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 2acw_1_B DATA FIRST_RESID 8 DATA SEQUENCE KNSELIFIPA PGIGHLASAL EFAKLLTNHD KNLYITVFCI KFPGMPFADS DATA SEQUENCE YIKSVLASQP QIQLIDLPEV EPPPQELLKS PEFYILTFLE SLIPHVKATI DATA SEQUENCE KTILSNKVVG LVLDFFCVSM IDVGNEFGIP SYLFLTSNVG FLSLMLSLKN DATA SEQUENCE RQIEEVFDDS DRDHQLLNIP GISNQVPSNV LPDACFNKDG GYIAYYKLAE DATA SEQUENCE RFRDTKGIIV NTFSDLEQSS IDALYDHDEK IPPIYAVGPL LDLKGQPNPK DATA SEQUENCE LDQAQHDLIL KWLDEQPDKS VVFLCFGSMG VSFGPSQIRE IALGLKHSGV DATA SEQUENCE RFLWSNSAEK KVFPEGFLEW MELEGKGMIC GWAPQVEVLA HKAIGGFVSH DATA SEQUENCE CGWNSILESM WFGVPILTWP IYAEQQLNAF RLVKEWGVGL GLRVDYRKGS DATA SEQUENCE DVVAAEEIEK GLKDLMDKDS IVHKKVQEMK EMSRNAVVDG GSSLISVGKL DATA SEQUENCE IDDITG 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.616 176.600 0.026 0.000 0.988 8 K CA 0.000 56.296 56.287 0.015 0.000 0.838 8 K CB 0.000 32.511 32.500 0.018 0.000 1.064 9 N N 1.117 119.827 118.700 0.018 0.000 2.520 9 N HA 0.254 4.432 4.740 -0.936 0.000 0.273 9 N C -0.841 174.687 175.510 0.031 0.000 1.155 9 N CA 0.345 53.416 53.050 0.034 0.000 0.967 9 N CB 1.188 39.648 38.487 -0.045 0.000 1.092 9 N HN 0.026 nan 8.380 nan 0.000 0.457 10 S N 0.678 116.419 115.700 0.068 0.000 2.526 10 S HA 0.381 4.289 4.470 -0.936 0.000 0.293 10 S C -0.735 173.903 174.600 0.063 0.000 1.092 10 S CA -0.775 57.452 58.200 0.044 0.000 0.980 10 S CB 1.914 65.131 63.200 0.028 0.000 1.048 10 S HN 0.511 nan 8.310 nan 0.000 0.483 11 E N 2.133 122.354 120.200 0.034 0.000 2.234 11 E HA 0.591 4.380 4.350 -0.936 0.000 0.266 11 E C -1.626 174.985 176.600 0.020 0.000 0.877 11 E CA -0.509 55.911 56.400 0.035 0.000 0.758 11 E CB 1.070 30.778 29.700 0.014 0.000 1.170 11 E HN 0.471 nan 8.360 nan 0.000 0.415 12 L N 4.950 126.180 121.223 0.011 0.000 2.346 12 L HA 0.536 4.315 4.340 -0.936 0.000 0.276 12 L C -0.544 176.361 176.870 0.057 0.000 1.006 12 L CA -0.832 54.035 54.840 0.046 0.000 0.817 12 L CB 1.729 43.836 42.059 0.080 0.000 1.272 12 L HN 0.530 nan 8.230 nan 0.000 0.421 13 I N 2.578 123.180 120.570 0.053 0.000 2.331 13 I HA 0.263 3.872 4.170 -0.936 0.000 0.292 13 I C -0.913 175.265 176.117 0.101 0.000 0.998 13 I CA -0.281 60.990 61.300 -0.047 0.000 1.267 13 I CB 1.100 38.933 38.000 -0.277 0.000 1.386 13 I HN 0.306 nan 8.210 nan 0.000 0.476 14 F N 6.920 126.751 119.950 -0.199 0.000 2.411 14 F HA 0.481 4.448 4.527 -0.933 0.000 0.352 14 F C 0.219 175.952 175.800 -0.111 0.000 1.123 14 F CA -0.815 57.117 58.000 -0.114 0.000 1.044 14 F CB 1.173 40.137 39.000 -0.059 0.000 1.135 14 F HN 0.218 nan 8.300 nan 0.000 0.461 15 I N 7.134 127.711 120.570 0.012 0.000 2.555 15 I HA 0.238 3.846 4.170 -0.936 0.000 0.275 15 I C -2.245 173.945 176.117 0.121 0.000 1.082 15 I CA -1.735 59.602 61.300 0.061 0.000 1.167 15 I CB 0.814 38.807 38.000 -0.011 0.000 1.312 15 I HN 0.301 nan 8.210 nan 0.000 0.493 16 P HA 0.338 nan 4.420 nan 0.000 0.279 16 P C -0.552 176.898 177.300 0.251 0.000 1.282 16 P CA -0.391 62.857 63.100 0.247 0.000 0.788 16 P CB 1.272 33.152 31.700 0.301 0.000 1.139 17 A N 0.247 123.239 122.820 0.286 0.000 2.295 17 A HA 0.641 4.400 4.320 -0.936 0.000 0.318 17 A C -2.379 175.375 177.584 0.284 0.000 1.134 17 A CA -1.864 50.305 52.037 0.221 0.000 0.827 17 A CB -0.686 18.364 19.000 0.083 0.000 1.136 17 A HN 0.349 nan 8.150 nan 0.000 0.493 18 P HA 0.480 nan 4.420 nan 0.000 0.271 18 P C 0.474 177.954 177.300 0.299 0.000 1.220 18 P CA 1.001 64.334 63.100 0.388 0.000 0.768 18 P CB 0.993 33.044 31.700 0.585 0.000 0.848 19 G N 1.311 110.258 108.800 0.245 0.000 2.350 19 G HA2 0.109 3.508 3.960 -0.936 0.000 0.276 19 G HA3 0.109 3.508 3.960 -0.936 0.000 0.276 19 G C -0.276 174.793 174.900 0.282 0.000 1.313 19 G CA -0.596 44.594 45.100 0.150 0.000 0.903 19 G HN 0.265 nan 8.290 nan 0.000 0.490 20 I N 0.718 121.451 120.570 0.272 0.000 2.900 20 I HA 0.308 3.916 4.170 -0.936 0.000 0.251 20 I C 2.665 178.977 176.117 0.326 0.000 1.102 20 I CA 1.363 62.850 61.300 0.311 0.000 1.457 20 I CB -0.326 37.872 38.000 0.329 0.000 1.285 20 I HN 0.686 nan 8.210 nan 0.000 0.459 21 G N -0.324 108.664 108.800 0.313 0.000 3.234 21 G HA2 -0.045 3.354 3.960 -0.936 0.000 0.221 21 G HA3 -0.045 3.354 3.960 -0.936 0.000 0.221 21 G C 0.946 175.926 174.900 0.135 0.000 1.229 21 G CA 0.323 45.564 45.100 0.234 0.000 0.909 21 G HN 0.405 nan 8.290 nan 0.000 0.510 22 H N -1.506 117.760 119.070 0.327 0.000 3.794 22 H HA 0.223 4.217 4.556 -0.937 0.000 0.258 22 H C 1.628 177.187 175.328 0.384 0.000 1.120 22 H CA -0.285 55.979 56.048 0.361 0.000 1.166 22 H CB 0.630 30.606 29.762 0.357 0.000 1.517 22 H HN 0.318 nan 8.280 nan 0.000 0.615 23 L N 0.021 121.532 121.223 0.480 0.000 2.362 23 L HA 0.236 4.015 4.340 -0.936 0.000 0.204 23 L C 2.445 179.569 176.870 0.423 0.000 1.060 23 L CA 0.989 56.096 54.840 0.445 0.000 0.827 23 L CB -0.082 42.262 42.059 0.476 0.000 1.027 23 L HN 0.103 nan 8.230 nan 0.000 0.474 24 A N 0.579 123.692 122.820 0.488 0.000 1.834 24 A HA -0.280 3.479 4.320 -0.936 0.000 0.216 24 A C 2.381 180.155 177.584 0.316 0.000 1.203 24 A CA 2.572 54.873 52.037 0.439 0.000 0.621 24 A CB -1.190 18.079 19.000 0.449 0.000 0.841 24 A HN 0.586 nan 8.150 nan 0.000 0.446 25 S N 0.408 116.306 115.700 0.330 0.000 2.420 25 S HA -0.102 3.807 4.470 -0.936 0.000 0.237 25 S C 2.003 176.860 174.600 0.428 0.000 1.023 25 S CA 1.675 60.092 58.200 0.361 0.000 0.991 25 S CB -0.852 62.570 63.200 0.371 0.000 0.792 25 S HN 1.031 nan 8.310 nan 0.000 0.488 26 A N 2.308 125.366 122.820 0.396 0.000 1.877 26 A HA 0.093 3.852 4.320 -0.936 0.000 0.216 26 A C 2.311 180.036 177.584 0.234 0.000 1.186 26 A CA 1.593 53.760 52.037 0.218 0.000 0.620 26 A CB -0.872 18.300 19.000 0.287 0.000 0.822 26 A HN 0.534 nan 8.150 nan 0.000 0.443 27 L N -0.721 120.610 121.223 0.181 0.000 2.093 27 L HA -0.128 3.650 4.340 -0.936 0.000 0.208 27 L C 2.484 179.383 176.870 0.049 0.000 1.085 27 L CA 1.188 56.064 54.840 0.061 0.000 0.755 27 L CB -0.575 41.478 42.059 -0.010 0.000 0.904 27 L HN 0.229 nan 8.230 nan 0.000 0.435 28 E N -0.153 120.121 120.200 0.123 0.000 2.153 28 E HA -0.214 3.574 4.350 -0.936 0.000 0.194 28 E C 2.032 178.732 176.600 0.166 0.000 0.988 28 E CA 1.150 57.618 56.400 0.114 0.000 0.811 28 E CB -0.245 29.540 29.700 0.142 0.000 0.746 28 E HN 0.404 nan 8.360 nan 0.000 0.466 29 F N 1.256 121.245 119.950 0.065 0.000 2.206 29 F HA -0.030 3.936 4.527 -0.934 0.000 0.298 29 F C 2.130 177.938 175.800 0.013 0.000 1.090 29 F CA 1.079 59.120 58.000 0.068 0.000 1.323 29 F CB -0.500 38.471 39.000 -0.048 0.000 1.028 29 F HN -0.035 nan 8.300 nan 0.000 0.492 30 A N 0.678 123.389 122.820 -0.182 0.000 1.877 30 A HA -0.214 3.545 4.320 -0.936 0.000 0.216 30 A C 2.313 179.676 177.584 -0.368 0.000 1.186 30 A CA 1.924 53.656 52.037 -0.508 0.000 0.620 30 A CB -0.708 17.978 19.000 -0.523 0.000 0.822 30 A HN 0.431 nan 8.150 nan 0.000 0.443 31 K N -0.914 119.357 120.400 -0.216 0.000 2.097 31 K HA -0.116 3.642 4.320 -0.936 0.000 0.206 31 K C 1.919 178.419 176.600 -0.168 0.000 1.049 31 K CA 1.331 57.510 56.287 -0.179 0.000 0.933 31 K CB -0.403 32.029 32.500 -0.114 0.000 0.717 31 K HN 0.398 nan 8.250 nan 0.000 0.442 32 L N 1.135 122.292 121.223 -0.110 0.000 2.046 32 L HA -0.165 3.614 4.340 -0.936 0.000 0.208 32 L C 1.928 178.774 176.870 -0.040 0.000 1.077 32 L CA 1.501 56.330 54.840 -0.019 0.000 0.747 32 L CB -0.362 41.767 42.059 0.117 0.000 0.896 32 L HN 0.032 nan 8.230 nan 0.000 0.432 33 L N -0.615 120.468 121.223 -0.234 0.000 2.023 33 L HA -0.128 3.651 4.340 -0.936 0.000 0.205 33 L C 2.725 179.471 176.870 -0.207 0.000 1.073 33 L CA 2.280 56.974 54.840 -0.243 0.000 0.745 33 L CB -1.616 40.157 42.059 -0.476 0.000 0.900 33 L HN 0.542 nan 8.230 nan 0.000 0.435 34 T N -3.231 111.154 114.554 -0.283 0.000 2.881 34 T HA -0.148 3.640 4.350 -0.936 0.000 0.270 34 T C 1.674 176.219 174.700 -0.258 0.000 1.068 34 T CA 1.242 63.173 62.100 -0.283 0.000 1.131 34 T CB -0.462 68.209 68.868 -0.328 0.000 0.871 34 T HN 0.190 nan 8.240 nan 0.000 0.479 35 N N 1.190 119.721 118.700 -0.281 0.000 2.459 35 N HA -0.053 4.125 4.740 -0.936 0.000 0.181 35 N C 1.064 176.277 175.510 -0.495 0.000 1.046 35 N CA 0.805 53.623 53.050 -0.386 0.000 0.904 35 N CB -0.278 37.932 38.487 -0.462 0.000 0.964 35 N HN 0.602 nan 8.380 nan 0.000 0.444 36 H N -1.122 117.887 119.070 -0.102 0.000 2.505 36 H HA 0.241 4.235 4.556 -0.936 0.000 0.286 36 H C -0.527 174.756 175.328 -0.075 0.000 1.072 36 H CA 0.027 56.032 56.048 -0.072 0.000 1.141 36 H CB 0.665 30.397 29.762 -0.050 0.000 1.550 36 H HN 0.061 nan 8.280 nan 0.000 0.547 37 D N 0.565 120.938 120.400 -0.045 0.000 2.362 37 D HA 0.038 4.116 4.640 -0.936 0.000 0.228 37 D C 0.915 177.153 176.300 -0.103 0.000 1.326 37 D CA -0.349 53.620 54.000 -0.051 0.000 0.927 37 D CB 0.693 41.468 40.800 -0.042 0.000 1.501 37 D HN -0.214 nan 8.370 nan 0.000 0.519 38 K N 1.413 121.759 120.400 -0.089 0.000 2.173 38 K HA -0.136 3.623 4.320 -0.936 0.000 0.207 38 K C 0.762 177.310 176.600 -0.087 0.000 1.046 38 K CA 1.000 57.222 56.287 -0.108 0.000 0.929 38 K CB -0.178 32.287 32.500 -0.058 0.000 0.720 38 K HN 0.518 nan 8.250 nan 0.000 0.453 39 N N 0.509 119.200 118.700 -0.016 0.000 2.383 39 N HA -0.004 4.174 4.740 -0.936 0.000 0.192 39 N C -0.341 175.236 175.510 0.111 0.000 1.141 39 N CA -0.305 52.796 53.050 0.086 0.000 0.851 39 N CB 0.175 38.701 38.487 0.066 0.000 0.976 39 N HN -0.042 nan 8.380 nan 0.000 0.465 40 L N 1.177 122.376 121.223 -0.041 0.000 2.272 40 L HA 0.363 4.141 4.340 -0.936 0.000 0.289 40 L C -1.401 175.365 176.870 -0.174 0.000 1.032 40 L CA -0.646 54.166 54.840 -0.047 0.000 0.810 40 L CB 0.160 42.153 42.059 -0.111 0.000 1.205 40 L HN -0.060 nan 8.230 nan 0.000 0.422 41 Y N 5.159 125.392 120.300 -0.112 0.000 2.409 41 Y HA 0.662 4.650 4.550 -0.936 0.000 0.339 41 Y C -0.135 175.671 175.900 -0.157 0.000 1.033 41 Y CA -0.668 57.357 58.100 -0.126 0.000 1.094 41 Y CB 1.758 40.165 38.460 -0.089 0.000 1.210 41 Y HN 0.390 nan 8.280 nan 0.000 0.456 42 I N 2.141 122.656 120.570 -0.092 0.000 2.498 42 I HA 0.381 3.990 4.170 -0.936 0.000 0.290 42 I