614 4.340 0.001 0.000 0.281 249 L C -0.733 176.065 176.870 -0.119 0.000 1.070 249 L CA -0.126 54.650 54.840 -0.107 0.000 0.805 249 L CB 0.502 42.388 42.059 -0.288 0.000 1.174 249 L HN 0.350 nan 8.230 nan 0.000 0.434 250 I N 2.593 123.079 120.570 -0.140 0.000 2.312 250 I HA 0.305 4.476 4.170 0.001 0.000 0.290 250 I C 0.788 176.822 176.117 -0.138 0.000 1.008 250 I CA -0.433 60.783 61.300 -0.139 0.000 1.226 250 I CB 0.940 38.858 38.000 -0.137 0.000 1.371 250 I HN 0.617 nan 8.210 nan 0.000 0.468 251 G N 7.497 116.213 108.800 -0.141 0.000 2.457 251 G HA2 0.510 4.470 3.960 0.001 0.000 0.316 251 G HA3 0.510 4.470 3.960 0.001 0.000 0.316 251 G C -0.115 174.726 174.900 -0.099 0.000 1.030 251 G CA -0.419 44.602 45.100 -0.131 0.000 1.073 251 G HN 0.554 nan 8.290 nan 0.000 0.430 252 L N 3.081 124.273 121.223 -0.053 0.000 2.407 252 L HA 0.276 4.617 4.340 0.001 0.000 0.261 252 L C -0.015 176.865 176.870 0.017 0.000 1.108 252 L CA -0.584 54.251 54.840 -0.009 0.000 0.995 252 L CB 0.625 42.702 42.059 0.030 0.000 1.349 252 L HN 0.649 nan 8.230 nan 0.000 0.423 253 D N -2.677 117.705 120.400 -0.030 0.000 2.501 253 D HA 0.007 4.647 4.640 0.001 0.000 0.224 253 D C 0.938 177.282 176.300 0.074 0.000 1.202 253 D CA -0.089 53.913 54.000 0.003 0.000 0.829 253 D CB 0.116 40.852 40.800 -0.108 0.000 1.023 253 D HN 0.409 nan 8.370 nan 0.000 0.499 254 H N 0.320 119.317 119.070 -0.123 0.000 2.581 254 H HA 0.210 4.767 4.556 0.001 0.000 0.275 254 H C 1.302 176.634 175.328 0.006 0.000 1.126 254 H CA -0.435 55.415 56.048 -0.330 0.000 1.097 254 H CB 0.791 30.284 29.762 -0.449 0.000 1.626 254 H HN 0.008 nan 8.280 nan 0.000 0.565 255 I N 1.903 122.596 120.570 0.205 0.000 2.121 255 I HA -0.231 3.940 4.170 0.001 0.000 0.243 255 I C -0.689 175.513 176.117 0.141 0.000 1.047 255 I CA 1.542 62.981 61.300 0.232 0.000 1.308 255 I CB -2.185 35.998 38.000 0.305 0.000 1.015 255 I HN 0.278 nan 8.210 nan 0.000 0.410 256 P HA -0.059 nan 4.420 nan 0.000 0.245 256 P C 0.236 177.418 177.300 -0.196 0.000 1.212 256 P CA 0.767 63.492 63.100 -0.626 0.000 0.774 256 P CB -0.436 30.490 31.700 -1.290 0.000 0.999 257 H N 0.500 119.499 119.070 -0.118 0.000 2.800 257 H HA 0.385 4.941 4.556 0.001 0.000 0.291 257 H C 0.142 175.451 175.328 -0.032 0.000 1.076 257 H CA 0.144 56.138 56.048 -0.090 0.000 1.452 257 H CB 0.659 30.272 29.762 -0.249 0.000 1.461 257 H HN 0.024 nan 8.280 nan 0.000 0.488 258 S N 2.206 117.939 115.700 0.056 0.000 2.570 258 S HA 0.401 4.872 4.470 0.001 0.000 0.286 258 S C -0.408 174.219 174.600 0.044 0.000 1.143 258 S CA -0.374 57.867 58.200 0.068 0.000 0.921 258 S CB 0.993 64.257 63.200 0.106 0.000 1.108 258 S HN 0.700 nan 8.310 nan 0.000 0.456 259 A N 4.952 127.796 122.820 0.039 0.000 2.610 259 A HA 0.466 4.787 4.320 0.001 0.000 0.286 259 A C 0.343 177.949 177.584 0.036 0.000 1.306 259 A CA -0.348 51.709 52.037 0.033 0.000 0.942 259 A CB -0.483 18.534 19.000 0.028 0.000 1.112 259 A HN 0.804 nan 8.150 nan 0.000 0.527 260 I N 0.547 121.143 120.570 0.043 0.000 2.668 260 I HA 0.206 4.377 4.170 0.001 0.000 0.285 260 I C 1.536 177.676 176.117 0.039 0.000 1.168 260 I CA 1.611 62.935 61.300 0.039 0.000 1.424 260 I CB 0.543 38.568 38.000 0.043 0.000 1.377 260 I HN 0.548 nan 8.210 nan 0.000 0.560 261 G N 5.196 114.015 108.800 0.031 0.000 2.176 261 G HA2 -0.261 3.700 3.960 0.001 0.000 0.253 261 G HA3 -0.261 3.700 3.960 0.001 0.000 0.253 261 G C 0.246 175.162 174.900 0.027 0.000 0.979 261 G CA -0.266 44.851 45.100 0.030 0.000 0.641 261 G HN 0.485 nan 8.290 nan 0.000 0.530 262 L N 0.442 121.682 121.223 0.028 0.000 3.168 262 L HA 0.453 4.794 4.340 0.001 0.000 0.277 262 L C 1.561 178.445 176.870 0.023 0.000 1.245 262 L CA 0.543 55.398 54.840 0.026 0.000 1.035 262 L CB 0.895 42.971 42.059 0.028 0.000 1.399 262 L HN 0.318 nan 8.230 nan 0.000 0.580 263 E N -0.348 119.865 120.200 0.022 0.000 2.463 263 E HA -0.229 4.122 4.350 0.001 0.000 0.201 263 E C 1.251 177.862 176.600 0.017 0.000 1.045 263 E CA 0.681 57.093 56.400 0.020 