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 2psn_1_A DATA FIRST_RESID 1 DATA SEQUENCE SILKIHAREI FDSRGNPTVE VDLFTSKGLF RAAVPSGAST GIYEALELRD DATA SEQUENCE NDKTRYMGKG VSKAVEHINK TIAPALVSKK LNVTEQEKID KLMIEMDGTE DATA SEQUENCE NKSKFGANAI LGVSLAVCKA GAVEKGVPLY RHIADLAGNS EVILPVPAFN DATA SEQUENCE VINGGSHAGN KLAMQEFMIL PVGAANFREA MRIGAEVYHN LKNVIKEKYG DATA SEQUENCE KDATNVGDEG GFAPNILENK EGLELLKTAI GKAGYTDKVV IGMDVAASEF DATA SEQUENCE FRSGKYDLDF KSPDDPSRYI SPDQLADLYK SFIKDYPVVS IEDPFDQDDW DATA SEQUENCE GAWQKFTASA GIQVVGDDLT VTNPKRIAKA VNEKSCNCLL LKVNQIGSVT DATA SEQUENCE ESLQACKLAQ ANGWGVMVSH RSGETEDTFI ADLVVGLCTG QIKTGAPCRS DATA SEQUENCE ERLAKYNQLL RIEEELGSKA KFAGRNFRNP LA 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.630 174.600 0.051 0.000 1.055 1 S CA 0.000 58.218 58.200 0.030 0.000 1.107 1 S CB 0.000 63.210 63.200 0.017 0.000 0.593 2 I N 3.419 124.018 120.570 0.050 0.000 2.347 2 I HA 0.249 4.419 4.170 -0.000 0.000 0.294 2 I C 1.190 177.358 176.117 0.085 0.000 1.090 2 I CA -0.291 61.055 61.300 0.076 0.000 1.314 2 I CB 0.859 38.895 38.000 0.061 0.000 1.423 2 I HN 0.273 nan 8.210 nan 0.000 0.503 3 L N 5.633 126.927 121.223 0.118 0.000 2.270 3 L HA 0.151 4.491 4.340 -0.000 0.000 0.210 3 L C 0.903 177.822 176.870 0.082 0.000 1.104 3 L CA 0.771 55.663 54.840 0.088 0.000 0.804 3 L CB -0.261 41.850 42.059 0.087 0.000 0.937 3 L HN 0.561 nan 8.230 nan 0.000 0.450 4 K N 0.123 120.622 120.400 0.165 0.000 2.610 4 K HA 0.492 4.812 4.320 -0.000 0.000 0.278 4 K C -1.994 174.792 176.600 0.310 0.000 0.964 4 K CA -0.556 55.832 56.287 0.167 0.000 0.859 4 K CB 2.231 34.744 32.500 0.022 0.000 1.434 4 K HN -0.112 nan 8.250 nan 0.000 0.410 5 I N 2.881 123.591 120.570 0.233 0.000 2.607 5 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 5 I C -1.110 175.158 176.117 0.251 0.000 1.129 5 I CA -0.735 60.699 61.300 0.223 0.000 1.042 5 I CB 2.113 40.181 38.000 0.113 0.000 1.242 5 I HN 0.576 nan 8.210 nan 0.000 0.421 6 H N 5.234 124.387 119.070 0.137 0.000 2.856 6 H HA 0.746 5.302 4.556 -0.000 0.000 0.355 6 H C -1.690 173.667 175.328 0.048 0.000 1.079 6 H CA -0.564 55.538 56.048 0.091 0.000 1.240 6 H CB 2.162 32.003 29.762 0.132 0.000 1.701 6 H HN 0.750 nan 8.280 nan 0.000 0.527 7 A N 4.754 127.317 122.820 -0.428 0.000 2.337 7 A HA 0.741 5.061 4.320 -0.000 0.000 0.331 7 A C -0.527 176.747 177.584 -0.517 0.000 1.137 7 A CA -0.802 51.018 52.037 -0.361 0.000 0.807 7 A CB 1.363 20.246 19.000 -0.196 0.000 1.250 7 A HN 0.881 nan 8.150 nan 0.000 0.468 8 R N 0.543 120.863 120.500 -0.301 0.000 2.764 8 R HA 0.625 4.965 4.340 -0.000 0.000 0.270 8 R C -1.133 175.068 176.300 -0.165 0.000 1.014 8 R CA -0.731 55.237 56.100 -0.220 0.000 0.904 8 R CB 1.257 31.466 30.300 -0.152 0.000 1.236 8 R HN 0.626 nan 8.270 nan 0.000 0.466 9 E N 2.233 122.339 120.200 -0.156 0.000 2.200 9 E HA 0.370 4.720 4.350 -0.000 0.000 0.283 9 E C -0.401 176.045 176.600 -0.257 0.000 1.015 9 E CA -0.717 55.551 56.400 -0.221 0.000 0.819 9 E CB 0.853 30.418 29.700 -0.225 0.000 1.081 9 E HN 0.490 nan 8.360 nan 0.000 0.397 10 I N -0.310 120.074 120.570 -0.310 0.000 3.516 10 I HA 0.598 4.768 4.170 -0.000 0.000 0.297 10 I C -1.060 174.754 176.117 -0.505 0.000 1.139 10 I CA -1.234 59.907 61.300 -0.265 0.000 1.020 10 I CB 1.258 39.214 38.000 -0.074 0.000 1.341 10 I HN 0.259 nan 8.210 nan 0.000 0.490 11 F N 1.323 121.233 119.950 -0.066 0.000 2.469 11 F HA 0.418 4.945 4.527 -0.000 0.000 0.332 11 F C -0.027 175.741 175.800 -0.054 0.000 1.103 11 F CA -0.466 57.490 58.000 -0.073 0.000 0.979 11 F CB 1.313 40.285 39.000 -0.047 0.000 1.137 11 F HN 0.580 nan 8.300 nan 0.000 0.463 12 D N -0.308 120.145 120.400 0.088 0.000 2.451 12 D HA 0.124 4.764 4.640 -0.000 0.000 0.259 12 D C 1.105 177.445 176.300 0.068 0.000 1.201 12 D CA -0.409 53.617 54.000 0.044 0.000 1.028 12 D CB 0.529 41.323 40.800 -0.009 0.000 1.095 12 D HN 0.415 nan 8.370 nan 0.000 0.539 13 S N -0.806 114.912 115.700 0.030 0.000 2.493 13 S HA -0.168 4.301 4.470 -0.000 0.000 0.243 13 S C 1.432 176.044 174.600 0.021 0.000 0.991 13 S CA 0.559 58.773 58.200 0.023 0.000 0.957 13 S CB -0.403 62.800 63.200 0.004 0.000 0.756 13 S HN 0.524 nan 8.310 nan 0.000 0.521 14 R N 0.296 120.810 120.500 0.024 0.000 2.362 14 R HA 0.274 4.614 4.340 -0.000 0.000 0.227 14 R C 1.226 177.563 176.300 0.060 0.000 0.905 14 R CA 0.415 56.532 56.100 0.027 0.000 1.067 14 R CB 0.211 30.517 30.300 0.011 0.000 1.078 14 R HN 0.572 nan 8.270 nan 0.000 0.516 15 G N 1.353 110.213 108.800 0.101 0.000 2.132 15 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.228 15 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.228 15 G C -0.458 174.620 174.900 0.296 0.000 1.000 15 G CA -0.361 44.839 45.100 0.166 0.000 0.693 15 G HN 0.236 nan 8.290 nan 0.000 0.515 16 N N 0.668 119.476 118.700 0.180 0.000 2.370 16 N HA 0.546 5.285 4.740 -0.000 0.000 0.303 16 N C -2.834 172.585 175.510 -0.153 0.000 1.103 16 N CA -1.515 51.561 53.050 0.044 0.000 0.848 16 N CB 1.919 40.405 38.487 -0.001 0.000 1.235 16 N HN -0.033 nan 8.380 nan 0.000 0.496 17 P HA 0.112 nan 4.420 nan 0.000 0.269 17 P C -0.227 176.858 177.300 -0.358 0.000 1.209 17 P CA 0.298 62.999 63.100 -0.665 0.000 0.776 17 P CB 0.717 31.933 31.700 -0.806 0.000 0.876 18 T N 0.968 115.325 114.554 -0.328 0.000 2.792 18 T HA 0.376 4.725 4.350 -0.000 0.000 0.303 18 T C -1.247 173.342 174.700 -0.185 0.000 1.310 18 T CA -0.571 61.411 62.100 -0.197 0.000 1.007 18 T CB 0.713 69.502 68.868 -0.132 0.000 1.335 18 T HN -0.053 nan 8.240 nan 0.000 0.504 19 V N 2.678 122.513 119.914 -0.131 0.000 2.546 19 V HA 0.557 4.677 4.120 -0.000 0.000 0.284 19 V C 0.235 176.267 176.094 -0.104 0.000 1.050 19 V CA -0.251 61.978 62.300 -0.118 0.000 0.981 19 V CB 1.203 32.971 31.823 -0.092 0.000 0.990 19 V HN 0.851 nan 8.190 nan 0.000 0.474 20 E N 3.548 123.683 120.200 -0.108 0.000 2.266 20 E HA 0.704 5.053 4.350 -0.000 0.000 0.268 20 E C -1.960 174.583 176.600 -0.094 0.000 0.879 20 E CA -0.559 55.789 56.400 -0.087 0.000 0.762 20 E CB 2.351 32.008 29.700 -0.073 0.000 1.199 20 E HN 0.427 nan 8.360 nan 0.000 0.422 21 V N 3.401 123.270 119.914 -0.074 0.000 2.588 21 V HA 0.326 4.446 4.120 -0.000 0.000 0.304 21 V C -1.111 174.952 176.094 -0.051 0.000 1.042 21 V CA -0.924 61.336 62.300 -0.067 0.000 0.877 21 V CB 2.039 33.827 31.823 -0.058 0.000 0.996 21 V HN 0.727 nan 8.190 nan 0.000 0.425 22 D N 3.805 124.186 120.400 -0.033 0.000 2.256 22 D HA 0.608 5.248 4.640 -0.000 0.000 0.240 22 D C -0.683 175.559 176.300 -0.097 0.000 1.062 22 D CA 0.005 53.940 54.000 -0.109 0.000 0.832 22 D CB 2.180 42.955 40.800 -0.042 0.000 1.135 22 D HN 0.444 nan 8.370 nan 0.000 0.484 23 L N 2.884 123.987 121.223 -0.199 0.000 2.385 23 L HA 0.574 4.913 4.340 -0.000 0.000 0.273 23 L C -1.539 175.257 176.870 -0.123 0.000 0.990 23 L CA -0.683 54.145 54.840 -0.019 0.000 0.821 23 L CB 0.955 43.056 42.059 0.070 0.000 1.279 23 L HN 0.144 nan 8.230 nan 0.000 0.412 24 F N 2.219 122.257 119.950 0.145 0.000 2.480 24 F HA 0.738 5.265 4.527 -0.000 0.000 0.329 24 F C 0.603 176.501 175.800 0.162 0.000 1.091 24 F CA -0.376 57.706 58.000 0.138 0.000 0.972 24 F CB 2.245 41.279 39.000 0.056 0.000 1.150 24 F HN 0.516 nan 8.300 nan 0.000 0.467 25 T N -2.943 111.840 114.554 0.381 0.000 2.742 25 T HA 0.314 4.664 4.350 -0.000 0.000 0.282 25 T C 0.837 175.669 174.700 0.220 0.000 1.025 25 T CA -0.090 62.169 62.100 0.266 0.000 1.020 25 T CB 1.144 70.159 68.868 0.245 0.000 1.317 25 T HN 0.504 nan 8.240 nan 0.000 0.538 26 S N -0.169 115.620 115.700 0.148 0.000 2.474 26 S HA -0.030 4.440 4.470 -0.000 0.000 0.235 26 S C 1.358 176.026 174.600 0.114 0.000 0.997 26 S CA 0.173 58.437 58.200 0.107 0.000 0.949 26 S CB -0.517 62.725 63.200 0.069 0.000 0.766 26 S HN 0.616 nan 8.310 nan 0.000 0.517 27 K N 1.497 122.001 120.400 0.172 0.000 2.426 27 K HA 0.347 4.667 4.320 -0.000 0.000 0.193 27 K C 1.263 177.921 176.600 0.096 0.000 1.028 27 K CA 0.665 57.057 56.287 0.175 0.000 1.047 27 K CB -0.046 32.619 32.500 0.276 0.000 0.821 27 K HN 0.580 nan 8.250 nan 0.000 0.513 28 G N 1.096 109.930 108.800 0.056 0.000 2.280 28 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.277 28 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.277 28 G C -1.938 172.716 174.900 -0.410 0.000 1.288 28 G CA -0.739 44.261 45.100 -0.168 0.000 1.075 28 G HN 0.087 nan 8.290 nan 0.000 0.480 29 L N 0.121 120.963 121.223 -0.635 0.000 2.289 29 L HA 0.896 5.236 4.340 -0.000 0.000 0.285 29 L C -1.163 175.068 176.870 -1.065 0.000 1.049 29 L CA -1.007 53.346 54.840 -0.812 0.000 0.804 29 L CB 0.673 42.409 42.059 -0.540 0.000 1.195 29 L HN 0.459 nan 8.230 nan 0.000 0.428 30 F N 4.786 124.541 119.950 -0.324 0.000 2.536 30 F HA 0.587 5.114 4.527 -0.000 0.000 0.322 30 F C 0.030 175.718 175.800 -0.188 0.000 1.144 30 F CA -0.556 57.336 58.000 -0.182 0.000 0.924 30 F CB 1.444 40.372 39.000 -0.120 0.000 1.181 30 F HN 0.469 nan 8.300 nan 0.000 0.438 31 R N 2.304 122.805 120.500 0.003 0.000 2.637 31 R HA 0.951 5.291 4.340 -0.000 0.000 0.291 31 R C -1.551 174.760 176.300 0.019 0.000 0.963 31 R CA -0.648 55.438 56.100 -0.024 0.000 0.901 31 R CB 1.776 32.042 30.300 -0.056 0.000 1.160 31 R HN 0.815 nan 8.270 nan 0.000 0.457 32 A N 2.120 124.936 122.820 -0.008 0.000 2.572 32 A HA 0.817 5.136 4.320 -0.000 0.000 0.295 32 A C -1.703 175.858 177.584 -0.038 0.000 1.072 32 A CA -0.481 51.548 52.037 -0.013 0.000 0.691 32 A CB 1.898 20.870 19.000 -0.047 0.000 1.291 32 A HN 0.853 nan 8.150 nan 0.000 0.404 33 A N 0.231 123.030 122.820 -0.035 0.000 2.430 33 A HA 0.819 5.138 4.320 -0.000 0.000 0.300 33 A C -1.063 176.488 177.584 -0.055 0.000 1.124 33 A CA -0.564 51.446 52.037 -0.045 0.000 0.766 33 A CB 1.419 20.402 19.000 -0.028 0.000 1.328 33 A HN 1.425 nan 8.150 nan 0.000 0.424 34 V N 2.782 122.660 119.914 -0.061 0.000 2.459 34 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 34 V C -2.050 174.016 176.094 -0.047 0.000 1.029 34 V CA -1.332 60.932 62.300 -0.060 0.000 0.874 34 V CB 1.584 33.368 31.823 -0.065 0.000 0.985 34 V HN 0.882 nan 8.190 nan 0.000 0.438 35 P HA 0.356 nan 4.420 nan 0.000 0.279 35 P C -0.819 176.458 177.300 -0.038 0.000 1.276 35 P CA -0.477 62.604 63.100 -0.031 0.000 0.801 35 P CB 1.642 33.334 31.700 -0.014 0.000 1.127 36 S N -0.784 114.890 115.700 -0.044 0.000 2.614 36 S HA 0.608 5.078 4.470 -0.000 0.000 0.275 36 S C -0.205 174.367 174.600 -0.046 0.000 1.161 36 S CA -0.625 57.551 58.200 -0.040 0.000 0.969 36 S CB 0.432 63.608 63.200 -0.042 0.000 1.059 36 S HN 0.642 nan 8.310 nan 0.000 0.482 37 G N 1.876 110.660 108.800 -0.027 0.000 2.528 37 G HA2 0.612 4.572 3.960 -0.000 0.000 0.289 37 G HA3 0.612 4.572 3.960 -0.000 0.000 0.289 37 G C 0.768 175.672 174.900 0.007 0.000 1.192 37 G CA -0.064 45.026 45.100 -0.017 0.000 0.921 37 G HN 1.018 nan 8.290 nan 0.000 0.512 38 A N -0.181 122.668 122.820 0.048 0.000 1.938 38 A HA 0.327 4.646 4.320 -0.000 0.000 0.207 38 A C 1.695 179.345 177.584 0.111 0.000 1.292 38 A CA 1.145 53.236 52.037 0.089 0.000 0.700 38 A CB -0.238 18.846 19.000 0.140 0.000 0.947 38 A HN 1.192 nan 8.150 nan 0.000 0.476 39 S N 1.984 117.773 115.700 0.148 0.000 3.729 39 S HA 0.394 4.864 4.470 -0.000 0.000 0.235 39 S C 0.055 174.680 174.600 0.041 0.000 1.367 39 S CA 0.049 58.296 58.200 0.077 0.000 0.907 39 S CB -0.754 62.473 63.200 0.046 0.000 1.471 39 S HN 0.558 nan 8.310 nan 0.000 0.476 40 T N 0.304 114.873 114.554 0.025 0.000 2.806 40 T HA 0.636 4.986 4.350 -0.000 0.000 0.290 40 T C 0.722 175.413 174.700 -0.016 0.000 0.966 40 T CA -0.585 61.520 62.100 0.008 0.000 1.060 40 T CB 1.103 69.974 68.868 0.005 0.000 0.927 40 T HN 0.570 nan 8.240 nan 0.000 0.485 41 G N 1.899 110.690 108.800 -0.015 0.000 2.527 41 G HA2 0.401 4.361 3.960 -0.000 0.000 0.248 41 G HA3 0.401 4.361 3.960 -0.000 0.000 0.248 41 G C 1.171 176.015 174.900 -0.093 0.000 1.231 41 G CA -0.911 44.166 45.100 -0.038 0.000 0.838 41 G HN 1.010 nan 8.290 nan 0.000 0.570 42 I N -1.393 119.048 120.570 -0.214 0.000 2.567 42 I HA -0.116 4.053 4.170 -0.000 0.000 0.257 42 I C 1.284 177.133 176.117 -0.447 0.000 1.184 42 I CA 1.056 62.140 61.300 -0.359 0.000 1.451 42 I CB -0.284 37.392 38.000 -0.541 0.000 1.089 42 I HN 0.484 nan 8.210 nan 0.000 0.441 43 Y N 1.707 122.002 120.300 -0.007 0.000 2.466 43 Y HA 0.289 4.839 4.550 -0.000 0.000 0.272 43 Y C 0.982 176.880 175.900 -0.003 0.000 1.169 43 Y CA -0.473 57.627 58.100 -0.001 0.000 1.285 43 Y CB -0.175 38.288 38.460 0.005 0.000 1.078 43 Y HN 0.193 nan 8.280 nan 0.000 0.523 44 E N 1.118 121.362 120.200 0.073 0.000 2.418 44 E HA 0.264 4.613 4.350 -0.000 0.000 0.261 44 E C 0.257 176.880 176.600 0.039 0.000 1.070 44 E CA -0.261 56.171 56.400 0.053 0.000 0.931 44 E CB 0.743 30.458 29.700 0.024 0.000 0.954 44 E HN 0.285 nan 8.360 nan 0.000 0.439 45 A N 2.330 125.169 122.820 0.032 0.000 2.448 45 A HA 0.039 4.359 4.320 -0.000 0.000 0.239 45 A C -0.122 177.468 177.584 0.010 0.000 1.080 45 A CA -0.339 51.710 52.037 0.019 0.000 0.779 45 A CB 0.167 19.174 19.000 0.012 0.000 1.026 45 A HN 0.519 nan 8.150 nan 0.000 0.499 46 L N 0.879 122.105 121.223 0.005 0.000 2.477 46 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 46 L C 0.679 177.553 176.870 0.008 0.000 1.157 46 L CA 0.485 55.327 54.840 0.004 0.000 0.889 46 L CB 0.261 42.321 42.059 0.002 0.000 1.158 46 L HN 0.751 nan 8.230 nan 0.000 0.473 47 E N 5.315 125.518 120.200 0.006 0.000 2.044 47 E HA 0.187 4.537 4.350 -0.000 0.000 0.282 47 E C -0.995 175.612 176.600 0.012 0.000 1.031 47 E CA -0.866 55.536 56.400 0.004 0.000 0.824 47 E CB 0.779 30.477 29.700 -0.003 0.000 1.076 47 E HN 0.624 nan 8.360 nan 0.000 0.395 48 L N 5.737 126.976 121.223 0.026 0.000 2.369 48 L HA 0.227 4.567 4.340 -0.000 0.000 0.279 48 L C -0.604 176.284 176.870 0.029 0.000 1.108 48 L CA 0.198 55.064 54.840 0.043 0.000 0.852 48 L CB 0.194 42.305 42.059 0.087 0.000 1.169 48 L HN 0.486 nan 8.230 nan 0.000 0.452 49 R N 3.209 123.724 120.500 0.025 0.000 2.732 49 R HA 0.277 4.617 4.340 -0.000 0.000 0.278 49 R C 0.337 176.654 176.300 0.028 0.000 0.976 49 R CA -0.722 55.388 56.100 0.016 0.000 0.963 49 R CB 1.283 31.592 30.300 0.015 0.000 1.150 49 R HN 0.593 nan 8.270 nan 0.000 0.478 50 D N 1.169 121.585 120.400 0.026 0.000 2.144 50 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 50 D C -0.044 176.278 176.300 0.037 0.000 0.978 50 D CA 0.764 54.783 54.000 0.032 0.000 0.833 50 D CB 0.133 40.955 40.800 0.036 0.000 0.961 50 D HN 0.454 nan 8.370 nan 0.000 0.470 51 N N 1.241 119.966 118.700 0.041 0.000 2.754 51 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 51 N C -0.835 174.698 175.510 0.038 0.000 1.093 51 N CA 0.701 53.774 53.050 0.039 0.000 0.699 51 N CB -1.306 37.200 38.487 0.032 0.000 1.016 51 N HN 0.296 nan 8.380 nan 0.000 0.552 52 D N 0.863 121.290 120.400 0.045 0.000 2.456 52 D HA 0.194 4.834 4.640 -0.000 0.000 0.219 52 D C 1.062 177.385 176.300 0.038 0.000 1.126 52 D CA -0.324 53.698 54.000 0.037 0.000 0.890 52 D CB 0.496 41.318 40.800 0.037 0.000 1.025 52 D HN 0.108 nan 8.370 nan 0.000 0.511 53 K N 1.010 121.428 120.400 0.030 0.000 2.362 53 K HA -0.147 4.173 4.320 -0.000 0.000 0.202 53 K C 1.679 178.290 176.600 0.017 0.000 1.045 53 K CA 1.572 57.876 56.287 0.028 0.000 0.936 53 K CB 0.007 32.521 32.500 0.023 0.000 0.747 53 K HN 0.504 nan 8.250 nan 0.000 0.467 54 T N -1.906 112.651 114.554 0.006 0.000 3.067 54 T HA -0.013 4.337 4.350 -0.000 0.000 0.257 54 T C 0.859 175.531 174.700 -0.047 0.000 1.105 54 T CA -0.032 62.059 62.100 -0.015 