C -0.783 175.257 176.117 -0.128 0.000 1.032 42 I CA -0.681 60.495 61.300 -0.206 0.000 1.073 42 I CB 2.239 39.922 38.000 -0.527 0.000 1.251 42 I HN 0.507 nan 8.210 nan 0.000 0.426 43 T N 5.233 119.754 114.554 -0.055 0.000 2.771 43 T HA 0.472 4.260 4.350 -0.936 0.000 0.281 43 T C -0.267 174.491 174.700 0.098 0.000 0.982 43 T CA -0.468 61.666 62.100 0.057 0.000 0.978 43 T CB 1.780 70.743 68.868 0.159 0.000 0.930 43 T HN 0.186 nan 8.240 nan 0.000 0.447 44 V N 4.450 124.451 119.914 0.146 0.000 2.384 44 V HA 0.384 3.943 4.120 -0.936 0.000 0.287 44 V C -0.645 175.686 176.094 0.395 0.000 1.020 44 V CA -0.905 61.530 62.300 0.225 0.000 0.850 44 V CB 0.823 32.721 31.823 0.126 0.000 0.987 44 V HN 0.740 nan 8.190 nan 0.000 0.436 45 F N 3.774 123.786 119.950 0.103 0.000 2.464 45 F HA 0.240 4.205 4.527 -0.936 0.000 0.353 45 F C 0.826 176.681 175.800 0.092 0.000 1.191 45 F CA -1.013 57.033 58.000 0.077 0.000 1.147 45 F CB 0.458 39.502 39.000 0.074 0.000 1.294 45 F HN 0.509 nan 8.300 nan 0.000 0.583 46 C N 7.150 126.574 119.300 0.207 0.000 2.555 46 C HA 0.480 4.379 4.460 -0.936 0.000 0.385 46 C C 0.351 175.431 174.990 0.150 0.000 1.296 46 C CA -0.656 58.465 59.018 0.172 0.000 1.757 46 C CB -1.774 26.039 27.740 0.121 0.000 2.445 46 C HN 0.577 nan 8.230 nan 0.000 0.571 47 I N 6.217 126.904 120.570 0.195 0.000 2.362 47 I HA 0.261 3.870 4.170 -0.936 0.000 0.289 47 I C -0.181 176.091 176.117 0.259 0.000 0.994 47 I CA -0.527 60.888 61.300 0.193 0.000 1.158 47 I CB 1.250 39.365 38.000 0.191 0.000 1.315 47 I HN 0.545 nan 8.210 nan 0.000 0.451 48 K N 6.021 126.567 120.400 0.244 0.000 2.363 48 K HA 0.129 3.888 4.320 -0.936 0.000 0.289 48 K C -0.439 176.345 176.600 0.307 0.000 1.063 48 K CA -0.018 56.425 56.287 0.259 0.000 0.967 48 K CB -0.119 32.492 32.500 0.184 0.000 0.987 48 K HN 0.280 nan 8.250 nan 0.000 0.473 49 F N 5.264 125.286 119.950 0.121 0.000 2.572 49 F HA 0.107 4.072 4.527 -0.937 0.000 0.370 49 F C -1.555 174.129 175.800 -0.192 0.000 1.103 49 F CA -1.989 55.977 58.000 -0.056 0.000 1.286 49 F CB 0.303 39.277 39.000 -0.042 0.000 1.105 49 F HN 0.550 nan 8.300 nan 0.000 0.583 50 P HA -0.121 nan 4.420 nan 0.000 0.158 50 P C 0.665 177.941 177.300 -0.039 0.000 0.792 50 P CA 1.985 64.791 63.100 -0.489 0.000 1.125 50 P CB -0.629 30.690 31.700 -0.634 0.000 1.321 51 G N 2.743 111.550 108.800 0.011 0.000 4.825 51 G HA2 -0.366 3.032 3.960 -0.936 0.000 0.224 51 G HA3 -0.366 3.032 3.960 -0.936 0.000 0.224 51 G C 0.406 175.374 174.900 0.114 0.000 1.356 51 G CA 0.283 45.422 45.100 0.066 0.000 0.966 51 G HN 0.420 nan 8.290 nan 0.000 0.690 52 M N 2.406 122.093 119.600 0.144 0.000 2.216 52 M HA 0.112 4.030 4.480 -0.936 0.000 0.328 52 M C -0.789 175.630 176.300 0.199 0.000 1.062 52 M CA -0.442 54.942 55.300 0.141 0.000 1.012 52 M CB -0.840 31.800 32.600 0.066 0.000 1.622 52 M HN 0.201 nan 8.290 nan 0.000 0.448 53 P HA 0.049 nan 4.420 nan 0.000 0.317 53 P C 0.101 177.671 177.300 0.450 0.000 1.427 53 P CA 0.129 63.392 63.100 0.272 0.000 0.820 53 P CB 0.129 31.929 31.700 0.166 0.000 1.894 54 F N -4.471 115.481 119.950 0.003 0.000 3.006 54 F HA -0.261 3.705 4.527 -0.934 0.000 0.289 54 F C 1.099 176.975 175.800 0.128 0.000 0.772 54 F CA 0.469 58.484 58.000 0.025 0.000 1.162 54 F CB -2.383 36.597 39.000 -0.033 0.000 1.382 54 F HN 0.132 nan 8.300 nan 0.000 0.406 55 A N -0.479 122.497 122.820 0.259 0.000 3.637 55 A HA 0.329 4.087 4.320 -0.936 0.000 0.192 55 A C 0.890 178.573 177.584 0.166 0.000 1.783 55 A CA 0.401 52.571 52.037 0.222 0.000 1.891 55 A CB -0.312 18.801 19.000 0.189 0.000 1.430 55 A HN 0.131 nan 8.150 nan 0.000 0.460 56 D N 0.368 120.837 120.400 0.115 0.000 2.597 56 D HA 0.192 4.270 4.640 -0.936 0.000 0.228 56 D C 0.688 177.022 176.300 0.056 0.000 1.120 56 D CA 0.920 54.964 54.000 0.074 0.000 1.083 56 D CB -0.055 40.775 40.800 0.050 0.000 1.116 56 D HN 0.445 nan 8.370 nan 0.000 0.487 57 S N 1.484 117.225 115.700 0.069 0.000 2.302 57 S HA -0.103 3.806 4.470 -0.936 0.000 0.258 57 S C 1.099 175.748 174.600 0.083 0.000 0.957 57 S CA -0.455 57.773 58.200 0.047 0.000 1.330 57 S CB -0.394 62.819 63.200 0.021 0.000 0.982 57 S HN 0.317 nan 8.310 nan 0.000 0.459 58 Y N 2.288 122.574 120.300 -0.024 0.000 2.422 58 Y HA 0.504 4.492 4.550 -0.936 0.000 0.291 58 Y C 1.782 177.697 175.900 0.025 0.000 1.144 58 Y CA 0.465 58.554 58.100 -0.017 0.000 1.208 58 Y CB -0.165 38.276 38.460 -0.032 0.000 1.195 58 Y HN 0.309 nan 8.280 nan 0.000 0.535 59 I N 0.603 121.124 120.570 -0.082 0.000 2.567 59 I HA -0.223 3.386 4.170 -0.936 0.000 0.257 59 I C 2.155 178.200 176.117 -0.119 0.000 1.184 59 I CA 1.627 62.840 61.300 -0.146 0.000 1.451 59 I CB -0.174 37.848 38.000 0.038 0.000 1.089 59 I HN 0.271 nan 8.210 nan 0.000 0.441 60 K N -0.037 120.323 120.400 -0.066 0.000 2.308 60 K HA -0.042 3.717 4.320 -0.936 0.000 0.197 60 K C 2.147 178.710 176.600 -0.062 0.000 1.049 60 K CA 0.953 57.210 56.287 -0.050 0.000 0.991 60 K CB 0.148 32.638 32.500 -0.016 0.000 0.836 60 K HN 0.400 nan 8.250 nan 0.000 0.500 61 S N 0.691 116.353 115.700 -0.065 0.000 2.357 61 S HA -0.117 3.791 4.470 -0.936 0.000 0.221 61 S C 2.086 176.640 174.600 -0.077 0.000 1.031 61 S CA 1.019 59.191 58.200 -0.046 0.000 0.982 61 S CB -0.855 62.346 63.200 0.001 0.000 0.853 61 S HN 0.203 nan 8.310 nan 0.000 0.458 62 V N -0.475 119.345 119.914 -0.157 0.000 3.026 62 V HA 0.212 3.770 4.120 -0.936 0.000 0.265 62 V C 1.191 177.212 176.094 -0.122 0.000 1.121 62 V CA 0.620 62.826 62.300 -0.158 0.000 1.142 62 V CB -1.123 30.525 31.823 -0.291 0.000 0.730 62 V HN 0.475 nan 8.190 nan 0.000 0.503 63 L N 2.657 123.811 121.223 -0.114 0.000 2.382 63 L HA 0.441 4.219 4.340 -0.936 0.000 0.259 63 L C 1.380 178.208 176.870 -0.070 0.000 1.291 63 L CA 0.700 55.485 54.840 -0.092 0.000 1.176 63 L CB -0.446 41.564 42.059 -0.080 0.000 1.373 63 L HN 0.447 nan 8.230 nan 0.000 0.426 64 A N 2.698 125.478 122.820 -0.068 0.000 2.626 64 A HA 0.056 3.815 4.320 -0.936 0.000 0.238 64 A C 1.472 179.023 177.584 -0.055 0.000 1.641 64 A CA 0.862 52.866 52.037 -0.055 0.000 1.449 64 A CB -0.643 18.325 19.000 -0.053 0.000 0.888 64 A HN 0.957 nan 8.150 nan 0.000 0.628 65 S N -0.713 114.955 115.700 -0.053 0.000 3.225 65 S HA -0.228 3.681 4.470 -0.936 0.000 0.308 65 S C 0.557 175.122 174.600 -0.058 0.000 1.270 65 S CA 1.198 59.370 58.200 -0.047 0.000 1.011 65 S CB -1.623 61.556 63.200 -0.036 0.000 1.138 65 S HN 0.802 nan 8.310 nan 0.000 0.661 66 Q N 0.278 120.031 119.800 -0.078 0.000 3.163 66 Q HA -0.100 3.679 4.340 -0.936 0.000 0.351 66 Q C -1.112 174.826 176.000 -0.104 0.000 1.102 66 Q CA 0.303 56.044 55.803 -0.103 0.000 1.201 66 Q CB 0.153 28.813 28.738 -0.129 0.000 0.958 66 Q HN 0.437 nan 8.270 nan 0.000 0.419 67 P HA -0.251 nan 4.420 nan 0.000 0.220 67 P C 0.633 177.881 177.300 -0.087 0.000 1.155 67 P CA 1.685 64.748 63.100 -0.061 0.000 0.880 67 P CB 0.209 31.870 31.700 -0.064 0.000 0.790 68 Q N -1.559 118.075 119.800 -0.277 0.000 2.425 68 Q HA 0.130 3.908 4.340 -0.936 0.000 0.204 68 Q C 0.415 176.264 176.000 -0.251 0.000 0.933 68 Q CA 0.225 55.720 55.803 -0.513 0.000 0.939 68 Q CB 0.081 28.371 28.738 -0.747 0.000 1.044 68 Q HN 0.332 nan 8.270 nan 0.000 0.513 69 I N 1.235 121.702 120.570 -0.172 0.000 2.355 69 I HA 0.214 3.823 4.170 -0.936 0.000 0.288 69 I C -0.323 175.749 176.117 -0.075 0.000 0.999 69 I CA -0.563 60.644 61.300 -0.155 0.000 1.163 69 I CB 1.405 39.287 38.000 -0.197 0.000 1.316 69 I HN 0.030 nan 8.210 nan 0.000 0.454 70 Q N 5.643 125.419 119.800 -0.038 0.000 2.257 70 Q HA 0.557 4.335 4.340 -0.936 0.000 0.262 70 Q C -1.693 174.311 176.000 0.007 0.000 0.997 70 Q CA -0.789 55.013 55.803 -0.002 0.000 0.873 70 Q CB 2.404 31.160 28.738 0.030 0.000 1.312 70 Q HN 0.450 nan 8.270 nan 0.000 0.450 71 L N 4.146 125.377 121.223 0.013 0.000 2.362 71 L HA 0.541 4.319 4.340 -0.936 0.000 0.275 71 L C -1.316 175.566 176.870 0.020 0.000 0.998 71 L CA -0.695 54.162 54.840 0.029 0.000 0.820 71 L CB 1.796 43.861 42.059 0.010 0.000 1.270 71 L HN 0.686 nan 8.230 nan 0.000 0.415 72 I N 3.472 124.060 120.570 0.029 0.000 2.499 72 I HA 0.300 3.908 4.170 -0.936 0.000 0.288 72 I C -0.558 175.503 176.117 -0.095 0.000 1.048 72 I CA -0.775 60.486 61.300 -0.064 0.000 1.062 72 I CB 2.036 39.939 38.000 -0.162 0.000 1.238 72 I HN 0.395 nan 8.210 nan 0.000 0.426 73 D N 6.603 126.944 120.400 -0.100 0.000 2.249 73 D HA 0.429 4.508 4.640 -0.936 0.000 0.246 73 D C 0.014 176.213 176.300 -0.168 0.000 1.114 73 D CA -0.144 53.805 54.000 -0.086 0.000 0.854 73 D CB 1.642 42.413 40.800 -0.048 0.000 1.132 73 D HN 0.280 nan 8.370 nan 0.000 0.461 74 L N 3.953 125.073 121.223 -0.171 0.000 2.326 74 L HA 0.319 4.097 4.340 -0.936 0.000 0.278 74 L C -1.891 174.826 176.870 -0.256 0.000 1.092 74 L CA -1.767 52.916 54.840 -0.262 0.000 0.810 74 L CB 0.634 42.574 42.059 -0.198 0.000 1.153 74 L HN 0.076 nan 8.230 nan 0.000 0.439 75 P HA -0.064 nan 4.420 nan 0.000 0.266 75 P C -0.372 176.818 177.300 -0.182 0.000 1.186 75 P CA 0.028 62.941 63.100 -0.311 0.000 0.767 75 P CB 0.495 31.925 31.700 -0.450 0.000 0.820 76 E N 1.036 121.211 120.200 -0.041 0.000 2.392 76 E HA 0.305 4.094 4.350 -0.936 0.000 0.259 76 E C -0.619 176.035 176.600 0.090 0.000 1.108 76 E CA -0.665 55.766 56.400 0.051 0.000 0.916 76 E CB 0.527 30.266 29.700 0.066 0.000 0.989 76 E HN 0.264 nan 8.360 nan 0.000 0.432 77 V N -0.368 119.639 119.914 0.154 0.000 3.078 77 V HA 0.392 3.950 4.120 -0.936 0.000 0.311 77 V C -0.733 175.457 176.094 0.159 0.000 1.138 77 V CA -1.136 61.255 62.300 0.151 0.000 1.007 77 V CB 1.869 33.764 31.823 0.120 0.000 1.045 77 V HN 0.608 nan 8.190 nan 0.000 0.432 78 E N 4.033 124.296 120.200 0.104 0.000 2.341 78 E HA 0.225 4.013 4.350 -0.936 0.000 0.256 78 E C -2.102 174.554 176.600 0.093 0.000 1.125 78 E CA -1.002 55.445 56.400 0.078 0.000 0.939 78 E CB 0.291 30.020 29.700 0.050 0.000 0.991 78 E HN 0.703 nan 8.360 nan 0.000 0.458 79 P HA 0.069 nan 4.420 nan 0.000 0.271 79 P C -2.298 174.990 177.300 -0.020 0.000 1.238 79 P CA -0.854 62.247 63.100 0.001 0.000 0.794 79 P CB -0.384 31.236 31.700 -0.133 