0.000 0.872 263 E CB 0.305 30.016 29.700 0.018 0.000 0.797 263 E HN 0.368 nan 8.360 nan 0.000 0.538 264 D N 0.187 120.597 120.400 0.016 0.000 2.219 264 D HA -0.105 4.536 4.640 0.001 0.000 0.205 264 D C 0.263 176.570 176.300 0.012 0.000 0.970 264 D CA 0.624 54.632 54.000 0.013 0.000 0.851 264 D CB 0.015 40.822 40.800 0.012 0.000 0.943 264 D HN -0.002 nan 8.370 nan 0.000 0.488 265 N N -0.111 118.599 118.700 0.017 0.000 2.527 265 N HA 0.219 4.960 4.740 0.001 0.000 0.236 265 N C 0.550 176.076 175.510 0.027 0.000 0.999 265 N CA -0.053 53.008 53.050 0.019 0.000 0.935 265 N CB 1.323 39.824 38.487 0.023 0.000 1.132 265 N HN -0.037 nan 8.380 nan 0.000 0.511 266 A N 2.910 125.743 122.820 0.021 0.000 1.892 266 A HA -0.162 4.159 4.320 0.001 0.000 0.218 266 A C 2.238 179.852 177.584 0.050 0.000 1.188 266 A CA 1.823 53.876 52.037 0.027 0.000 0.631 266 A CB -0.547 18.461 19.000 0.013 0.000 0.822 266 A HN 0.636 nan 8.150 nan 0.000 0.447 267 S N -0.743 114.990 115.700 0.055 0.000 2.359 267 S HA -0.053 4.417 4.470 0.001 0.000 0.224 267 S C 2.244 176.956 174.600 0.187 0.000 1.035 267 S CA 1.366 59.636 58.200 0.117 0.000 1.018 267 S CB -0.399 62.831 63.200 0.051 0.000 0.876 267 S HN 0.816 nan 8.310 nan 0.000 0.448 268 A N 0.313 123.197 122.820 0.108 0.000 2.016 268 A HA 0.067 4.388 4.320 0.001 0.000 0.217 268 A C 2.273 179.886 177.584 0.047 0.000 1.162 268 A CA 1.331 53.412 52.037 0.073 0.000 0.662 268 A CB -0.591 18.435 19.000 0.044 0.000 0.812 268 A HN 0.416 nan 8.150 nan 0.000 0.450 269 S N -0.109 115.621 115.700 0.051 0.000 2.368 269 S HA -0.036 4.435 4.470 0.001 0.000 0.224 269 S C 2.340 176.965 174.600 0.043 0.000 1.029 269 S CA 1.165 59.389 58.200 0.040 0.000 0.988 269 S CB -0.375 62.846 63.200 0.035 0.000 0.838 269 S HN 0.771 nan 8.310 nan 0.000 0.462 270 A N 1.247 124.106 122.820 0.065 0.000 1.877 270 A HA -0.031 4.290 4.320 0.001 0.000 0.216 270 A C 2.138 179.755 177.584 0.054 0.000 1.186 270 A CA 1.191 53.272 52.037 0.074 0.000 0.620 270 A CB -0.732 18.340 19.000 0.119 0.000 0.822 270 A HN 0.470 nan 8.150 nan 0.000 0.443 271 L N -0.719 120.523 121.223 0.031 0.000 2.005 271 L HA -0.096 4.245 4.340 0.001 0.000 0.207 271 L C 2.417 179.262 176.870 -0.042 0.000 1.072 271 L CA 1.499 56.294 54.840 -0.075 0.000 0.744 271 L CB -0.246 41.652 42.059 -0.268 0.000 0.895 271 L HN 0.430 nan 8.230 nan 0.000 0.433 272 L N -0.977 120.234 121.223 -0.019 0.000 2.209 272 L HA 0.223 4.564 4.340 0.001 0.000 0.207 272 L C 1.148 178.033 176.870 0.025 0.000 1.094 272 L CA 0.510 55.351 54.840 0.002 0.000 0.790 272 L CB -0.686 41.370 42.059 -0.005 0.000 0.932 272 L HN 0.457 nan 8.230 nan 0.000 0.447 273 G N 1.168 109.984 108.800 0.026 0.000 2.685 273 G HA2 -0.219 3.742 3.960 0.001 0.000 0.387 273 G HA3 -0.219 3.742 3.960 0.001 0.000 0.387 273 G C -0.106 174.815 174.900 0.035 0.000 1.324 273 G CA -0.161 44.959 45.100 0.033 0.000 0.878 273 G HN 0.356 nan 8.290 nan 0.000 0.527 274 I N -3.070 117.521 120.570 0.035 0.000 3.817 274 I HA 0.502 4.673 4.170 0.001 0.000 0.322 274 I C 0.526 176.662 176.117 0.031 0.000 1.512 274 I CA -0.717 60.602 61.300 0.032 0.000 1.066 274 I CB 0.324 38.338 38.000 0.025 0.000 1.336 274 I HN 0.345 nan 8.210 nan 0.000 0.539 275 R N 1.896 122.419 120.500 0.039 0.000 2.457 275 R HA 0.526 4.867 4.340 0.001 0.000 0.284 275 R C 0.508 176.834 176.300 0.043 0.000 1.024 275 R CA -0.278 55.844 56.100 0.035 0.000 1.025 275 R CB 1.675 32.000 30.300 0.043 0.000 1.063 275 R HN 0.485 nan 8.270 nan 0.000 0.493 276 S N 1.948 117.653 115.700 0.009 0.000 2.624 276 S HA 0.068 4.539 4.470 0.001 0.000 0.263 276 S C 1.259 175.874 174.600 0.025 0.000 1.287 276 S CA -0.912 57.280 58.200 -0.014 0.000 0.990 276 S CB 0.514 63.633 63.200 -0.136 0.000 0.950 276 S HN 0.932 nan 8.310 nan 0.000 0.561 277 W N 0.653 121.952 121.300 -0.002 0.000 2.467 277 W HA -0.063 4.597 4.660 0.001 0.000 0.275 277 W C 1.006 177.488 176.519 -0.061 0.000 1.239 277 W CA 0.817 58.166 57.345 0.007 0.000 1.266 277 W CB -0.952 