0.000 1.104 54 T CB 0.142 69.000 68.868 -0.017 0.000 0.925 54 T HN 0.014 nan 8.240 nan 0.000 0.498 55 R N -0.000 120.479 120.500 -0.035 0.000 2.310 55 R HA 0.383 4.723 4.340 -0.000 0.000 0.324 55 R C -0.888 175.420 176.300 0.013 0.000 0.955 55 R CA -0.857 55.178 56.100 -0.108 0.000 0.830 55 R CB 0.123 30.398 30.300 -0.042 0.000 1.154 55 R HN 0.392 nan 8.270 nan 0.000 0.458 56 Y N 4.270 124.598 120.300 0.046 0.000 3.721 56 Y HA -0.316 4.234 4.550 -0.000 0.000 0.218 56 Y C 0.264 176.189 175.900 0.041 0.000 1.188 56 Y CA 0.421 58.555 58.100 0.056 0.000 1.607 56 Y CB -0.817 37.674 38.460 0.053 0.000 1.496 56 Y HN 0.702 nan 8.280 nan 0.000 0.626 57 M N -1.003 118.670 119.600 0.122 0.000 2.253 57 M HA -0.288 4.192 4.480 -0.000 0.000 0.199 57 M C 1.319 177.674 176.300 0.092 0.000 0.342 57 M CA 1.795 57.148 55.300 0.089 0.000 0.417 57 M CB -1.962 30.689 32.600 0.086 0.000 1.338 57 M HN 1.313 nan 8.290 nan 0.000 0.920 58 G N -0.544 108.315 108.800 0.098 0.000 2.184 58 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.264 58 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.264 58 G C 0.808 175.758 174.900 0.083 0.000 0.975 58 G CA 0.742 45.891 45.100 0.081 0.000 0.642 58 G HN 0.561 nan 8.290 nan 0.000 0.536 59 K N 0.770 121.237 120.400 0.113 0.000 2.417 59 K HA 0.327 4.647 4.320 -0.000 0.000 0.196 59 K C 1.671 178.269 176.600 -0.003 0.000 1.023 59 K CA 0.151 56.471 56.287 0.054 0.000 1.122 59 K CB 0.470 32.997 32.500 0.045 0.000 0.850 59 K HN 0.419 nan 8.250 nan 0.000 0.521 60 G N 0.914 109.757 108.800 0.073 0.000 2.614 60 G HA2 0.145 4.105 3.960 -0.000 0.000 0.239 60 G HA3 0.145 4.105 3.960 -0.000 0.000 0.239 60 G C 0.523 175.392 174.900 -0.051 0.000 1.240 60 G CA -0.342 44.761 45.100 0.005 0.000 0.842 60 G HN 0.123 nan 8.290 nan 0.000 0.584 61 V N -1.064 118.788 119.914 -0.104 0.000 2.909 61 V HA 0.246 4.366 4.120 -0.000 0.000 0.362 61 V C 1.572 177.620 176.094 -0.076 0.000 1.356 61 V CA 0.464 62.715 62.300 -0.082 0.000 1.195 61 V CB -0.186 31.570 31.823 -0.110 0.000 1.256 61 V HN 0.816 nan 8.190 nan 0.000 0.567 62 S N 0.347 116.014 115.700 -0.056 0.000 2.399 62 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 62 S C 1.742 176.290 174.600 -0.087 0.000 1.022 62 S CA 1.371 59.536 58.200 -0.060 0.000 0.983 62 S CB -0.399 62.786 63.200 -0.025 0.000 0.803 62 S HN 0.689 nan 8.310 nan 0.000 0.480 63 K N 1.576 121.929 120.400 -0.078 0.000 2.057 63 K HA 0.099 4.419 4.320 -0.000 0.000 0.206 63 K C 2.606 179.097 176.600 -0.181 0.000 1.050 63 K CA 1.177 57.374 56.287 -0.149 0.000 0.935 63 K CB -0.538 31.928 32.500 -0.056 0.000 0.715 63 K HN 0.484 nan 8.250 nan 0.000 0.439 64 A N 1.087 123.903 122.820 -0.006 0.000 1.902 64 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 64 A C 2.371 179.945 177.584 -0.017 0.000 1.181 64 A CA 1.328 53.417 52.037 0.087 0.000 0.623 64 A CB -0.682 18.349 19.000 0.052 0.000 0.818 64 A HN 0.066 nan 8.150 nan 0.000 0.443 65 V N 0.131 119.999 119.914 -0.077 0.000 2.392 65 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 65 V C 2.529 178.552 176.094 -0.119 0.000 1.059 65 V CA 2.390 64.625 62.300 -0.108 0.000 1.051 65 V CB -0.668 31.081 31.823 -0.124 0.000 0.658 65 V HN 0.789 nan 8.190 nan 0.000 0.455 66 E N -0.942 119.167 120.200 -0.151 0.000 2.106 66 E HA -0.235 4.114 4.350 -0.000 0.000 0.192 66 E C 2.232 178.723 176.600 -0.182 0.000 0.984 66 E CA 1.005 57.304 56.400 -0.169 0.000 0.806 66 E CB -0.083 29.491 29.700 -0.210 0.000 0.750 66 E HN 0.683 nan 8.360 nan 0.000 0.458 67 H N 0.248 119.247 119.070 -0.118 0.000 2.422 67 H HA -0.122 4.434 4.556 -0.000 0.000 0.298 67 H C 2.211 177.330 175.328 -0.349 0.000 1.098 67 H CA 1.365 57.270 56.048 -0.239 0.000 1.315 67 H CB -0.078 29.538 29.762 -0.243 0.000 1.382 67 H HN 0.300 nan 8.280 nan 0.000 0.523 68 I N 0.635 121.127 120.570 -0.130 0.000 2.193 68 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 68 I C 2.170 178.230 176.117 -0.096 0.000 1.084 68 I CA 0.787 62.000 61.300 -0.145 0.000 1.365 68 I CB -0.124 37.813 38.000 -0.105 0.000 1.064 68 I HN 0.123 nan 8.210 nan 0.000 0.410 69 N N 1.148 119.808 118.700 -0.067 0.000 2.120 69 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 69 N C 1.670 177.173 175.510 -0.012 0.000 1.024 69 N CA 1.369 54.415 53.050 -0.007 0.000 0.852 69 N CB -0.182 38.319 38.487 0.023 0.000 1.003 69 N HN 0.382 nan 8.380 nan 0.000 0.424 70 K N -0.677 119.699 120.400 -0.039 0.000 2.314 70 K HA 0.140 4.459 4.320 -0.000 0.000 0.198 70 K C 1.027 177.609 176.600 -0.029 0.000 1.045 70 K CA 0.768 57.039 56.287 -0.026 0.000 0.988 70 K CB 0.522 33.008 32.500 -0.025 0.000 0.783 70 K HN 0.136 nan 8.250 nan 0.000 0.484 71 T N 0.296 114.803 114.554 -0.077 0.000 3.221 71 T HA 0.190 4.540 4.350 -0.000 0.000 0.250 71 T C 1.847 176.471 174.700 -0.127 0.000 0.988 71 T CA -0.120 61.926 62.100 -0.090 0.000 1.163 71 T CB 0.071 68.865 68.868 -0.125 0.000 1.098 71 T HN -0.058 nan 8.240 nan 0.000 0.422 72 I N 2.144 122.564 120.570 -0.250 0.000 2.202 72 I HA -0.116 4.054 4.170 -0.000 0.000 0.242 72 I C 2.977 179.055 176.117 -0.065 0.000 1.091 72 I CA 1.266 62.460 61.300 -0.178 0.000 1.368 72 I CB -0.479 37.374 38.000 -0.244 0.000 1.058 72 I HN 0.233 nan 8.210 nan 0.000 0.410 73 A N 1.903 124.692 122.820 -0.051 0.000 1.851 73 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 73 A C 0.233 177.822 177.584 0.009 0.000 1.195 73 A CA 1.991 54.027 52.037 -0.001 0.000 0.622 73 A CB -2.156 16.858 19.000 0.023 0.000 0.831 73 A HN 0.287 nan 8.150 nan 0.000 0.444 74 P HA -0.209 nan 4.420 nan 0.000 0.216 74 P C 1.593 178.901 177.300 0.014 0.000 1.153 74 P CA 2.208 65.314 63.100 0.010 0.000 0.858 74 P CB -0.218 31.486 31.700 0.007 0.000 0.789 75 A N 0.173 123.000 122.820 0.013 0.000 1.877 75 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 75 A C 2.503 180.101 177.584 0.023 0.000 1.186 75 A CA 1.392 53.443 52.037 0.023 0.000 0.620 75 A CB -1.552 17.469 19.000 0.034 0.000 0.822 75 A HN 0.126 nan 8.150 nan 0.000 0.443 76 L N -0.518 120.717 121.223 0.020 0.000 2.093 76 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 76 L C 2.466 179.352 176.870 0.026 0.000 1.085 76 L CA 0.828 55.682 54.840 0.023 0.000 0.755 76 L CB -0.458 41.614 42.059 0.021 0.000 0.904 76 L HN 0.247 nan 8.230 nan 0.000 0.435 77 V N -1.044 118.887 119.914 0.028 0.000 2.427 77 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 77 V C 2.536 178.644 176.094 0.022 0.000 1.051 77 V CA 1.774 64.091 62.300 0.030 0.000 1.048 77 V CB -0.102 31.740 31.823 0.031 0.000 0.666 77 V HN 0.364 nan 8.190 nan 0.000 0.456 78 S N -0.164 115.548 115.700 0.019 0.000 2.356 78 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 78 S C 1.938 176.548 174.600 0.016 0.000 1.032 78 S CA 1.065 59.275 58.200 0.016 0.000 1.005 78 S CB -0.270 62.940 63.200 0.016 0.000 0.867 78 S HN 0.478 nan 8.310 nan 0.000 0.449 79 K N 1.336 121.746 120.400 0.018 0.000 2.442 79 K HA 0.022 4.341 4.320 -0.000 0.000 0.198 79 K C 0.209 176.818 176.600 0.015 0.000 1.044 79 K CA 0.399 56.696 56.287 0.016 0.000 0.948 79 K CB -0.328 32.182 32.500 0.018 0.000 0.762 79 K HN 0.395 nan 8.250 nan 0.000 0.472 80 K N 0.781 121.191 120.400 0.017 0.000 3.156 80 K HA -0.179 4.141 4.320 -0.000 0.000 0.266 80 K C -0.398 176.211 176.600 0.014 0.000 0.966 80 K CA 0.188 56.485 56.287 0.016 0.000 0.719 80 K CB -1.713 30.795 32.500 0.013 0.000 1.333 80 K HN 0.170 nan 8.250 nan 0.000 0.468 81 L N 0.526 121.758 121.223 0.015 0.000 2.395 81 L HA 0.145 4.485 4.340 -0.000 0.000 0.269 81 L C 0.780 177.655 176.870 0.009 0.000 1.133 81 L CA -0.622 54.225 54.840 0.011 0.000 0.812 81 L CB 0.693 42.759 42.059 0.012 0.000 1.125 81 L HN 0.182 nan 8.230 nan 0.000 0.452 82 N N 0.123 118.825 118.700 0.004 0.000 2.514 82 N HA 0.113 4.853 4.740 -0.000 0.000 0.277 82 N C 0.871 176.375 175.510 -0.011 0.000 1.126 82 N CA -0.451 52.597 53.050 -0.003 0.000 0.978 82 N CB 1.537 40.021 38.487 -0.005 0.000 1.106 82 N HN 0.405 nan 8.380 nan 0.000 0.461 83 V N 0.523 120.419 119.914 -0.031 0.000 2.688 83 V HA -0.191 3.928 4.120 -0.000 0.000 0.256 83 V C 1.789 177.862 176.094 -0.035 0.000 1.084 83 V CA 2.071 64.339 62.300 -0.054 0.000 1.103 83 V CB -1.777 29.970 31.823 -0.128 0.000 0.688 83 V HN 0.866 nan 8.190 nan 0.000 0.480 84 T N -1.703 112.835 114.554 -0.027 0.000 3.118 84 T HA 0.031 4.381 4.350 -0.000 0.000 0.260 84 T C 0.850 175.589 174.700 0.065 0.000 1.139 84 T CA 0.699 62.818 62.100 0.032 0.000 1.085 84 T CB -0.592 68.283 68.868 0.011 0.000 0.934 84 T HN 0.696 nan 8.240 nan 0.000 0.518 85 E N 1.253 121.471 120.200 0.029 0.000 2.201 85 E HA 0.183 4.533 4.350 -0.000 0.000 0.272 85 E C 1.012 177.624 176.600 0.019 0.000 1.228 85 E CA -0.408 56.005 56.400 0.022 0.000 1.305 85 E CB 0.583 30.289 29.700 0.011 0.000 1.381 85 E HN 0.320 nan 8.360 nan 0.000 0.475 86 Q N 1.624 121.441 119.800 0.028 0.000 2.045 86 Q HA -0.280 4.060 4.340 -0.000 0.000 0.206 86 Q C 1.825 177.827 176.000 0.002 0.000 0.991 86 Q CA 1.972 57.785 55.803 0.016 0.000 0.851 86 Q CB 0.087 28.829 28.738 0.007 0.000 0.911 86 Q HN 0.509 nan 8.270 nan 0.000 0.418 87 E N -0.472 119.726 120.200 -0.004 0.000 2.077 87 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 87 E C 1.805 178.403 176.600 -0.003 0.000 0.989 87 E CA 1.250 57.645 56.400 -0.008 0.000 0.800 87 E CB 0.015 29.707 29.700 -0.012 0.000 0.746 87 E HN 0.286 nan 8.360 nan 0.000 0.452 88 K N 0.098 120.498 120.400 0.000 0.000 2.057 88 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 88 K C 2.234 178.838 176.600 0.006 0.000 1.049 88 K CA 1.316 57.604 56.287 0.002 0.000 0.931 88 K CB -0.123 32.379 32.500 0.004 0.000 0.714 88 K HN 0.240 nan 8.250 nan 0.000 0.440 89 I N 1.384 121.959 120.570 0.007 0.000 2.202 89 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 89 I C 1.792 177.916 176.117 0.012 0.000 1.091 89 I CA 1.184 62.490 61.300 0.011 0.000 1.368 89 I CB -0.266 37.738 38.000 0.008 0.000 1.058 89 I HN 0.111 nan 8.210 nan 0.000 0.410 90 D N 1.076 121.479 120.400 0.006 0.000 2.117 90 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 90 D C 2.185 178.489 176.300 0.008 0.000 0.987 90 D CA 1.202 55.205 54.000 0.004 0.000 0.829 90 D CB -0.138 40.659 40.800 -0.005 0.000 0.961 90 D HN 0.301 nan 8.370 nan 0.000 0.460 91 K N 0.359 120.761 120.400 0.003 0.000 2.097 91 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 91 K C 2.262 178.867 176.600 0.008 0.000 1.050 91 K CA 0.232 56.519 56.287 0.000 0.000 0.938 91 K CB -0.129 32.369 32.500 -0.004 0.000 0.718 91 K HN 0.147 nan 8.250 nan 0.000 0.442 92 L N 0.903 122.136 121.223 0.017 0.000 2.017 92 L HA -0.210 4.129 4.340 -0.000 0.000 0.208 92 L C 2.384 179.286 176.870 0.053 0.000 1.073 92 L CA 1.393 56.251 54.840 0.029 0.000 0.745 92 L CB -0.104 41.973 42.059 0.031 0.000 0.894 92 L HN 0.287 nan 8.230 nan 0.000 0.432 93 M N -0.775 118.865 119.600 0.066 0.000 2.159 93 M HA -0.238 4.241 4.480 -0.000 0.000 0.263 93 M C 2.163 178.520 176.300 0.095 0.000 1.063 93 M CA 1.674 57.049 55.300 0.125 0.000 1.110 93 M CB -0.297 32.368 32.600 0.109 0.000 1.374 93 M HN 0.293 nan 8.290 nan 0.000 0.411 94 I N -0.128 120.461 120.570 0.032 0.000 2.315 94 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 94 I C 2.098 178.187 176.117 -0.048 0.000 1.117 94 I CA 1.316 62.607 61.300 -0.014 0.000 1.404 94 I CB -0.310 37.681 38.000 -0.016 0.000 1.071 94 I HN 0.330 nan 8.210 nan 0.000 0.419 95 E N 0.524 120.709 120.200 -0.025 0.000 2.072 95 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 95 E C 2.329 178.893 176.600 -0.059 0.000 0.985 95 E CA 1.166 57.543 56.400 -0.038 0.000 0.801 95 E CB -0.032 29.660 29.700 -0.015 0.000 0.750 95 E HN 0.420 nan 8.360 nan 0.000 0.452 96 M N 0.818 120.408 119.600 -0.017 0.000 2.117 96 M HA -0.185 4.295 4.480 -0.000 0.000 0.262 96 M C 2.202 178.305 176.300 -0.328 0.000 1.065 96 M CA 1.284 56.578 55.300 -0.010 0.000 1.114 96 M CB -0.223 32.527 32.600 0.250 0.000 1.361 96 M HN 0.136 nan 8.290 nan 0.000 0.408 97 D N -0.327 119.762 120.400 -0.519 0.000 2.097 97 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 97 D C 1.505 177.535 176.300 -0.451 0.000 0.984 97 D CA 1.745 55.217 54.000 -0.880 0.000 0.826 97 D CB 0.074 40.519 40.800 -0.592 0.000 0.973 97 D HN 0.487 nan 8.370 nan 0.000 0.460 98 G N 0.675 109.320 108.800 -0.258 0.000 2.175 98 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.265 98 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.265 98 G C 0.570 175.388 174.900 -0.138 0.000 0.979 98 G CA 1.334 46.334 45.100 -0.166 0.000 0.663 98 G HN 0.721 nan 8.290 nan 0.000 0.533 99 T N -3.119 111.344 114.554 -0.152 0.000 2.940 99 T HA 0.698 5.048 4.350 -0.000 0.000 0.288 99 T C 0.922 175.576 174.700 -0.078 0.000 1.033 99 T CA 0.405 62.441 62.100 -0.107 0.000 1.033 99 T CB 2.374 71.173 68.868 -0.114 0.000 1.079 99 T HN 0.093 nan 8.240 nan 0.000 0.496 100 E N 1.615 121.784 120.200 -0.052 0.000 2.051 100 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 100 E C 1.118 177.702 176.600 -0.026 0.000 0.991 100 E CA 1.846 58.225 56.400 -0.034 0.000 0.799 100 E CB -0.398 29.291 29.700 -0.019 0.000 0.748 100 E HN 0.804 nan 8.360 nan 0.000 0.449 101 N N -0.162 118.523 118.700 -0.024 0.000 2.279 101 N HA 0.168 4.908 4.740 -0.000 0.000 0.226 101 N C -0.882 174.612 175.510 -0.026 0.000 1.126 101 N CA 0.003 53.045 53.050 -0.013 0.000 0.846 101 N CB 0.398 38.888 38.487 0.005 0.000 1.050 101 N HN 0.032 nan 8.380 nan 0.000 0.502 102 K N -0.401 119.968 120.400 -0.053 0.000 3.096 102 K HA -0.176 4.144 4.320 -0.000 0.000 0.266 102 K C 0.387 176.948 176.600 -0.065 0.000 1.043 102 K CA 0.685 56.931 56.287 -0.067 0.000 0.758 102 K CB -1.982 30.502 32.500 -0.025 0.000 1.260 102 K HN 0.406 nan 8.250 nan 0.000 0.481 103 S N -0.732 114.921 115.700 -0.077 0.000 2.562 103 S HA -0.071 4.399 4.470 -0.000 0.000 0.221 103 S C 1.597 176.144 174.600 -0.090 0.000 0.975 103 S CA 0.764 58.928 58.200 -0.059 0.000 0.918 103 S CB 0.328 63.504 63.200 -0.041 0.000 0.772 103 S HN 0.495 nan 8.310 nan 0.000 0.531 104 K N 1.126 121.415 120.400 -0.186 0.000 2.063 104 K HA 0.202 4.522 4.320 -0.000 0.000 0.204 104 K C 1.506 177.933 176.600 -0.288 0.000 1.039 104 K CA 0.886 57.018 56.287 -0.258 0.000 0.957 104 K CB -0.235 32.001 32.500 -0.439 0.000 0.764 104 K HN 0.434 nan 8.250 nan 0.000 0.447 105 F N 0.462 120.193 119.950 -0.365 0.000 2.387 105 F HA 0.211 4.737 4.527 -0.000 0.000 0.294 105 F C 0.873 176.569 175.800 -0.174 0.000 1.093 105 F CA 0.017 57.736 58.000 -0.468 0.000 1.420 105 F CB 0.636 39.499 39.000 -0.228 0.000 1.086 105 F HN 0.329 nan 8.300 nan 0.000 0.531 106 G N 0.294 109.145 108.800 0.085 0.000 3.067 106 G HA2 0.035 3.994 3.960 -0.000 0.000 0.686 106 G HA3 0.035 3.994 3.960 -0.000 0.000 0.686 106 G C 0.299 175.236 174.900 0.063 0.000 1.119 106 G CA -0.610 44.532 45.100 0.069 0.000 0.790 106 G HN 0.322 nan 8.290 nan 0.000 0.605 107 A N 2.131 124.969 122.820 0.030 0.000 1.972 107 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 107 A C 2.342 179.932 177.584 0.010 0.000 1.169 107 A CA 2.296 54.344 52.037 0.018 0.000 0.635 107 A CB -0.428 18.576 19.000 0.006 0.000 0.810 107 A HN 1.572 nan 8.150 nan 0.000 0.446 108 N N 1.089 119.793 118.700 0.007 0.000 2.244 108 N HA -0.042 4.697 4.740 -0.000 0.000 0.183 108 N C 1.583 177.085 175.510 -0.012 0.000 1.016 108 N CA 1.708 54.751 53.050 -0.012 0.000 0.866 108 N CB -0.839 37.637 38.487 -0.019 0.000 0.980 108 N HN 0.391 nan 8.380 nan 0.000 0.430 109 A N 