0.000 0.959 80 P HA 0.068 nan 4.420 nan 0.000 0.270 80 P C -1.703 175.633 177.300 0.060 0.000 1.227 80 P CA -1.164 61.889 63.100 -0.079 0.000 0.788 80 P CB -1.074 30.466 31.700 -0.267 0.000 0.926 81 P HA -0.136 nan 4.420 nan 0.000 0.301 81 P C 0.701 178.076 177.300 0.126 0.000 1.445 81 P CA 0.459 63.617 63.100 0.097 0.000 0.741 81 P CB -0.329 31.421 31.700 0.084 0.000 1.426 82 Q N -0.215 119.702 119.800 0.196 0.000 2.275 82 Q HA -0.254 3.524 4.340 -0.936 0.000 0.219 82 Q C 1.193 177.252 176.000 0.099 0.000 0.822 82 Q CA 1.993 57.888 55.803 0.154 0.000 1.350 82 Q CB -1.617 27.166 28.738 0.074 0.000 1.868 82 Q HN 0.401 nan 8.270 nan 0.000 0.581 83 E N -1.283 118.994 120.200 0.128 0.000 2.201 83 E HA 0.075 3.864 4.350 -0.936 0.000 0.193 83 E C 0.935 177.606 176.600 0.118 0.000 0.957 83 E CA 0.766 57.221 56.400 0.092 0.000 0.858 83 E CB -0.103 29.645 29.700 0.080 0.000 0.816 83 E HN 0.429 nan 8.360 nan 0.000 0.475 84 L N 1.073 122.426 121.223 0.216 0.000 2.633 84 L HA 0.067 3.846 4.340 -0.936 0.000 0.235 84 L C 1.877 178.898 176.870 0.251 0.000 1.163 84 L CA 0.722 55.737 54.840 0.292 0.000 0.859 84 L CB -0.557 41.781 42.059 0.465 0.000 0.973 84 L HN 0.259 nan 8.230 nan 0.000 0.451 85 L N -0.697 120.587 121.223 0.102 0.000 2.447 85 L HA -0.240 3.539 4.340 -0.936 0.000 0.225 85 L C 2.274 179.130 176.870 -0.023 0.000 1.148 85 L CA 0.927 55.708 54.840 -0.100 0.000 0.808 85 L CB -0.277 41.655 42.059 -0.211 0.000 0.928 85 L HN 0.360 nan 8.230 nan 0.000 0.448 86 K N -0.849 119.569 120.400 0.029 0.000 2.152 86 K HA -0.127 3.632 4.320 -0.936 0.000 0.206 86 K C 0.919 177.548 176.600 0.048 0.000 1.048 86 K CA 0.890 57.191 56.287 0.024 0.000 0.933 86 K CB -0.013 32.498 32.500 0.020 0.000 0.721 86 K HN 0.069 nan 8.250 nan 0.000 0.447 87 S N -0.097 115.664 115.700 0.102 0.000 2.707 87 S HA 0.265 4.173 4.470 -0.936 0.000 0.312 87 S C -2.339 172.379 174.600 0.196 0.000 1.116 87 S CA -1.954 56.337 58.200 0.151 0.000 1.078 87 S CB 1.422 64.741 63.200 0.198 0.000 0.997 87 S HN -0.179 nan 8.310 nan 0.000 0.477 88 P HA -0.088 nan 4.420 nan 0.000 0.215 88 P C 1.047 178.465 177.300 0.196 0.000 1.157 88 P CA 1.078 64.262 63.100 0.140 0.000 0.868 88 P CB 0.226 31.999 31.700 0.123 0.000 0.788 89 E N -1.039 119.308 120.200 0.245 0.000 2.021 89 E HA -0.203 3.586 4.350 -0.936 0.000 0.200 89 E C 1.746 178.516 176.600 0.284 0.000 1.015 89 E CA 1.321 57.919 56.400 0.329 0.000 0.824 89 E CB -1.388 28.566 29.700 0.423 0.000 0.762 89 E HN 0.188 nan 8.360 nan 0.000 0.454 90 F N -0.452 119.609 119.950 0.185 0.000 2.494 90 F HA -0.166 3.793 4.527 -0.948 0.000 0.298 90 F C 1.917 177.803 175.800 0.143 0.000 1.106 90 F CA 0.842 58.937 58.000 0.158 0.000 1.452 90 F CB -0.028 39.055 39.000 0.137 0.000 1.085 90 F HN 0.091 nan 8.300 nan 0.000 0.569 91 Y N -0.001 120.359 120.300 0.100 0.000 2.176 91 Y HA -0.153 3.834 4.550 -0.938 0.000 0.291 91 Y C 2.201 178.051 175.900 -0.085 0.000 1.122 91 Y CA 1.500 59.607 58.100 0.012 0.000 1.128 91 Y CB -0.341 38.121 38.460 0.003 0.000 1.005 91 Y HN -0.092 nan 8.280 nan 0.000 0.509 92 I N 0.035 120.575 120.570 -0.051 0.000 2.142 92 I HA -0.263 3.345 4.170 -0.936 0.000 0.240 92 I C 2.426 178.443 176.117 -0.166 0.000 1.078 92 I CA 1.194 62.387 61.300 -0.178 0.000 1.343 92 I CB -1.605 36.135 38.000 -0.434 0.000 1.046 92 I HN 0.354 nan 8.210 nan 0.000 0.405 93 L N 0.853 121.983 121.223 -0.156 0.000 2.051 93 L HA -0.239 3.540 4.340 -0.936 0.000 0.214 93 L C 2.419 179.150 176.870 -0.231 0.000 1.076 93 L CA 2.207 56.965 54.840 -0.136 0.000 0.758 93 L CB -1.117 40.864 42.059 -0.130 0.000 0.890 93 L HN 0.216 nan 8.230 nan 0.000 0.433 94 T N -0.851 113.505 114.554 -0.331 0.000 2.770 94 T HA -0.155 3.633 4.350 -0.936 0.000 0.263 94 T C 1.594 176.171 174.700 -0.205 0.000 1.039 94 T CA 1.437 63.357 62.100 -0.299 0.000 1.142 94 T CB -0.566 68.111 68.868 -0.318 0.000 0.868 94 T HN 0.411 nan 8.240 nan 0.000 0.435 95 F N 2.013 121.729 119.950 -0.390 0.000 2.126 95 F HA -0.020 3.944 4.527 -0.938 0.000 0.299 95 F C 1.857 177.526 175.800 -0.219 0.000 1.096 95 F CA 1.037 58.822 58.000 -0.359 0.000 1.255 95 F CB -0.644 38.047 39.000 -0.515 0.000 0.997 95 F HN 0.043 nan 8.300 nan 0.000 0.479 96 L N 0.159 121.169 121.223 -0.355 0.000 2.027 96 L HA -0.197 3.581 4.340 -0.936 0.000 0.206 96 L C 2.422 179.131 176.870 -0.268 0.000 1.074 96 L CA 1.733 56.357 54.840 -0.360 0.000 0.745 96 L CB -0.820 41.154 42.059 -0.142 0.000 0.898 96 L HN 0.152 nan 8.230 nan 0.000 0.433 97 E N -0.205 119.880 120.200 -0.192 0.000 2.267 97 E HA -0.201 3.588 4.350 -0.936 0.000 0.197 97 E C 2.190 178.703 176.600 -0.146 0.000 0.998 97 E CA 1.411 57.729 56.400 -0.137 0.000 0.830 97 E CB -0.082 29.549 29.700 -0.116 0.000 0.751 97 E HN 0.538 nan 8.360 nan 0.000 0.491 98 S N 0.346 115.924 115.700 -0.204 0.000 2.489 98 S HA -0.012 3.897 4.470 -0.936 0.000 0.228 98 S C 1.731 176.221 174.600 -0.183 0.000 0.995 98 S CA 0.228 58.324 58.200 -0.175 0.000 0.934 98 S CB 0.106 63.205 63.200 -0.168 0.000 0.771 98 S HN 0.105 nan 8.310 nan 0.000 0.522 99 L N 1.446 122.521 121.223 -0.246 0.000 2.591 99 L HA 0.274 4.052 4.340 -0.936 0.000 0.228 99 L C 1.874 178.722 176.870 -0.037 0.000 1.133 99 L CA 0.339 55.086 54.840 -0.155 0.000 0.880 99 L CB -1.019 40.889 42.059 -0.251 0.000 1.033 99 L HN 0.339 nan 8.230 nan 0.000 0.450 100 I N 1.375 121.913 120.570 -0.054 0.000 2.099 100 I HA -0.219 3.390 4.170 -0.936 0.000 0.239 100 I C 0.085 176.212 176.117 0.016 0.000 1.066 100 I CA 1.697 62.994 61.300 -0.005 0.000 1.324 100 I CB -2.240 35.746 38.000 -0.024 0.000 1.037 100 I HN 0.168 nan 8.210 nan 0.000 0.401 101 P HA -0.176 nan 4.420 nan 0.000 0.216 101 P C 1.755 179.030 177.300 -0.042 0.000 1.154 101 P CA 1.621 64.676 63.100 -0.075 0.000 0.865 101 P CB -0.165 31.429 31.700 -0.177 0.000 0.789 102 H N -1.130 117.943 119.070 0.005 0.000 2.333 102 H HA -0.031 3.964 4.556 -0.936 0.000 0.302 102 H C 2.055 177.412 175.328 0.047 0.000 1.075 102 H CA 1.050 57.100 56.048 0.002 0.000 1.348 102 H CB -0.940 28.802 29.762 -0.034 0.000 1.393 102 H HN -0.104 nan 8.280 nan 0.000 0.509 103 V N 1.486 121.537 119.914 0.228 0.000 2.231 103 V HA -0.309 3.249 4.120 -0.936 0.000 0.248 103 V C 2.657 178.938 176.094 0.312 0.000 1.054 103 V CA 2.324 64.805 62.300 0.303 0.000 1.015 103 V CB -0.515 31.452 31.823 0.240 0.000 0.638 103 V HN 0.363 nan 8.190 nan 0.000 0.444 104 K N 0.206 120.757 120.400 0.252 0.000 2.020 104 K HA -0.255 3.503 4.320 -0.936 0.000 0.212 104 K C 2.226 179.014 176.600 0.314 0.000 1.050 104 K CA 1.923 58.415 56.287 0.341 0.000 0.929 104 K CB -0.498 32.141 32.500 0.231 0.000 0.714 104 K HN 0.399 nan 8.250 nan 0.000 0.443 105 A N 0.695 123.637 122.820 0.204 0.000 1.903 105 A HA -0.220 3.538 4.320 -0.936 0.000 0.219 105 A C 2.254 179.907 177.584 0.115 0.000 1.191 105 A CA 2.627 54.756 52.037 0.153 0.000 0.638 105 A CB -1.335 17.740 19.000 0.126 0.000 0.823 105 A HN 0.561 nan 8.150 nan 0.000 0.451 106 T N 0.143 114.755 114.554 0.098 0.000 2.788 106 T HA -0.063 3.725 4.350 -0.936 0.000 0.268 106 T C 1.802 176.556 174.700 0.090 0.000 1.044 106 T CA 1.441 63.542 62.100 0.002 0.000 1.139 106 T CB -0.403 68.306 68.868 -0.265 0.000 0.867 106 T HN 0.444 nan 8.240 nan 0.000 0.454 107 I N 0.927 121.593 120.570 0.159 0.000 2.179 107 I HA -0.171 3.438 4.170 -0.936 0.000 0.242 107 I C 2.643 178.560 176.117 -0.333 0.000 1.088 107 I CA 1.286 62.553 61.300 -0.055 0.000 1.357 107 I CB -0.365 37.491 38.000 -0.240 0.000 1.051 107 I HN 0.190 nan 8.210 nan 0.000 0.409 108 K N 0.811 121.008 120.400 -0.338 0.000 2.074 108 K HA -0.202 3.556 4.320 -0.936 0.000 0.209 108 K C 1.966 178.520 176.600 -0.077 0.000 1.048 108 K CA 2.017 58.183 56.287 -0.202 0.000 0.926 108 K CB -0.114 32.493 32.500 0.179 0.000 0.713 108 K HN 0.219 nan 8.250 nan 0.000 0.444 109 T N 1.156 115.692 114.554 -0.030 0.000 2.929 109 T HA -0.083 3.706 4.350 -0.936 0.000 0.271 109 T C 1.497 176.180 174.700 -0.028 0.000 1.085 109 T CA 1.415 63.505 62.100 -0.017 0.000 1.125 109 T CB -0.151 68.710 68.868 -0.011 0.000 0.874 109 T HN 0.552 nan 8.240 nan 0.000 0.494 110 I N -2.175 118.371 120.570 -0.039 0.000 4.147 110 I HA 0.444 4.053 4.170 -0.936 0.000 0.329 110 I C -0.045 176.039 176.117 -0.056 0.000 1.424 110 I CA -0.688 60.596 61.300 -0.028 0.000 1.127 110 I CB 0.151 38.162 38.000 0.018 0.000 1.128 110 I HN -0.066 nan 8.210 nan 0.000 0.417 111 L N 3.021 124.177 121.223 -0.111 0.000 2.455 111 L HA 0.430 4.208 4.340 -0.936 0.000 0.272 111 L C 0.316 177.148 176.870 -0.064 0.000 1.174 111 L CA 0.553 55.313 54.840 -0.134 0.000 0.869 111 L CB 0.636 42.547 42.059 -0.247 0.000 1.130 111 L HN 0.554 nan 8.230 nan 0.000 0.474 112 S N 2.547 118.219 115.700 -0.046 0.000 2.607 112 S HA 0.372 4.281 4.470 -0.936 0.000 0.273 112 S C 0.379 174.971 174.600 -0.013 0.000 1.148 112 S CA -0.320 57.865 58.200 -0.026 0.000 0.833 112 S CB 0.844 64.023 63.200 -0.034 0.000 1.130 112 S HN 0.775 nan 8.310 nan 0.000 0.470 113 N N 0.303 119.001 118.700 -0.004 0.000 2.666 113 N HA -0.045 4.134 4.740 -0.936 0.000 0.194 113 N C 0.931 176.443 175.510 0.003 0.000 1.220 113 N CA 0.088 53.142 53.050 0.006 0.000 0.928 113 N CB -0.246 38.245 38.487 0.008 0.000 0.997 113 N HN 0.533 nan 8.380 nan 0.000 0.447 114 K N 0.303 120.699 120.400 -0.008 0.000 2.352 114 K HA 0.137 3.896 4.320 -0.936 0.000 0.194 114 K C -0.058 176.543 176.600 0.001 0.000 1.038 114 K CA -0.094 56.188 56.287 -0.008 0.000 1.023 114 K CB 0.823 33.306 32.500 -0.029 0.000 0.840 114 K HN 0.014 nan 8.250 nan 0.000 0.519 115 V N 3.426 123.339 119.914 -0.002 0.000 2.409 115 V HA -0.057 3.501 4.120 -0.936 0.000 0.270 115 V C 1.151 177.261 176.094 0.027 0.000 1.019 115 V CA 0.349 62.651 62.300 0.003 0.000 1.066 115 V CB 0.570 32.382 31.823 -0.019 0.000 1.021 115 V HN 0.111 nan 8.190 nan 0.000 0.476 116 V N 2.255 122.192 119.914 0.038 0.000 3.647 116 V HA 0.729 4.288 4.120 -0.936 0.000 0.279 116 V C 0.821 176.978 176.094 0.105 0.000 1.314 116 V CA 0.532 62.869 62.300 0.062 0.000 1.125 116 V CB -0.577 31.277 31.823 0.052 