28.561 29.460 0.088 0.000 1.112 277 W HN 0.632 nan 8.180 nan 0.000 0.576 278 Q N 1.442 120.751 119.800 -0.819 0.000 2.079 278 Q HA -0.114 4.227 4.340 0.001 0.000 0.200 278 Q C 2.380 178.234 176.000 -0.243 0.000 0.974 278 Q CA 3.346 58.611 55.803 -0.897 0.000 0.840 278 Q CB -0.925 27.268 28.738 -0.909 0.000 0.898 278 Q HN 0.138 nan 8.270 nan 0.000 0.430 279 T N 0.608 115.083 114.554 -0.132 0.000 2.652 279 T HA -0.189 4.161 4.350 0.001 0.000 0.267 279 T C 1.696 176.427 174.700 0.053 0.000 1.039 279 T CA 1.653 63.747 62.100 -0.010 0.000 1.153 279 T CB -0.213 68.655 68.868 -0.001 0.000 0.863 279 T HN 0.259 nan 8.240 nan 0.000 0.428 280 R N 1.236 121.784 120.500 0.079 0.000 2.070 280 R HA 0.039 4.380 4.340 0.001 0.000 0.233 280 R C 2.918 179.315 176.300 0.161 0.000 1.137 280 R CA 1.304 57.481 56.100 0.129 0.000 0.945 280 R CB -0.700 29.702 30.300 0.169 0.000 0.845 280 R HN 0.374 nan 8.270 nan 0.000 0.430 281 A N 1.467 124.409 122.820 0.205 0.000 1.948 281 A HA -0.182 4.139 4.320 0.001 0.000 0.220 281 A C 2.204 179.955 177.584 0.277 0.000 1.177 281 A CA 1.454 53.656 52.037 0.274 0.000 0.636 281 A CB -0.688 18.502 19.000 0.316 0.000 0.815 281 A HN 0.218 nan 8.150 nan 0.000 0.449 282 L N -0.839 120.532 121.223 0.246 0.000 2.191 282 L HA -0.163 4.178 4.340 0.001 0.000 0.212 282 L C 2.436 179.387 176.870 0.134 0.000 1.103 282 L CA 0.720 55.682 54.840 0.203 0.000 0.769 282 L CB -0.460 41.699 42.059 0.166 0.000 0.908 282 L HN 0.384 nan 8.230 nan 0.000 0.438 283 L N -0.445 120.850 121.223 0.120 0.000 2.079 283 L HA -0.250 4.090 4.340 0.001 0.000 0.210 283 L C 2.441 179.366 176.870 0.092 0.000 1.081 283 L CA 1.366 56.261 54.840 0.093 0.000 0.752 283 L CB -0.406 41.703 42.059 0.083 0.000 0.896 283 L HN 0.232 nan 8.230 nan 0.000 0.433 284 I N -0.052 120.585 120.570 0.112 0.000 2.163 284 I HA -0.339 3.831 4.170 0.001 0.000 0.243 284 I C 2.660 178.831 176.117 0.089 0.000 1.085 284 I CA 1.480 62.840 61.300 0.100 0.000 1.347 284 I CB -0.330 37.745 38.000 0.125 0.000 1.044 284 I HN 0.214 nan 8.210 nan 0.000 0.408 285 K N 1.614 122.074 120.400 0.099 0.000 2.026 285 K HA -0.178 4.143 4.320 0.001 0.000 0.208 285 K C 2.189 178.823 176.600 0.057 0.000 1.048 285 K CA 1.611 57.939 56.287 0.068 0.000 0.929 285 K CB -0.265 32.268 32.500 0.056 0.000 0.713 285 K HN 0.258 nan 8.250 nan 0.000 0.439 286 A N 1.200 124.060 122.820 0.066 0.000 1.892 286 A HA -0.188 4.133 4.320 0.001 0.000 0.218 286 A C 2.192 179.824 177.584 0.080 0.000 1.188 286 A CA 1.944 54.020 52.037 0.064 0.000 0.631 286 A CB -0.880 18.161 19.000 0.067 0.000 0.822 286 A HN 0.374 nan 8.150 nan 0.000 0.447 287 L N -0.928 120.353 121.223 0.097 0.000 2.093 287 L HA -0.156 4.185 4.340 0.001 0.000 0.208 287 L C 2.495 179.447 176.870 0.137 0.000 1.085 287 L CA 1.092 56.023 54.840 0.152 0.000 0.755 287 L CB -0.465 41.666 42.059 0.120 0.000 0.904 287 L HN 0.384 nan 8.230 nan 0.000 0.435 288 I N -0.150 120.466 120.570 0.077 0.000 2.179 288 I HA -0.300 3.871 4.170 0.001 0.000 0.242 288 I C 2.102 178.223 176.117 0.007 0.000 1.088 288 I CA 1.236 62.560 61.300 0.040 0.000 1.357 288 I CB -0.361 37.657 38.000 0.029 0.000 1.051 288 I HN 0.256 nan 8.210 nan 0.000 0.409 289 D N 0.535 120.944 120.400 0.015 0.000 2.158 289 D HA -0.201 4.440 4.640 0.001 0.000 0.197 289 D C 2.040 178.321 176.300 -0.032 0.000 0.995 289 D CA 1.140 55.136 54.000 -0.005 0.000 0.846 289 D CB -0.268 40.537 40.800 0.008 0.000 0.941 289 D HN 0.456 nan 8.370 nan 0.000 0.456 290 Q N -0.761 119.026 119.800 -0.021 0.000 2.444 290 Q HA 0.188 4.529 4.340 0.001 0.000 0.206 290 Q C 1.119 176.907 176.000 -0.354 0.000 0.948 290 Q CA 0.729 56.470 55.803 -0.103 0.000 0.946 290 Q CB 0.973 29.737 28.738 0.043 0.000 1.027 290 Q HN 0.340 nan 8.270 nan 0.000 0.513 291 G N 0.839 109.470 108.800 -0.282 0.000 2.131 291 G HA2 -0.241 3.719 3.960 0.001 0.000 0.201 291 G HA3 -0.241 3.719 3.960 0.001 0.000 0.201 291 G C -0.298 174.367 174.900 -0.391 0.000 1.000 291 G CA -0.397 44.496 45.100 -0.344 