1.484 124.315 122.820 0.018 0.000 1.873 109 A HA 0.091 4.410 4.320 -0.000 0.000 0.215 109 A C 2.400 179.982 177.584 -0.002 0.000 1.186 109 A CA 0.909 52.952 52.037 0.010 0.000 0.616 109 A CB -0.691 18.341 19.000 0.054 0.000 0.823 109 A HN 0.245 nan 8.150 nan 0.000 0.442 110 I N -0.730 119.860 120.570 0.035 0.000 2.315 110 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 110 I C 2.402 178.509 176.117 -0.016 0.000 1.117 110 I CA 0.968 62.287 61.300 0.032 0.000 1.404 110 I CB -0.187 37.858 38.000 0.074 0.000 1.071 110 I HN 0.381 nan 8.210 nan 0.000 0.419 111 L N 1.107 122.310 121.223 -0.033 0.000 2.056 111 L HA -0.020 4.319 4.340 -0.000 0.000 0.207 111 L C 2.348 179.155 176.870 -0.105 0.000 1.078 111 L CA 2.064 56.859 54.840 -0.075 0.000 0.749 111 L CB -1.173 40.841 42.059 -0.075 0.000 0.901 111 L HN 0.162 nan 8.230 nan 0.000 0.433 112 G N -0.855 107.895 108.800 -0.083 0.000 2.446 112 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 112 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 112 G C 1.507 176.356 174.900 -0.084 0.000 1.168 112 G CA 1.240 46.286 45.100 -0.090 0.000 0.771 112 G HN 0.336 nan 8.290 nan 0.000 0.551 113 V N 0.593 120.468 119.914 -0.065 0.000 2.358 113 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 113 V C 3.002 179.061 176.094 -0.058 0.000 1.047 113 V CA 2.116 64.386 62.300 -0.049 0.000 1.035 113 V CB -0.341 31.461 31.823 -0.035 0.000 0.658 113 V HN 0.484 nan 8.190 nan 0.000 0.452 114 S N -0.318 115.340 115.700 -0.070 0.000 2.383 114 S HA -0.175 4.294 4.470 -0.000 0.000 0.229 114 S C 1.912 176.432 174.600 -0.134 0.000 1.030 114 S CA 1.770 59.921 58.200 -0.082 0.000 1.002 114 S CB -0.302 62.847 63.200 -0.084 0.000 0.829 114 S HN 0.516 nan 8.310 nan 0.000 0.467 115 L N 0.736 121.831 121.223 -0.213 0.000 2.072 115 L HA 0.022 4.362 4.340 -0.000 0.000 0.205 115 L C 2.970 179.757 176.870 -0.138 0.000 1.079 115 L CA 1.114 55.747 54.840 -0.346 0.000 0.752 115 L CB -0.715 41.070 42.059 -0.457 0.000 0.906 115 L HN 0.389 nan 8.230 nan 0.000 0.436 116 A N -0.244 122.529 122.820 -0.078 0.000 1.933 116 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 116 A C 2.350 179.916 177.584 -0.031 0.000 1.175 116 A CA 1.641 53.671 52.037 -0.011 0.000 0.628 116 A CB -0.796 18.202 19.000 -0.004 0.000 0.814 116 A HN 0.182 nan 8.150 nan 0.000 0.444 117 V N -1.121 118.767 119.914 -0.045 0.000 2.343 117 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 117 V C 2.673 178.735 176.094 -0.053 0.000 1.051 117 V CA 1.979 64.245 62.300 -0.057 0.000 1.036 117 V CB -1.035 30.771 31.823 -0.028 0.000 0.654 117 V HN 0.790 nan 8.190 nan 0.000 0.451 118 C N 0.299 119.611 119.300 0.020 0.000 2.429 118 C HA -0.173 4.287 4.460 -0.000 0.000 0.277 118 C C 2.852 177.920 174.990 0.131 0.000 1.262 118 C CA 1.414 60.524 59.018 0.153 0.000 1.733 118 C CB -1.035 26.860 27.740 0.258 0.000 2.010 118 C HN 0.570 nan 8.230 nan 0.000 0.483 119 K N 0.764 121.206 120.400 0.070 0.000 2.057 119 K HA -0.074 4.245 4.320 -0.000 0.000 0.207 119 K C 2.308 178.664 176.600 -0.407 0.000 1.049 119 K CA 1.527 57.812 56.287 -0.003 0.000 0.931 119 K CB -0.419 32.165 32.500 0.140 0.000 0.714 119 K HN 0.546 nan 8.250 nan 0.000 0.440 120 A N 1.627 123.988 122.820 -0.765 0.000 1.902 120 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 120 A C 2.498 179.615 177.584 -0.779 0.000 1.181 120 A CA 1.965 53.091 52.037 -1.517 0.000 0.623 120 A CB -1.341 17.045 19.000 -1.024 0.000 0.818 120 A HN 0.428 nan 8.150 nan 0.000 0.443 121 G N -0.501 108.017 108.800 -0.470 0.000 2.442 121 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.219 121 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.219 121 G C 1.733 176.155 174.900 -0.796 0.000 1.141 121 G CA 1.588 46.406 45.100 -0.471 0.000 0.763 121 G HN 0.825 nan 8.290 nan 0.000 0.554 122 A N 0.098 122.437 122.820 -0.801 0.000 1.877 122 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 122 A C 2.614 179.998 177.584 -0.334 0.000 1.186 122 A CA 1.911 53.586 52.037 -0.604 0.000 0.620 122 A CB -0.684 18.171 19.000 -0.242 0.000 0.822 122 A HN 0.274 nan 8.150 nan 0.000 0.443 123 V N 0.006 119.765 119.914 -0.259 0.000 2.427 123 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 123 V C 2.564 178.595 176.094 -0.105 0.000 1.051 123 V CA 2.359 64.603 62.300 -0.094 0.000 1.048 123 V CB -0.712 31.179 31.823 0.113 0.000 0.666 123 V HN 0.732 nan 8.190 nan 0.000 0.456 124 E N 0.869 120.957 120.200 -0.187 0.000 2.118 124 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 124 E C 2.012 178.541 176.600 -0.117 0.000 0.992 124 E CA 1.515 57.837 56.400 -0.131 0.000 0.804 124 E CB -0.191 29.411 29.700 -0.164 0.000 0.741 124 E HN 0.552 nan 8.360 nan 0.000 0.458 125 K N -1.047 119.249 120.400 -0.174 0.000 2.487 125 K HA 0.161 4.480 4.320 -0.000 0.000 0.192 125 K C 0.683 177.229 176.600 -0.091 0.000 1.027 125 K CA 0.451 56.663 56.287 -0.125 0.000 1.054 125 K CB 0.286 32.696 32.500 -0.150 0.000 0.824 125 K HN 0.252 nan 8.250 nan 0.000 0.510 126 G N 1.760 110.506 108.800 -0.090 0.000 2.314 126 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.292 126 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.292 126 G C -0.372 174.485 174.900 -0.071 0.000 1.059 126 G CA 0.327 45.391 45.100 -0.060 0.000 0.982 126 G HN 0.207 nan 8.290 nan 0.000 0.505 127 V N -0.241 119.610 119.914 -0.105 0.000 3.049 127 V HA 0.755 4.875 4.120 -0.000 0.000 0.309 127 V C -2.187 173.796 176.094 -0.184 0.000 1.148 127 V CA -1.856 60.368 62.300 -0.127 0.000 0.990 127 V CB 2.479 34.238 31.823 -0.107 0.000 1.039 127 V HN 0.128 nan 8.190 nan 0.000 0.430 128 P HA 0.134 nan 4.420 nan 0.000 0.269 128 P C 0.556 177.606 177.300 -0.416 0.000 1.215 128 P CA -0.094 62.756 63.100 -0.416 0.000 0.780 128 P CB 0.565 31.780 31.700 -0.808 0.000 0.898 129 L N 3.856 124.927 121.223 -0.253 0.000 2.013 129 L HA -0.245 4.094 4.340 -0.000 0.000 0.212 129 L C 2.174 178.959 176.870 -0.141 0.000 1.073 129 L CA 2.030 56.795 54.840 -0.125 0.000 0.753 129 L CB -1.689 40.328 42.059 -0.070 0.000 0.890 129 L HN 0.513 nan 8.230 nan 0.000 0.432 130 Y N -1.217 119.035 120.300 -0.080 0.000 2.256 130 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 130 Y C 2.567 178.436 175.900 -0.052 0.000 1.155 130 Y CA 1.372 59.411 58.100 -0.100 0.000 1.203 130 Y CB -1.115 37.282 38.460 -0.106 0.000 0.980 130 Y HN 0.159 nan 8.280 nan 0.000 0.530 131 R N 0.198 120.482 120.500 -0.360 0.000 2.090 131 R HA -0.154 4.186 4.340 -0.000 0.000 0.228 131 R C 2.112 178.393 176.300 -0.031 0.000 1.110 131 R CA 1.895 57.913 56.100 -0.136 0.000 0.973 131 R CB -1.274 28.883 30.300 -0.239 0.000 0.869 131 R HN 0.593 nan 8.270 nan 0.000 0.440 132 H N 0.183 119.161 119.070 -0.152 0.000 2.357 132 H HA 0.007 4.563 4.556 -0.000 0.000 0.301 132 H C 1.677 176.973 175.328 -0.053 0.000 1.082 132 H CA 2.096 58.087 56.048 -0.094 0.000 1.342 132 H CB -0.079 29.622 29.762 -0.101 0.000 1.389 132 H HN 0.131 nan 8.280 nan 0.000 0.511 133 I N 0.647 121.141 120.570 -0.128 0.000 2.226 133 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 133 I C 2.657 178.708 176.117 -0.110 0.000 1.100 133 I CA 1.286 62.490 61.300 -0.159 0.000 1.374 133 I CB -1.644 36.293 38.000 -0.105 0.000 1.057 133 I HN 0.408 nan 8.210 nan 0.000 0.413 134 A N 0.900 123.691 122.820 -0.047 0.000 1.883 134 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 134 A C 1.989 179.549 177.584 -0.039 0.000 1.186 134 A CA 2.107 54.132 52.037 -0.020 0.000 0.624 134 A CB -0.650 18.367 19.000 0.027 0.000 0.822 134 A HN 0.393 nan 8.150 nan 0.000 0.444 135 D N 0.104 120.475 120.400 -0.048 0.000 2.117 135 D HA -0.117 4.522 4.640 -0.000 0.000 0.197 135 D C 1.934 178.188 176.300 -0.076 0.000 0.987 135 D CA 1.107 55.081 54.000 -0.043 0.000 0.829 135 D CB -0.409 40.387 40.800 -0.008 0.000 0.961 135 D HN 0.471 nan 8.370 nan 0.000 0.460 136 L N 0.490 121.622 121.223 -0.151 0.000 2.131 136 L HA -0.093 4.246 4.340 -0.000 0.000 0.210 136 L C 2.226 179.046 176.870 -0.084 0.000 1.092 136 L CA 0.962 55.715 54.840 -0.145 0.000 0.759 136 L CB -0.262 41.657 42.059 -0.233 0.000 0.903 136 L HN -0.026 nan 8.230 nan 0.000 0.435 137 A N -0.732 122.046 122.820 -0.070 0.000 2.275 137 A HA 0.342 4.661 4.320 -0.000 0.000 0.212 137 A C 1.654 179.218 177.584 -0.034 0.000 1.201 137 A CA 0.604 52.614 52.037 -0.044 0.000 0.843 137 A CB -0.172 18.807 19.000 -0.035 0.000 0.873 137 A HN 0.467 nan 8.150 nan 0.000 0.492 138 G N -0.191 108.589 108.800 -0.033 0.000 2.176 138 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 138 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 138 G C -0.226 174.664 174.900 -0.017 0.000 1.024 138 G CA 0.233 45.319 45.100 -0.023 0.000 0.755 138 G HN 0.653 nan 8.290 nan 0.000 0.507 139 N N -0.020 118.671 118.700 -0.014 0.000 2.438 139 N HA 0.489 5.228 4.740 -0.000 0.000 0.282 139 N C 1.404 176.915 175.510 0.002 0.000 1.037 139 N CA -0.022 53.024 53.050 -0.006 0.000 0.942 139 N CB 1.223 39.707 38.487 -0.005 0.000 1.136 139 N HN 0.271 nan 8.380 nan 0.000 0.481 140 S N 1.639 117.342 115.700 0.004 0.000 2.421 140 S HA 0.029 4.499 4.470 -0.000 0.000 0.224 140 S C 0.574 175.185 174.600 0.018 0.000 1.035 140 S CA 0.368 58.574 58.200 0.010 0.000 0.953 140 S CB 0.106 63.310 63.200 0.007 0.000 0.810 140 S HN 0.544 nan 8.310 nan 0.000 0.497 141 E N 0.097 120.306 120.200 0.015 0.000 2.280 141 E HA 0.669 5.018 4.350 -0.000 0.000 0.261 141 E C -1.517 175.096 176.600 0.021 0.000 1.088 141 E CA -0.711 55.700 56.400 0.019 0.000 0.915 141 E CB 1.899 31.605 29.700 0.011 0.000 1.141 141 E HN 0.089 nan 8.360 nan 0.000 0.433 142 V N 1.946 121.872 119.914 0.019 0.000 2.888 142 V HA 0.487 4.606 4.120 -0.000 0.000 0.309 142 V C -1.388 174.688 176.094 -0.029 0.000 1.114 142 V CA -0.567 61.735 62.300 0.003 0.000 0.940 142 V CB 1.863 33.713 31.823 0.045 0.000 1.021 142 V HN 0.557 nan 8.190 nan 0.000 0.426 143 I N 3.438 123.977 120.570 -0.052 0.000 2.827 143 I HA 0.603 4.773 4.170 -0.000 0.000 0.298 143 I C -1.562 174.521 176.117 -0.058 0.000 1.235 143 I CA -0.710 60.566 61.300 -0.040 0.000 1.021 143 I CB 1.850 39.838 38.000 -0.019 0.000 1.259 143 I HN 0.293 nan 8.210 nan 0.000 0.427 144 L N 5.473 126.699 121.223 0.005 0.000 2.380 144 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 144 L C -2.123 174.812 176.870 0.108 0.000 1.138 144 L CA -1.183 53.681 54.840 0.041 0.000 0.832 144 L CB 0.370 42.556 42.059 0.212 0.000 1.124 144 L HN 0.600 nan 8.230 nan 0.000 0.454 145 P HA 0.186 nan 4.420 nan 0.000 0.282 145 P C -0.615 176.811 177.300 0.210 0.000 1.259 145 P CA -0.540 62.595 63.100 0.058 0.000 0.826 145 P CB 1.593 33.313 31.700 0.033 0.000 1.064 146 V N 3.921 123.830 119.914 -0.009 0.000 2.555 146 V HA 0.184 4.304 4.120 -0.000 0.000 0.286 146 V C -1.622 174.491 176.094 0.033 0.000 1.044 146 V CA -1.314 60.998 62.300 0.020 0.000 1.026 146 V CB 0.509 32.216 31.823 -0.193 0.000 0.981 146 V HN 0.612 nan 8.190 nan 0.000 0.480 147 P HA 0.404 nan 4.420 nan 0.000 0.282 147 P C -1.082 175.906 177.300 -0.521 0.000 1.249 147 P CA -0.598 62.330 63.100 -0.288 0.000 0.806 147 P CB 1.616 32.965 31.700 -0.585 0.000 0.984 148 A N 3.762 126.327 122.820 -0.423 0.000 2.316 148 A HA 0.553 4.873 4.320 -0.000 0.000 0.324 148 A C -0.755 176.686 177.584 -0.239 0.000 1.375 148 A CA -0.585 51.288 52.037 -0.274 0.000 0.882 148 A CB -0.508 18.419 19.000 -0.122 0.000 1.152 148 A HN 0.330 nan 8.150 nan 0.000 0.512 149 F N 1.812 121.749 119.950 -0.021 0.000 2.421 149 F HA 0.221 4.748 4.527 -0.000 0.000 0.358 149 F C 1.112 176.931 175.800 0.032 0.000 1.115 149 F CA -0.295 57.690 58.000 -0.024 0.000 1.160 149 F CB 0.955 39.875 39.000 -0.134 0.000 1.123 149 F HN 0.686 nan 8.300 nan 0.000 0.508 150 N N 3.562 122.409 118.700 0.244 0.000 2.663 150 N HA 0.161 4.901 4.740 -0.000 0.000 0.250 150 N C 0.873 176.509 175.510 0.209 0.000 1.129 150 N CA -0.275 52.906 53.050 0.219 0.000 0.995 150 N CB 0.664 39.291 38.487 0.233 0.000 1.324 150 N HN 0.614 nan 8.380 nan 0.000 0.512 151 V N 1.474 121.523 119.914 0.226 0.000 3.406 151 V HA 0.295 4.415 4.120 -0.000 0.000 0.263 151 V C 0.604 176.831 176.094 0.222 0.000 1.172 151 V CA 0.590 63.037 62.300 0.245 0.000 1.140 151 V CB -0.347 31.662 31.823 0.310 0.000 0.784 151 V HN 0.444 nan 8.190 nan 0.000 0.467 152 I N 1.553 122.250 120.570 0.212 0.000 2.478 152 I HA 0.426 4.596 4.170 -0.000 0.000 0.287 152 I C -0.861 175.381 176.117 0.209 0.000 1.042 152 I CA -0.358 61.021 61.300 0.132 0.000 1.067 152 I CB 1.893 39.831 38.000 -0.104 0.000 1.233 152 I HN 0.214 nan 8.210 nan 0.000 0.431 153 N N 3.720 122.518 118.700 0.164 0.000 2.443 153 N HA 0.729 5.468 4.740 -0.000 0.000 0.295 153 N C -0.136 175.479 175.510 0.175 0.000 1.076 153 N CA -0.505 52.671 53.050 0.210 0.000 0.919 153 N CB 2.509 41.110 38.487 0.190 0.000 1.176 153 N HN 0.731 nan 8.380 nan 0.000 0.487 154 G N -0.257 108.672 108.800 0.214 0.000 3.058 154 G HA2 0.685 4.645 3.960 -0.000 0.000 0.282 154 G HA3 0.685 4.645 3.960 -0.000 0.000 0.282 154 G C 0.141 175.135 174.900 0.156 0.000 1.248 154 G CA -0.113 45.092 45.100 0.175 0.000 0.822 154 G HN 0.788 nan 8.290 nan 0.000 0.579 155 G N -0.289 108.628 108.800 0.195 0.000 2.614 155 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.303 155 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.303 155 G C 1.275 176.330 174.900 0.258 0.000 1.270 155 G CA 0.932 46.224 45.100 0.320 0.000 0.988 155 G HN 1.552 nan 8.290 nan 0.000 0.551 156 S N 0.407 116.268 115.700 0.269 0.000 2.660 156 S HA 0.128 4.598 4.470 -0.000 0.000 0.223 156 S C 1.237 176.034 174.600 0.328 0.000 0.963 156 S CA 1.130 59.492 58.200 0.271 0.000 0.932 156 S CB -0.269 63.087 63.200 0.260 0.000 0.775 156 S HN 0.587 nan 8.310 nan 0.000 0.531 157 H N 0.111 119.254 119.070 0.122 0.000 2.652 157 H HA 0.534 5.090 4.556 -0.000 0.000 0.274 157 H C 0.513 175.883 175.328 0.070 0.000 1.021 157 H CA -0.132 55.966 56.048 0.084 0.000 1.187 157 H CB 0.583 30.395 29.762 0.084 0.000 1.505 157 H HN 0.341 nan 8.280 nan 0.000 0.530 158 A N 0.065 122.994 122.820 0.181 0.000 2.594 158 A HA 0.499 4.819 4.320 -0.000 0.000 0.295 158 A C 0.603 178.219 177.584 0.053 0.000 1.071 158 A CA -0.291 51.809 52.037 0.105 0.000 0.685 158 A CB 0.910 19.970 19.000 0.100 0.000 1.285 158 A HN 0.221 nan 8.150 nan 0.000 0.405 159 G N 1.086 109.905 108.800 0.032 0.000 3.414 159 G HA2 0.330 4.290 3.960 -0.000 0.000 0.258 159 G HA3 0.330 4.290 3.960 -0.000 0.000 0.258 159 G C 0.085 174.971 174.900 -0.024 0.000 1.348 159 G CA 0.221 45.323 45.100 0.003 0.000 1.319 159 G HN 0.851 nan 8.290 nan 0.000 0.555 160 N N -1.425 117.253 118.700 -0.035 0.000 2.671 160 N HA 0.328 5.067 4.740 -0.000 0.000 0.303 160 N C 0.848 176.299 175.510 -0.098 0.000 1.277 160 N CA -1.045 51.968 53.050 -0.063 0.000 0.933 160 N CB 1.017 39.465 38.487 -0.065 0.000 1.190 160 N HN -0.089 nan 8.380 nan 0.000 0.600 161 K N -1.006 119.331 120.400 -0.105 0.000 2.167 161 K HA 0.099 4.419 4.320 -0.000 0.000 0.203 161 K C 0.128 176.655 176.600 -0.121 0.000 1.052 161 K CA -0.049 56.163 56.287 -0.125 0.000 0.956 161 K CB -0.277 32.165 32.500 -0.095 0.000 0.735 161 K HN 0.267 nan 8.250 nan 0.000 0.451 162 L N 1.631 122.807 121.223 -0.079 0.000 2.771 162 L HA -0.182 4.158 4.340 -0.000 0.000 0.278 162 L C 1.040 177.939 176.870 0.047 0.000 1.175 162 L CA 0.223 55.056 54.840 -0.012 0.000 0.973 162 L CB 0.303 42.352 42.059 -0.016 0.000 1.286 162 L HN 0.134 nan 8.230 nan 0.000 0.481 163 A N 6.036 128.902 122.820 