0.000 0.907 116 V HN 1.033 nan 8.190 nan 0.000 0.434 117 G N -0.231 108.629 108.800 0.101 0.000 2.350 117 G HA2 0.360 3.759 3.960 -0.936 0.000 0.305 117 G HA3 0.360 3.759 3.960 -0.936 0.000 0.305 117 G C -1.636 173.338 174.900 0.124 0.000 1.479 117 G CA -0.970 44.225 45.100 0.158 0.000 0.949 117 G HN 0.196 nan 8.290 nan 0.000 0.651 118 L N 0.220 121.522 121.223 0.132 0.000 2.325 118 L HA 0.693 4.472 4.340 -0.936 0.000 0.278 118 L C -0.087 176.837 176.870 0.089 0.000 1.023 118 L CA -1.257 53.621 54.840 0.062 0.000 0.811 118 L CB 1.979 44.047 42.059 0.016 0.000 1.249 118 L HN 0.344 nan 8.230 nan 0.000 0.431 119 V N 4.819 124.722 119.914 -0.018 0.000 2.334 119 V HA 0.417 3.975 4.120 -0.936 0.000 0.281 119 V C 0.056 176.037 176.094 -0.189 0.000 1.016 119 V CA -0.347 61.858 62.300 -0.160 0.000 0.832 119 V CB 1.555 33.008 31.823 -0.616 0.000 0.999 119 V HN 0.496 nan 8.190 nan 0.000 0.439 120 L N 3.301 124.492 121.223 -0.054 0.000 2.334 120 L HA 0.590 4.369 4.340 -0.936 0.000 0.276 120 L C -0.057 176.858 176.870 0.075 0.000 1.014 120 L CA -0.690 54.147 54.840 -0.005 0.000 0.815 120 L CB 2.018 44.080 42.059 0.005 0.000 1.268 120 L HN 0.520 nan 8.230 nan 0.000 0.428 121 D N 0.172 120.652 120.400 0.134 0.000 2.360 121 D HA 0.011 4.089 4.640 -0.936 0.000 0.242 121 D C 0.780 177.185 176.300 0.175 0.000 1.184 121 D CA -0.143 54.008 54.000 0.252 0.000 0.930 121 D CB 0.889 41.871 40.800 0.305 0.000 1.161 121 D HN 0.375 nan 8.370 nan 0.000 0.447 122 F N 1.872 121.871 119.950 0.081 0.000 2.161 122 F HA -0.093 3.867 4.527 -0.945 0.000 0.300 122 F C 1.193 176.995 175.800 0.003 0.000 1.089 122 F CA 1.190 59.172 58.000 -0.029 0.000 1.282 122 F CB -0.514 38.481 39.000 -0.008 0.000 1.010 122 F HN 0.334 nan 8.300 nan 0.000 0.485 123 F N 0.133 119.705 119.950 -0.630 0.000 2.748 123 F HA 0.019 3.983 4.527 -0.938 0.000 0.299 123 F C 1.965 177.620 175.800 -0.242 0.000 1.154 123 F CA 0.395 58.014 58.000 -0.635 0.000 1.446 123 F CB -0.765 37.935 39.000 -0.499 0.000 1.112 123 F HN 0.110 nan 8.300 nan 0.000 0.584 124 C N -1.876 117.444 119.300 0.035 0.000 3.038 124 C HA 0.208 4.106 4.460 -0.936 0.000 0.279 124 C C 2.536 177.542 174.990 0.027 0.000 1.276 124 C CA -0.383 58.660 59.018 0.041 0.000 1.697 124 C CB -0.840 26.936 27.740 0.060 0.000 2.032 124 C HN 0.242 nan 8.230 nan 0.000 0.636 125 V N 2.656 122.584 119.914 0.024 0.000 2.944 125 V HA -0.188 3.371 4.120 -0.936 0.000 0.265 125 V C 2.423 178.538 176.094 0.036 0.000 1.125 125 V CA 2.582 64.898 62.300 0.025 0.000 1.145 125 V CB -0.365 31.488 31.823 0.050 0.000 0.725 125 V HN 0.793 nan 8.190 nan 0.000 0.510 126 S N -1.152 114.569 115.700 0.034 0.000 2.428 126 S HA -0.116 3.792 4.470 -0.936 0.000 0.230 126 S C 1.752 176.363 174.600 0.018 0.000 1.014 126 S CA 1.238 59.453 58.200 0.026 0.000 0.957 126 S CB -0.475 62.733 63.200 0.014 0.000 0.784 126 S HN 0.575 nan 8.310 nan 0.000 0.499 127 M N 1.108 120.720 119.600 0.019 0.000 2.706 127 M HA 0.192 4.110 4.480 -0.936 0.000 0.251 127 M C 1.763 178.082 176.300 0.032 0.000 1.070 127 M CA 0.552 55.869 55.300 0.027 0.000 1.073 127 M CB -0.533 32.087 32.600 0.033 0.000 1.449 127 M HN 0.420 nan 8.290 nan 0.000 0.531 128 I N 0.320 120.903 120.570 0.022 0.000 2.423 128 I HA -0.315 3.294 4.170 -0.936 0.000 0.254 128 I C 1.252 177.382 176.117 0.021 0.000 1.151 128 I CA 1.455 62.765 61.300 0.018 0.000 1.421 128 I CB -0.084 37.919 38.000 0.005 0.000 1.079 128 I HN 0.248 nan 8.210 nan 0.000 0.431 129 D N 0.044 120.453 120.400 0.015 0.000 2.269 129 D HA -0.094 3.984 4.640 -0.936 0.000 0.208 129 D C 2.266 178.566 176.300 -0.000 0.000 0.963 129 D CA 0.876 54.877 54.000 0.002 0.000 0.864 129 D CB 0.175 40.972 40.800 -0.006 0.000 0.936 129 D HN 0.292 nan 8.370 nan 0.000 0.505 130 V N 0.850 120.786 119.914 0.037 0.000 2.283 130 V HA -0.087 3.471 4.120 -0.936 0.000 0.243 130 V C 2.619 178.808 176.094 0.158 0.000 1.039 130 V CA 1.902 64.250 62.300 0.080 0.000 1.016 130 V CB -0.897 31.022 31.823 0.159 0.000 0.650 130 V HN 0.200 nan 8.190 nan 0.000 0.449 131 G N -0.100 108.797 108.800 0.162 0.000 2.442 131 G HA2 -0.313 3.085 3.960 -0.936 0.000 0.219 131 G HA3 -0.313 3.085 3.960 -0.936 0.000 0.219 131 G C 1.385 176.368 174.900 0.138 0.000 1.141 131 G CA 1.271 46.485 45.100 0.190 0.000 0.763 131 G HN 0.616 nan 8.290 nan 0.000 0.554 132 N N 0.223 118.957 118.700 0.056 0.000 2.104 132 N HA -0.105 4.073 4.740 -0.936 0.000 0.190 132 N C 2.103 177.599 175.510 -0.024 0.000 1.024 132 N CA 1.027 54.087 53.050 0.016 0.000 0.853 132 N CB -0.145 38.338 38.487 -0.006 0.000 1.008 132 N HN 0.426 nan 8.380 nan 0.000 0.424 133 E N -0.164 119.970 120.200 -0.110 0.000 2.204 133 E HA -0.143 3.645 4.350 -0.936 0.000 0.195 133 E C 0.613 177.015 176.600 -0.330 0.000 0.990 133 E CA 0.863 57.094 56.400 -0.282 0.000 0.821 133 E CB 0.004 29.412 29.700 -0.487 0.000 0.750 133 E HN 0.447 nan 8.360 nan 0.000 0.477 134 F N -0.726 119.235 119.950 0.018 0.000 2.664 134 F HA 0.261 4.227 4.527 -0.936 0.000 0.303 134 F C 1.375 177.187 175.800 0.020 0.000 1.092 134 F CA 0.102 58.115 58.000 0.022 0.000 1.305 134 F CB 1.061 40.078 39.000 0.029 0.000 1.054 134 F HN -0.023 nan 8.300 nan 0.000 0.565 135 G N 1.736 110.621 108.800 0.142 0.000 2.198 135 G HA2 -0.320 3.078 3.960 -0.936 0.000 0.260 135 G HA3 -0.320 3.078 3.960 -0.936 0.000 0.260 135 G C 0.045 175.008 174.900 0.105 0.000 1.025 135 G CA -0.099 45.059 45.100 0.097 0.000 0.769 135 G HN 0.379 nan 8.290 nan 0.000 0.507 136 I N 2.377 123.026 120.570 0.132 0.000 2.312 136 I HA 0.292 3.900 4.170 -0.936 0.000 0.290 136 I C -1.441 174.727 176.117 0.085 0.000 1.008 136 I CA -2.424 58.943 61.300 0.113 0.000 1.226 136 I CB 1.607 39.683 38.000 0.126 0.000 1.371 136 I HN -0.052 nan 8.210 nan 0.000 0.468 137 P HA 0.101 nan 4.420 nan 0.000 0.272 137 P C -0.737 176.585 177.300 0.036 0.000 1.223 137 P CA -0.193 62.919 63.100 0.021 0.000 0.784 137 P CB 1.041 32.747 31.700 0.010 0.000 0.923 138 S N 1.363 117.032 115.700 -0.053 0.000 2.503 138 S HA 0.516 4.425 4.470 -0.936 0.000 0.301 138 S C -0.814 173.699 174.600 -0.146 0.000 1.087 138 S CA -0.257 57.936 58.200 -0.011 0.000 1.042 138 S CB 0.580 63.774 63.200 -0.009 0.000 1.043 138 S HN 0.321 nan 8.310 nan 0.000 0.489 139 Y N 1.209 121.504 120.300 -0.009 0.000 2.446 139 Y HA 0.533 4.522 4.550 -0.934 0.000 0.338 139 Y C -0.060 175.818 175.900 -0.037 0.000 1.055 139 Y CA -0.832 57.265 58.100 -0.005 0.000 1.101 139 Y CB 1.123 39.590 38.460 0.012 0.000 1.221 139 Y HN 0.435 nan 8.280 nan 0.000 0.460 140 L N 3.813 125.085 121.223 0.081 0.000 2.309 140 L HA 0.430 4.209 4.340 -0.936 0.000 0.282 140 L C -1.524 175.376 176.870 0.048 0.000 1.036 140 L CA -0.762 54.059 54.840 -0.031 0.000 0.806 140 L CB 0.897 42.801 42.059 -0.257 0.000 1.220 140 L HN 0.637 nan 8.230 nan 0.000 0.429 141 F N 6.073 125.953 119.950 -0.116 0.000 2.375 141 F HA 0.405 4.371 4.527 -0.935 0.000 0.361 141 F C -1.053 174.717 175.800 -0.049 0.000 1.117 141 F CA -0.594 57.316 58.000 -0.151 0.000 1.037 141 F CB 0.984 39.856 39.000 -0.214 0.000 1.192 141 F HN 0.252 nan 8.300 nan 0.000 0.452 142 L N 6.636 127.520 121.223 -0.565 0.000 2.265 142 L HA 0.252 4.031 4.340 -0.936 0.000 0.289 142 L C 0.903 177.411 176.870 -0.602 0.000 1.033 142 L CA -0.224 54.380 54.840 -0.393 0.000 0.814 142 L CB 1.721 43.639 42.059 -0.235 0.000 1.203 142 L HN 0.809 nan 8.230 nan 0.000 0.423 143 T N -1.120 113.177 114.554 -0.429 0.000 3.160 143 T HA -0.007 3.781 4.350 -0.936 0.000 0.257 143 T C 1.027 175.668 174.700 -0.098 0.000 1.147 143 T CA 0.181 62.088 62.100 -0.322 0.000 1.064 143 T CB 0.292 68.986 68.868 -0.289 0.000 0.949 143 T HN 0.446 nan 8.240 nan 0.000 0.526 144 S N 1.791 117.332 115.700 -0.265 0.000 2.521 144 S HA 0.519 4.427 4.470 -0.936 0.000 0.278 144 S C 0.085 174.233 174.600 -0.753 0.000 1.140 144 S CA -0.748 57.148 58.200 -0.505 0.000 1.028 144 S CB 0.481 63.266 63.200 -0.693 0.000 1.203 144 S HN 0.699 nan 8.310 nan 0.000 0.491 145 N N -0.922 117.173 118.700 -1.010 0.000 2.563 145 N HA 0.356 4.535 4.740 -0.936 0.000 0.288 145 N C 0.563 175.872 175.510 -0.335 0.000 1.246 145 N CA -0.758 51.808 53.050 -0.807 0.000 0.946 145 N CB 0.251 37.957 38.487 -1.301 0.000 1.213 145 N HN 0.178 nan 8.380 nan 0.000 0.578 146 V N -0.414 119.367 119.914 -0.222 0.000 2.626 146 V HA -0.045 3.514 4.120 -0.936 0.000 0.252 146 V C 2.221 178.236 176.094 -0.132 0.000 1.067 146 V CA 2.154 64.368 62.300 -0.143 0.000 1.081 146 V CB -1.354 30.401 31.823 -0.113 0.000 0.686 146 V HN 0.926 nan 8.190 nan 0.000 0.468 147 G N -0.747 107.981 108.800 -0.119 0.000 2.432 147 G HA2 -0.298 3.101 3.960 -0.936 0.000 0.219 147 G HA3 -0.298 3.101 3.960 -0.936 0.000 0.219 147 G C 1.509 176.339 174.900 -0.118 0.000 1.135 147 G CA 0.840 45.879 45.100 -0.101 0.000 0.767 147 G HN 0.513 nan 8.290 nan 0.000 0.550 148 F N 0.883 120.660 119.950 -0.289 0.000 2.206 148 F HA 0.099 4.070 4.527 -0.927 0.000 0.298 148 F C 2.207 177.816 175.800 -0.319 0.000 1.090 148 F CA 0.876 58.684 58.000 -0.320 0.000 1.323 148 F CB -0.238 38.526 39.000 -0.393 0.000 1.028 148 F HN 0.105 nan 8.300 nan 0.000 0.492 149 L N 0.120 121.183 121.223 -0.267 0.000 1.989 149 L HA -0.190 3.588 4.340 -0.936 0.000 0.211 149 L C 2.410 179.078 176.870 -0.336 0.000 1.071 149 L CA 2.335 57.017 54.840 -0.264 0.000 0.749 149 L CB -1.347 40.653 42.059 -0.098 0.000 0.890 149 L HN 0.120 nan 8.230 nan 0.000 0.431 150 S N -0.075 115.469 115.700 -0.259 0.000 2.359 150 S HA -0.229 3.680 4.470 -0.936 0.000 0.223 150 S C 1.856 176.282 174.600 -0.290 0.000 1.039 150 S CA 1.694 59.751 58.200 -0.239 0.000 1.042 150 S CB -0.914 62.174 63.200 -0.188 0.000 0.915 150 S HN 0.536 nan 8.310 nan 0.000 0.439 151 L N 1.729 122.757 121.223 -0.326 0.000 2.021 151 L HA -0.153 3.626 4.340 -0.936 0.000 0.215 151 L C 2.086 178.714 176.870 -0.404 0.000 1.074 151 L CA 1.944 56.594 54.840 -0.316 0.000 0.760 151 L CB -0.754 41.097 42.059 -0.347 0.000 0.889 151 L HN 0.228 nan 8.230 nan 0.000 0.433 152 M N -1.000 118.186 119.600 -0.689 0.000 2.099 152 M HA -0.154 3.765 4.480 -0.936 0.000 0.262 152 M C 2.371 178.311 176.300 -0.600 0.000 1.067 152 M CA 1.596 56.408 55.300 -0.813 0.000 1.124 152 M CB -1.109 30.733 32.600 -1.262 0.000 1.353 152 M HN 0.316 nan 8.290 nan 0.000 0.410 153 L N 0.416 121.356 121.223 -0.471 0.000 2.549 153 L HA -0.128 3.650 4.340 -0.936 0.000 0.229 153 L C 2.375 179.123 176.870 -0.202 0.000 1.158 153 L CA 0.832 55.494 54.840 -0.297 0.000 0.842 153 L CB -0.568 41.386 42.059 -0.175 0.000 0.952 153 L HN 0.406 nan 8.230 nan 0.000 0.452 154 S N -1.124 114.458 115.700 -0.198 0.000 2.524 154 S HA 0.005 3.914 4.470 -0.936 0.000 0.216 154 S C 1.535 176.096 174.600 -0.066 0.000 0.987 154 S CA -0.055 58.078 58.200 -0.113 0.000 0.909 154 S CB -0.007 63.141 63.200 -0.086 0.000 0.781 154 S HN 0.234 nan 8.310 nan 0.000 0.521 155 L N 1.961 123.130 121.223 -0.091 0.000 2.622 155 L HA 0.310 4.088 4.340 -0.936 0.000 0.233 155 L C 2.230 179.129 176.870 0.049 0.000 1.156 155 L CA 0.922 55.751 54.840 -0.018 0.000 0.866 155 L CB -0.720 41.320 42.059 -0.032 0.000 0.980 155 L HN 0.370 nan 8.230 nan 0.000 0.448 156 K N 0.823 121.208 120.400 -0.026 0.000 2.283 156 K HA -0.152 3.607 4.320 -0.936 0.000 0.202 156 K C 1.104 177.742 176.600 0.062 0.000 1.048 156 K CA 1.192 57.481 56.287 0.005 0.000 0.948 156 K CB 0.026 32.510 32.500 -0.027 0.000 0.742 156 K HN 0.520 nan 8.250 nan 0.000 0.458 157 N N 0.448 119.168 118.700 0.034 0.000 2.346 157 N HA 0.004 4.182 4.740 -0.936 0.000 0.225 157 N C -0.504 175.003 175.510 -0.006 0.000 1.144 157 N CA -0.350 52.708 53.050 0.015 0.000 0.837 157 N CB 0.309 38.793 38.487 -0.005 0.000 1.069 157 N HN -0.046 nan 8.380 nan 0.000 0.487 158 R N -0.781 119.748 120.500 0.049 0.000 3.006 158 R HA 0.390 4.169 4.340 -0.936 0.000 0.235 158 R C 0.395 176.669 176.300 -0.043 0.000 1.362 158 R CA -0.685 55.409 56.100 -0.011 0.000 1.067 158 R CB 0.044 30.376 30.300 0.054 0.000 1.396 158 R HN 0.155 nan 8.270 nan 0.000 0.504 159 Q N 0.043 119.756 119.800 -0.145 0.000 3.080 159 Q HA 0.383 4.162 4.340 -0.936 0.000 0.219 159 Q C 0.809 176.606 176.000 -0.339 0.000 1.169 159 Q CA -0.107 55.597 55.803 -0.165 0.000 0.315 159 Q CB 0.626 29.289 28.738 -0.126 0.000 5.814 159 Q HN 0.555 nan 8.270 nan 0.000 0.319 160 I N -1.616 118.815 120.570 -0.230 0.000 5.285 160 I HA 0.043 3.652 4.170 -0.936 0.000 0.351 160 I C 0.762 176.825 176.117 -0.091 0.000 1.206 160 I CA 0.276 61.449 61.300 -0.211 0.000 1.527 160 I CB 0.584 38.536 38.000 -0.080 0.000 1.694 160 I HN 0.403 nan 8.210 nan 0.000 0.585 161 E N 1.035 121.181 120.200 -0.088 0.000 2.307 161 E HA 0.018 3.807 4.350 -0.936 0.000 0.195 161 E C 0.712 177.243 176.600 -0.114 0.000 0.975 161 E CA -0.116 56.242 56.400 -0.070 0.000 0.878 161 E CB 0.512 30.177 29.700 -0.058 0.000 0.845 161 E HN 0.404 nan 8.360 nan 0.000 0.488 162 E N 1.286 121.381 120.200 -0.175 0.000 2.435 162 E HA 0.041 3.829 4.350 -0.936 0.000 0.256 162 E C -0.333 175.959 176.600 -0.515 0.000 1.245 162 E CA 0.303 56.535 56.400 -0.280 0.000 0.989 162 E CB 0.841 30.364 29.700 -0.295 0.000 0.983 162 E HN -0.042 nan 8.360 nan 0.000 0.480 163 V N -0.150 119.388 119.914 -0.627 0.000 2.939 163 V HA 0.275 3.834 4.120 -0.936 0.000 0.320 163 V C -0.673 175.132 176.094 -0.480 0.000 1.101 163 V CA -0.898 60.892 62.300 -0.849 0.000 1.345 163 V CB -0.661 31.002 31.823 -0.268 0.000 1.079 163 V HN 0.749 nan 8.190 nan 0.000 0.549 164 F N 3.221 122.723 119.950 -0.747 0.000 2.009 164 F HA -0.127 3.861 4.527 -0.898 0.000 0.205 164 F C 1.067 176.875 175.800 0.013 0.000 1.016 164 F CA 2.083 59.961 58.000 -0.202 0.000 0.795 164 F CB -0.715 38.244 39.000 -0.069 0.000 1.067 164 F HN 0.955 nan 8.300 nan 0.000 0.755 165 D N 1.023 121.563 120.400 0.234 0.000 2.978 165 D HA -0.315 3.764 4.640 -0.936 0.000 0.205 165 D C 0.723 177.073 176.300 0.083 0.000 1.093 165 D CA 1.966 56.073 54.000 0.178 0.000 1.006 165 D CB -1.418 39.543 40.800 0.267 0.000 1.116 165 D HN 0.920 nan 8.370 nan 0.000 0.419 166 D N -1.314 119.114 120.400 0.048 0.000 2.800 166 D HA -0.262 3.816 4.640 -0.936 0.000 0.232 166 D C 0.039 176.356 176.300 0.029 0.000 1.137 166 D CA 1.642 55.640 54.000 -0.002 0.000 0.718 166 D CB -1.153 39.627 40.800 -0.035 0.000 1.084 166 D HN 0.271 nan 8.370 nan 0.000 0.432 167 S N -1.288 114.485 115.700 0.121 0.000 3.127 167 S HA -0.275 3.633 4.470 -0.936 0.000 0.281 167 S C 0.084 174.597 174.600 -0.146 0.000 1.293 167 S CA 0.866 59.079 58.200 0.021 0.000 1.156 167 S CB -0.936 62.272 63.200 0.013 0.000 1.389 167 S HN 0.713 nan 8.310 nan 0.000 0.672 168 D N 2.042 122.390 120.400 -0.088 0.000 2.518 168 D HA 0.247 4.326 4.640 -0.936 0.000 0.230 168 D C 0.296 176.508 176.300 -0.146 0.000 1.138 168 D CA -0.423 53.508 54.000 -0.116 0.000 0.964 168 D CB 0.249 41.015 40.800 -0.057 0.000 1.011 168 D HN 0.635 nan 8.370 nan 0.000 0.517 169 R N 1.516 121.848 120.500 -0.280 0.000 2.664 169 R HA 0.565 4.344 4.340 -0.936 0.000 0.286 169 R C -0.716 175.406 176.300 -0.297 0.000 0.967 169 R CA -0.725 55.205 56.100 -0.285 0.000 0.933 169 R CB 2.062 32.075 30.300 -0.480 0.000 1.146 169 R HN -0.020 nan 8.270 nan 0.000 0.468 170 D N 0.236 120.452 120.400 -0.307 0.000 2.519 170 D HA 0.028 4.106 4.640 -0.936 0.000 0.114 170 D C 0.021 175.964 176.300 -0.595 0.000 1.463 170 D CA 0.153 53.802 54.000 -0.585 0.000 1.454 170 D CB 0.248 40.580 40.800 -0.780 0.000 2.156 170 D HN 0.805 nan 8.370 nan 0.000 0.210 171 H N -0.007 119.038 119.070 -0.042 0.000 2.777 171 H HA 0.303 4.298 4.556 -0.935 0.000 0.244 171 H C -0.260 175.054 175.328 -0.023 0.000 1.185 171 H CA -0.344 55.685 56.048 -0.031 0.000 0.945 171 H CB 0.280 30.028 29.762 -0.024 0.000 1.994 171 H HN -0.054 nan 8.280 nan 0.000 0.638 172 Q N 2.134 121.983 119.800 0.081 0.000 2.274 172 Q HA 0.310 4.089 4.340 -0.936 0.000 0.256 172 Q C -0.759 175.259 176.000 0.030 0.000 0.927 172 Q CA -0.613 55.227 55.803 0.062 0.000 0.939 172 Q CB 1.091 29.862 28.738 0.056 0.000 1.201 172 Q HN 0.462 nan 8.270 nan 0.000 0.426 173 L N 4.697 125.935 121.223 0.025 0.000 2.371 173 L HA 0.407 4.186 4.340 -0.936 0.000 0.272 173 L C -0.208 176.670 176.870 0.013 0.000 1.124 173 L CA -0.457 54.383 54.840 0.001 0.000 0.816 173 L CB 0.621 42.682 42.059 0.004 0.000 1.129 173 L HN 0.506 nan 8.230 nan 0.000 0.448 174 L N 2.268 123.490 121.223 -0.002 0.000 2.342 174 L HA 0.459 4.238 4.340 -0.936 0.000 0.271 174 L C -0.508 176.364 176.870 0.003 0.000 1.008 174 L CA -0.593 54.266 54.840 0.031 0.000 0.818 174 L CB 1.922 44.026 42.059 0.074 0.000 1.296 174 L HN 0.484 nan 8.230 nan 0.000 0.427 175 N N 2.765 121.474 118.700 0.014 0.000 2.476 175 N HA 0.544 4.722 4.740 -0.936 0.000 0.257 175 N C -1.159 174.338 175.510 -0.022 0.000 0.970 175 N CA -0.490 52.556 53.050 -0.007 0.000 0.938 175 N CB 0.950 39.438 38.487 0.000 0.000 1.144 175 N HN 0.549 nan 8.380 nan 0.000 0.500 176 I N 0.487 121.027 120.570 -0.050 0.000 2.418 176 I HA 0.653 4.261 4.170 -0.936 0.000 0.287 176 I C -2.566 173.465 176.117 -0.143 0.000 1.008 176 I CA -2.610 58.638 61.300 -0.087 0.000 1.104 176 I CB 2.049 40.005 38.000 -0.073 0.000 1.264 176 I HN 0.282 nan 8.210 nan 0.000 0.438 177 P HA 0.241 nan 4.420 nan 0.000 0.264 177 P C 0.684 177.847 177.300 -0.229 0.000 1.229 177 P CA 0.642 63.547 63.100 -0.326 0.000 0.780 177 P CB 0.832 32.037 31.700 -0.825 0.000 0.808 178 G N 3.539 112.250 108.800 -0.149 0.000 3.898 178 G HA2 -0.130 3.269 3.960 -0.936 0.000 0.196 178 G HA3 -0.130 3.269 3.960 -0.936 0.000 0.196 178 G C -0.302 174.547 174.900 -0.084 0.000 1.322 178 G CA -0.509 44.518 45.100 -0.122 0.000 0.942 178 G HN 0.397 nan 8.290 nan 0.000 0.400 179 I N 2.579 123.101 120.570 -0.081 0.000 2.395 179 I HA 0.488 4.096 4.170 -0.936 0.000 0.289 179 I C 1.598 177.692 176.117 -0.038 0.000 1.023 179 I CA 0.360 61.627 61.300 -0.054 0.000 1.350 179 I CB 1.151 39.125 38.000 -0.043 0.000 1.409 179 I HN 0.220 nan 8.210 nan 0.000 0.507 180 S N 5.064 120.746 115.700 -0.030 0.000 2.371 180 S HA -0.024 3.885 4.470 -0.936 0.000 0.224 180 S C 0.827 175.425 174.600 -0.002 0.000 1.029 180 S CA 0.685 58.875 58.200 -0.018 0.000 0.978 180 S CB -0.082 63.107 63.200 -0.018 0.000 0.833 180 S HN 0.756 nan 8.310 nan 0.000 0.466 181 N N 2.075 120.784 118.700 0.014 0.000 2.482 181 N HA 0.155 4.333 4.740 -0.936 0.000 0.260 181 N C -0.548 175.014 175.510 0.087 0.000 1.236 181 N CA -0.116 52.975 53.050 0.068 0.000 0.938 181 N CB 0.302 38.863 38.487 0.124 0.000 1.128 181 N HN 0.291 nan 8.380 nan 0.000 0.448 182 Q N 0.401 120.248 119.800 0.078 0.000 2.311 182 Q HA 0.114 3.892 4.340 -0.936 0.000 0.272 182 Q C -0.489 175.501 176.000 -0.017 0.000 1.012 182 Q CA -0.088 55.732 55.803 0.028 0.000 0.891 182 Q CB 0.824 29.579 28.738 0.028 0.000 1.201 182 Q HN 0.363 nan 8.270 nan 0.000 0.391 183 V N 4.843 124.684 119.914 -0.121 0.000 2.350 183 V HA 0.323 3.882 4.120 -0.936 0.000 0.276 183 V C -2.347 173.564 176.094 -0.305 0.000 1.028 183 V CA -2.210 59.885 62.300 -0.341 0.000 0.860 183 V CB 1.590 33.236 31.823 -0.294 0.000 0.990 183 V HN 0.576 nan 8.190 nan 0.000 0.453 184 P HA 0.246 nan 4.420 nan 0.000 0.272 184 P C 0.568 177.754 177.300 -0.190 0.000 1.230 184 P CA 0.025 62.984 63.100 -0.234 0.000 0.788 184 P CB 0.823 32.385 31.700 -0.230 0.000 0.949 185 S N 0.750 116.397 115.700 -0.088 0.000 2.406 185 S HA -0.111 3.798 4.470 -0.936 0.000 0.228 185 S C 1.399 176.031 174.600 0.053 0.000 1.020 185 S CA 1.016 59.213 58.200 -0.006 0.000 0.965 185 S CB -0.841 62.373 63.200 0.023 0.000 0.798 185 S HN 0.613 nan 8.310 nan 0.000 0.488 186 N N 2.233 120.907 118.700 -0.042 0.000 2.573 186 N HA -0.073 4.105 4.740 -0.936 0.000 0.187 186 N C 1.437 176.958 175.510 0.019 0.000 1.107 186 N CA 1.183 54.218 53.050 -0.025 0.000 0.918 186 N CB -0.482 37.967 38.487 -0.064 0.000 0.966 186 N HN 0.547 nan 8.380 nan 0.000 0.448 187 V N -3.287 116.597 119.914 -0.050 0.000 3.650 187 V HA 0.255 3.814 4.120 -0.936 0.000 0.271 187 V C 0.769 176.838 176.094 -0.042 0.000 1.281 187 V CA -0.374 61.893 62.300 -0.055 0.000 1.120 187 V CB -0.513 31.186 31.823 -0.207 0.000 0.856 187 V HN -0.100 nan 8.190 nan 0.000 