0.000 0.680 291 G HN 0.314 nan 8.290 nan 0.000 0.514 292 Y N 0.656 120.950 120.300 -0.011 0.000 2.764 292 Y HA 0.393 4.943 4.550 0.001 0.000 0.350 292 Y C 2.193 178.081 175.900 -0.020 0.000 0.982 292 Y CA -0.039 58.052 58.100 -0.016 0.000 1.431 292 Y CB -0.126 38.324 38.460 -0.017 0.000 1.326 292 Y HN 0.455 nan 8.280 nan 0.000 0.550 293 M N -1.016 118.632 119.600 0.080 0.000 2.175 293 M HA -0.131 4.349 4.480 0.001 0.000 0.264 293 M C 0.946 177.266 176.300 0.033 0.000 1.063 293 M CA 1.858 57.185 55.300 0.046 0.000 1.119 293 M CB -0.243 32.364 32.600 0.012 0.000 1.377 293 M HN 0.146 nan 8.290 nan 0.000 0.415 294 K N 0.520 120.943 120.400 0.039 0.000 2.504 294 K HA -0.011 4.310 4.320 0.001 0.000 0.195 294 K C 1.188 177.798 176.600 0.016 0.000 1.036 294 K CA 0.605 56.906 56.287 0.022 0.000 0.984 294 K CB 0.062 32.577 32.500 0.025 0.000 0.788 294 K HN 0.593 nan 8.250 nan 0.000 0.488 295 Q N 0.167 119.986 119.800 0.032 0.000 2.198 295 Q HA 0.234 4.575 4.340 0.001 0.000 0.209 295 Q C 0.169 176.138 176.000 -0.052 0.000 0.848 295 Q CA 0.148 55.942 55.803 -0.014 0.000 0.974 295 Q CB 0.628 29.360 28.738 -0.012 0.000 1.115 295 Q HN 0.276 nan 8.270 nan 0.000 0.494 296 I N 1.304 121.853 120.570 -0.036 0.000 2.437 296 I HA 0.355 4.526 4.170 0.001 0.000 0.298 296 I C -0.451 175.617 176.117 -0.081 0.000 0.984 296 I CA -0.730 60.539 61.300 -0.051 0.000 1.214 296 I CB 1.452 39.446 38.000 -0.010 0.000 1.365 296 I HN -0.112 nan 8.210 nan 0.000 0.469 297 L N 6.625 127.788 121.223 -0.099 0.000 2.409 297 L HA 0.612 4.952 4.340 0.001 0.000 0.272 297 L C -0.694 176.148 176.870 -0.046 0.000 0.980 297 L CA -0.929 53.849 54.840 -0.104 0.000 0.826 297 L CB 2.075 44.016 42.059 -0.197 0.000 1.268 297 L HN 0.379 nan 8.230 nan 0.000 0.407 298 V N -0.175 119.736 119.914 -0.005 0.000 2.628 298 V HA 0.917 5.038 4.120 0.001 0.000 0.306 298 V C -0.414 175.739 176.094 0.099 0.000 1.045 298 V CA -0.057 62.272 62.300 0.049 0.000 0.905 298 V CB 1.906 33.772 31.823 0.072 0.000 0.997 298 V HN 0.786 nan 8.190 nan 0.000 0.436 299 S N 1.788 117.560 115.700 0.121 0.000 2.757 299 S HA 0.539 5.009 4.470 0.001 0.000 0.285 299 S C 0.001 174.712 174.600 0.184 0.000 1.196 299 S CA -0.350 57.948 58.200 0.162 0.000 0.856 299 S CB 1.998 65.296 63.200 0.164 0.000 1.212 299 S HN 0.913 nan 8.310 nan 0.000 0.516 300 N N 0.681 119.511 118.700 0.216 0.000 2.273 300 N HA 0.102 4.843 4.740 0.001 0.000 0.192 300 N C -0.790 174.981 175.510 0.435 0.000 1.132 300 N CA 0.270 53.481 53.050 0.269 0.000 0.887 300 N CB 0.203 38.812 38.487 0.203 0.000 1.048 300 N HN 0.720 nan 8.380 nan 0.000 0.490 301 D N 0.173 120.787 120.400 0.356 0.000 2.723 301 D HA -0.183 4.457 4.640 0.001 0.000 0.236 301 D C -0.523 176.035 176.300 0.429 0.000 1.138 301 D CA 0.403 54.647 54.000 0.407 0.000 0.676 301 D CB -1.105 39.850 40.800 0.259 0.000 1.069 301 D HN 0.380 nan 8.370 nan 0.000 0.430 302 W N -0.523 120.820 121.300 0.072 0.000 2.260 302 W HA 0.549 5.209 4.660 0.001 0.000 0.366 302 W C 0.049 176.431 176.519 -0.228 0.000 1.315 302 W CA -0.592 56.673 57.345 -0.133 0.000 1.458 302 W CB 0.672 29.998 29.460 -0.224 0.000 1.255 302 W HN 0.052 nan 8.180 nan 0.000 0.671 303 L N -0.760 119.991 121.223 -0.787 0.000 2.838 303 L HA 0.421 4.761 4.340 0.001 0.000 0.266 303 L C -0.717 175.646 176.870 -0.845 0.000 1.040 303 L CA -0.645 53.778 54.840 -0.695 0.000 0.906 303 L CB 0.714 42.437 42.059 -0.561 0.000 1.501 303 L HN 0.301 nan 8.230 nan 0.000 0.407 304 F N -0.533 119.383 119.950 -0.057 0.000 2.706 304 F HA 0.723 5.250 4.527 0.001 0.000 0.308 304 F C 1.083 176.900 175.800 0.028 0.000 1.095 304 F CA -0.060 57.947 58.000 0.012 0.000 1.244 304 F CB 1.152 40.173 39.000 0.035 0.000 1.063 304 F HN 0.704 nan 8.300 nan 0.000 0.582 305 G N -0.405 108.471 108.800 0.127 0.000 2.696 305 G HA2 0.517 4.477 3.960 0.001 0.000 0.295 305 G HA3 0.517 4.477 3.960 0.001 0.000 0.295 305 G C -2.147 172.936 174.900 0.305 0.000 1.398 305 G CA -0.410 44.851 45.100 0.267 0.000 0.920 305 