0.076 0.000 1.872 163 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 163 A C 1.247 179.051 177.584 0.366 0.000 1.187 163 A CA 0.748 52.911 52.037 0.211 0.000 0.614 163 A CB -0.254 18.733 19.000 -0.021 0.000 0.826 163 A HN 0.713 nan 8.150 nan 0.000 0.442 164 M N 0.216 119.987 119.600 0.285 0.000 2.245 164 M HA 0.027 4.507 4.480 -0.000 0.000 0.344 164 M C 1.197 177.646 176.300 0.248 0.000 1.170 164 M CA 0.069 55.535 55.300 0.278 0.000 1.135 164 M CB 0.785 33.455 32.600 0.117 0.000 1.574 164 M HN 0.525 nan 8.290 nan 0.000 0.452 165 Q N 2.094 121.964 119.800 0.117 0.000 2.049 165 Q HA -0.062 4.277 4.340 -0.000 0.000 0.198 165 Q C -0.451 175.593 176.000 0.073 0.000 0.971 165 Q CA 1.271 57.087 55.803 0.022 0.000 0.833 165 Q CB 0.535 29.178 28.738 -0.158 0.000 0.896 165 Q HN 0.676 nan 8.270 nan 0.000 0.434 166 E N -0.599 119.593 120.200 -0.014 0.000 2.275 166 E HA 0.316 4.666 4.350 -0.000 0.000 0.270 166 E C -1.587 174.930 176.600 -0.139 0.000 0.882 166 E CA -0.466 55.974 56.400 0.066 0.000 0.758 166 E CB 1.558 31.302 29.700 0.075 0.000 1.195 166 E HN 0.008 nan 8.360 nan 0.000 0.419 167 F N 2.549 122.518 119.950 0.031 0.000 2.382 167 F HA 0.420 4.946 4.527 -0.000 0.000 0.361 167 F C 0.003 175.822 175.800 0.033 0.000 1.109 167 F CA -0.481 57.518 58.000 -0.002 0.000 1.031 167 F CB 0.880 39.864 39.000 -0.028 0.000 1.234 167 F HN 0.216 nan 8.300 nan 0.000 0.445 168 M N 5.020 124.685 119.600 0.108 0.000 2.508 168 M HA 0.640 5.120 4.480 -0.000 0.000 0.327 168 M C -0.548 175.803 176.300 0.085 0.000 1.160 168 M CA -0.878 54.485 55.300 0.106 0.000 0.980 168 M CB 2.572 35.203 32.600 0.052 0.000 1.693 168 M HN 0.447 nan 8.290 nan 0.000 0.452 169 I N 0.465 121.107 120.570 0.121 0.000 2.433 169 I HA 0.634 4.804 4.170 -0.000 0.000 0.292 169 I C -1.611 174.550 176.117 0.073 0.000 1.001 169 I CA -1.091 60.267 61.300 0.097 0.000 1.119 169 I CB 1.382 39.458 38.000 0.126 0.000 1.289 169 I HN 0.421 nan 8.210 nan 0.000 0.438 170 L N 7.354 128.561 121.223 -0.027 0.000 2.343 170 L HA 0.516 4.856 4.340 -0.000 0.000 0.278 170 L C -2.365 174.444 176.870 -0.102 0.000 0.996 170 L CA -1.404 53.361 54.840 -0.125 0.000 0.831 170 L CB 1.482 43.363 42.059 -0.297 0.000 1.232 170 L HN 0.423 nan 8.230 nan 0.000 0.413 171 P HA 0.059 nan 4.420 nan 0.000 0.226 171 P C 1.244 178.555 177.300 0.018 0.000 1.783 171 P CA -0.135 62.949 63.100 -0.027 0.000 0.980 171 P CB 0.179 31.855 31.700 -0.040 0.000 1.967 172 V N -1.274 118.599 119.914 -0.068 0.000 2.720 172 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 172 V C 1.828 177.973 176.094 0.085 0.000 1.082 172 V CA 2.178 64.443 62.300 -0.059 0.000 1.101 172 V CB -1.528 30.190 31.823 -0.175 0.000 0.693 172 V HN 0.315 nan 8.190 nan 0.000 0.479 173 G N -0.300 108.546 108.800 0.076 0.000 2.985 173 G HA2 0.454 4.414 3.960 -0.000 0.000 0.209 173 G HA3 0.454 4.414 3.960 -0.000 0.000 0.209 173 G C 0.692 175.655 174.900 0.105 0.000 1.165 173 G CA 0.372 45.529 45.100 0.096 0.000 0.776 173 G HN 0.938 nan 8.290 nan 0.000 0.541 174 A N -0.067 122.823 122.820 0.117 0.000 2.425 174 A HA 0.614 4.934 4.320 -0.000 0.000 0.242 174 A C 1.761 179.367 177.584 0.036 0.000 1.077 174 A CA 0.485 52.521 52.037 -0.002 0.000 0.781 174 A CB 0.625 19.533 19.000 -0.154 0.000 1.020 174 A HN 0.680 nan 8.150 nan 0.000 0.494 175 A N 1.632 124.406 122.820 -0.075 0.000 1.970 175 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 175 A C 0.846 178.344 177.584 -0.143 0.000 1.170 175 A CA 1.212 53.230 52.037 -0.032 0.000 0.645 175 A CB -0.492 18.489 19.000 -0.031 0.000 0.816 175 A HN 1.016 nan 8.150 nan 0.000 0.447 176 N N -4.346 114.065 118.700 -0.483 0.000 3.106 176 N HA 0.229 4.969 4.740 -0.000 0.000 0.253 176 N C 0.233 175.086 175.510 -1.096 0.000 1.506 176 N CA -0.502 52.127 53.050 -0.703 0.000 0.876 176 N CB 0.319 38.659 38.487 -0.244 0.000 1.452 176 N HN -0.112 nan 8.380 nan 0.000 0.542 177 F N 1.619 121.058 119.950 -0.852 0.000 2.171 177 F HA -0.030 4.497 4.527 -0.000 0.000 0.300 177 F C 2.679 178.312 175.800 -0.279 0.000 1.090 177 F CA 1.563 59.261 58.000 -0.504 0.000 1.293 177 F CB -0.017 38.906 39.000 -0.129 0.000 1.013 177 F HN 0.528 nan 8.300 nan 0.000 0.486 178 R N 0.072 120.468 120.500 -0.174 0.000 2.096 178 R HA -0.182 4.158 4.340 -0.000 0.000 0.235 178 R C 2.087 178.231 176.300 -0.261 0.000 1.127 178 R CA 1.720 57.722 56.100 -0.164 0.000 0.968 178 R CB -1.170 29.099 30.300 -0.051 0.000 0.861 178 R HN 0.439 nan 8.270 nan 0.000 0.440 179 E N 1.461 121.484 120.200 -0.294 0.000 2.106 179 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 179 E C 2.061 178.449 176.600 -0.354 0.000 0.984 179 E CA 0.955 57.189 56.400 -0.276 0.000 0.806 179 E CB -0.068 29.490 29.700 -0.236 0.000 0.750 179 E HN 0.435 nan 8.360 nan 0.000 0.458 180 A N 1.171 123.717 122.820 -0.458 0.000 1.908 180 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 180 A C 2.178 179.565 177.584 -0.329 0.000 1.181 180 A CA 1.644 53.453 52.037 -0.381 0.000 0.627 180 A CB -0.417 18.326 19.000 -0.428 0.000 0.818 180 A HN 0.293 nan 8.150 nan 0.000 0.445 181 M N -0.929 118.394 119.600 -0.461 0.000 2.132 181 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 181 M C 2.210 178.321 176.300 -0.315 0.000 1.065 181 M CA 1.776 56.872 55.300 -0.340 0.000 1.122 181 M CB -1.207 31.215 32.600 -0.298 0.000 1.365 181 M HN 0.618 nan 8.290 nan 0.000 0.411 182 R N 0.572 120.914 120.500 -0.263 0.000 2.073 182 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 182 R C 2.099 178.253 176.300 -0.244 0.000 1.134 182 R CA 1.480 57.463 56.100 -0.196 0.000 0.952 182 R CB -0.275 29.940 30.300 -0.143 0.000 0.850 182 R HN 0.305 nan 8.270 nan 0.000 0.433 183 I N 0.274 120.609 120.570 -0.392 0.000 2.179 183 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 183 I C 2.506 178.417 176.117 -0.342 0.000 1.088 183 I CA 1.449 62.415 61.300 -0.557 0.000 1.357 183 I CB -0.692 36.876 38.000 -0.721 0.000 1.051 183 I HN 0.447 nan 8.210 nan 0.000 0.409 184 G N 0.565 109.110 108.800 -0.424 0.000 2.446 184 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 184 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 184 G C 1.852 176.337 174.900 -0.692 0.000 1.168 184 G CA 0.932 45.544 45.100 -0.813 0.000 0.771 184 G HN 0.498 nan 8.290 nan 0.000 0.551 185 A N 0.742 123.240 122.820 -0.537 0.000 1.873 185 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 185 A C 2.184 179.730 177.584 -0.064 0.000 1.186 185 A CA 1.904 53.757 52.037 -0.307 0.000 0.616 185 A CB -0.384 18.532 19.000 -0.140 0.000 0.823 185 A HN 0.456 nan 8.150 nan 0.000 0.442 186 E N -0.366 119.846 120.200 0.020 0.000 2.106 186 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 186 E C 1.959 178.632 176.600 0.121 0.000 0.984 186 E CA 1.200 57.690 56.400 0.151 0.000 0.806 186 E CB -0.231 29.598 29.700 0.215 0.000 0.750 186 E HN 0.395 nan 8.360 nan 0.000 0.458 187 V N 0.774 120.732 119.914 0.073 0.000 2.343 187 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 187 V C 2.029 178.160 176.094 0.063 0.000 1.051 187 V CA 1.760 64.108 62.300 0.081 0.000 1.036 187 V CB -0.569 31.296 31.823 0.070 0.000 0.654 187 V HN 0.308 nan 8.190 nan 0.000 0.451 188 Y N 0.764 120.978 120.300 -0.144 0.000 2.128 188 Y HA -0.269 4.281 4.550 -0.000 0.000 0.284 188 Y C 2.756 178.630 175.900 -0.044 0.000 1.154 188 Y CA 2.101 60.124 58.100 -0.128 0.000 1.149 188 Y CB -0.380 37.852 38.460 -0.380 0.000 0.976 188 Y HN 0.361 nan 8.280 nan 0.000 0.505 189 H N -0.447 118.705 119.070 0.137 0.000 2.423 189 H HA -0.108 4.447 4.556 -0.000 0.000 0.297 189 H C 1.945 177.240 175.328 -0.056 0.000 1.075 189 H CA 1.342 57.409 56.048 0.031 0.000 1.342 189 H CB -0.342 29.466 29.762 0.078 0.000 1.395 189 H HN 0.473 nan 8.280 nan 0.000 0.530 190 N N 0.770 119.506 118.700 0.059 0.000 2.188 190 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 190 N C 2.118 177.578 175.510 -0.084 0.000 1.018 190 N CA 0.404 53.451 53.050 -0.004 0.000 0.858 190 N CB -0.181 38.316 38.487 0.016 0.000 0.989 190 N HN 0.180 nan 8.380 nan 0.000 0.426 191 L N 2.345 123.508 121.223 -0.101 0.000 2.079 191 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 191 L C 2.220 178.834 176.870 -0.428 0.000 1.081 191 L CA 1.718 56.456 54.840 -0.170 0.000 0.752 191 L CB -0.526 41.499 42.059 -0.056 0.000 0.896 191 L HN 0.015 nan 8.230 nan 0.000 0.433 192 K N -0.772 119.263 120.400 -0.608 0.000 2.057 192 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 192 K C 1.828 178.146 176.600 -0.471 0.000 1.049 192 K CA 1.578 57.301 56.287 -0.939 0.000 0.931 192 K CB -0.053 32.077 32.500 -0.616 0.000 0.714 192 K HN 0.446 nan 8.250 nan 0.000 0.440 193 N N 0.357 118.899 118.700 -0.263 0.000 2.171 193 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 193 N C 1.858 177.274 175.510 -0.158 0.000 1.021 193 N CA 1.077 54.027 53.050 -0.167 0.000 0.854 193 N CB -0.295 38.131 38.487 -0.102 0.000 0.994 193 N HN -0.001 nan 8.380 nan 0.000 0.426 194 V N 1.996 121.816 119.914 -0.157 0.000 2.295 194 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 194 V C 2.306 178.327 176.094 -0.121 0.000 1.049 194 V CA 1.253 63.481 62.300 -0.121 0.000 1.024 194 V CB -0.398 31.368 31.823 -0.095 0.000 0.648 194 V HN 0.212 nan 8.190 nan 0.000 0.447 195 I N -0.371 120.101 120.570 -0.163 0.000 2.252 195 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 195 I C 2.590 178.668 176.117 -0.066 0.000 1.102 195 I CA 1.683 62.936 61.300 -0.078 0.000 1.385 195 I CB -0.390 37.483 38.000 -0.212 0.000 1.064 195 I HN 0.270 nan 8.210 nan 0.000 0.414 196 K N 1.113 121.422 120.400 -0.152 0.000 2.026 196 K HA -0.265 4.055 4.320 -0.000 0.000 0.208 196 K C 2.111 178.656 176.600 -0.091 0.000 1.048 196 K CA 1.785 58.007 56.287 -0.109 0.000 0.929 196 K CB -0.084 32.339 32.500 -0.128 0.000 0.713 196 K HN 0.246 nan 8.250 nan 0.000 0.439 197 E N 0.369 120.504 120.200 -0.109 0.000 2.153 197 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 197 E C 1.863 178.371 176.600 -0.154 0.000 0.988 197 E CA 1.256 57.590 56.400 -0.111 0.000 0.811 197 E CB 0.159 29.797 29.700 -0.104 0.000 0.746 197 E HN 0.199 nan 8.360 nan 0.000 0.466 198 K N -1.201 119.071 120.400 -0.213 0.000 2.202 198 K HA -0.036 4.284 4.320 -0.000 0.000 0.201 198 K C 0.877 177.114 176.600 -0.605 0.000 1.051 198 K CA 0.671 56.702 56.287 -0.426 0.000 0.977 198 K CB 0.234 32.405 32.500 -0.549 0.000 0.792 198 K HN 0.140 nan 8.250 nan 0.000 0.469 199 Y N -0.360 119.894 120.300 -0.077 0.000 2.500 199 Y HA 0.310 4.860 4.550 -0.000 0.000 0.246 199 Y C 0.517 176.381 175.900 -0.060 0.000 1.146 199 Y CA -0.007 58.053 58.100 -0.066 0.000 1.230 199 Y CB 1.722 40.139 38.460 -0.072 0.000 1.214 199 Y HN 0.214 nan 8.280 nan 0.000 0.526 200 G N 0.795 109.612 108.800 0.029 0.000 2.707 200 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.686 200 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.686 200 G C 0.292 175.195 174.900 0.004 0.000 1.315 200 G CA -0.392 44.713 45.100 0.008 0.000 0.832 200 G HN 0.179 nan 8.290 nan 0.000 0.573 201 K N -0.258 120.138 120.400 -0.006 0.000 2.097 201 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 201 K C 1.687 178.291 176.600 0.007 0.000 1.049 201 K CA 1.643 57.925 56.287 -0.008 0.000 0.933 201 K CB -0.094 32.404 32.500 -0.004 0.000 0.717 201 K HN 0.521 nan 8.250 nan 0.000 0.442 202 D N 0.743 121.151 120.400 0.014 0.000 2.351 202 D HA -0.114 4.526 4.640 -0.000 0.000 0.216 202 D C 1.425 177.736 176.300 0.019 0.000 0.968 202 D CA 0.801 54.813 54.000 0.019 0.000 0.899 202 D CB 0.098 40.908 40.800 0.016 0.000 0.907 202 D HN 0.245 nan 8.370 nan 0.000 0.514 203 A N 0.399 123.229 122.820 0.017 0.000 2.238 203 A HA 0.007 4.326 4.320 -0.000 0.000 0.210 203 A C 1.926 179.515 177.584 0.009 0.000 1.179 203 A CA 0.751 52.789 52.037 0.001 0.000 0.827 203 A CB -0.176 18.835 19.000 0.018 0.000 0.856 203 A HN 0.231 nan 8.150 nan 0.000 0.488 204 T N -2.064 112.500 114.554 0.016 0.000 3.163 204 T HA 0.142 4.492 4.350 -0.000 0.000 0.252 204 T C 0.376 175.223 174.700 0.246 0.000 1.056 204 T CA -0.573 61.559 62.100 0.052 0.000 0.947 204 T CB -0.373 68.452 68.868 -0.072 0.000 1.016 204 T HN 0.225 nan 8.240 nan 0.000 0.554 205 N N 1.941 120.744 118.700 0.171 0.000 2.381 205 N HA 0.444 5.184 4.740 -0.000 0.000 0.254 205 N C 0.033 175.646 175.510 0.172 0.000 1.264 205 N CA -0.288 52.855 53.050 0.155 0.000 0.942 205 N CB 1.612 40.153 38.487 0.089 0.000 1.190 205 N HN 0.347 nan 8.380 nan 0.000 0.495 206 V N -2.992 116.985 119.914 0.105 0.000 3.019 206 V HA 0.885 5.005 4.120 -0.000 0.000 0.317 206 V C 0.664 176.788 176.094 0.051 0.000 1.094 206 V CA -0.789 61.544 62.300 0.055 0.000 1.000 206 V CB 1.138 32.958 31.823 -0.005 0.000 1.060 206 V HN 0.633 nan 8.190 nan 0.000 0.443 207 G N 0.414 109.244 108.800 0.050 0.000 2.532 207 G HA2 0.362 4.322 3.960 -0.000 0.000 0.291 207 G HA3 0.362 4.322 3.960 -0.000 0.000 0.291 207 G C 0.111 175.038 174.900 0.045 0.000 1.349 207 G CA -0.011 45.130 45.100 0.067 0.000 1.038 207 G HN 0.758 nan 8.290 nan 0.000 0.518 208 D N -0.271 120.152 120.400 0.037 0.000 2.190 208 D HA -0.084 4.555 4.640 -0.000 0.000 0.200 208 D C 1.757 178.029 176.300 -0.047 0.000 0.992 208 D CA 1.171 55.149 54.000 -0.037 0.000 0.854 208 D CB 0.221 40.933 40.800 -0.146 0.000 0.936 208 D HN 0.603 nan 8.370 nan 0.000 0.462 209 E N -0.974 119.228 120.200 0.002 0.000 2.451 209 E HA 0.310 4.660 4.350 -0.000 0.000 0.194 209 E C 1.014 177.652 176.600 0.063 0.000 1.027 209 E CA 0.169 56.600 56.400 0.052 0.000 0.914 209 E CB 0.800 30.580 29.700 0.133 0.000 1.054 209 E HN 0.239 nan 8.360 nan 0.000 0.461 210 G N 1.242 110.053 108.800 0.019 0.000 2.176 210 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.253 210 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.253 210 G C 0.577 175.426 174.900 -0.085 0.000 0.979 210 G CA -0.186 44.891 45.100 -0.038 0.000 0.641 210 G HN 0.474 nan 8.290 nan 0.000 0.530 211 G N -0.361 108.429 108.800 -0.016 0.000 2.476 211 G HA2 0.575 4.535 3.960 -0.000 0.000 0.269 211 G HA3 0.575 4.535 3.960 -0.000 0.000 0.269 211 G C 0.113 174.944 174.900 -0.114 0.000 1.195 211 G CA -0.683 44.400 45.100 -0.028 0.000 0.843 211 G HN 0.304 nan 8.290 nan 0.000 0.545 212 F N 0.114 120.136 119.950 0.121 0.000 2.545 212 F HA 0.334 4.861 4.527 -0.000 0.000 0.348 212 F C 1.121 176.919 175.800 -0.003 0.000 1.163 212 F CA 0.469 58.481 58.000 0.019 0.000 1.331 212 F CB 1.101 40.059 39.000 -0.071 0.000 1.138 212 F HN 0.455 nan 8.300 nan 0.000 0.602 213 A N 3.631 126.555 122.820 0.173 0.000 3.218 213 A HA 0.373 4.693 4.320 -0.000 0.000 0.321 213 A C -2.527 175.056 177.584 -0.002 0.000 1.012 213 A CA -1.432 50.644 52.037 0.064 0.000 0.948 213 A CB -0.833 18.203 19.000 0.059 0.000 1.050 213 A HN 0.372 nan 8.150 nan 0.000 0.492 214 P HA 0.022 nan 4.420 nan 0.000 0.271 214 P C -0.341 176.832 177.300 -0.212 0.000 1.216 214 P CA -0.103 62.889 63.100 -0.180 0.000 0.776 214 P CB 0.728 32.239 31.700 -0.315 0.000 0.881 215 N N 2.592 121.167 118.700 -0.208 0.000 3.243 215 N HA 0.108 4.847 4.740 -0.000 0.000 0.310 215 N C 0.017 175.397 175.510 -0.218 0.000 1.313 215 N CA -0.366 52.584 53.050 -0.167 0.000 1.204 215 N CB -1.233 37.194 38.487 -0.101 0.000 1.483 215 N HN 0.363 nan 8.380 nan 0.000 0.553 216 I N -2.502 117.901 120.570 -0.277 0.000 2.577 216 I HA 0.323 4.493 4.170 -0.000 0.000 0.305 216 I C 0.831 176.858 176.117 -0.150 0.000 0.986 216 I CA -0.894 60.252 61.300 -0.258 0.000 1.189 216 I CB 1.448 39.236 