0.443 188 L N 2.057 123.247 121.223 -0.056 0.000 2.456 188 L HA 0.421 4.200 4.340 -0.936 0.000 0.272 188 L C -1.896 174.920 176.870 -0.090 0.000 1.189 188 L CA -1.499 53.236 54.840 -0.175 0.000 0.846 188 L CB -0.110 41.689 42.059 -0.433 0.000 1.111 188 L HN 0.124 nan 8.230 nan 0.000 0.475 189 P HA -0.034 nan 4.420 nan 0.000 0.271 189 P C 0.129 177.390 177.300 -0.066 0.000 1.233 189 P CA -0.044 63.079 63.100 0.038 0.000 0.795 189 P CB 0.514 32.349 31.700 0.225 0.000 0.936 190 D N 0.516 120.950 120.400 0.056 0.000 2.144 190 D HA -0.120 3.959 4.640 -0.936 0.000 0.200 190 D C 1.895 178.176 176.300 -0.032 0.000 0.978 190 D CA 1.600 55.659 54.000 0.098 0.000 0.833 190 D CB -0.578 40.310 40.800 0.147 0.000 0.961 190 D HN 0.315 nan 8.370 nan 0.000 0.470 191 A N 0.282 123.003 122.820 -0.166 0.000 2.076 191 A HA -0.184 3.574 4.320 -0.936 0.000 0.220 191 A C 2.430 179.881 177.584 -0.222 0.000 1.160 191 A CA 0.933 52.807 52.037 -0.273 0.000 0.653 191 A CB -0.857 17.712 19.000 -0.718 0.000 0.801 191 A HN 0.325 nan 8.150 nan 0.000 0.455 192 C N -1.833 117.250 119.300 -0.363 0.000 2.419 192 C HA -0.021 3.878 4.460 -0.936 0.000 0.283 192 C C 1.906 176.698 174.990 -0.330 0.000 1.373 192 C CA 0.814 59.647 59.018 -0.309 0.000 1.781 192 C CB -1.523 25.695 27.740 -0.868 0.000 1.886 192 C HN 0.671 nan 8.230 nan 0.000 0.520 193 F N -0.774 119.223 119.950 0.077 0.000 2.727 193 F HA 0.210 4.178 4.527 -0.931 0.000 0.302 193 F C 1.069 176.882 175.800 0.021 0.000 1.107 193 F CA -0.425 57.593 58.000 0.029 0.000 1.277 193 F CB -0.945 38.051 39.000 -0.006 0.000 1.079 193 F HN 0.098 nan 8.300 nan 0.000 0.594 194 N N 2.706 121.497 118.700 0.151 0.000 2.416 194 N HA -0.055 4.123 4.740 -0.936 0.000 0.291 194 N C 0.219 175.778 175.510 0.081 0.000 1.257 194 N CA -0.219 52.892 53.050 0.102 0.000 1.043 194 N CB 0.221 38.753 38.487 0.074 0.000 1.441 194 N HN 0.071 nan 8.380 nan 0.000 0.490 195 K N 1.242 121.675 120.400 0.055 0.000 2.706 195 K HA 0.029 3.787 4.320 -0.936 0.000 0.217 195 K C 0.039 176.628 176.600 -0.018 0.000 1.019 195 K CA 0.188 56.485 56.287 0.016 0.000 1.181 195 K CB 0.259 32.756 32.500 -0.004 0.000 0.940 195 K HN 0.282 nan 8.250 nan 0.000 0.491 196 D N 0.247 120.633 120.400 -0.023 0.000 2.696 196 D HA 0.166 4.245 4.640 -0.936 0.000 0.269 196 D C 0.396 176.588 176.300 -0.181 0.000 1.319 196 D CA 0.218 54.166 54.000 -0.086 0.000 0.826 196 D CB 0.152 40.926 40.800 -0.043 0.000 1.086 196 D HN 0.385 nan 8.370 nan 0.000 0.481 197 G N -0.113 108.582 108.800 -0.175 0.000 2.201 197 G HA2 -0.265 3.133 3.960 -0.936 0.000 0.212 197 G HA3 -0.265 3.133 3.960 -0.936 0.000 0.212 197 G C 1.159 176.172 174.900 0.189 0.000 0.994 197 G CA 0.229 45.167 45.100 -0.269 0.000 0.644 197 G HN 0.454 nan 8.290 nan 0.000 0.508 198 G N 0.073 108.958 108.800 0.141 0.000 2.414 198 G HA2 -0.043 3.356 3.960 -0.936 0.000 0.215 198 G HA3 -0.043 3.356 3.960 -0.936 0.000 0.215 198 G C 1.391 176.372 174.900 0.136 0.000 1.188 198 G CA 1.731 46.912 45.100 0.136 0.000 0.783 198 G HN 0.630 nan 8.290 nan 0.000 0.537 199 Y N 1.204 121.528 120.300 0.040 0.000 2.293 199 Y HA 0.035 3.949 4.550 -1.059 0.000 0.291 199 Y C 2.582 178.603 175.900 0.202 0.000 1.137 199 Y CA 0.845 58.998 58.100 0.089 0.000 1.202 199 Y CB -0.055 38.438 38.460 0.056 0.000 0.990 199 Y HN 0.170 nan 8.280 nan 0.000 0.537 200 I N -0.337 120.422 120.570 0.315 0.000 2.099 200 I HA -0.392 3.216 4.170 -0.936 0.000 0.239 200 I C 2.683 179.015 176.117 0.357 0.000 1.066 200 I CA 1.329 62.824 61.300 0.326 0.000 1.324 200 I CB -0.891 37.323 38.000 0.355 0.000 1.037 200 I HN 0.300 nan 8.210 nan 0.000 0.401 201 A N 0.329 123.405 122.820 0.426 0.000 1.859 201 A HA -0.289 3.470 4.320 -0.936 0.000 0.217 201 A C 2.294 180.126 177.584 0.413 0.000 1.198 201 A CA 1.747 54.024 52.037 0.399 0.000 0.629 201 A CB -1.482 17.791 19.000 0.455 0.000 0.830 201 A HN 0.468 nan 8.150 nan 0.000 0.446 202 Y N -2.690 117.725 120.300 0.192 0.000 2.181 202 Y HA -0.340 3.639 4.550 -0.951 0.000 0.284 202 Y C 2.477 178.341 175.900 -0.059 0.000 1.179 202 Y CA 1.697 59.847 58.100 0.083 0.000 1.179 202 Y CB -0.281 38.170 38.460 -0.015 0.000 0.973 202 Y HN 0.535 nan 8.280 nan 0.000 0.519 203 Y N 0.939 121.203 120.300 -0.060 0.000 2.153 203 Y HA -0.212 4.393 4.550 0.091 0.000 0.289 203 Y C 2.322 178.200 175.900 -0.037 0.000 1.127 203 Y CA 1.371 59.378 58.100 -0.155 0.000 1.131 203 Y CB -0.277 38.063 38.460 -0.198 0.000 0.995 203 Y HN -0.178 nan 8.280 nan 0.000 0.505 204 K N 0.295 120.780 120.400 0.141 0.000 2.074 204 K HA -0.201 3.558 4.320 -0.936 0.000 0.209 204 K C 2.087 178.703 176.600 0.028 0.000 1.048 204 K CA 1.826 58.164 56.287 0.085 0.000 0.926 204 K CB -0.783 31.808 32.500 0.151 0.000 0.713 204 K HN 0.413 nan 8.250 nan 0.000 0.444 205 L N -0.003 121.270 121.223 0.084 0.000 2.044 205 L HA -0.077 3.702 4.340 -0.936 0.000 0.205 205 L C 2.545 179.495 176.870 0.133 0.000 1.075 205 L CA 1.074 56.013 54.840 0.165 0.000 0.747 205 L CB -0.608 41.615 42.059 0.273 0.000 0.903 205 L HN 0.065 nan 8.230 nan 0.000 0.435 206 A N -0.389 122.277 122.820 -0.257 0.000 2.070 206 A HA -0.190 3.569 4.320 -0.936 0.000 0.220 206 A C 2.127 179.470 177.584 -0.403 0.000 1.159 206 A CA 1.218 52.775 52.037 -0.799 0.000 0.656 206 A CB -0.429 18.047 19.000 -0.874 0.000 0.800 206 A HN 0.433 nan 8.150 nan 0.000 0.453 207 E N -0.399 119.612 120.200 -0.315 0.000 2.130 207 E HA -0.206 3.582 4.350 -0.936 0.000 0.196 207 E C 1.635 178.195 176.600 -0.067 0.000 0.998 207 E CA 1.059 57.299 56.400 -0.267 0.000 0.806 207 E CB -0.048 29.501 29.700 -0.250 0.000 0.738 207 E HN 0.410 nan 8.360 nan 0.000 0.459 208 R N -0.375 120.165 120.500 0.066 0.000 2.300 208 R HA 0.044 3.822 4.340 -0.936 0.000 0.199 208 R C 1.751 178.167 176.300 0.194 0.000 0.920 208 R CA 0.111 56.278 56.100 0.111 0.000 1.046 208 R CB -0.438 29.915 30.300 0.088 0.000 0.984 208 R HN 0.154 nan 8.270 nan 0.000 0.493 209 F N 1.996 121.904 119.950 -0.070 0.000 2.063 209 F HA -0.175 3.801 4.527 -0.919 0.000 0.298 209 F C 2.093 177.864 175.800 -0.048 0.000 1.109 209 F CA 1.392 59.356 58.000 -0.059 0.000 1.212 209 F CB -0.494 38.448 39.000 -0.097 0.000 0.973 209 F HN -0.043 nan 8.300 nan 0.000 0.480 210 R N 0.043 120.633 120.500 0.149 0.000 2.357 210 R HA -0.090 3.688 4.340 -0.936 0.000 0.202 210 R C 0.682 177.000 176.300 0.030 0.000 1.047 210 R CA 0.793 56.934 56.100 0.068 0.000 1.034 210 R CB -0.344 29.982 30.300 0.043 0.000 0.875 210 R HN 0.275 nan 8.270 nan 0.000 0.473 211 D N 0.039 120.452 120.400 0.022 0.000 2.349 211 D HA -0.017 4.061 4.640 -0.936 0.000 0.214 211 D C 0.615 176.890 176.300 -0.041 0.000 1.063 211 D CA 0.498 54.495 54.000 -0.006 0.000 0.847 211 D CB 0.476 41.276 40.800 0.000 0.000 0.933 211 D HN 0.205 nan 8.370 nan 0.000 0.513 212 T N -1.969 112.548 114.554 -0.061 0.000 2.874 212 T HA 0.208 3.997 4.350 -0.936 0.000 0.281 212 T C 1.122 175.714 174.700 -0.179 0.000 0.994 212 T CA -0.638 61.384 62.100 -0.130 0.000 1.015 212 T CB 2.458 71.243 68.868 -0.138 0.000 1.028 212 T HN -0.215 nan 8.240 nan 0.000 0.523 213 K N 0.296 120.470 120.400 -0.377 0.000 2.228 213 K HA 0.201 3.960 4.320 -0.936 0.000 0.202 213 K C 0.767 177.187 176.600 -0.300 0.000 1.051 213 K CA 0.541 56.567 56.287 -0.435 0.000 0.960 213 K CB -0.323 31.715 32.500 -0.770 0.000 0.743 213 K HN 0.907 nan 8.250 nan 0.000 0.458 214 G N 0.239 108.880 108.800 -0.265 0.000 2.667 214 G HA2 0.429 3.827 3.960 -0.936 0.000 0.294 214 G HA3 0.429 3.827 3.960 -0.936 0.000 0.294 214 G C -1.671 173.381 174.900 0.253 0.000 1.467 214 G CA -0.834 44.403 45.100 0.228 0.000 0.852 214 G HN 0.059 nan 8.290 nan 0.000 0.521 215 I N 1.585 122.327 120.570 0.286 0.000 2.389 215 I HA 0.460 4.069 4.170 -0.936 0.000 0.288 215 I C -0.307 175.958 176.117 0.247 0.000 0.999 215 I CA -0.792 60.599 61.300 0.152 0.000 1.129 215 I CB 1.895 39.911 38.000 0.026 0.000 1.288 215 I HN 0.528 nan 8.210 nan 0.000 0.444 216 I N 7.503 128.175 120.570 0.170 0.000 2.412 216 I HA 0.614 4.222 4.170 -0.936 0.000 0.296 216 I C -1.141 174.935 176.117 -0.067 0.000 0.987 216 I CA -0.369 61.016 61.300 0.141 0.000 1.180 216 I CB 1.461 39.520 38.000 0.098 0.000 1.340 216 I HN 0.251 nan 8.210 nan 0.000 0.455 217 V N 6.234 126.121 119.914 -0.045 0.000 2.604 217 V HA 0.301 3.859 4.120 -0.936 0.000 0.305 217 V C 0.107 176.163 176.094 -0.063 0.000 1.043 217 V CA -0.778 61.448 62.300 -0.124 0.000 0.888 217 V CB 1.697 33.474 31.823 -0.075 0.000 0.995 217 V HN 0.804 nan 8.190 nan 0.000 0.429 218 N N 2.526 121.170 118.700 -0.092 0.000 2.895 218 N HA 0.269 4.448 4.740 -0.936 0.000 0.277 218 N C -0.269 175.443 175.510 0.337 0.000 1.185 218 N CA 0.120 53.228 53.050 0.097 0.000 1.106 218 N CB 0.181 38.713 38.487 0.076 0.000 1.422 218 N HN 0.861 nan 8.380 nan 0.000 0.521 219 T N 0.738 115.455 114.554 0.273 0.000 2.665 219 T HA 0.508 4.296 4.350 -0.936 0.000 0.303 219 T C -1.733 173.158 174.700 0.318 0.000 1.334 219 T CA -0.612 61.674 62.100 0.310 0.000 1.011 219 T CB 0.550 69.505 68.868 0.145 0.000 1.573 219 T HN 0.189 nan 8.240 nan 0.000 0.492 220 F N -0.431 119.561 119.950 0.071 0.000 2.611 220 F HA 0.845 4.811 4.527 -0.935 0.000 0.324 220 F C 1.515 177.330 175.800 0.026 0.000 1.061 220 F CA -0.896 57.132 58.000 0.047 0.000 0.954 220 F CB 0.795 39.816 39.000 0.036 0.000 1.301 220 F HN 0.482 nan 8.300 nan 0.000 0.482 221 S N 0.044 115.852 115.700 0.181 0.000 2.351 221 S HA -0.197 3.712 4.470 -0.936 0.000 0.220 221 S C 1.399 176.018 174.600 0.032 0.000 1.035 221 S CA 2.173 60.421 58.200 0.079 0.000 1.031 221 S CB -0.588 62.676 63.200 0.108 0.000 0.928 221 S HN 0.805 nan 8.310 nan 0.000 0.433 222 D N 0.611 121.100 120.400 0.148 0.000 2.280 222 D HA -0.099 3.979 4.640 -0.936 0.000 0.206 222 D C 1.559 177.813 176.300 -0.077 0.000 0.988 222 D CA 0.666 54.733 54.000 0.112 0.000 0.886 222 D CB -0.221 40.730 40.800 0.252 0.000 0.914 222 D HN 0.343 nan 8.370 nan 0.000 0.473 223 L N -0.184 120.785 121.223 -0.422 0.000 2.316 223 L HA 0.146 3.924 4.340 -0.936 0.000 0.207 223 L C 0.815 177.486 176.870 -0.332 