G HN -0.176 nan 8.290 nan 0.000 0.492 306 F N 2.297 122.452 119.950 0.341 0.000 3.361 306 F HA 0.374 4.901 4.527 0.001 0.000 0.390 306 F C 0.865 176.789 175.800 0.206 0.000 1.251 306 F CA -1.483 56.609 58.000 0.153 0.000 1.260 306 F CB 1.463 40.460 39.000 -0.005 0.000 1.847 306 F HN 0.498 nan 8.300 nan 0.000 0.673 307 S N 0.510 116.434 115.700 0.374 0.000 2.503 307 S HA -0.007 4.464 4.470 0.001 0.000 0.215 307 S C 1.261 175.661 174.600 -0.333 0.000 1.003 307 S CA 0.662 58.701 58.200 -0.268 0.000 0.910 307 S CB -0.237 62.348 63.200 -1.025 0.000 0.790 307 S HN 0.484 nan 8.310 nan 0.000 0.514 308 S N 0.217 115.908 115.700 -0.015 0.000 2.859 308 S HA 0.363 4.833 4.470 0.001 0.000 0.245 308 S C -0.332 174.317 174.600 0.083 0.000 1.008 308 S CA -0.588 57.630 58.200 0.029 0.000 1.089 308 S CB -0.860 62.442 63.200 0.171 0.000 0.798 308 S HN 0.605 nan 8.310 nan 0.000 0.477 309 Y N 0.115 120.189 120.300 -0.376 0.000 2.896 309 Y HA 0.512 5.062 4.550 0.001 0.000 0.317 309 Y C -0.307 175.394 175.900 -0.333 0.000 1.444 309 Y CA -1.495 56.321 58.100 -0.474 0.000 1.084 309 Y CB 0.897 38.755 38.460 -1.004 0.000 1.382 309 Y HN 0.150 nan 8.280 nan 0.000 0.471 310 V N 0.589 120.056 119.914 -0.744 0.000 2.999 310 V HA 0.271 4.391 4.120 0.001 0.000 0.307 310 V C 0.017 175.996 176.094 -0.191 0.000 1.084 310 V CA -0.322 61.715 62.300 -0.438 0.000 1.155 310 V CB -0.016 31.531 31.823 -0.461 0.000 0.975 310 V HN 0.745 nan 8.190 nan 0.000 0.490 311 T N 4.566 119.051 114.554 -0.115 0.000 2.916 311 T HA 0.214 4.565 4.350 0.001 0.000 0.303 311 T C 0.887 175.523 174.700 -0.106 0.000 1.025 311 T CA 1.088 63.141 62.100 -0.078 0.000 1.142 311 T CB -0.299 68.524 68.868 -0.074 0.000 0.947 311 T HN 1.130 nan 8.240 nan 0.000 0.544 312 N N -0.411 118.214 118.700 -0.126 0.000 2.965 312 N HA -0.191 4.549 4.740 0.001 0.000 0.232 312 N C 0.852 176.333 175.510 -0.048 0.000 0.913 312 N CA 0.609 53.603 53.050 -0.093 0.000 0.981 312 N CB -1.398 37.037 38.487 -0.085 0.000 1.077 312 N HN 0.561 nan 8.380 nan 0.000 0.589 313 I N 0.701 121.243 120.570 -0.047 0.000 2.315 313 I HA -0.208 3.962 4.170 0.001 0.000 0.251 313 I C 2.081 178.202 176.117 0.006 0.000 1.125 313 I CA 1.603 62.893 61.300 -0.018 0.000 1.392 313 I CB -0.118 37.862 38.000 -0.034 0.000 1.065 313 I HN 0.310 nan 8.210 nan 0.000 0.424 314 M N -0.425 119.194 119.600 0.031 0.000 2.149 314 M HA -0.249 4.232 4.480 0.001 0.000 0.261 314 M C 1.847 178.176 176.300 0.048 0.000 1.064 314 M CA 1.812 57.144 55.300 0.053 0.000 1.102 314 M CB -1.055 31.602 32.600 0.096 0.000 1.369 314 M HN 0.242 nan 8.290 nan 0.000 0.408 315 D N 0.024 120.444 120.400 0.034 0.000 2.116 315 D HA -0.148 4.493 4.640 0.001 0.000 0.193 315 D C 1.989 178.316 176.300 0.044 0.000 0.998 315 D CA 1.188 55.210 54.000 0.036 0.000 0.836 315 D CB -0.184 40.621 40.800 0.008 0.000 0.951 315 D HN 0.132 nan 8.370 nan 0.000 0.449 316 V N 0.274 120.206 119.914 0.031 0.000 2.407 316 V HA -0.235 3.885 4.120 0.001 0.000 0.248 316 V C 2.346 178.472 176.094 0.053 0.000 1.055 316 V CA 1.331 63.651 62.300 0.033 0.000 1.049 316 V CB -0.349 31.486 31.823 0.021 0.000 0.662 316 V HN 0.277 nan 8.190 nan 0.000 0.455 317 M N -0.582 119.049 119.600 0.051 0.000 2.156 317 M HA -0.112 4.369 4.480 0.001 0.000 0.264 317 M C 1.992 178.464 176.300 0.287 0.000 1.067 317 M CA 1.507 56.864 55.300 0.095 0.000 1.131 317 M CB -0.545 31.962 32.600 -0.155 0.000 1.368 317 M HN 0.316 nan 8.290 nan 0.000 0.416 318 D N 0.250 120.781 120.400 0.219 0.000 2.144 318 D HA -0.119 4.522 4.640 0.001 0.000 0.199 318 D C 2.031 178.417 176.300 0.143 0.000 0.984 318 D CA 1.135 55.277 54.000 0.236 0.000 0.834 318 D CB -0.288 40.621 40.800 0.182 0.000 0.955 318 D HN 0.338 nan 8.370 nan 0.000 0.465 319 R N 0.339 120.901 120.500 0.103 0.000 2.075 319 R HA -0.054 4.287 4.340 0.001 0.000 0.232 319 R C 2.429 178.764 176.300 0.058 0.000 1.126 319 R CA 0.642 56.782 56.100 0.067 0.000 0.963 319 R CB -0.352 29.979 30.300 0.051 0.000 0.858 319 R HN 0.072 