38.000 -0.353 0.000 1.355 216 I HN -0.059 nan 8.210 nan 0.000 0.476 217 L N 2.307 123.473 121.223 -0.095 0.000 2.425 217 L HA 0.345 4.684 4.340 -0.000 0.000 0.215 217 L C 0.864 177.721 176.870 -0.022 0.000 1.065 217 L CA 0.916 55.723 54.840 -0.055 0.000 0.842 217 L CB -0.133 41.905 42.059 -0.035 0.000 1.033 217 L HN 0.626 nan 8.230 nan 0.000 0.474 218 E N 0.636 120.826 120.200 -0.016 0.000 2.217 218 E HA 0.004 4.354 4.350 -0.000 0.000 0.279 218 E C 0.329 176.952 176.600 0.039 0.000 1.068 218 E CA 0.041 56.461 56.400 0.033 0.000 0.882 218 E CB 0.518 30.247 29.700 0.048 0.000 1.039 218 E HN 0.387 nan 8.360 nan 0.000 0.418 219 N N 2.961 121.749 118.700 0.146 0.000 2.223 219 N HA -0.199 4.541 4.740 -0.000 0.000 0.185 219 N C 1.579 177.146 175.510 0.096 0.000 1.016 219 N CA 0.883 54.087 53.050 0.256 0.000 0.863 219 N CB 0.093 38.835 38.487 0.424 0.000 0.983 219 N HN 0.321 nan 8.380 nan 0.000 0.429 220 K N 1.063 121.532 120.400 0.115 0.000 2.097 220 K HA -0.204 4.115 4.320 -0.000 0.000 0.206 220 K C 1.799 178.357 176.600 -0.070 0.000 1.049 220 K CA 1.229 57.524 56.287 0.013 0.000 0.933 220 K CB 0.059 32.729 32.500 0.284 0.000 0.717 220 K HN 0.055 nan 8.250 nan 0.000 0.442 221 E N 0.039 120.222 120.200 -0.028 0.000 2.110 221 E HA -0.108 4.241 4.350 -0.000 0.000 0.193 221 E C 1.748 178.244 176.600 -0.173 0.000 0.988 221 E CA 1.693 58.065 56.400 -0.046 0.000 0.804 221 E CB -0.543 29.149 29.700 -0.013 0.000 0.745 221 E HN 0.414 nan 8.360 nan 0.000 0.458 222 G N 0.740 109.344 108.800 -0.326 0.000 2.440 222 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.218 222 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.218 222 G C 1.593 176.267 174.900 -0.378 0.000 1.154 222 G CA 0.993 45.725 45.100 -0.613 0.000 0.767 222 G HN 0.319 nan 8.290 nan 0.000 0.552 223 L N -0.022 121.005 121.223 -0.326 0.000 2.083 223 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 223 L C 2.768 179.322 176.870 -0.527 0.000 1.083 223 L CA 1.372 55.894 54.840 -0.530 0.000 0.752 223 L CB -0.294 41.087 42.059 -1.130 0.000 0.899 223 L HN 0.227 nan 8.230 nan 0.000 0.433 224 E N 0.687 120.691 120.200 -0.326 0.000 2.110 224 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 224 E C 2.173 178.775 176.600 0.004 0.000 0.988 224 E CA 1.227 57.637 56.400 0.017 0.000 0.804 224 E CB -0.199 29.573 29.700 0.120 0.000 0.745 224 E HN 0.358 nan 8.360 nan 0.000 0.458 225 L N -0.386 120.804 121.223 -0.055 0.000 2.017 225 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 225 L C 2.234 179.089 176.870 -0.026 0.000 1.073 225 L CA 0.597 55.416 54.840 -0.036 0.000 0.745 225 L CB -0.444 41.576 42.059 -0.065 0.000 0.894 225 L HN 0.219 nan 8.230 nan 0.000 0.432 226 L N 0.168 121.366 121.223 -0.042 0.000 1.989 226 L HA -0.262 4.078 4.340 -0.000 0.000 0.211 226 L C 2.599 179.491 176.870 0.036 0.000 1.071 226 L CA 1.786 56.630 54.840 0.007 0.000 0.749 226 L CB -0.829 41.238 42.059 0.013 0.000 0.890 226 L HN 0.211 nan 8.230 nan 0.000 0.431 227 K N -1.208 119.222 120.400 0.050 0.000 2.074 227 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 227 K C 1.902 178.550 176.600 0.080 0.000 1.048 227 K CA 2.028 58.382 56.287 0.112 0.000 0.926 227 K CB -0.135 32.505 32.500 0.232 0.000 0.713 227 K HN 0.334 nan 8.250 nan 0.000 0.444 228 T N 0.563 115.151 114.554 0.057 0.000 2.737 228 T HA -0.088 4.262 4.350 -0.000 0.000 0.265 228 T C 1.896 176.607 174.700 0.017 0.000 1.038 228 T CA 1.301 63.419 62.100 0.031 0.000 1.144 228 T CB -0.301 68.575 68.868 0.013 0.000 0.866 228 T HN 0.432 nan 8.240 nan 0.000 0.434 229 A N 1.054 123.883 122.820 0.015 0.000 1.902 229 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 229 A C 2.285 179.894 177.584 0.041 0.000 1.181 229 A CA 1.115 53.160 52.037 0.013 0.000 0.623 229 A CB -0.788 18.218 19.000 0.010 0.000 0.818 229 A HN 0.513 nan 8.150 nan 0.000 0.443 230 I N -0.316 120.291 120.570 0.062 0.000 2.226 230 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 230 I C 2.678 178.833 176.117 0.064 0.000 1.100 230 I CA 1.180 62.535 61.300 0.092 0.000 1.374 230 I CB -0.532 37.528 38.000 0.100 0.000 1.057 230 I HN 0.401 nan 8.210 nan 0.000 0.413 231 G N 0.389 109.212 108.800 0.039 0.000 2.402 231 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.216 231 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.216 231 G C 1.712 176.599 174.900 -0.023 0.000 1.162 231 G CA 0.562 45.668 45.100 0.010 0.000 0.777 231 G HN 0.267 nan 8.290 nan 0.000 0.539 232 K N 0.504 120.894 120.400 -0.017 0.000 2.097 232 K HA 0.019 4.339 4.320 -0.000 0.000 0.206 232 K C 2.615 179.181 176.600 -0.057 0.000 1.049 232 K CA 1.156 57.422 56.287 -0.034 0.000 0.933 232 K CB -0.232 32.253 32.500 -0.026 0.000 0.717 232 K HN 0.238 nan 8.250 nan 0.000 0.442 233 A N 0.044 122.839 122.820 -0.042 0.000 2.167 233 A HA 0.123 4.443 4.320 -0.000 0.000 0.214 233 A C 1.247 178.620 177.584 -0.352 0.000 1.151 233 A CA 1.005 52.992 52.037 -0.084 0.000 0.735 233 A CB -0.388 18.673 19.000 0.101 0.000 0.802 233 A HN 0.537 nan 8.150 nan 0.000 0.467 234 G N -2.279 106.362 108.800 -0.265 0.000 2.160 234 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 234 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 234 G C 0.115 174.761 174.900 -0.424 0.000 1.022 234 G CA 0.570 45.464 45.100 -0.343 0.000 0.741 234 G HN 0.644 nan 8.290 nan 0.000 0.508 235 Y N -0.292 120.012 120.300 0.006 0.000 2.720 235 Y HA 0.251 4.800 4.550 -0.000 0.000 0.268 235 Y C 2.319 178.229 175.900 0.017 0.000 1.142 235 Y CA 0.293 58.398 58.100 0.008 0.000 1.193 235 Y CB 0.548 39.010 38.460 0.003 0.000 1.176 235 Y HN 0.219 nan 8.280 nan 0.000 0.542 236 T N -0.443 114.180 114.554 0.115 0.000 2.737 236 T HA -0.189 4.160 4.350 -0.000 0.000 0.269 236 T C 1.063 175.817 174.700 0.090 0.000 1.040 236 T CA 1.897 64.052 62.100 0.091 0.000 1.142 236 T CB -0.111 68.790 68.868 0.055 0.000 0.861 236 T HN 0.339 nan 8.240 nan 0.000 0.456 237 D N 0.344 120.799 120.400 0.091 0.000 2.349 237 D HA 0.092 4.732 4.640 -0.000 0.000 0.224 237 D C 1.595 177.949 176.300 0.090 0.000 1.029 237 D CA 0.603 54.652 54.000 0.081 0.000 0.879 237 D CB 0.135 40.976 40.800 0.068 0.000 0.906 237 D HN 0.377 nan 8.370 nan 0.000 0.528 238 K N -0.498 119.970 120.400 0.113 0.000 2.402 238 K HA 0.204 4.524 4.320 -0.000 0.000 0.204 238 K C -0.308 176.320 176.600 0.047 0.000 1.056 238 K CA 0.035 56.373 56.287 0.084 0.000 1.069 238 K CB 2.281 34.836 32.500 0.091 0.000 0.888 238 K HN -0.140 nan 8.250 nan 0.000 0.546 239 V N 2.265 122.216 119.914 0.061 0.000 2.604 239 V HA 0.361 4.480 4.120 -0.000 0.000 0.305 239 V C -0.164 175.948 176.094 0.029 0.000 1.043 239 V CA -1.030 61.289 62.300 0.033 0.000 0.888 239 V CB 1.749 33.607 31.823 0.059 0.000 0.995 239 V HN -0.034 nan 8.190 nan 0.000 0.429 240 V N 2.550 122.456 119.914 -0.013 0.000 3.103 240 V HA 0.732 4.851 4.120 -0.000 0.000 0.318 240 V C -0.507 175.581 176.094 -0.009 0.000 1.114 240 V CA -0.937 61.363 62.300 -0.001 0.000 1.020 240 V CB 2.191 34.000 31.823 -0.023 0.000 1.085 240 V HN 0.658 nan 8.190 nan 0.000 0.446 241 I N 0.858 121.438 120.570 0.017 0.000 2.562 241 I HA 0.805 4.975 4.170 -0.000 0.000 0.301 241 I C 0.554 176.667 176.117 -0.007 0.000 1.003 241 I CA -0.386 60.919 61.300 0.010 0.000 1.127 241 I CB 2.017 40.030 38.000 0.022 0.000 1.304 241 I HN 0.972 nan 8.210 nan 0.000 0.446 242 G N 5.237 114.021 108.800 -0.026 0.000 2.533 242 G HA2 0.842 4.801 3.960 -0.000 0.000 0.304 242 G HA3 0.842 4.801 3.960 -0.000 0.000 0.304 242 G C -1.157 173.686 174.900 -0.094 0.000 1.263 242 G CA -0.639 44.437 45.100 -0.041 0.000 0.964 242 G HN 0.432 nan 8.290 nan 0.000 0.479 243 M N 0.848 120.364 119.600 -0.139 0.000 2.501 243 M HA 0.353 4.833 4.480 -0.000 0.000 0.293 243 M C -1.906 174.268 176.300 -0.210 0.000 1.192 243 M CA -0.826 54.324 55.300 -0.250 0.000 0.886 243 M CB 3.113 35.507 32.600 -0.343 0.000 1.710 243 M HN 0.477 nan 8.290 nan 0.000 0.457 244 D N 1.555 121.826 120.400 -0.215 0.000 2.462 244 D HA 0.377 5.016 4.640 -0.000 0.000 0.245 244 D C 0.086 176.279 176.300 -0.178 0.000 1.122 244 D CA -0.387 53.520 54.000 -0.156 0.000 0.864 244 D CB 1.763 42.523 40.800 -0.066 0.000 1.098 244 D HN 0.345 nan 8.370 nan 0.000 0.541 245 V N 3.249 123.042 119.914 -0.203 0.000 2.488 245 V HA 0.029 4.149 4.120 -0.000 0.000 0.246 245 V C 1.516 177.570 176.094 -0.066 0.000 1.046 245 V CA 1.005 63.244 62.300 -0.102 0.000 1.053 245 V CB -1.069 30.654 31.823 -0.166 0.000 0.679 245 V HN 0.915 nan 8.190 nan 0.000 0.458 246 A N 0.107 122.824 122.820 -0.172 0.000 2.610 246 A HA -0.202 4.117 4.320 -0.000 0.000 0.299 246 A C 1.574 178.898 177.584 -0.434 0.000 1.487 246 A CA 0.909 52.826 52.037 -0.200 0.000 0.743 246 A CB -1.630 17.291 19.000 -0.131 0.000 1.070 246 A HN 1.078 nan 8.150 nan 0.000 0.439 247 A N -0.252 122.221 122.820 -0.579 0.000 2.070 247 A HA 0.083 4.402 4.320 -0.000 0.000 0.220 247 A C 2.291 179.457 177.584 -0.696 0.000 1.159 247 A CA 2.157 53.575 52.037 -1.033 0.000 0.656 247 A CB -0.559 18.062 19.000 -0.632 0.000 0.800 247 A HN 1.408 nan 8.150 nan 0.000 0.453 248 S N -0.093 115.384 115.700 -0.371 0.000 2.442 248 S HA -0.099 4.370 4.470 -0.000 0.000 0.236 248 S C 1.686 176.133 174.600 -0.254 0.000 1.007 248 S CA 1.062 59.120 58.200 -0.237 0.000 0.965 248 S CB -0.175 62.931 63.200 -0.156 0.000 0.773 248 S HN 0.596 nan 8.310 nan 0.000 0.504 249 E N 1.022 120.989 120.200 -0.388 0.000 2.208 249 E HA -0.048 4.301 4.350 -0.000 0.000 0.193 249 E C 1.077 177.337 176.600 -0.567 0.000 0.988 249 E CA 0.760 56.928 56.400 -0.387 0.000 0.828 249 E CB -0.116 29.389 29.700 -0.324 0.000 0.763 249 E HN 0.850 nan 8.360 nan 0.000 0.478 250 F N -1.973 117.687 119.950 -0.483 0.000 2.698 250 F HA 0.343 4.870 4.527 -0.000 0.000 0.304 250 F C 0.266 175.942 175.800 -0.206 0.000 1.108 250 F CA -1.243 56.447 58.000 -0.517 0.000 1.263 250 F CB -0.346 38.332 39.000 -0.537 0.000 1.013 250 F HN -0.290 nan 8.300 nan 0.000 0.532 251 F N 4.032 123.785 119.950 -0.329 0.000 2.538 251 F HA 0.437 4.964 4.527 -0.000 0.000 0.371 251 F C 0.233 175.790 175.800 -0.405 0.000 1.087 251 F CA -0.589 57.123 58.000 -0.481 0.000 1.250 251 F CB 0.556 39.322 39.000 -0.391 0.000 1.110 251 F HN -0.011 nan 8.300 nan 0.000 0.570 252 R N 4.662 124.540 120.500 -1.037 0.000 2.547 252 R HA 0.182 4.522 4.340 -0.000 0.000 0.280 252 R C -0.207 175.521 176.300 -0.953 0.000 1.630 252 R CA -0.178 55.381 56.100 -0.902 0.000 1.470 252 R CB 0.481 30.114 30.300 -1.111 0.000 1.178 252 R HN 0.833 nan 8.270 nan 0.000 0.591 253 S N 0.390 115.467 115.700 -1.039 0.000 3.549 253 S HA -0.245 4.225 4.470 -0.000 0.000 0.366 253 S C 1.104 175.333 174.600 -0.617 0.000 1.012 253 S CA 1.326 59.119 58.200 -0.678 0.000 1.141 253 S CB -1.094 61.935 63.200 -0.285 0.000 0.910 253 S HN 1.019 nan 8.310 nan 0.000 0.471 254 G N -0.580 107.573 108.800 -1.078 0.000 2.352 254 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.204 254 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.204 254 G C -0.057 174.692 174.900 -0.251 0.000 1.004 254 G CA 0.149 45.069 45.100 -0.300 0.000 0.648 254 G HN 0.630 nan 8.290 nan 0.000 0.491 255 K N -0.695 119.422 120.400 -0.473 0.000 2.288 255 K HA 0.736 5.056 4.320 -0.000 0.000 0.234 255 K C -1.217 175.054 176.600 -0.548 0.000 1.037 255 K CA -0.843 55.305 56.287 -0.232 0.000 0.914 255 K CB 1.331 33.823 32.500 -0.013 0.000 1.197 255 K HN 0.123 nan 8.250 nan 0.000 0.471 256 Y N -0.028 120.283 120.300 0.018 0.000 2.406 256 Y HA 0.144 4.694 4.550 -0.000 0.000 0.340 256 Y C -0.714 175.221 175.900 0.058 0.000 0.975 256 Y CA -0.939 57.244 58.100 0.139 0.000 1.056 256 Y CB 1.792 40.458 38.460 0.343 0.000 1.210 256 Y HN 0.474 nan 8.280 nan 0.000 0.448 257 D N 3.750 124.236 120.400 0.145 0.000 2.467 257 D HA 0.226 4.866 4.640 -0.000 0.000 0.220 257 D C 0.122 176.403 176.300 -0.032 0.000 1.103 257 D CA -0.029 54.034 54.000 0.105 0.000 0.886 257 D CB 0.712 41.568 40.800 0.093 0.000 1.025 257 D HN 0.648 nan 8.370 nan 0.000 0.514 258 L N 2.280 123.423 121.223 -0.133 0.000 2.675 258 L HA 0.096 4.436 4.340 -0.000 0.000 0.239 258 L C 0.709 177.539 176.870 -0.067 0.000 1.151 258 L CA 0.420 55.093 54.840 -0.277 0.000 0.905 258 L CB 0.045 41.973 42.059 -0.219 0.000 1.057 258 L HN 0.266 nan 8.230 nan 0.000 0.435 259 D N -0.960 119.469 120.400 0.048 0.000 2.865 259 D HA -0.001 4.639 4.640 -0.000 0.000 0.347 259 D C 1.179 177.525 176.300 0.077 0.000 1.498 259 D CA -0.461 53.555 54.000 0.027 0.000 0.787 259 D CB 0.162 40.977 40.800 0.026 0.000 1.190 259 D HN 0.195 nan 8.370 nan 0.000 0.445 260 F N 0.252 120.209 119.950 0.012 0.000 2.494 260 F HA 0.184 4.711 4.527 -0.000 0.000 0.298 260 F C 1.255 177.095 175.800 0.066 0.000 1.106 260 F CA 0.627 58.668 58.000 0.068 0.000 1.452 260 F CB -0.119 38.950 39.000 0.115 0.000 1.085 260 F HN -0.121 nan 8.300 nan 0.000 0.569 261 K N 0.381 120.482 120.400 -0.499 0.000 2.404 261 K HA 0.201 4.521 4.320 -0.000 0.000 0.194 261 K C 0.127 176.637 176.600 -0.151 0.000 1.023 261 K CA -0.050 55.995 56.287 -0.403 0.000 1.094 261 K CB 0.203 32.389 32.500 -0.522 0.000 0.841 261 K HN 0.160 nan 8.250 nan 0.000 0.523 262 S N 1.416 117.070 115.700 -0.076 0.000 2.638 262 S HA 0.367 4.837 4.470 -0.000 0.000 0.298 262 S C -2.556 172.055 174.600 0.018 0.000 1.111 262 S CA -1.353 56.831 58.200 -0.026 0.000 1.027 262 S CB 1.476 64.666 63.200 -0.017 0.000 1.064 262 S HN -0.081 nan 8.310 nan 0.000 0.525 263 P HA -0.011 nan 4.420 nan 0.000 0.261 263 P C -0.587 176.744 177.300 0.052 0.000 1.173 263 P CA 0.135 63.255 63.100 0.033 0.000 0.760 263 P CB 0.116 31.827 31.700 0.018 0.000 0.783 264 D N 2.511 122.958 120.400 0.077 0.000 2.583 264 D HA 0.017 4.657 4.640 -0.000 0.000 0.232 264 D C -0.371 175.955 176.300 0.043 0.000 1.128 264 D CA 1.056 55.120 54.000 0.107 0.000 0.859 264 D CB 0.150 41.026 40.800 0.128 0.000 1.169 264 D HN 0.166 nan 8.370 nan 0.000 0.481 265 D N 3.433 123.839 120.400 0.011 0.000 2.354 265 D HA 0.196 4.836 4.640 -0.000 0.000 0.230 265 D C -2.310 173.771 176.300 -0.364 0.000 1.361 265 D CA -1.652 52.281 54.000 -0.113 0.000 0.992 265 D CB 1.659 42.421 40.800 -0.065 0.000 1.409 265 D HN 0.087 nan 8.370 nan 0.000 0.573 266 P HA -0.114 nan 4.420 nan 0.000 0.223 266 P C 1.303 178.184 177.300 -0.699 0.000 1.144 266 P CA 0.897 63.279 63.100 -1.197 0.000 0.783 266 P CB 0.175 31.505 31.700 -0.617 0.000 0.771 267 S N 0.555 116.045 115.700 -0.350 0.000 2.442 267 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 267 S C 1.831 176.357 174.600 -0.123 0.000 1.007 267 S CA 0.604 58.694 58.200 -0.184 0.000 0.965 267 S CB -0.907 62.226 63.200 -0.112 0.000 0.773 267 S HN 0.315 nan 8.310 nan 0.000 0.504 268 R N -0.701 119.727 120.500 -0.121 0.000 2.312 268 R HA 0.157 4.497 4.340 -0.000 0.000 0.205 268 R C -0.435 175.946 176.300 0.135 0.000 0.904 268 R CA -0.436 55.669 56.100 0.009 0.000 1.052 268 R CB -0.348 29.974 30.300 0.036 0.000 1.014 268 R HN 0.323 nan 8.270 nan 0.000 0.503 269 Y N 2.749 123.060 120.300 0.019 0.000 2.597 269 Y HA 0.150 4.700 4.550 -0.000 0.000 0.336 269 Y C 1.113 177.040 175.900 0.045 0.000 1.216 269 Y CA -1.567 56.552 58.100 0.033 0.000 1.463 269 Y CB 0.210 38.674 38.460 0.007 0.000 1.303 269 Y HN 0.089 nan 8.280 nan 0.000 0.576 270 I N -0.615 120.101 120.570 0.244 0.000 2.797 270 I HA 0.719 4.888 4.170 -0.000 0.000 0.307 270 I C 0.041 176.292 176.117 0.223 0.000 1.033 270 I CA -1.156 60.248 61.300 0.173 0.000 1.071 270 I CB 2.151 40.213 38.000 0.102 0.000 