0.000 1.070 223 L CA 1.184 55.605 54.840 -0.697 0.000 0.820 223 L CB 0.423 41.541 42.059 -1.568 0.000 0.992 223 L HN -0.171 nan 8.230 nan 0.000 0.466 224 E N -1.941 118.131 120.200 -0.213 0.000 2.862 224 E HA 0.005 3.794 4.350 -0.936 0.000 0.204 224 E C 0.895 177.477 176.600 -0.030 0.000 0.966 224 E CA -0.073 56.300 56.400 -0.045 0.000 1.257 224 E CB 0.621 30.294 29.700 -0.045 0.000 1.053 224 E HN 0.183 nan 8.360 nan 0.000 0.487 225 Q N 1.190 120.977 119.800 -0.021 0.000 2.135 225 Q HA -0.176 3.603 4.340 -0.936 0.000 0.204 225 Q C 2.084 178.083 176.000 -0.001 0.000 0.981 225 Q CA 2.132 57.933 55.803 -0.003 0.000 0.856 225 Q CB -0.280 28.472 28.738 0.024 0.000 0.902 225 Q HN 0.213 nan 8.270 nan 0.000 0.425 226 S N -1.251 114.459 115.700 0.016 0.000 2.387 226 S HA -0.166 3.743 4.470 -0.936 0.000 0.230 226 S C 1.827 176.425 174.600 -0.003 0.000 1.035 226 S CA 1.690 59.902 58.200 0.020 0.000 1.014 226 S CB -0.296 62.929 63.200 0.041 0.000 0.836 226 S HN 0.527 nan 8.310 nan 0.000 0.466 227 S N 1.046 116.735 115.700 -0.018 0.000 2.406 227 S HA 0.200 4.108 4.470 -0.936 0.000 0.224 227 S C 1.753 176.281 174.600 -0.121 0.000 1.030 227 S CA 0.919 59.087 58.200 -0.055 0.000 0.958 227 S CB -0.363 62.811 63.200 -0.044 0.000 0.811 227 S HN 0.550 nan 8.310 nan 0.000 0.489 228 I N 2.246 122.727 120.570 -0.148 0.000 2.226 228 I HA -0.194 3.414 4.170 -0.936 0.000 0.245 228 I C 1.897 177.802 176.117 -0.354 0.000 1.100 228 I CA 1.179 62.295 61.300 -0.306 0.000 1.374 228 I CB -0.420 37.439 38.000 -0.235 0.000 1.057 228 I HN 0.168 nan 8.210 nan 0.000 0.413 229 D N 1.061 121.402 120.400 -0.098 0.000 2.178 229 D HA -0.098 3.981 4.640 -0.936 0.000 0.202 229 D C 2.248 178.574 176.300 0.042 0.000 0.974 229 D CA 1.439 55.470 54.000 0.051 0.000 0.841 229 D CB -0.030 40.815 40.800 0.074 0.000 0.953 229 D HN 0.350 nan 8.370 nan 0.000 0.478 230 A N 0.697 123.509 122.820 -0.013 0.000 1.929 230 A HA -0.055 3.704 4.320 -0.936 0.000 0.216 230 A C 2.364 179.955 177.584 0.012 0.000 1.176 230 A CA 0.567 52.609 52.037 0.009 0.000 0.628 230 A CB -0.619 18.371 19.000 -0.018 0.000 0.816 230 A HN 0.165 nan 8.150 nan 0.000 0.444 231 L N -1.647 119.523 121.223 -0.087 0.000 2.046 231 L HA -0.206 3.573 4.340 -0.936 0.000 0.208 231 L C 2.602 179.498 176.870 0.043 0.000 1.077 231 L CA 1.332 56.121 54.840 -0.085 0.000 0.747 231 L CB -0.605 41.320 42.059 -0.223 0.000 0.896 231 L HN 0.437 nan 8.230 nan 0.000 0.432 232 Y N -0.170 120.148 120.300 0.030 0.000 2.092 232 Y HA -0.275 3.713 4.550 -0.936 0.000 0.282 232 Y C 2.529 178.450 175.900 0.035 0.000 1.126 232 Y CA 1.101 59.214 58.100 0.022 0.000 1.111 232 Y CB -0.988 37.474 38.460 0.002 0.000 0.987 232 Y HN 0.194 nan 8.280 nan 0.000 0.489 233 D N -0.837 119.699 120.400 0.225 0.000 2.172 233 D HA -0.250 3.828 4.640 -0.936 0.000 0.196 233 D C 2.080 178.451 176.300 0.118 0.000 0.999 233 D CA 1.636 55.716 54.000 0.135 0.000 0.856 233 D CB -0.369 40.497 40.800 0.110 0.000 0.934 233 D HN 0.464 nan 8.370 nan 0.000 0.453 234 H N -0.909 118.188 119.070 0.045 0.000 2.512 234 H HA 0.061 4.053 4.556 -0.940 0.000 0.279 234 H C -0.421 174.922 175.328 0.025 0.000 0.999 234 H CA 1.026 57.087 56.048 0.023 0.000 1.283 234 H CB 0.516 30.280 29.762 0.003 0.000 1.421 234 H HN 0.082 nan 8.280 nan 0.000 0.554 235 D N -0.382 120.076 120.400 0.096 0.000 2.886 235 D HA 0.002 4.081 4.640 -0.936 0.000 0.216 235 D C 0.351 176.703 176.300 0.087 0.000 1.256 235 D CA -0.346 53.684 54.000 0.049 0.000 0.844 235 D CB 1.332 42.206 40.800 0.124 0.000 1.669 235 D HN 0.426 nan 8.370 nan 0.000 0.513 236 E N 2.058 122.281 120.200 0.038 0.000 2.415 236 E HA 0.059 3.848 4.350 -0.936 0.000 0.197 236 E C 1.064 177.685 176.600 0.034 0.000 1.007 236 E CA -0.113 56.306 56.400 0.033 0.000 0.890 236 E CB 0.339 30.039 29.700 -0.001 0.000 0.891 236 E HN 0.214 nan 8.360 nan 0.000 0.496 237 K N 1.224 121.645 120.400 0.034 0.000 2.555 237 K HA 0.098 3.856 4.320 -0.936 0.000 0.193 237 K C 0.121 176.752 176.600 0.051 0.000 1.032 237 K CA 0.007 56.312 56.287 0.030 0.000 1.004 237 K CB 0.070 32.582 32.500 0.019 0.000 0.804 237 K HN 0.159 nan 8.250 nan 0.000 0.496 238 I N 3.869 124.491 120.570 0.086 0.000 2.371 238 I HA 0.149 3.757 4.170 -0.936 0.000 0.290 238 I C -1.849 174.354 176.117 0.142 0.000 1.028 238 I CA -2.326 59.045 61.300 0.118 0.000 1.345 238 I CB 1.009 39.101 38.000 0.152 0.000 1.407 238 I HN 0.062 nan 8.210 nan 0.000 0.501 239 P HA 0.250 nan 4.420 nan 0.000 0.274 239 P C -2.650 174.765 177.300 0.191 0.000 1.246 239 P CA -1.472 61.693 63.100 0.109 0.000 0.795 239 P CB -0.375 31.363 31.700 0.063 0.000 1.006 240 P HA 0.147 nan 4.420 nan 0.000 0.267 240 P C -0.256 177.081 177.300 0.062 0.000 1.200 240 P CA 0.638 63.802 63.100 0.105 0.000 0.772 240 P CB 0.228 31.897 31.700 -0.052 0.000 0.855 241 I N 2.738 123.310 120.570 0.003 0.000 2.404 241 I HA 0.289 3.897 4.170 -0.936 0.000 0.293 241 I C -0.503 175.457 176.117 -0.261 0.000 0.992 241 I CA -0.695 60.564 61.300 -0.068 0.000 1.149 241 I CB 1.109 39.036 38.000 -0.123 0.000 1.315 241 I HN 0.300 nan 8.210 nan 0.000 0.446 242 Y N 4.826 125.188 120.300 0.104 0.000 2.388 242 Y HA 0.542 4.530 4.550 -0.937 0.000 0.328 242 Y C 0.400 176.348 175.900 0.080 0.000 0.963 242 Y CA -0.838 57.328 58.100 0.111 0.000 1.240 242 Y CB 1.547 40.091 38.460 0.141 0.000 1.118 242 Y HN 0.569 nan 8.280 nan 0.000 0.484 243 A N 2.626 125.550 122.820 0.172 0.000 2.350 243 A HA 0.491 4.250 4.320 -0.936 0.000 0.293 243 A C 0.677 178.385 177.584 0.206 0.000 1.231 243 A CA -0.249 51.881 52.037 0.155 0.000 0.883 243 A CB -0.126 18.947 19.000 0.121 0.000 1.133 243 A HN 0.925 nan 8.150 nan 0.000 0.533 244 V N 1.176 121.216 119.914 0.210 0.000 3.252 244 V HA 0.495 4.054 4.120 -0.936 0.000 0.320 244 V C 0.701 176.932 176.094 0.228 0.000 1.459 244 V CA 0.431 62.872 62.300 0.236 0.000 1.095 244 V CB -0.350 31.652 31.823 0.299 0.000 0.997 244 V HN 0.845 nan 8.190 nan 0.000 0.469 245 G N 1.079 110.018 108.800 0.231 0.000 2.537 245 G HA2 0.634 4.033 3.960 -0.936 0.000 0.297 245 G HA3 0.634 4.033 3.960 -0.936 0.000 0.297 245 G C -2.948 172.074 174.900 0.202 0.000 1.310 245 G CA -1.724 43.510 45.100 0.224 0.000 1.027 245 G HN 0.332 nan 8.290 nan 0.000 0.505 246 P HA 0.238 nan 4.420 nan 0.000 0.270 246 P C -0.569 176.748 177.300 0.029 0.000 1.223 246 P CA -0.080 63.062 63.100 0.070 0.000 0.785 246 P CB 0.717 32.402 31.700 -0.026 0.000 0.923 247 L N 2.425 123.671 121.223 0.037 0.000 2.433 247 L HA 0.382 4.161 4.340 -0.936 0.000 0.256 247 L C -0.557 176.320 176.870 0.011 0.000 1.063 247 L CA -0.188 54.700 54.840 0.079 0.000 0.922 247 L CB 0.075 42.269 42.059 0.226 0.000 1.238 247 L HN 0.194 nan 8.230 nan 0.000 0.466 248 L N 1.242 122.395 121.223 -0.117 0.000 2.330 248 L HA 0.488 4.266 4.340 -0.936 0.000 0.271 248 L C -0.141 176.678 176.870 -0.086 0.000 1.013 248 L CA -0.670 54.086 54.840 -0.141 0.000 0.816 248 L CB 2.034 43.883 42.059 -0.351 0.000 1.287 248 L HN 0.249 nan 8.230 nan 0.000 0.435 249 D N 2.114 122.514 120.400 -0.000 0.000 2.518 249 D HA 0.218 4.296 4.640 -0.936 0.000 0.230 249 D C 0.785 177.105 176.300 0.033 0.000 1.138 249 D CA -0.144 53.889 54.000 0.054 0.000 0.964 249 D CB 0.614 41.512 40.800 0.163 0.000 1.011 249 D HN 0.424 nan 8.370 nan 0.000 0.517 250 L N 1.981 123.186 121.223 -0.030 0.000 2.456 250 L HA -0.085 3.693 4.340 -0.936 0.000 0.224 250 L C 2.258 179.165 176.870 0.063 0.000 1.148 250 L CA 0.469 55.314 54.840 0.009 0.000 0.825 250 L CB -0.149 41.883 42.059 -0.044 0.000 0.937 250 L HN 0.160 nan 8.230 nan 0.000 0.450 251 K N 0.913 121.351 120.400 0.063 0.000 1.973 251 K HA 0.103 3.861 4.320 -0.936 0.000 0.210 251 K C 0.960 177.626 176.600 0.110 0.000 1.045 251 K CA 1.071 57.406 56.287 0.080 0.000 0.937 251 K CB -0.479 32.067 32.500 0.078 0.000 0.721 251 K HN 0.281 nan 8.250 nan 0.000 0.438 252 G N 2.180 111.066 108.800 0.142 0.000 3.444 252 G HA2 -0.177 3.222 3.960 -0.936 0.000 0.685 252 G HA3 -0.177 3.222 3.960 -0.936 0.000 0.685 252 G C -0.751 174.277 174.900 0.213 0.000 1.145 252 G CA -0.458 44.745 45.100 0.171 0.000 0.973 252 G HN 0.254 nan 8.290 nan 0.000 0.525 253 Q N 3.536 123.480 119.800 0.240 0.000 2.320 253 Q HA 0.119 3.897 4.340 -0.936 0.000 0.311 253 Q C -0.802 175.283 176.000 0.141 0.000 1.083 253 Q CA -0.246 55.665 55.803 0.180 0.000 1.001 253 Q CB 0.686 29.367 28.738 -0.094 0.000 1.074 253 Q HN 0.359 nan 8.270 nan 0.000 0.379 254 P HA -0.160 nan 4.420 nan 0.000 0.210 254 P C -0.487 176.813 177.300 0.001 0.000 1.185 254 P CA 1.270 64.414 63.100 0.074 0.000 0.924 254 P CB 0.200 31.932 31.700 0.053 0.000 0.786 255 N N -1.097 117.528 118.700 -0.125 0.000 2.381 255 N HA 0.103 4.282 4.740 -0.936 0.000 0.254 255 N C -2.214 172.952 175.510 -0.572 0.000 1.264 255 N CA -1.297 51.589 53.050 -0.274 0.000 0.942 255 N CB -0.811 37.488 38.487 -0.313 0.000 1.190 255 N HN -0.027 nan 8.380 nan 0.000 0.495 256 P HA -0.013 nan 4.420 nan 0.000 0.286 256 P C -0.928 176.257 177.300 -0.192 0.000 1.577 256 P CA 0.734 63.569 63.100 -0.442 0.000 0.805 256 P CB -0.161 31.271 31.700 -0.446 0.000 1.706 257 K N 1.075 121.404 120.400 -0.118 0.000 2.478 257 K HA 0.226 3.985 4.320 -0.936 0.000 0.236 257 K C 0.517 177.108 176.600 -0.015 0.000 1.021 257 K CA -0.425 55.862 56.287 -0.000 0.000 1.010 257 K CB 0.319 32.886 32.500 0.111 0.000 1.331 257 K HN 0.031 nan 8.250 nan 0.000 0.470 258 L N 1.961 123.169 121.223 -0.026 0.000 2.141 258 L HA -0.124 3.654 4.340 -0.936 0.000 0.209 258 L C 1.555 178.416 176.870 -0.015 0.000 1.094 258 L CA 1.206 56.030 54.840 -0.027 0.000 0.763 258 L CB -0.119 41.923 42.059 -0.028 0.000 0.908 258 L HN 0.737 nan 8.230 nan 0.000 0.437 259 D N -1.249 119.147 120.400 -0.006 0.000 3.168 259 D HA 0.048 4.126 4.640 -0.936 0.000 0.219 259 D C 0.437 176.729 176.300 -0.013 0.000 1.310 259 D CA 0.585 54.577 54.000 -0.012 0.000 1.348 259 D CB 0.755 41.550 40.800 -0.008 0.000 0.925 259 D HN 0.239 nan 8.370 nan 0.000 0.185 260 Q N -1.025 118.780 119.800 0.007 0.000 1.477 260 Q HA 0.234 4.012 4.340 -0.936 0.000 0.138 260 