nan 8.270 nan 0.000 0.435 320 V N 1.050 121.008 119.914 0.073 0.000 2.407 320 V HA -0.178 3.943 4.120 0.001 0.000 0.248 320 V C 0.581 176.664 176.094 -0.019 0.000 1.055 320 V CA 1.412 63.740 62.300 0.046 0.000 1.049 320 V CB -0.524 31.335 31.823 0.061 0.000 0.662 320 V HN 0.384 nan 8.190 nan 0.000 0.455 321 N N -0.430 118.252 118.700 -0.031 0.000 2.710 321 N HA 0.237 4.977 4.740 0.001 0.000 0.244 321 N C -1.940 173.431 175.510 -0.232 0.000 1.321 321 N CA -1.419 51.472 53.050 -0.264 0.000 0.758 321 N CB 1.525 39.558 38.487 -0.757 0.000 1.284 321 N HN -0.045 nan 8.380 nan 0.000 0.530 322 P HA -0.063 nan 4.420 nan 0.000 0.219 322 P C 0.206 177.455 177.300 -0.084 0.000 1.146 322 P CA 1.054 64.131 63.100 -0.039 0.000 0.808 322 P CB 0.413 32.107 31.700 -0.011 0.000 0.779 323 D N -0.662 119.655 120.400 -0.139 0.000 2.348 323 D HA 0.022 4.663 4.640 0.001 0.000 0.216 323 D C 1.667 177.823 176.300 -0.241 0.000 0.970 323 D CA 1.224 55.139 54.000 -0.140 0.000 0.889 323 D CB -0.404 40.339 40.800 -0.096 0.000 0.912 323 D HN 0.151 nan 8.370 nan 0.000 0.524 324 G N 1.462 109.955 108.800 -0.511 0.000 2.614 324 G HA2 -0.404 3.557 3.960 0.001 0.000 0.303 324 G HA3 -0.404 3.557 3.960 0.001 0.000 0.303 324 G C 1.031 175.537 174.900 -0.657 0.000 1.270 324 G CA 0.532 45.126 45.100 -0.843 0.000 0.988 324 G HN 0.271 nan 8.290 nan 0.000 0.551 325 M N 1.243 120.673 119.600 -0.284 0.000 2.549 325 M HA 0.110 4.591 4.480 0.001 0.000 0.260 325 M C 2.623 178.884 176.300 -0.065 0.000 1.076 325 M CA 1.547 56.796 55.300 -0.085 0.000 1.090 325 M CB -0.149 32.490 32.600 0.066 0.000 1.418 325 M HN 0.689 nan 8.290 nan 0.000 0.486 326 A N -0.672 122.092 122.820 -0.094 0.000 2.251 326 A HA -0.013 4.307 4.320 0.001 0.000 0.209 326 A C 1.730 179.245 177.584 -0.115 0.000 1.187 326 A CA 0.013 51.984 52.037 -0.109 0.000 0.823 326 A CB -0.786 18.149 19.000 -0.108 0.000 0.846 326 A HN 0.505 nan 8.150 nan 0.000 0.486 327 F N 1.018 120.801 119.950 -0.279 0.000 2.091 327 F HA -0.279 4.248 4.527 0.001 0.000 0.299 327 F C 1.922 177.577 175.800 -0.241 0.000 1.103 327 F CA 1.903 59.707 58.000 -0.326 0.000 1.228 327 F CB -0.041 38.694 39.000 -0.441 0.000 0.984 327 F HN 0.200 nan 8.300 nan 0.000 0.477 328 I N 1.516 122.102 120.570 0.027 0.000 2.069 328 I HA -0.245 3.925 4.170 0.001 0.000 0.237 328 I C -0.249 175.850 176.117 -0.031 0.000 1.053 328 I CA 2.119 63.441 61.300 0.036 0.000 1.311 328 I CB -2.955 35.169 38.000 0.207 0.000 1.030 328 I HN 0.139 nan 8.210 nan 0.000 0.398 329 P HA -0.110 nan 4.420 nan 0.000 0.217 329 P C 2.259 179.513 177.300 -0.077 0.000 1.150 329 P CA 1.492 64.604 63.100 0.020 0.000 0.832 329 P CB -0.037 31.609 31.700 -0.090 0.000 0.787 330 L N -1.083 120.035 121.223 -0.176 0.000 2.095 330 L HA -0.013 4.328 4.340 0.001 0.000 0.204 330 L C 2.854 179.555 176.870 -0.282 0.000 1.080 330 L CA 1.413 56.131 54.840 -0.204 0.000 0.759 330 L CB -0.453 41.475 42.059 -0.219 0.000 0.914 330 L HN -0.093 nan 8.230 nan 0.000 0.439 331 R N -1.277 118.907 120.500 -0.527 0.000 2.142 331 R HA 0.063 4.404 4.340 0.001 0.000 0.204 331 R C 2.157 178.187 176.300 -0.450 0.000 1.059 331 R CA 0.389 56.077 56.100 -0.686 0.000 1.055 331 R CB -0.074 29.399 30.300 -1.378 0.000 0.976 331 R HN 0.063 nan 8.270 nan 0.000 0.483 332 V N 1.937 121.600 119.914 -0.418 0.000 2.323 332 V HA -0.194 3.926 4.120 0.001 0.000 0.244 332 V C 2.319 178.510 176.094 0.162 0.000 1.041 332 V CA 1.369 63.661 62.300 -0.014 0.000 1.025 332 V CB -0.365 31.493 31.823 0.058 0.000 0.656 332 V HN 0.160 nan 8.190 nan 0.000 0.451 333 I N 0.441 121.061 120.570 0.083 0.000 2.118 333 I HA -0.142 4.029 4.170 0.001 0.000 0.241 333 I C 0.102 176.287 176.117 0.112 0.000 1.070 333 I CA 1.770 63.133 61.300 0.106 0.000 1.327 333 I CB -2.903 35.157 38.000 0.100 0.000 1.034 333 I HN 0.334 nan 8.210 nan 0.000 0.405 334 P HA -0.162 nan 4.420 nan 0.000 0.219 334 P C 2.043 179.436 177.300 0.155 0.000 1.150 334 P CA 1.191 64.350 63.100 0.098 0.000 0.814 334 P CB -0.200 