1.255 270 I HN 0.484 nan 8.210 nan 0.000 0.445 271 S N 2.720 118.523 115.700 0.170 0.000 2.614 271 S HA 0.425 4.895 4.470 -0.000 0.000 0.265 271 S C -1.619 173.122 174.600 0.236 0.000 1.303 271 S CA -0.974 57.344 58.200 0.197 0.000 1.000 271 S CB 0.739 64.010 63.200 0.119 0.000 0.935 271 S HN 0.685 nan 8.310 nan 0.000 0.551 272 P HA -0.048 nan 4.420 nan 0.000 0.220 272 P C 0.495 177.853 177.300 0.098 0.000 1.148 272 P CA 0.986 64.218 63.100 0.220 0.000 0.803 272 P CB -0.043 31.745 31.700 0.147 0.000 0.782 273 D N 0.112 120.546 120.400 0.057 0.000 2.117 273 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 273 D C 2.238 178.541 176.300 0.005 0.000 0.982 273 D CA 1.092 55.111 54.000 0.031 0.000 0.828 273 D CB -0.443 40.375 40.800 0.030 0.000 0.967 273 D HN 0.272 nan 8.370 nan 0.000 0.464 274 Q N -0.238 119.562 119.800 0.000 0.000 2.119 274 Q HA -0.113 4.227 4.340 -0.000 0.000 0.201 274 Q C 2.098 178.006 176.000 -0.154 0.000 0.972 274 Q CA 0.517 56.292 55.803 -0.047 0.000 0.847 274 Q CB -0.021 28.711 28.738 -0.011 0.000 0.903 274 Q HN 0.161 nan 8.270 nan 0.000 0.433 275 L N 0.478 121.590 121.223 -0.185 0.000 2.056 275 L HA -0.060 4.279 4.340 -0.000 0.000 0.207 275 L C 2.097 178.480 176.870 -0.813 0.000 1.078 275 L CA 1.940 56.485 54.840 -0.492 0.000 0.749 275 L CB -0.817 40.960 42.059 -0.471 0.000 0.901 275 L HN 0.102 nan 8.230 nan 0.000 0.433 276 A N -0.812 121.806 122.820 -0.335 0.000 1.902 276 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 276 A C 1.978 179.503 177.584 -0.098 0.000 1.181 276 A CA 1.777 53.743 52.037 -0.118 0.000 0.623 276 A CB -0.802 18.356 19.000 0.262 0.000 0.818 276 A HN 0.507 nan 8.150 nan 0.000 0.443 277 D N -0.441 119.891 120.400 -0.113 0.000 2.149 277 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 277 D C 1.795 177.976 176.300 -0.199 0.000 0.990 277 D CA 1.258 55.205 54.000 -0.088 0.000 0.839 277 D CB -0.343 40.413 40.800 -0.073 0.000 0.948 277 D HN 0.373 nan 8.370 nan 0.000 0.460 278 L N 0.097 121.080 121.223 -0.400 0.000 2.027 278 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 278 L C 1.991 178.392 176.870 -0.782 0.000 1.074 278 L CA 1.527 56.004 54.840 -0.606 0.000 0.745 278 L CB -0.790 40.845 42.059 -0.706 0.000 0.898 278 L HN -0.032 nan 8.230 nan 0.000 0.433 279 Y N 0.414 120.407 120.300 -0.511 0.000 2.165 279 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 279 Y C 2.538 178.422 175.900 -0.027 0.000 1.155 279 Y CA 1.324 59.234 58.100 -0.316 0.000 1.164 279 Y CB -1.055 37.291 38.460 -0.191 0.000 0.978 279 Y HN 0.224 nan 8.280 nan 0.000 0.513 280 K N 0.096 120.603 120.400 0.178 0.000 2.103 280 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 280 K C 2.312 178.984 176.600 0.120 0.000 1.048 280 K CA 1.768 58.154 56.287 0.165 0.000 0.930 280 K CB -0.316 32.256 32.500 0.120 0.000 0.716 280 K HN 0.397 nan 8.250 nan 0.000 0.444 281 S N 0.291 116.020 115.700 0.049 0.000 2.406 281 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 281 S C 1.921 176.710 174.600 0.315 0.000 1.020 281 S CA 0.607 58.874 58.200 0.113 0.000 0.965 281 S CB -0.615 62.620 63.200 0.060 0.000 0.798 281 S HN 0.254 nan 8.310 nan 0.000 0.488 282 F N 1.523 121.602 119.950 0.215 0.000 2.113 282 F HA 0.059 4.585 4.527 -0.000 0.000 0.297 282 F C 2.365 178.328 175.800 0.272 0.000 1.103 282 F CA 0.778 58.958 58.000 0.301 0.000 1.248 282 F CB -0.291 38.855 39.000 0.243 0.000 0.999 282 F HN 0.189 nan 8.300 nan 0.000 0.475 283 I N 0.135 120.950 120.570 0.408 0.000 2.361 283 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 283 I C 2.292 178.519 176.117 0.184 0.000 1.133 283 I CA 1.333 62.789 61.300 0.260 0.000 1.413 283 I CB -0.389 37.732 38.000 0.201 0.000 1.073 283 I HN 0.115 nan 8.210 nan 0.000 0.424 284 K N 0.574 121.073 120.400 0.166 0.000 2.062 284 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 284 K C 1.304 177.923 176.600 0.033 0.000 1.051 284 K CA 1.322 57.662 56.287 0.088 0.000 0.941 284 K CB 0.154 32.699 32.500 0.074 0.000 0.719 284 K HN 0.215 nan 8.250 nan 0.000 0.440 285 D N -1.340 119.064 120.400 0.007 0.000 2.354 285 D HA 0.027 4.667 4.640 -0.000 0.000 0.209 285 D C -0.383 175.603 176.300 -0.524 0.000 1.015 285 D CA 0.649 54.476 54.000 -0.288 0.000 0.867 285 D CB 0.388 40.911 40.800 -0.462 0.000 0.933 285 D HN 0.083 nan 8.370 nan 0.000 0.520 286 Y N -0.772 119.586 120.300 0.096 0.000 2.588 286 Y HA 0.309 4.859 4.550 -0.000 0.000 0.343 286 Y C -2.055 173.887 175.900 0.070 0.000 1.065 286 Y CA -2.390 55.752 58.100 0.069 0.000 1.038 286 Y CB 1.590 40.080 38.460 0.050 0.000 1.297 286 Y HN -0.300 nan 8.280 nan 0.000 0.467 287 P HA 0.079 nan 4.420 nan 0.000 0.225 287 P C -0.639 176.739 177.300 0.130 0.000 1.768 287 P CA 0.274 63.461 63.100 0.145 0.000 0.943 287 P CB -0.291 31.477 31.700 0.113 0.000 1.936 288 V N 2.358 122.364 119.914 0.154 0.000 2.427 288 V HA 0.010 4.130 4.120 -0.000 0.000 0.268 288 V C 1.791 177.949 176.094 0.108 0.000 1.046 288 V CA 0.195 62.565 62.300 0.116 0.000 0.970 288 V CB 1.285 33.197 31.823 0.148 0.000 1.001 288 V HN 0.218 nan 8.190 nan 0.000 0.476 289 V N 1.766 121.736 119.914 0.093 0.000 3.528 289 V HA 0.458 4.578 4.120 -0.000 0.000 0.294 289 V C 0.525 176.688 176.094 0.115 0.000 1.404 289 V CA 0.346 62.719 62.300 0.122 0.000 1.065 289 V CB 0.647 32.585 31.823 0.192 0.000 0.904 289 V HN 0.662 nan 8.190 nan 0.000 0.435 290 S N 0.142 115.886 115.700 0.073 0.000 2.566 290 S HA 0.787 5.256 4.470 -0.000 0.000 0.273 290 S C -1.278 173.307 174.600 -0.025 0.000 1.157 290 S CA -0.517 57.710 58.200 0.045 0.000 0.938 290 S CB 1.644 64.893 63.200 0.080 0.000 1.087 290 S HN 0.346 nan 8.310 nan 0.000 0.474 291 I N 3.409 123.940 120.570 -0.064 0.000 2.478 291 I HA 0.434 4.603 4.170 -0.000 0.000 0.287 291 I C -0.261 175.738 176.117 -0.198 0.000 1.042 291 I CA -0.539 60.646 61.300 -0.191 0.000 1.067 291 I CB 1.995 39.799 38.000 -0.327 0.000 1.233 291 I HN 0.630 nan 8.210 nan 0.000 0.431 292 E N 5.628 125.709 120.200 -0.199 0.000 2.204 292 E HA 0.164 4.514 4.350 -0.000 0.000 0.276 292 E C -0.785 175.688 176.600 -0.212 0.000 0.974 292 E CA -0.455 55.870 56.400 -0.125 0.000 0.815 292 E CB 0.993 30.660 29.700 -0.055 0.000 1.119 292 E HN 0.520 nan 8.360 nan 0.000 0.393 293 D N 4.091 124.443 120.400 -0.080 0.000 2.740 293 D HA -0.149 4.491 4.640 -0.000 0.000 0.231 293 D C -1.789 174.147 176.300 -0.607 0.000 1.194 293 D CA 0.429 54.342 54.000 -0.144 0.000 0.673 293 D CB -0.429 40.352 40.800 -0.031 0.000 0.995 293 D HN 0.467 nan 8.370 nan 0.000 0.411 294 P HA -0.115 nan 4.420 nan 0.000 0.222 294 P C 0.357 176.654 177.300 -1.672 0.000 1.147 294 P CA 1.087 63.318 63.100 -1.449 0.000 0.790 294 P CB 0.267 30.876 31.700 -1.818 0.000 0.780 295 F N -1.114 118.245 119.950 -0.985 0.000 2.706 295 F HA 0.373 4.900 4.527 -0.000 0.000 0.328 295 F C 0.507 176.216 175.800 -0.152 0.000 1.123 295 F CA -1.398 56.225 58.000 -0.629 0.000 0.978 295 F CB -0.174 38.423 39.000 -0.671 0.000 1.404 295 F HN -0.373 nan 8.300 nan 0.000 0.497 296 D N 0.735 121.277 120.400 0.236 0.000 2.449 296 D HA 0.022 4.662 4.640 -0.000 0.000 0.236 296 D C 1.157 177.470 176.300 0.022 0.000 1.149 296 D CA 0.225 54.157 54.000 -0.114 0.000 0.878 296 D CB 0.839 41.039 40.800 -1.000 0.000 1.198 296 D HN 0.606 nan 8.370 nan 0.000 0.446 297 Q N 1.621 121.361 119.800 -0.100 0.000 2.376 297 Q HA -0.214 4.126 4.340 -0.000 0.000 0.211 297 Q C -0.171 175.628 176.000 -0.334 0.000 0.986 297 Q CA 1.366 57.076 55.803 -0.155 0.000 0.886 297 Q CB 0.100 28.814 28.738 -0.040 0.000 0.927 297 Q HN 0.498 nan 8.270 nan 0.000 0.457 298 D N 0.291 120.526 120.400 -0.274 0.000 2.582 298 D HA 0.050 4.690 4.640 -0.000 0.000 0.246 298 D C -0.688 175.544 176.300 -0.113 0.000 1.334 298 D CA -0.054 53.815 54.000 -0.219 0.000 0.805 298 D CB 0.363 41.252 40.800 0.149 0.000 1.087 298 D HN 0.141 nan 8.370 nan 0.000 0.499 299 D N -0.025 120.296 120.400 -0.132 0.000 2.896 299 D HA 0.022 4.662 4.640 -0.000 0.000 0.240 299 D C 0.993 177.416 176.300 0.205 0.000 1.193 299 D CA -0.521 53.526 54.000 0.077 0.000 0.983 299 D CB -0.311 40.562 40.800 0.122 0.000 1.074 299 D HN 0.092 nan 8.370 nan 0.000 0.496 300 W N 1.267 122.643 121.300 0.127 0.000 2.325 300 W HA -0.099 4.561 4.660 -0.000 0.000 0.299 300 W C 2.474 179.071 176.519 0.129 0.000 1.215 300 W CA 1.238 58.642 57.345 0.098 0.000 1.244 300 W CB -0.503 28.958 29.460 0.002 0.000 1.140 300 W HN 0.349 nan 8.180 nan 0.000 0.523 301 G N 0.070 109.043 108.800 0.288 0.000 2.421 301 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 301 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 301 G C 1.683 176.617 174.900 0.057 0.000 1.171 301 G CA 1.603 46.798 45.100 0.159 0.000 0.775 301 G HN 0.336 nan 8.290 nan 0.000 0.543 302 A N 0.121 122.892 122.820 -0.082 0.000 1.902 302 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 302 A C 2.165 179.476 177.584 -0.456 0.000 1.181 302 A CA 1.554 53.279 52.037 -0.520 0.000 0.623 302 A CB -0.687 17.646 19.000 -1.112 0.000 0.818 302 A HN 0.493 nan 8.150 nan 0.000 0.443 303 W N -0.271 120.887 121.300 -0.237 0.000 2.333 303 W HA -0.197 4.463 4.660 -0.000 0.000 0.316 303 W C 2.697 179.282 176.519 0.110 0.000 1.215 303 W CA 1.828 59.203 57.345 0.050 0.000 1.278 303 W CB -0.685 28.793 29.460 0.030 0.000 1.154 303 W HN 0.508 nan 8.180 nan 0.000 0.486 304 Q N 0.965 120.973 119.800 0.346 0.000 2.045 304 Q HA -0.315 4.025 4.340 -0.000 0.000 0.206 304 Q C 2.304 178.402 176.000 0.163 0.000 0.991 304 Q CA 2.348 58.294 55.803 0.239 0.000 0.851 304 Q CB -0.423 28.434 28.738 0.198 0.000 0.911 304 Q HN 0.259 nan 8.270 nan 0.000 0.418 305 K N -0.668 119.804 120.400 0.120 0.000 2.063 305 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 305 K C 1.924 178.599 176.600 0.124 0.000 1.048 305 K CA 1.484 57.821 56.287 0.084 0.000 0.928 305 K CB -0.296 32.226 32.500 0.036 0.000 0.713 305 K HN 0.253 nan 8.250 nan 0.000 0.442 306 F N 1.390 121.354 119.950 0.023 0.000 2.128 306 F HA -0.114 4.413 4.527 -0.000 0.000 0.295 306 F C 2.074 177.923 175.800 0.082 0.000 1.100 306 F CA 1.680 59.734 58.000 0.089 0.000 1.260 306 F CB -0.577 38.565 39.000 0.237 0.000 1.009 306 F HN -0.046 nan 8.300 nan 0.000 0.476 307 T N 0.679 115.298 114.554 0.108 0.000 2.788 307 T HA -0.156 4.193 4.350 -0.000 0.000 0.268 307 T C 2.195 176.845 174.700 -0.084 0.000 1.044 307 T CA 1.297 63.383 62.100 -0.023 0.000 1.139 307 T CB -0.789 68.153 68.868 0.123 0.000 0.867 307 T HN 0.358 nan 8.240 nan 0.000 0.454 308 A N 1.592 124.400 122.820 -0.021 0.000 1.978 308 A HA -0.077 4.242 4.320 -0.000 0.000 0.220 308 A C 2.375 179.918 177.584 -0.069 0.000 1.170 308 A CA 1.959 53.982 52.037 -0.023 0.000 0.636 308 A CB -0.487 18.522 19.000 0.014 0.000 0.810 308 A HN 0.598 nan 8.150 nan 0.000 0.448 309 S N -1.964 113.662 115.700 -0.125 0.000 2.559 309 S HA 0.554 5.024 4.470 -0.000 0.000 0.226 309 S C 1.603 176.071 174.600 -0.219 0.000 1.000 309 S CA 0.641 58.761 58.200 -0.133 0.000 0.948 309 S CB 0.190 63.337 63.200 -0.087 0.000 0.870 309 S HN 0.680 nan 8.310 nan 0.000 0.497 310 A N 2.024 124.628 122.820 -0.359 0.000 1.872 310 A HA 0.476 4.796 4.320 -0.000 0.000 0.214 310 A C 2.150 179.609 177.584 -0.208 0.000 1.187 310 A CA 1.310 53.087 52.037 -0.433 0.000 0.614 310 A CB -1.429 17.137 19.000 -0.723 0.000 0.826 310 A HN 1.556 nan 8.150 nan 0.000 0.442 311 G N -1.197 107.516 108.800 -0.145 0.000 2.199 311 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 311 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 311 G C 0.421 175.287 174.900 -0.057 0.000 0.982 311 G CA 0.777 45.830 45.100 -0.079 0.000 0.632 311 G HN 1.454 nan 8.290 nan 0.000 0.529 312 I N -2.863 117.665 120.570 -0.070 0.000 3.522 312 I HA 0.807 4.977 4.170 -0.000 0.000 0.292 312 I C 0.178 176.273 176.117 -0.037 0.000 1.147 312 I CA -1.393 59.892 61.300 -0.025 0.000 1.032 312 I CB 1.265 39.275 38.000 0.016 0.000 1.337 312 I HN 0.080 nan 8.210 nan 0.000 0.496 313 Q N 1.410 121.205 119.800 -0.008 0.000 2.286 313 Q HA 0.478 4.818 4.340 -0.000 0.000 0.257 313 Q C -1.635 174.355 176.000 -0.016 0.000 0.941 313 Q CA -0.501 55.285 55.803 -0.029 0.000 0.912 313 Q CB 1.353 30.094 28.738 0.005 0.000 1.192 313 Q HN 0.593 nan 8.270 nan 0.000 0.410 314 V N 5.177 125.065 119.914 -0.044 0.000 2.407 314 V HA 0.328 4.448 4.120 -0.000 0.000 0.291 314 V C -0.557 175.521 176.094 -0.027 0.000 1.018 314 V CA -0.817 61.488 62.300 0.008 0.000 0.842 314 V CB 1.638 33.517 31.823 0.092 0.000 0.996 314 V HN 0.636 nan 8.190 nan 0.000 0.426 315 V N 3.678 123.600 119.914 0.014 0.000 2.394 315 V HA 0.672 4.792 4.120 -0.000 0.000 0.282 315 V C 0.897 177.075 176.094 0.140 0.000 1.031 315 V CA -0.345 61.965 62.300 0.017 0.000 0.881 315 V CB 1.624 33.456 31.823 0.015 0.000 0.982 315 V HN 0.920 nan 8.190 nan 0.000 0.451 316 G N 1.961 110.778 108.800 0.029 0.000 2.338 316 G HA2 0.460 4.420 3.960 -0.000 0.000 0.298 316 G HA3 0.460 4.420 3.960 -0.000 0.000 0.298 316 G C -0.142 174.777 174.900 0.030 0.000 1.140 316 G CA -0.024 45.062 45.100 -0.022 0.000 0.860 316 G HN 0.777 nan 8.290 nan 0.000 0.470 317 D N 0.401 120.828 120.400 0.045 0.000 3.106 317 D HA -0.011 4.629 4.640 -0.000 0.000 0.216 317 D C 1.346 177.656 176.300 0.016 0.000 1.540 317 D CA 0.085 54.111 54.000 0.044 0.000 1.389 317 D CB 0.124 40.958 40.800 0.057 0.000 1.080 317 D HN 0.171 nan 8.370 nan 0.000 0.270 318 D N 0.299 120.710 120.400 0.017 0.000 2.264 318 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 318 D C 2.030 178.304 176.300 -0.044 0.000 0.966 318 D CA 0.264 54.267 54.000 0.006 0.000 0.864 318 D CB 0.040 40.840 40.800 -0.001 0.000 0.933 318 D HN 0.190 nan 8.370 nan 0.000 0.499 319 L N 0.728 121.839 121.223 -0.185 0.000 2.027 319 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 319 L C 2.142 178.838 176.870 -0.290 0.000 1.074 319 L CA 1.957 56.502 54.840 -0.490 0.000 0.745 319 L CB -0.676 40.710 42.059 -1.122 0.000 0.898 319 L HN 0.072 nan 8.230 nan 0.000 0.433 320 T N -3.839 110.628 114.554 -0.146 0.000 3.014 320 T HA 0.109 4.459 4.350 -0.000 0.000 0.250 320 T C 0.977 175.691 174.700 0.023 0.000 1.060 320 T CA 0.379 62.469 62.100 -0.017 0.000 1.040 320 T CB -0.700 68.214 68.868 0.077 0.000 0.971 320 T HN 0.571 nan 8.240 nan 0.000 0.497 321 V N 0.724 120.657 119.914 0.032 0.000 5.176 321 V HA -0.274 3.846 4.120 -0.000 0.000 0.252 321 V C 0.495 176.617 176.094 0.046 0.000 0.665 321 V CA 0.832 63.163 62.300 0.053 0.000 0.654 321 V CB -3.518 28.359 31.823 0.089 0.000 0.440 321 V HN 0.722 nan 8.190 nan 0.000 0.806 322 T N -1.140 113.442 114.554 0.048 0.000 3.830 322 T HA -0.281 4.069 4.350 -0.000 0.000 0.351 322 T C 0.305 175.018 174.700 0.022 0.000 0.758 322 T CA 1.606 63.731 62.100 0.041 0.000 1.857 322 T CB -1.533 67.360 68.868 0.042 0.000 1.864 322 T HN 1.277 nan 8.240 nan 0.000 0.772 323 N N 0.650 119.359 118.700 0.016 0.000 2.446 323 N HA 0.293 5.033 4.740 -0.000 0.000 0.265 323 N C -1.826 173.668 175.510 -0.027 0.000 0.975 323 N CA -2.347 50.701 53.050 -0.003 0.000 0.928 323 N CB 2.112 40.602 38.487 0.004 0.000 1.160 323 N HN -0.097 nan 8.380 nan 0.000 0.495 324 P HA -0.179 nan 4.420 nan 0.000 0.218 324 P C 0.719 177.971 177.300 -0.079 0.000 1.154 324 P CA 1.818 64.876 63.100 -0.070 0.000 0.872 324 P CB 0.446 32.108 31.700 -0.064 0.000 0.790 325 K N -0.976 119.385 120.400 -0.066 0.000 2.057 325 K HA -0.067 4.252 4.320 -0.000 0.000 0.206 325 K C 2.228 178.782 176.600 -0.076 0.000 1.050 325 K CA 1.025 57.266 56.287 -0.077 0.000 0.935 325 K CB -0.195 32.261 32.500 -0.073 0.000 0.715 325 K HN 0.043 nan 8.250 nan 0.000 0.439 326 R N 0.768 121.238 120.500 -0.050 0.000 2.090 326 R HA 0.007 4.346 4.340 -0.000 0.000 0.228 326 R C 2.308 178.643 176.300 0.059 0.000 1.110 326 R CA 0.995 57.098 56.100 0.006 0.000 0.973 326 R CB -0.512 29.788 30.300 0.000 0.000 0.869 326 R HN 0.256 nan 8.270 nan 0.000 0.440 327 I N 1.004 121.571 120.570 -0.005 0.000 2.179 327 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 327 I C 2.625 178.658 176.117 -0.140 0.000 1.088 327 I CA 1.424 62.687 61.300 -0.063 0.000 1.357 327 I CB -0.528 37.367 38.000 -0.176 0.000 1.051 327 I HN 0.094 nan 8.210 nan 0.000 0.409 328 A N 0.681 123.413 122.820 -0.147 0.000 1.908 328 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 328 A C 2.398 179.918 177.584 -0.106 0.000 1.181 328 A CA 2.155 54.101 52.037 -0.152 0.000 0.627 328 A CB -0.601 18.320 19.000 -0.132 0.000 0.818 328 A HN 0.396 nan 8.150 nan 0.000 0.445 329 K N -0.459 119.882 120.400 -0.099 0.000 2.097 329 K HA -0.044 4.275 4.320 -0.000 0.000 0.205 329 K C 2.114 178.693 176.600 -0.035 0.000 1.050 329 K CA 1.146 57.332 56.287 -0.169 0.000 0.938 329 K CB -0.309 31.973 32.500 -0.364 0.000 0.718 329 K HN 0.370 nan 8.250 nan 0.000 0.442 330 A N 0.970 123.910 122.820 0.200 0.000 1.930 330 A HA -0.100 4.219 4.320 -0.000 0.000 0.217 330 A C 2.220 180.066 177.584 0.437 0.000 1.175 330 A CA 1.621 53.934 52.037 0.461 0.000 0.627 330 A CB -0.751 18.599 19.000 0.583 0.000 0.815 330 A HN 0.294 nan 8.150 nan 0.000 0.443 331 V N -1.293 118.761 119.914 0.233 0.000 2.307 331 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 331 V C 1.888 178.062 176.094 0.135 0.000 1.045 331 V CA 2.245 64.649 62.300 0.172 0.000 1.024 331 V CB -1.188 30.507 31.823 -0.214 0.000 0.651 331 V HN 0.495 nan 8.190 nan 0.000 0.449 332 N N 0.809 119.533 118.700 0.040 0.000 2.166 332 N HA -0.157 4.582 4.740 -0.000 0.000 0.186 332 N C 1.849 177.386 175.510 0.045 0.000 1.019 332 N CA 2.027 55.085 53.050 0.013 0.000 0.856 332 N CB -0.256 38.203 38.487 -0.046 0.000 0.993 332 N HN 0.699 nan 8.380 nan 0.000 0.426 333 E N 0.788 121.032 120.200 0.073 0.000 2.478 333 E HA 0.038 4.387 4.350 -0.000 0.000 0.194 333 E C -0.223 176.477 176.600 0.166 0.000 1.045 333 E CA 0.003 56.464 56.400 0.101 0.000 0.868 333 E CB 0.176 29.942 29.700 0.110 0.000 0.885 333 E HN 0.235 nan 8.360 nan 0.000 0.505 334 K N 0.251 120.776 120.400 0.207 0.000 3.096 334 K HA -0.176 4.144 4.320 -0.000 0.000 0.266 334 K C 0.726 177.454 176.600 0.214 0.000 1.043 334 K CA 0.281 56.696 56.287 0.214 0.000 0.758 334 K CB -1.673 30.913 32.500 0.144 0.000 1.260 334 K HN 0.031 nan 8.250 nan 0.000 0.481 335 S N -0.895 114.968 115.700 0.271 0.000 2.402 335 S HA -0.081 4.389 4.470 -0.000 0.000 0.229 335 S C 1.178 175.932 174.600 0.257 0.000 1.021 335 S CA 0.940 59.309 58.200 0.282 0.000 0.974 335 S CB -0.405 62.926 63.200 0.218 0.000 0.800 335 S HN 0.710 nan 8.310 nan 0.000 0.484 336 C N 0.463 119.777 119.300 0.023 0.000 3.272 336 C HA 0.593 5.052 4.460 -0.000 0.000 0.363 336 C C -0.277 174.320 174.990 -0.655 0.000 1.514 336 C CA -0.805 58.108 59.018 -0.175 0.000 1.185 336 C CB 0.980 28.603 27.740 -0.195 0.000 1.716 336 C HN 0.496 nan 8.230 nan 0.000 0.440 337 N N -1.138 117.106 118.700 -0.760 0.000 2.232 337 N HA 0.343 5.083 4.740 -0.000 0.000 0.240 337 N C -0.596 174.443 175.510 -0.784 0.000 1.307 337 N CA -0.022 52.466 53.050 -0.936 0.000 0.859 337 N CB 1.092 39.370 38.487 -0.349 0.000 1.260 337 N HN 0.879 nan 8.380 nan 0.000 0.501 338 C N 1.162 120.003 119.300 -0.764 0.000 2.891 338 C HA 0.590 5.050 4.460 -0.000 0.000 0.342 338 C C -1.432 173.491 174.990 -0.112 0.000 1.126 338 C CA -0.863 58.011 59.018 -0.240 0.000 1.322 338 C CB 1.193 28.871 27.740 -0.104 0.000 1.763 338 C HN 0.415 nan 8.230 nan 0.000 0.491 339 L N 5.400 126.755 121.223 0.221 0.000 2.282 339 L HA 0.740 5.080 4.340 -0.000 0.000 0.288 339 L C -0.702 176.256 176.870 0.147 0.000 1.033 339 L CA -0.177 54.828 54.840 0.276 0.000 0.807 339 L CB 1.308 43.602 42.059 0.392 0.000 1.209 339 L HN 0.724 nan 8.230 nan 0.000 0.423 340 L N 5.497 126.786 121.223 0.111 0.000 2.281 340 L HA 0.419 4.758 4.340 -0.000 0.000 0.285 340 L C -0.842 176.083 176.870 0.091 0.000 1.074 340 L CA 0.010 54.903 54.840 0.089 0.000 0.817 340 L CB 1.044 43.150 42.059 0.078 0.000 1.168 340 L HN 0.710 nan 8.230 nan 0.000 0.434 341 L N 6.248 127.522 121.223 0.085 0.000 2.259 341 L HA 0.412 4.751 4.340 -0.000 0.000 0.288 341 L C -0.611 176.306 176.870 0.078 0.000 1.051 341 L CA 0.162 55.049 54.840 0.078 0.000 0.824 341 L CB 0.145 42.248 42.059 0.073 0.000 1.206 341 L HN 0.544 nan 8.230 nan 0.000 0.429 342 K N 4.083 124.525 120.400 0.070 0.000 2.507 342 K HA 0.227 4.547 4.320 -0.000 0.000 0.253 342 K C 1.077 177.707 176.600 0.049 0.000 0.969 342 K CA -0.363 55.964 56.287 0.066 0.000 0.908 342 K CB 1.748 34.285 32.500 0.061 0.000 1.127 342 K HN 0.543 nan 8.250 nan 0.000 0.437 343 V N 0.300 120.244 119.914 0.050 0.000 2.453 343 V HA -0.310 3.810 4.120 -0.000 0.000 0.252 343 V C 1.581 177.673 176.094 -0.002 0.000 1.068 343 V CA 2.063 64.376 62.300 0.022 0.000 1.070 343 V CB -0.567 31.256 31.823 0.001 0.000 0.664 343 V HN 0.874 nan 8.190 nan 0.000 0.461 344 N N 0.073 118.773 118.700 0.000 0.000 2.461 344 N HA -0.080 4.660 4.740 -0.000 0.000 0.188 344 N C 1.636 177.149 175.510 0.005 0.000 1.134 344 N CA 0.890 53.936 53.050 -0.008 0.000 0.878 344 N CB -0.101 38.377 38.487 -0.015 0.000 0.972 344 N HN 0.710 nan 8.380 nan 0.000 0.456 345 Q N -0.344 119.466 119.800 0.016 0.000 2.331 345 Q HA 0.098 4.437 4.340 -0.000 0.000 0.203 345 Q C 1.111 177.125 176.000 0.023 0.000 0.944 345 Q CA 0.630 56.448 55.803 0.025 0.000 0.892 345 Q CB 0.321 29.081 28.738 0.036 0.000 0.983 345 Q HN 0.341 nan 8.270 nan 0.000 0.482 346 I N -2.142 118.437 120.570 0.015 0.000 4.124 346 I HA 0.229 4.399 4.170 -0.000 0.000 0.311 346 I C 1.009 177.125 176.117 -0.000 0.000 1.259 346 I CA 1.176 62.481 61.300 0.009 0.000 1.315 346 I CB 1.106 39.110 38.000 0.007 0.000 1.223 346 I HN 0.162 nan 8.210 nan 0.000 0.441 347 G N 0.638 109.433 108.800 -0.007 0.000 2.179 347 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 347 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 347 G C 0.321 175.206 174.900 -0.025 0.000 0.990 347 G CA 0.297 45.389 45.100 -0.014 0.000 0.646 347 G HN 0.968 nan 8.290 nan 0.000 0.517 348 S N -1.658 114.026 115.700 -0.028 0.000 2.570 348 S HA 0.690 5.160 4.470 -0.000 0.000 0.270 348 S C 0.781 175.358 174.600 -0.038 0.000 1.149 348 S CA 0.132 58.310 58.200 -0.038 0.000 0.837 348 S CB 1.938 65.125 63.200 -0.021 0.000 1.124 348 S HN 0.804 nan 8.310 nan 0.000 0.465 349 V N 1.800 121.683 119.914 -0.052 0.000 2.295 349 V HA -0.145 3.974 4.120 -0.000 0.000 0.246 349 V C 2.724 178.820 176.094 0.004 0.000 1.049 349 V CA 2.711 64.999 62.300 -0.019 0.000 1.024 349 V CB -1.323 30.491 31.823 -0.014 0.000 0.648 349 V HN 1.043 nan 8.190 nan 0.000 0.447 350 T N -0.309 114.239 114.554 -0.009 0.000 2.684 350 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 350 T C 1.797 176.490 174.700 -0.012 0.000 1.036 350 T CA 1.882 63.975 62.100 -0.012 0.000 1.148 350 T CB -0.270 68.589 68.868 -0.015 0.000 0.863 350 T HN 0.600 nan 8.240 nan 0.000 0.436 351 E N 0.776 120.969 120.200 -0.012 0.000 2.106 351 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 351 E C 2.591 179.187 176.600 -0.007 0.000 0.984 351 E CA 1.054 57.447 56.400 -0.013 0.000 0.806 351 E CB -0.096 29.596 29.700 -0.013 0.000 0.750 351 E HN 0.317 nan 8.360 nan 0.000 0.458 352 S N 0.995 116.697 115.700 0.004 0.000 2.368 352 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 352 S C 1.981 176.592 174.600 0.018 0.000 1.030 352 S CA 0.785 58.997 58.200 0.020 0.000 0.999 352 S CB -0.134 63.091 63.200 0.041 0.000 0.844 352 S HN 0.214 nan 8.310 nan 0.000 0.459 353 L N 1.241 122.472 121.223 0.013 0.000 2.093 353 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 353 L C 2.626 179.487 176.870 -0.015 0.000 1.085 353 L CA 1.163 56.004 54.840 0.002 0.000 0.755 353 L CB -0.699 41.356 42.059 -0.007 0.000 0.904 353 L HN 0.408 nan 8.230 nan 0.000 0.435 354 Q N -0.039 119.749 119.800 -0.021 0.000 2.119 354 Q HA -0.130 4.209 4.340 -0.000 0.000 0.201 354 Q C 2.461 178.435 176.000 -0.044 0.000 0.972 354 Q CA 1.419 57.201 55.803 -0.035 0.000 0.847 354 Q CB -0.186 28.531 28.738 -0.036 0.000 0.903 354 Q HN 0.530 nan 8.270 nan 0.000 0.433 355 A N 0.564 123.365 122.820 -0.032 0.000 1.898 355 A HA -0.206 4.113 4.320 -0.000 0.000 0.216 355 A C 2.314 179.876 177.584 -0.037 0.000 1.181 355 A CA 1.331 53.345 52.037 -0.038 0.000 0.620 355 A CB -1.169 17.825 19.000 -0.010 0.000 0.819 355 A HN 0.558 nan 8.150 nan 0.000 0.442 356 C N -0.224 119.069 119.300 -0.012 0.000 2.432 356 C HA -0.070 4.389 4.460 -0.000 0.000 0.277 356 C C 2.657 177.633 174.990 -0.025 0.000 1.249 356 C CA 1.572 60.590 59.018 0.000 0.000 1.725 356 C CB -0.893 26.854 27.740 0.012 0.000 2.028 356 C HN 0.514 nan 8.230 nan 0.000 0.477 357 K N 0.623 121.001 120.400 -0.037 0.000 2.148 357 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 357 K C 1.778 178.329 176.600 -0.081 0.000 1.050 357 K CA 0.919 57.177 56.287 -0.049 0.000 0.942 357 K CB -0.975 31.498 32.500 -0.045 0.000 0.724 357 K HN 0.545 nan 8.250 nan 0.000 0.446 358 L N 1.146 122.305 121.223 -0.108 0.000 2.027 358 L HA -0.059 4.280 4.340 -0.000 0.000 0.206 358 L C 2.189 178.905 176.870 -0.256 0.000 1.074 358 L CA 1.891 56.630 54.840 -0.168 0.000 0.745 358 L CB -0.835 41.117 42.059 -0.179 0.000 0.898 358 L HN 0.130 nan 8.230 nan 0.000 0.433 359 A N -1.010 121.661 122.820 -0.248 0.000 1.877 359 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 359 A C 2.206 179.706 177.584 -0.139 0.000 1.186 359 A CA 1.882 53.731 52.037 -0.314 0.000 0.620 359 A CB -0.662 18.326 19.000 -0.021 0.000 0.822 359 A HN 0.650 nan 8.150 nan 0.000 0.443 360 Q N -0.755 119.016 119.800 -0.047 0.000 2.084 360 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 360 Q C 2.352 178.329 176.000 -0.038 0.000 0.978 360 Q CA 1.357 57.155 55.803 -0.009 0.000 0.844 360 Q CB -0.402 28.332 28.738 -0.006 0.000 0.898 360 Q HN 0.681 nan 8.270 nan 0.000 0.426 361 A N 1.195 123.969 122.820 -0.075 0.000 2.070 361 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 361 A C 1.479 179.014 177.584 -0.082 0.000 1.159 361 A CA 1.144 53.137 52.037 -0.073 0.000 0.656 361 A CB -0.189 18.761 19.000 -0.084 0.000 0.800 361 A HN 0.289 nan 8.150 nan 0.000 0.453 362 N N -0.958 117.664 118.700 -0.130 0.000 2.268 362 N HA 0.164 4.904 4.740 -0.000 0.000 0.204 362 N C 1.033 176.550 175.510 0.011 0.000 1.124 362 N CA 0.834 53.808 53.050 -0.127 0.000 0.838 362 N CB 0.547 38.836 38.487 -0.329 0.000 0.994 362 N HN 0.581 nan 8.380 nan 0.000 0.489 363 G N 0.375 109.201 108.800 0.044 0.000 2.162 363 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 363 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 363 G C -0.218 174.822 174.900 0.233 0.000 0.976 363 G CA -0.087 45.079 45.100 0.110 0.000 0.655 363 G HN 0.224 nan 8.290 nan 0.000 0.533 364 W N 0.610 121.897 121.300 -0.021 0.000 2.161 364 W HA 0.620 5.280 4.660 -0.000 0.000 0.344 364 W C 1.080 177.581 176.519 -0.029 0.000 1.262 364 W CA -0.006 57.328 57.345 -0.018 0.000 1.270 364 W CB 0.398 29.855 29.460 -0.006 0.000 1.126 364 W HN 0.413 nan 8.180 nan 0.000 0.598 365 G N 0.091 108.994 108.800 0.173 0.000 2.547 365 G HA2 0.557 4.516 3.960 -0.000 0.000 0.291 365 G HA3 0.557 4.516 3.960 -0.000 0.000 0.291 365 G C -1.597 173.384 174.900 0.135 0.000 1.211 365 G CA -0.594 44.552 45.100 0.075 0.000 0.950 365 G HN 0.276 nan 8.290 nan 0.000 0.504 366 V N 0.819 120.788 119.914 0.092 0.000 2.668 366 V HA 0.458 4.578 4.120 -0.000 0.000 0.304 366 V C -0.347 175.792 176.094 0.074 0.000 1.071 366 V CA -0.532 61.830 62.300 0.104 0.000 0.894 366 V CB 1.812 33.689 31.823 0.090 0.000 1.008 366 V HN 0.828 nan 8.190 nan 0.000 0.425 367 M N 5.478 125.124 119.600 0.076 0.000 2.078 367 M HA 0.592 5.072 4.480 -0.000 0.000 0.320 367 M C -1.117 175.215 176.300 0.055 0.000 0.969 367 M CA -0.456 54.881 55.300 0.062 0.000 0.929 367 M CB 1.440 34.078 32.600 0.064 0.000 1.504 367 M HN 0.481 nan 8.290 nan 0.000 0.419 368 V N 3.578 123.515 119.914 0.037 0.000 2.811 368 V HA 0.363 4.483 4.120 -0.000 0.000 0.302 368 V C 0.198 176.311 176.094 0.031 0.000 1.063 368 V CA 0.064 62.385 62.300 0.036 0.000 1.088 368 V CB 1.344 33.176 31.823 0.016 0.000 0.982 368 V HN 0.921 nan 8.190 nan 0.000 0.485 369 S N 2.156 117.894 115.700 0.064 0.000 2.588 369 S HA 0.575 5.044 4.470 -0.000 0.000 0.275 369 S C -0.596 174.111 174.600 0.178 0.000 1.130 369 S CA -0.805 57.460 58.200 0.108 0.000 0.855 369 S CB 1.386 64.681 63.200 0.159 0.000 1.116 369 S HN 0.982 nan 8.310 nan 0.000 0.472 370 H N 1.172 120.246 119.070 0.008 0.000 2.523 370 H HA 0.774 5.330 4.556 -0.000 0.000 0.317 370 H C -0.220 175.116 175.328 0.013 0.000 1.511 370 H CA -1.240 54.808 56.048 0.000 0.000 1.499 370 H CB 0.477 30.224 29.762 -0.024 0.000 1.742 370 H HN 0.295 nan 8.280 nan 0.000 0.750 371 R N -0.267 120.164 120.500 -0.115 0.000 2.873 371 R HA 0.140 4.480 4.340 -0.000 0.000 0.264 371 R C 1.048 177.081 176.300 -0.445 0.000 1.026 371 R CA -0.372 55.597 56.100 -0.219 0.000 1.002 371 R CB 1.487 31.731 30.300 -0.093 0.000 1.174 371 R HN 0.921 nan 8.270 nan 0.000 0.488 372 S N -0.838 114.626 115.700 -0.393 0.000 2.442 372 S HA -0.038 4.432 4.470 -0.000 0.000 0.236 372 S C 1.048 175.471 174.600 -0.296 0.000 1.007 372 S CA 0.678 58.582 58.200 -0.493 0.000 0.965 372 S CB -0.035 62.697 63.200 -0.780 0.000 0.773 372 S HN 0.665 nan 8.310 nan 0.000 0.504 373 G N 1.446 110.131 108.800 -0.191 0.000 2.547 373 G HA2 0.540 4.500 3.960 -0.000 0.000 0.327 373 G HA3 0.540 4.500 3.960 -0.000 0.000 0.327 373 G C -0.401 174.451 174.900 -0.079 0.000 1.118 373 G CA -0.434 44.602 45.100 -0.107 0.000 1.022 373 G HN 0.090 nan 8.290 nan 0.000 0.464 374 E N 0.385 120.552 120.200 -0.055 0.000 2.390 374 E HA 0.713 5.063 4.350 -0.000 0.000 0.249 374 E C 0.408 177.008 176.600 0.000 0.000 0.981 374 E CA -0.375 56.014 56.400 -0.018 0.000 0.860 374 E CB 2.111 31.818 29.700 0.012 0.000 1.278 374 E HN 0.571 nan 8.360 nan 0.000 0.416 375 T N -2.951 111.610 114.554 0.013 0.000 2.696 375 T HA 0.214 4.563 4.350 -0.000 0.000 0.291 375 T C 0.613 175.328 174.700 0.026 0.000 1.095 375 T CA -0.668 61.443 62.100 0.019 0.000 1.026 375 T CB 0.899 69.773 68.868 0.009 0.000 1.390 375 T HN 0.396 nan 8.240 nan 0.000 0.513 376 E N 0.371 120.588 120.200 0.029 0.000 2.516 376 E HA -0.051 4.299 4.350 -0.000 0.000 0.199 376 E C 0.131 176.751 176.600 0.034 0.000 1.069 376 E CA 0.033 56.451 56.400 0.031 0.000 0.876 376 E CB -0.279 29.440 29.700 0.032 0.000 0.843 376 E HN 0.716 nan 8.360 nan 0.000 0.530 377 D N 2.042 122.464 120.400 0.037 0.000 2.414 377 D HA -0.030 4.610 4.640 -0.000 0.000 0.242 377 D C 0.331 176.671 176.300 0.066 0.000 1.129 377 D CA 0.775 54.809 54.000 0.056 0.000 0.885 377 D CB 1.129 41.961 40.800 0.053 0.000 1.198 377 D HN 0.124 nan 8.370 nan 0.000 0.437 378 T N 0.946 115.550 114.554 0.084 0.000 3.200 378 T HA 0.033 4.383 4.350 -0.000 0.000 0.284 378 T C 1.531 176.278 174.700 0.078 0.000 1.009 378 T CA -0.586 61.548 62.100 0.057 0.000 0.907 378 T CB -0.528 68.354 68.868 0.024 0.000 1.120 378 T HN 0.376 nan 8.240 nan 0.000 0.534 379 F N 3.509 123.459 119.950 0.000 0.000 2.087 