31.543 31.700 0.071 0.000 0.787 335 F N 0.399 120.398 119.950 0.082 0.000 2.113 335 F HA -0.115 4.412 4.527 0.001 0.000 0.297 335 F C 1.954 177.805 175.800 0.086 0.000 1.103 335 F CA 1.423 59.499 58.000 0.125 0.000 1.248 335 F CB -0.864 38.302 39.000 0.276 0.000 0.999 335 F HN -0.283 nan 8.300 nan 0.000 0.475 336 L N -0.322 121.007 121.223 0.177 0.000 2.093 336 L HA -0.167 4.174 4.340 0.001 0.000 0.208 336 L C 2.649 179.488 176.870 -0.052 0.000 1.085 336 L CA 0.711 55.566 54.840 0.026 0.000 0.755 336 L CB -0.716 41.424 42.059 0.134 0.000 0.904 336 L HN 0.033 nan 8.230 nan 0.000 0.435 337 R N 1.077 121.574 120.500 -0.004 0.000 2.082 337 R HA -0.187 4.154 4.340 0.001 0.000 0.234 337 R C 2.049 178.311 176.300 -0.063 0.000 1.136 337 R CA 1.752 57.842 56.100 -0.018 0.000 0.935 337 R CB -0.643 29.663 30.300 0.010 0.000 0.842 337 R HN 0.405 nan 8.270 nan 0.000 0.430 338 E N 0.117 120.268 120.200 -0.082 0.000 2.219 338 E HA -0.171 4.179 4.350 0.001 0.000 0.198 338 E C 1.441 177.931 176.600 -0.183 0.000 0.998 338 E CA 0.932 57.263 56.400 -0.116 0.000 0.818 338 E CB 0.059 29.693 29.700 -0.110 0.000 0.741 338 E HN 0.119 nan 8.360 nan 0.000 0.477 339 K N -0.776 119.463 120.400 -0.268 0.000 2.444 339 K HA 0.068 4.389 4.320 0.001 0.000 0.193 339 K C 1.162 177.678 176.600 -0.139 0.000 1.024 339 K CA 0.750 56.882 56.287 -0.259 0.000 1.077 339 K CB 1.112 33.388 32.500 -0.373 0.000 0.833 339 K HN 0.297 nan 8.250 nan 0.000 0.517 340 G N 0.276 109.017 108.800 -0.100 0.000 2.255 340 G HA2 -0.219 3.742 3.960 0.001 0.000 0.196 340 G HA3 -0.219 3.742 3.960 0.001 0.000 0.196 340 G C 0.085 174.960 174.900 -0.043 0.000 0.998 340 G CA -0.142 44.920 45.100 -0.062 0.000 0.656 340 G HN 0.072 nan 8.290 nan 0.000 0.490 341 V N 2.951 122.842 119.914 -0.040 0.000 2.572 341 V HA 0.398 4.519 4.120 0.001 0.000 0.291 341 V C -1.516 174.569 176.094 -0.014 0.000 1.039 341 V CA -1.017 61.272 62.300 -0.019 0.000 1.055 341 V CB 1.081 32.901 31.823 -0.004 0.000 0.969 341 V HN 0.150 nan 8.190 nan 0.000 0.482 342 P HA 0.143 nan 4.420 nan 0.000 0.271 342 P C 0.461 177.757 177.300 -0.006 0.000 1.216 342 P CA -0.140 62.953 63.100 -0.011 0.000 0.771 342 P CB 0.768 32.461 31.700 -0.012 0.000 0.864 343 Q N 2.841 122.639 119.800 -0.003 0.000 2.096 343 Q HA -0.269 4.072 4.340 0.001 0.000 0.208 343 Q C 1.768 177.766 176.000 -0.005 0.000 0.993 343 Q CA 2.007 57.811 55.803 0.001 0.000 0.862 343 Q CB -0.554 28.187 28.738 0.005 0.000 0.915 343 Q HN 0.479 nan 8.270 nan 0.000 0.416 344 E N -1.320 118.876 120.200 -0.007 0.000 2.114 344 E HA -0.224 4.126 4.350 0.001 0.000 0.199 344 E C 1.792 178.382 176.600 -0.017 0.000 1.008 344 E CA 1.711 58.105 56.400 -0.011 0.000 0.810 344 E CB -0.050 29.644 29.700 -0.010 0.000 0.739 344 E HN 0.461 nan 8.360 nan 0.000 0.456 345 T N 1.041 115.586 114.554 -0.015 0.000 2.821 345 T HA -0.073 4.277 4.350 0.001 0.000 0.267 345 T C 1.901 176.586 174.700 -0.024 0.000 1.046 345 T CA 0.626 62.715 62.100 -0.017 0.000 1.139 345 T CB -0.061 68.800 68.868 -0.012 0.000 0.871 345 T HN 0.124 nan 8.240 nan 0.000 0.454 346 L N 0.743 121.954 121.223 -0.021 0.000 2.093 346 L HA -0.020 4.320 4.340 0.001 0.000 0.208 346 L C 2.991 179.814 176.870 -0.078 0.000 1.085 346 L CA 1.066 55.887 54.840 -0.032 0.000 0.755 346 L CB -0.633 41.423 42.059 -0.004 0.000 0.904 346 L HN 0.235 nan 8.230 nan 0.000 0.435 347 A N 0.270 123.053 122.820 -0.062 0.000 2.014 347 A HA -0.038 4.283 4.320 0.001 0.000 0.218 347 A C 2.380 179.908 177.584 -0.094 0.000 1.163 347 A CA 1.403 53.390 52.037 -0.083 0.000 0.652 347 A CB -0.916 18.061 19.000 -0.039 0.000 0.808 347 A HN 0.424 nan 8.150 nan 0.000 0.449 348 G N -0.024 108.737 108.800 -0.066 0.000 2.408 348 G HA2 -0.123 3.838 3.960 0.001 0.000 0.217 348 G HA3 -0.123 3.838 3.960 0.001 0.000 0.217 348 G C 1.483 176.339 174.900 -0.073 0.000 1.150 348 G CA 1.024 46.090 45.100 -0.056 0.000 0.776 348 G HN 0.461 nan 8.290 nan 0.000 0.542 349 I N 1.451 121.969 120.570 -0.086 0.000 2.315 349 I HA -0.122 4.049 4.170 0.001 0.000 0.248 349 I C 3.039 179.062 176.117 -0.158 0.000 1.117 349 I CA 1.713 62.957 61.300 -0.093 0.000 1.404 349 I CB -0.085 37.876 38.000 -0.065 0.000 1.071 349 I HN 0.323 nan 8.210 nan 0.000 0.419 350 T N -3.152 111.237 114.554 -0.274 0.000 3.051 350 T HA 0.117 4.468 4.350 0.001 0.000 0.255 350 T C 1.460 175.925 174.700 -0.392 0.000 1.085 350 T CA 0.427 62.219 62.100 -0.514 0.000 1.109 350 T CB 0.112 68.273 68.868 -1.178 0.000 0.921 350 T HN 0.098 nan 8.240 nan 0.000 0.488 351 V N 0.871 120.651 119.914 -0.224 0.000 2.840 351 V HA 0.057 4.178 4.120 0.001 0.000 0.234 351 V C 2.830 178.897 176.094 -0.044 0.000 1.159 351 V CA 1.208 63.446 62.300 -0.103 0.000 1.194 351 V CB -0.399 31.383 31.823 -0.069 0.000 0.971 351 V HN 0.374 nan 8.190 nan 0.000 0.494 352 T N 1.015 115.542 114.554 -0.045 0.000 2.737 352 T HA -0.150 4.201 4.350 0.001 0.000 0.265 352 T C 1.816 176.513 174.700 -0.004 0.000 1.038 352 T CA 1.880 63.969 62.100 -0.019 0.000 1.144 352 T CB -0.332 68.525 68.868 -0.018 0.000 0.866 352 T HN 0.324 nan 8.240 nan 0.000 0.434 353 N N 1.484 120.174 118.700 -0.017 0.000 2.025 353 N HA -0.065 4.676 4.740 0.001 0.000 0.194 353 N C -0.945 174.591 175.510 0.043 0.000 1.044 353 N CA 1.351 54.400 53.050 -0.003 0.000 0.851 353 N CB -1.555 36.910 38.487 -0.037 0.000 1.036 353 N HN 0.319 nan 8.380 nan 0.000 0.422 354 P HA -0.100 nan 4.420 nan 0.000 0.215 354 P C 1.091 178.466 177.300 0.124 0.000 1.157 354 P CA 1.845 65.011 63.100 0.109 0.000 0.874 354 P CB -0.177 31.570 31.700 0.078 0.000 0.790 355 A N 0.143 123.002 122.820 0.065 0.000 1.873 355 A HA -0.273 4.048 4.320 0.001 0.000 0.218 355 A C 2.490 180.099 177.584 0.042 0.000 1.193 355 A CA 2.083 54.145 52.037 0.041 0.000 0.629 355 A CB -1.430 17.584 19.000 0.023 0.000 0.826 355 A HN 0.010 nan 8.150 nan 0.000 0.447 356 R N -1.962 118.571 120.500 0.054 0.000 2.080 356 R HA -0.180 4.161 4.340 0.001 0.000 0.236 356 R C 2.060 178.417 176.300 0.096 0.000 1.137 356 R CA 2.001 58.135 56.100 0.056 0.000 0.943 356 R CB -0.525 29.808 30.300 0.055 0.000 0.846 356 R HN 0.566 nan 8.270 nan 0.000 0.431 357 F N 1.338 121.269 119.950 -0.032 0.000 2.102 357 F HA -0.154 4.374 4.527 0.002 0.000 0.298 357 F C 1.928 177.704 175.800 -0.040 0.000 1.105 357 F CA 1.445 59.422 58.000 -0.037 0.000 1.239 357 F CB -0.438 38.543 39.000 -0.031 0.000 0.991 357 F HN -0.023 nan 8.300 nan 0.000 0.474 358 L N -0.332 120.857 121.223 -0.057 0.000 2.201 358 L HA -0.112 4.228 4.340 0.001 0.000 0.212 358 L C 1.034 177.806 176.870 -0.163 0.000 1.105 358 L CA 0.421 55.151 54.840 -0.183 0.000 0.775 358 L CB -0.870 41.158 42.059 -0.052 0.000 0.913 358 L HN -0.054 nan 8.230 nan 0.000 0.440 359 S N 0.961 116.602 115.700 -0.099 0.000 2.498 359 S HA 0.122 4.593 4.470 0.001 0.000 0.281 359 S C -2.129 172.405 174.600 -0.110 0.000 1.265 359 S CA -1.042 57.107 58.200 -0.086 0.000 1.071 359 S CB 0.415 63.584 63.200 -0.051 0.000 0.894 359 S HN -0.000 nan 8.310 nan 0.000 0.491 360 P HA 0.103 nan 4.420 nan 0.000 0.262 360 P C -0.774 176.477 177.300 -0.082 0.000 1.199 360 P CA 0.120 63.158 63.100 -0.104 0.000 0.763 360 P CB 0.107 31.756 31.700 -0.085 0.000 0.790 361 T N 4.684 119.186 114.554 -0.086 0.000 2.890 361 T HA 0.373 4.724 4.350 0.001 0.000 0.295 361 T C -0.362 174.304 174.700 -0.057 0.000 0.993 361 T CA -0.547 61.515 62.100 -0.064 0.000 0.979 361 T CB 0.660 69.492 68.868 -0.061 0.000 0.967 361 T HN 0.002 nan 8.240 nan 0.000 0.441 362 L N 2.664 123.861 121.223 -0.043 0.000 2.357 362 L HA 0.556 4.897 4.340 0.001 0.000 0.273 362 L C 0.935 177.788 176.870 -0.029 0.000 1.080 362 L CA -0.574 54.245 54.840 -0.035 0.000 0.803 362 L CB 0.892 42.935 42.059 -0.028 0.000 1.174 362 L HN 0.551 nan 8.230 nan 0.000 0.443 363 R N 0.000 120.485 120.500 -0.024 0.000 2.786 363 R HA 0.000 4.341 4.340 0.001 0.000 0.208 363 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 363 R CB 0.000 30.290 30.300 -0.016 0.000 0.687 363 R HN 0.000 nan 8.270 nan 0.000 0.535