379 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 379 F C 1.873 177.672 175.800 -0.002 0.000 1.100 379 F CA 2.137 60.141 58.000 0.007 0.000 1.226 379 F CB -0.309 38.695 39.000 0.008 0.000 0.983 379 F HN 0.368 nan 8.300 nan 0.000 0.479 380 I N -1.076 119.588 120.570 0.157 0.000 2.530 380 I HA -0.157 4.013 4.170 -0.000 0.000 0.257 380 I C 2.291 178.347 176.117 -0.101 0.000 1.179 380 I CA 1.320 62.645 61.300 0.041 0.000 1.440 380 I CB -1.354 36.693 38.000 0.078 0.000 1.087 380 I HN 0.166 nan 8.210 nan 0.000 0.440 381 A N 1.872 124.621 122.820 -0.119 0.000 1.877 381 A HA -0.226 4.093 4.320 -0.000 0.000 0.216 381 A C 1.806 179.286 177.584 -0.173 0.000 1.186 381 A CA 2.330 54.277 52.037 -0.149 0.000 0.620 381 A CB -0.887 18.037 19.000 -0.127 0.000 0.822 381 A HN 0.507 nan 8.150 nan 0.000 0.443 382 D N -0.782 119.500 120.400 -0.196 0.000 2.149 382 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 382 D C 1.779 177.953 176.300 -0.211 0.000 0.972 382 D CA 0.891 54.800 54.000 -0.153 0.000 0.835 382 D CB -0.154 40.547 40.800 -0.166 0.000 0.966 382 D HN 0.314 nan 8.370 nan 0.000 0.476 383 L N 0.429 121.434 121.223 -0.362 0.000 1.989 383 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 383 L C 2.170 178.973 176.870 -0.112 0.000 1.071 383 L CA 1.456 56.141 54.840 -0.258 0.000 0.749 383 L CB -0.716 41.237 42.059 -0.176 0.000 0.890 383 L HN 0.034 nan 8.230 nan 0.000 0.431 384 V N -1.327 118.528 119.914 -0.099 0.000 2.515 384 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 384 V C 2.366 178.413 176.094 -0.079 0.000 1.058 384 V CA 1.737 63.996 62.300 -0.068 0.000 1.064 384 V CB 0.052 31.837 31.823 -0.063 0.000 0.675 384 V HN 0.347 nan 8.190 nan 0.000 0.461 385 V N 0.707 120.553 119.914 -0.114 0.000 2.307 385 V HA -0.089 4.031 4.120 -0.000 0.000 0.245 385 V C 2.712 178.772 176.094 -0.057 0.000 1.045 385 V CA 2.090 64.311 62.300 -0.132 0.000 1.024 385 V CB -1.329 30.338 31.823 -0.260 0.000 0.651 385 V HN 0.618 nan 8.190 nan 0.000 0.449 386 G N -0.600 108.195 108.800 -0.009 0.000 2.443 386 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.219 386 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.219 386 G C 1.457 176.353 174.900 -0.007 0.000 1.131 386 G CA 0.495 45.609 45.100 0.025 0.000 0.775 386 G HN 0.486 nan 8.290 nan 0.000 0.547 387 L N -0.262 120.948 121.223 -0.022 0.000 2.558 387 L HA 0.139 4.479 4.340 -0.000 0.000 0.225 387 L C 1.148 178.010 176.870 -0.014 0.000 1.128 387 L CA -0.453 54.377 54.840 -0.015 0.000 0.868 387 L CB -0.085 41.968 42.059 -0.009 0.000 1.006 387 L HN 0.191 nan 8.230 nan 0.000 0.454 388 C N 0.686 119.974 119.300 -0.020 0.000 4.274 388 C HA -0.207 4.253 4.460 -0.000 0.000 0.297 388 C C 2.321 177.301 174.990 -0.017 0.000 1.446 388 C CA 0.973 59.978 59.018 -0.022 0.000 2.016 388 C CB -2.852 24.879 27.740 -0.015 0.000 1.273 388 C HN 0.737 nan 8.230 nan 0.000 0.782 389 T N -2.911 111.636 114.554 -0.012 0.000 2.951 389 T HA 0.282 4.632 4.350 -0.000 0.000 0.268 389 T C 1.854 176.554 174.700 -0.000 0.000 1.073 389 T CA 1.987 64.087 62.100 0.001 0.000 1.134 389 T CB -0.065 68.813 68.868 0.017 0.000 0.884 389 T HN 2.219 nan 8.240 nan 0.000 0.479 390 G N 1.314 110.108 108.800 -0.010 0.000 2.176 390 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.253 390 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.253 390 G C -0.125 174.794 174.900 0.032 0.000 0.979 390 G CA 0.273 45.366 45.100 -0.013 0.000 0.641 390 G HN 1.040 nan 8.290 nan 0.000 0.530 391 Q N -0.936 118.892 119.800 0.047 0.000 2.309 391 Q HA 0.802 5.142 4.340 -0.000 0.000 0.273 391 Q C -1.025 174.992 176.000 0.028 0.000 1.040 391 Q CA -1.115 54.725 55.803 0.062 0.000 0.834 391 Q CB 2.692 31.519 28.738 0.148 0.000 1.345 391 Q HN 0.752 nan 8.270 nan 0.000 0.414 392 I N 1.418 121.990 120.570 0.004 0.000 2.692 392 I HA 0.475 4.645 4.170 -0.000 0.000 0.293 392 I C -1.935 174.140 176.117 -0.071 0.000 1.200 392 I CA -0.753 60.531 61.300 -0.027 0.000 1.036 392 I CB 2.299 40.277 38.000 -0.038 0.000 1.258 392 I HN 0.795 nan 8.210 nan 0.000 0.421 393 K N 4.155 124.492 120.400 -0.105 0.000 2.358 393 K HA 0.508 4.828 4.320 -0.000 0.000 0.260 393 K C -0.806 175.506 176.600 -0.479 0.000 0.956 393 K CA -0.552 55.632 56.287 -0.172 0.000 0.834 393 K CB 1.911 34.375 32.500 -0.060 0.000 1.102 393 K HN 0.492 nan 8.250 nan 0.000 0.431 394 T N 1.950 116.158 114.554 -0.576 0.000 3.794 394 T HA 0.389 4.738 4.350 -0.000 0.000 0.300 394 T C -0.145 174.232 174.700 -0.540 0.000 0.961 394 T CA 0.357 61.849 62.100 -1.013 0.000 1.025 394 T CB -0.357 68.118 68.868 -0.655 0.000 1.175 394 T HN 1.169 nan 8.240 nan 0.000 0.474 395 G N 0.993 109.682 108.800 -0.186 0.000 2.555 395 G HA2 0.395 4.355 3.960 -0.000 0.000 0.686 395 G HA3 0.395 4.355 3.960 -0.000 0.000 0.686 395 G C -0.139 174.988 174.900 0.378 0.000 1.275 395 G CA -0.396 44.854 45.100 0.251 0.000 0.871 395 G HN 0.827 nan 8.290 nan 0.000 0.603 396 A N 0.621 123.565 122.820 0.207 0.000 2.327 396 A HA 0.779 5.099 4.320 -0.000 0.000 0.255 396 A C -1.261 176.266 177.584 -0.095 0.000 1.099 396 A CA -0.386 51.658 52.037 0.012 0.000 0.801 396 A CB 0.305 19.195 19.000 -0.183 0.000 1.062 396 A HN 0.838 nan 8.150 nan 0.000 0.496 397 P HA 0.246 nan 4.420 nan 0.000 0.218 397 P C -0.749 176.242 177.300 -0.514 0.000 1.793 397 P CA 0.161 62.972 63.100 -0.481 0.000 0.941 397 P CB -0.547 30.685 31.700 -0.779 0.000 1.919 398 C N 2.036 121.131 119.300 -0.341 0.000 2.891 398 C HA 0.611 5.071 4.460 -0.000 0.000 0.342 398 C C -0.955 173.998 174.990 -0.061 0.000 1.126 398 C CA -0.241 58.642 59.018 -0.226 0.000 1.322 398 C CB 0.530 28.068 27.740 -0.337 0.000 1.763 398 C HN 0.569 nan 8.230 nan 0.000 0.491 399 R N 4.025 124.522 120.500 -0.006 0.000 1.210 399 R HA -0.093 4.246 4.340 -0.000 0.000 0.422 399 R C 0.692 177.015 176.300 0.039 0.000 1.319 399 R CA 0.602 56.714 56.100 0.021 0.000 0.951 399 R CB -1.363 28.948 30.300 0.019 0.000 3.017 399 R HN 0.916 nan 8.270 nan 0.000 0.506 400 S N 1.711 117.435 115.700 0.040 0.000 2.469 400 S HA -0.162 4.308 4.470 -0.000 0.000 0.238 400 S C 1.666 176.291 174.600 0.043 0.000 0.998 400 S CA 1.373 59.601 58.200 0.047 0.000 0.957 400 S CB -0.076 63.149 63.200 0.043 0.000 0.764 400 S HN 0.716 nan 8.310 nan 0.000 0.514 401 E N 1.364 121.587 120.200 0.038 0.000 2.409 401 E HA -0.118 4.231 4.350 -0.000 0.000 0.198 401 E C 1.398 178.016 176.600 0.031 0.000 1.024 401 E CA 0.599 57.019 56.400 0.034 0.000 0.861 401 E CB -0.043 29.677 29.700 0.032 0.000 0.788 401 E HN 0.365 nan 8.360 nan 0.000 0.521 402 R N 0.436 120.963 120.500 0.044 0.000 2.087 402 R HA 0.246 4.586 4.340 -0.000 0.000 0.213 402 R C 2.691 178.994 176.300 0.005 0.000 1.137 402 R CA 0.338 56.451 56.100 0.022 0.000 1.022 402 R CB -0.870 29.511 30.300 0.135 0.000 0.920 402 R HN 0.186 nan 8.270 nan 0.000 0.451 403 L N 1.345 122.647 121.223 0.132 0.000 2.191 403 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 403 L C 2.537 179.475 176.870 0.112 0.000 1.103 403 L CA 1.250 56.211 54.840 0.202 0.000 0.769 403 L CB -0.631 41.519 42.059 0.151 0.000 0.908 403 L HN 0.138 nan 8.230 nan 0.000 0.438 404 A N -0.031 122.817 122.820 0.047 0.000 1.940 404 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 404 A C 2.293 179.877 177.584 0.000 0.000 1.176 404 A CA 1.756 53.812 52.037 0.031 0.000 0.631 404 A CB -0.269 18.744 19.000 0.023 0.000 0.814 404 A HN 0.224 nan 8.150 nan 0.000 0.446 405 K N -1.067 119.282 120.400 -0.086 0.000 2.031 405 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 405 K C 1.685 178.217 176.600 -0.113 0.000 1.049 405 K CA 1.426 57.613 56.287 -0.167 0.000 0.939 405 K CB -0.608 31.688 32.500 -0.340 0.000 0.717 405 K HN 0.549 nan 8.250 nan 0.000 0.438 406 Y N 1.541 121.905 120.300 0.106 0.000 2.224 406 Y HA -0.146 4.403 4.550 -0.000 0.000 0.289 406 Y C 1.860 177.879 175.900 0.198 0.000 1.146 406 Y CA 0.955 59.185 58.100 0.217 0.000 1.182 406 Y CB -0.611 38.001 38.460 0.254 0.000 0.983 406 Y HN 0.125 nan 8.280 nan 0.000 0.524 407 N N 0.002 118.855 118.700 0.254 0.000 2.120 407 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 407 N C 1.906 177.480 175.510 0.107 0.000 1.024 407 N CA 1.373 54.524 53.050 0.170 0.000 0.852 407 N CB -0.503 38.053 38.487 0.116 0.000 1.003 407 N HN 0.361 nan 8.380 nan 0.000 0.424 408 Q N 0.963 120.799 119.800 0.059 0.000 2.084 408 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 408 Q C 2.008 177.981 176.000 -0.044 0.000 0.978 408 Q CA 1.110 56.920 55.803 0.011 0.000 0.844 408 Q CB -0.390 28.342 28.738 -0.010 0.000 0.898 408 Q HN 0.367 nan 8.270 nan 0.000 0.426 409 L N -0.391 120.776 121.223 -0.094 0.000 2.083 409 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 409 L C 2.286 178.998 176.870 -0.264 0.000 1.083 409 L CA 0.879 55.510 54.840 -0.348 0.000 0.752 409 L CB -0.389 41.243 42.059 -0.712 0.000 0.899 409 L HN 0.289 nan 8.230 nan 0.000 0.433 410 L N -0.804 120.452 121.223 0.055 0.000 2.046 410 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 410 L C 2.815 179.714 176.870 0.048 0.000 1.077 410 L CA 1.251 56.185 54.840 0.156 0.000 0.747 410 L CB -0.427 41.755 42.059 0.205 0.000 0.896 410 L HN 0.208 nan 8.230 nan 0.000 0.432 411 R N -0.086 120.430 120.500 0.027 0.000 2.092 411 R HA -0.104 4.235 4.340 -0.000 0.000 0.231 411 R C 2.254 178.553 176.300 -0.002 0.000 1.119 411 R CA 1.216 57.329 56.100 0.023 0.000 0.970 411 R CB -0.320 30.001 30.300 0.035 0.000 0.864 411 R HN 0.349 nan 8.270 nan 0.000 0.440 412 I N 0.606 121.136 120.570 -0.066 0.000 2.252 412 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 412 I C 2.597 178.610 176.117 -0.174 0.000 1.102 412 I CA 1.248 62.459 61.300 -0.149 0.000 1.385 412 I CB -0.274 37.522 38.000 -0.340 0.000 1.064 412 I HN 0.270 nan 8.210 nan 0.000 0.414 413 E N 1.243 121.354 120.200 -0.149 0.000 2.051 413 E HA -0.309 4.041 4.350 -0.000 0.000 0.192 413 E C 2.130 178.715 176.600 -0.026 0.000 0.991 413 E CA 1.597 57.947 56.400 -0.084 0.000 0.799 413 E CB -0.061 29.631 29.700 -0.013 0.000 0.748 413 E HN 0.435 nan 8.360 nan 0.000 0.449 414 E N 0.516 120.715 120.200 -0.001 0.000 2.058 414 E HA -0.297 4.052 4.350 -0.000 0.000 0.194 414 E C 2.081 178.694 176.600 0.022 0.000 0.997 414 E CA 1.605 58.015 56.400 0.017 0.000 0.801 414 E CB -0.125 29.591 29.700 0.027 0.000 0.746 414 E HN 0.346 nan 8.360 nan 0.000 0.450 415 E N 0.171 120.389 120.200 0.030 0.000 2.153 415 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 415 E C 2.207 178.844 176.600 0.061 0.000 0.988 415 E CA 0.749 57.185 56.400 0.061 0.000 0.811 415 E CB -0.043 29.726 29.700 0.114 0.000 0.746 415 E HN 0.360 nan 8.360 nan 0.000 0.466 416 L N 0.087 121.324 121.223 0.025 0.000 2.291 416 L HA 0.028 4.368 4.340 -0.000 0.000 0.214 416 L C 1.516 178.400 176.870 0.024 0.000 1.120 416 L CA 0.433 55.285 54.840 0.021 0.000 0.799 416 L CB -0.776 41.256 42.059 -0.044 0.000 0.925 416 L HN 0.394 nan 8.230 nan 0.000 0.446 417 G N 0.348 109.160 108.800 0.020 0.000 2.569 417 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.259 417 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.259 417 G C 0.883 175.795 174.900 0.019 0.000 1.263 417 G CA 0.466 45.579 45.100 0.021 0.000 0.928 417 G HN 0.366 nan 8.290 nan 0.000 0.572 418 S N -0.377 115.336 115.700 0.021 0.000 2.419 418 S HA -0.071 4.399 4.470 -0.000 0.000 0.235 418 S C 1.824 176.439 174.600 0.024 0.000 1.019 418 S CA 1.970 60.182 58.200 0.021 0.000 0.982 418 S CB -0.080 63.132 63.200 0.020 0.000 0.789 418 S HN 0.636 nan 8.310 nan 0.000 0.490 419 K N 2.001 122.416 120.400 0.025 0.000 2.487 419 K HA 0.385 4.705 4.320 -0.000 0.000 0.192 419 K C 0.741 177.358 176.600 0.028 0.000 1.027 419 K CA 0.446 56.749 56.287 0.027 0.000 1.054 419 K CB -0.781 31.736 32.500 0.028 0.000 0.824 419 K HN 0.541 nan 8.250 nan 0.000 0.510 420 A N 2.052 124.887 122.820 0.025 0.000 2.548 420 A HA 0.020 4.339 4.320 -0.000 0.000 0.247 420 A C -0.082 177.534 177.584 0.054 0.000 1.067 420 A CA 0.404 52.454 52.037 0.022 0.000 0.757 420 A CB -0.057 18.950 19.000 0.012 0.000 0.996 420 A HN 0.125 nan 8.150 nan 0.000 0.504 421 K N 0.954 121.389 120.400 0.059 0.000 2.123 421 K HA 0.566 4.885 4.320 -0.000 0.000 0.259 421 K C -1.178 175.529 176.600 0.179 0.000 0.960 421 K CA -0.267 56.079 56.287 0.098 0.000 0.872 421 K CB 1.639 34.173 32.500 0.056 0.000 1.079 421 K HN 0.593 nan 8.250 nan 0.000 0.440 422 F N 1.318 121.287 119.950 0.031 0.000 2.493 422 F HA 0.392 4.919 4.527 -0.000 0.000 0.329 422 F C 0.702 176.539 175.800 0.061 0.000 1.126 422 F CA -0.709 57.324 58.000 0.056 0.000 0.937 422 F CB 1.368 40.414 39.000 0.076 0.000 1.146 422 F HN 0.670 nan 8.300 nan 0.000 0.442 423 A N 4.798 127.307 122.820 -0.519 0.000 1.892 423 A HA 0.191 4.511 4.320 -0.000 0.000 0.218 423 A C 1.984 179.301 177.584 -0.444 0.000 1.188 423 A CA 1.909 53.699 52.037 -0.412 0.000 0.631 423 A CB -1.604 17.215 19.000 -0.302 0.000 0.822 423 A HN 1.915 nan 8.150 nan 0.000 0.447 424 G N -0.897 107.316 108.800 -0.979 0.000 2.634 424 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.309 424 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.309 424 G C 0.912 175.798 174.900 -0.023 0.000 1.265 424 G CA 0.680 45.572 45.100 -0.348 0.000 0.998 424 G HN 0.597 nan 8.290 nan 0.000 0.551 425 R N 1.162 121.712 120.500 0.084 0.000 2.285 425 R HA -0.008 4.332 4.340 -0.000 0.000 0.213 425 R C 1.196 177.606 176.300 0.184 0.000 1.068 425 R CA 1.008 57.219 56.100 0.186 0.000 1.004 425 R CB -0.275 30.098 30.300 0.121 0.000 0.873 425 R HN 0.428 nan 8.270 nan 0.000 0.467 426 N N 1.132 119.875 118.700 0.072 0.000 2.295 426 N HA -0.017 4.722 4.740 -0.000 0.000 0.221 426 N C 0.971 176.428 175.510 -0.089 0.000 1.129 426 N CA 0.000 53.028 53.050 -0.037 0.000 0.836 426 N CB 0.100 38.562 38.487 -0.041 0.000 1.040 426 N HN 0.243 nan 8.380 nan 0.000 0.494 427 F N 0.924 120.803 119.950 -0.118 0.000 2.202 427 F HA -0.021 4.506 4.527 -0.000 0.000 0.301 427 F C 1.999 177.757 175.800 -0.069 0.000 1.082 427 F CA 0.814 58.741 58.000 -0.121 0.000 1.313 427 F CB -0.490 38.433 39.000 -0.129 0.000 1.024 427 F HN -0.117 nan 8.300 nan 0.000 0.495 428 R N 0.401 120.250 120.500 -1.085 0.000 2.120 428 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 428 R C 0.046 176.176 176.300 -0.284 0.000 1.123 428 R CA 1.515 57.203 56.100 -0.686 0.000 0.975 428 R CB -0.542 29.335 30.300 -0.706 0.000 0.866 428 R HN 0.406 nan 8.270 nan 0.000 0.446 429 N N -1.020 117.546 118.700 -0.224 0.000 2.976 429 N HA 0.084 4.823 4.740 -0.000 0.000 0.220 429 N C -2.404 173.054 175.510 -0.086 0.000 1.428 429 N CA -0.897 52.087 53.050 -0.111 0.000 0.748 429 N CB 1.229 39.667 38.487 -0.083 0.000 1.484 429 N HN -0.213 nan 8.380 nan 0.000 0.578 430 P HA -0.117 nan 4.420 nan 0.000 0.234 430 P C 0.419 177.698 177.300 -0.035 0.000 1.162 430 P CA 0.703 63.771 63.100 -0.053 0.000 0.759 430 P CB 0.433 32.103 31.700 -0.050 0.000 0.813 431 L N -0.583 120.620 121.223 -0.033 0.000 2.437 431 L HA 0.469 4.809 4.340 -0.000 0.000 0.199 431 L C 1.248 178.106 176.870 -0.021 0.000 1.270 431 L CA 0.151 54.978 54.840 -0.022 0.000 2.819 431 L CB -1.518 40.530 42.059 -0.018 0.000 2.667 431 L HN -0.041 nan 8.230 nan 0.000 1.109 432 A N 0.000 122.809 122.820 -0.019 0.000 2.254 432 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 432 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 432 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 432 A HN 0.000 nan 8.150 nan 0.000 0.486