Q C 0.464 176.502 176.000 0.063 0.000 0.717 260 Q CA 0.644 56.467 55.803 0.034 0.000 0.695 260 Q CB -0.970 27.688 28.738 -0.133 0.000 1.206 260 Q HN 0.159 nan 8.270 nan 0.000 0.326 261 A N 1.198 124.046 122.820 0.046 0.000 1.892 261 A HA -0.295 3.463 4.320 -0.936 0.000 0.218 261 A C 2.085 179.706 177.584 0.061 0.000 1.188 261 A CA 2.254 54.315 52.037 0.040 0.000 0.631 261 A CB -0.378 18.638 19.000 0.026 0.000 0.822 261 A HN 0.438 nan 8.150 nan 0.000 0.447 262 Q N -1.496 118.350 119.800 0.078 0.000 2.163 262 Q HA -0.124 3.654 4.340 -0.936 0.000 0.198 262 Q C 1.942 178.010 176.000 0.114 0.000 0.954 262 Q CA 1.602 57.449 55.803 0.075 0.000 0.851 262 Q CB -0.492 28.285 28.738 0.065 0.000 0.928 262 Q HN 0.789 nan 8.270 nan 0.000 0.459 263 H N 0.397 119.489 119.070 0.037 0.000 2.390 263 H HA -0.148 3.847 4.556 -0.936 0.000 0.298 263 H C 0.645 175.989 175.328 0.027 0.000 1.106 263 H CA 2.020 58.091 56.048 0.038 0.000 1.297 263 H CB 0.139 29.928 29.762 0.044 0.000 1.375 263 H HN 0.333 nan 8.280 nan 0.000 0.509 264 D N 0.193 120.766 120.400 0.288 0.000 2.194 264 D HA -0.092 3.987 4.640 -0.936 0.000 0.204 264 D C 2.445 178.817 176.300 0.119 0.000 0.964 264 D CA 0.390 54.508 54.000 0.198 0.000 0.846 264 D CB -0.385 40.476 40.800 0.102 0.000 0.962 264 D HN 0.284 nan 8.370 nan 0.000 0.490 265 L N 0.921 122.196 121.223 0.087 0.000 2.017 265 L HA -0.105 3.674 4.340 -0.936 0.000 0.208 265 L C 2.038 178.952 176.870 0.073 0.000 1.073 265 L CA 1.420 56.297 54.840 0.062 0.000 0.745 265 L CB -0.544 41.531 42.059 0.026 0.000 0.894 265 L HN -0.018 nan 8.230 nan 0.000 0.432 266 I N -1.141 119.449 120.570 0.033 0.000 2.142 266 I HA -0.346 3.263 4.170 -0.936 0.000 0.240 266 I C 2.391 178.540 176.117 0.053 0.000 1.078 266 I CA 1.505 62.813 61.300 0.012 0.000 1.343 266 I CB -0.423 37.531 38.000 -0.077 0.000 1.046 266 I HN 0.242 nan 8.210 nan 0.000 0.405 267 L N 0.238 121.478 121.223 0.029 0.000 2.093 267 L HA -0.166 3.613 4.340 -0.936 0.000 0.208 267 L C 2.617 179.537 176.870 0.083 0.000 1.085 267 L CA 1.001 55.876 54.840 0.058 0.000 0.755 267 L CB -0.607 41.508 42.059 0.094 0.000 0.904 267 L HN 0.173 nan 8.230 nan 0.000 0.435 268 K N -0.607 119.847 120.400 0.090 0.000 2.097 268 K HA -0.226 3.533 4.320 -0.936 0.000 0.206 268 K C 1.756 178.379 176.600 0.038 0.000 1.049 268 K CA 1.327 57.652 56.287 0.064 0.000 0.933 268 K CB -0.682 31.856 32.500 0.064 0.000 0.717 268 K HN 0.392 nan 8.250 nan 0.000 0.442 269 W N 1.590 122.839 121.300 -0.086 0.000 2.381 269 W HA -0.075 4.023 4.660 -0.936 0.000 0.301 269 W C 1.680 178.098 176.519 -0.168 0.000 1.205 269 W CA 1.073 58.344 57.345 -0.124 0.000 1.285 269 W CB -0.213 29.163 29.460 -0.140 0.000 1.133 269 W HN -0.059 nan 8.180 nan 0.000 0.521 270 L N 0.174 121.313 121.223 -0.140 0.000 2.217 270 L HA -0.158 3.621 4.340 -0.936 0.000 0.211 270 L C 1.887 178.454 176.870 -0.504 0.000 1.107 270 L CA 1.120 55.659 54.840 -0.503 0.000 0.783 270 L CB -0.669 40.951 42.059 -0.731 0.000 0.919 270 L HN -0.148 nan 8.230 nan 0.000 0.442 271 D N 0.231 120.541 120.400 -0.151 0.000 2.310 271 D HA -0.142 3.937 4.640 -0.936 0.000 0.212 271 D C 1.574 177.808 176.300 -0.109 0.000 0.965 271 D CA 0.960 54.984 54.000 0.039 0.000 0.879 271 D CB 0.157 41.000 40.800 0.072 0.000 0.921 271 D HN 0.495 nan 8.370 nan 0.000 0.510 272 E N 0.048 120.084 120.200 -0.273 0.000 2.474 272 E HA 0.017 3.806 4.350 -0.936 0.000 0.195 272 E C 0.296 176.682 176.600 -0.357 0.000 1.039 272 E CA -0.052 56.171 56.400 -0.296 0.000 0.881 272 E CB 0.452 29.948 29.700 -0.339 0.000 0.970 272 E HN 0.180 nan 8.360 nan 0.000 0.486 273 Q N 1.150 120.692 119.800 -0.430 0.000 2.227 273 Q HA 0.312 4.090 4.340 -0.936 0.000 0.245 273 Q C -2.275 173.609 176.000 -0.194 0.000 0.926 273 Q CA -2.393 53.180 55.803 -0.383 0.000 0.895 273 Q CB 0.113 28.543 28.738 -0.514 0.000 1.230 273 Q HN -0.063 nan 8.270 nan 0.000 0.450 274 P HA -0.024 nan 4.420 nan 0.000 0.269 274 P C -0.698 176.576 177.300 -0.044 0.000 1.217 274 P CA -0.024 63.033 63.100 -0.071 0.000 0.783 274 P CB 0.458 32.129 31.700 -0.048 0.000 0.898 275 D N 1.978 122.368 120.400 -0.017 0.000 2.425 275 D HA 0.018 4.097 4.640 -0.936 0.000 0.247 275 D C 0.520 176.834 176.300 0.023 0.000 1.147 275 D CA 0.367 54.372 54.000 0.008 0.000 0.879 275 D CB 0.044 40.849 40.800 0.010 0.000 1.179 275 D HN 0.308 nan 8.370 nan 0.000 0.456 276 K N 0.220 120.646 120.400 0.043 0.000 3.069 276 K HA -0.211 3.547 4.320 -0.936 0.000 0.267 276 K C 0.719 177.365 176.600 0.076 0.000 1.082 276 K CA 0.854 57.183 56.287 0.069 0.000 0.782 276 K CB -1.465 31.081 32.500 0.076 0.000 1.230 276 K HN 0.488 nan 8.250 nan 0.000 0.488 277 S N -1.755 113.979 115.700 0.056 0.000 2.502 277 S HA 0.136 4.044 4.470 -0.936 0.000 0.215 277 S C 0.697 175.364 174.600 0.112 0.000 1.009 277 S CA -0.272 57.970 58.200 0.070 0.000 0.908 277 S CB 0.603 63.822 63.200 0.031 0.000 0.801 277 S HN 0.067 nan 8.310 nan 0.000 0.505 278 V N 2.416 122.396 119.914 0.111 0.000 2.481 278 V HA 0.576 4.134 4.120 -0.936 0.000 0.286 278 V C -0.059 176.176 176.094 0.235 0.000 1.042 278 V CA -0.768 61.643 62.300 0.185 0.000 0.928 278 V CB 1.497 33.413 31.823 0.156 0.000 0.986 278 V HN 0.324 nan 8.190 nan 0.000 0.462 279 V N 6.265 126.367 119.914 0.313 0.000 2.384 279 V HA 0.583 4.142 4.120 -0.936 0.000 0.287 279 V C -0.957 175.381 176.094 0.405 0.000 1.020 279 V CA -0.523 61.967 62.300 0.318 0.000 0.850 279 V CB 1.171 33.154 31.823 0.266 0.000 0.987 279 V HN 0.675 nan 8.190 nan 0.000 0.436 280 F N 8.015 128.087 119.950 0.204 0.000 2.410 280 F HA 0.777 4.742 4.527 -0.936 0.000 0.349 280 F C -0.910 175.054 175.800 0.274 0.000 1.117 280 F CA -1.169 56.940 58.000 0.181 0.000 1.104 280 F CB 1.226 40.223 39.000 -0.006 0.000 1.122 280 F HN 0.438 nan 8.300 nan 0.000 0.483 281 L N 6.970 128.061 121.223 -0.220 0.000 2.341 281 L HA 0.607 4.386 4.340 -0.936 0.000 0.278 281 L C -0.720 175.755 176.870 -0.657 0.000 1.005 281 L CA -0.505 54.111 54.840 -0.374 0.000 0.818 281 L CB 1.540 43.515 42.059 -0.140 0.000 1.259 281 L HN 0.788 nan 8.230 nan 0.000 0.418 282 C N 3.218 121.973 119.300 -0.908 0.000 3.046 282 C HA 0.564 4.463 4.460 -0.936 0.000 0.388 282 C C -0.945 173.548 174.990 -0.828 0.000 1.041 282 C CA -0.744 57.901 59.018 -0.622 0.000 1.241 282 C CB 0.599 27.963 27.740 -0.626 0.000 1.638 282 C HN 0.692 nan 8.230 nan 0.000 0.539 283 F N 4.889 124.755 119.950 -0.139 0.000 2.893 283 F HA 0.568 4.533 4.527 -0.937 0.000 0.340 283 F C 1.139 176.600 175.800 -0.564 0.000 1.300 283 F CA 0.650 58.483 58.000 -0.278 0.000 1.227 283 F CB 0.505 39.365 39.000 -0.233 0.000 1.044 283 F HN 1.245 nan 8.300 nan 0.000 0.512 284 G N 0.508 108.974 108.800 -0.557 0.000 2.699 284 G HA2 -0.182 3.217 3.960 -0.936 0.000 0.686 284 G HA3 -0.182 3.217 3.960 -0.936 0.000 0.686 284 G C 0.668 175.556 174.900 -0.019 0.000 1.301 284 G CA -0.337 44.495 45.100 -0.447 0.000 0.816 284 G HN 0.454 nan 8.290 nan 0.000 0.595 285 S N -0.225 115.572 115.700 0.162 0.000 2.355 285 S HA -0.122 3.786 4.470 -0.936 0.000 0.222 285 S C 2.461 177.205 174.600 0.240 0.000 1.031 285 S CA 2.270 60.690 58.200 0.367 0.000 0.993 285 S CB -0.306 63.158 63.200 0.440 0.000 0.859 285 S HN 0.820 nan 8.310 nan 0.000 0.453 286 M N 1.880 121.558 119.600 0.129 0.000 2.146 286 M HA 0.041 3.960 4.480 -0.936 0.000 0.256 286 M C 1.677 177.966 176.300 -0.019 0.000 1.075 286 M CA 1.470 56.763 55.300 -0.011 0.000 1.082 286 M CB -1.448 31.113 32.600 -0.065 0.000 1.355 286 M HN 0.757 nan 8.290 nan 0.000 0.402 287 G N -0.321 108.493 108.800 0.024 0.000 2.212 287 G HA2 -0.169 3.230 3.960 -0.936 0.000 0.255 287 G HA3 -0.169 3.230 3.960 -0.936 0.000 0.255 287 G C -0.117 174.729 174.900 -0.090 0.000 1.062 287 G CA -0.019 45.085 45.100 0.008 0.000 0.815 287 G HN 0.366 nan 8.290 nan 0.000 0.497 288 V N 1.164 120.984 119.914 -0.156 0.000 2.459 288 V HA 0.219 3.777 4.120 -0.936 0.000 0.255 288 V C 1.409 177.292 176.094 -0.353 0.000 1.015 288 V CA 1.209 63.348 62.300 -0.269 0.000 1.163 288 V CB 0.530 32.167 31.823 -0.310 0.000 1.109 288 V HN 0.702 nan 8.190 nan 0.000 0.473 289 S N 5.562 121.116 115.700 -0.242 0.000 2.505 289 S HA 0.438 4.347 4.470 -0.936 0.000 0.276 289 S C -0.168 174.310 174.600 -0.204 0.000 1.274 289 S CA -0.602 57.474 58.200 -0.206 0.000 1.053 289 S CB -0.077 63.062 63.200 -0.102 0.000 0.919 289 S HN 0.362 nan 8.310 nan 0.000 0.490 290 F N 2.938 122.800 119.950 -0.146 0.000 2.444 290 F HA 0.407 4.372 4.527 -0.936 0.000 0.331 290 F C 1.599 177.340 175.800 -0.099 0.000 1.167 290 F CA 0.258 58.179 58.000 -0.131 0.000 1.262 290 F CB 0.160 39.029 39.000 -0.218 0.000 1.196 290 F HN 0.664 nan 8.300 nan 0.000 0.583 291 G N 1.582 110.480 108.800 0.163 0.000 2.667 291 G HA2 0.229 3.628 3.960 -0.936 0.000 0.250 291 G HA3 0.229 3.628 3.960 -0.936 0.000 0.250 291 G C -1.995 172.905 174.900 0.001 0.000 1.212 291 G CA -0.935 44.196 45.100 0.051 0.000 0.874 291 G HN 0.429 nan 8.290 nan 0.000 0.561 292 P HA -0.123 nan 4.420 nan 0.000 0.215 292 P C 2.328 179.576 177.300 -0.088 0.000 1.157 292 P CA 1.839 64.882 63.100 -0.094 0.000 0.874 292 P CB 0.124 31.775 31.700 -0.081 0.000 0.790 293 S N -0.704 114.965 115.700 -0.052 0.000 2.359 293 S HA -0.274 3.635 4.470 -0.936 0.000 0.223 293 S C 2.076 176.634 174.600 -0.069 0.000 1.039 293 S CA 1.757 59.926 58.200 -0.052 0.000 1.042 293 S CB -1.007 62.177 63.200 -0.026 0.000 0.915 293 S HN 0.181 nan 8.310 nan 0.000 0.439 294 Q N 0.870 120.635 119.800 -0.060 0.000 2.096 294 Q HA -0.057 3.722 4.340 -0.936 0.000 0.204 294 Q C 1.919 177.817 176.000 -0.170 0.000 0.982 294 Q CA 1.381 57.103 55.803 -0.135 0.000 0.850 294 Q CB -0.429 28.191 28.738 -0.196 0.000 0.901 294 Q HN 0.421 nan 8.270 nan 0.000 0.422 295 I N 0.159 120.668 120.570 -0.102 0.000 2.179 295 I HA -0.279 3.330 4.170 -0.936 0.000 0.242 295 I C 2.224 178.313 176.117 -0.046 0.000 1.088 295 I CA 1.583 62.864 61.300 -0.031 0.000 1.357 295 I CB -0.930 36.943 38.000 -0.213 0.000 1.051 295 I HN 0.297 nan 8.210 nan 0.000 0.409 296 R N 0.378 120.798 120.500 -0.133 0.000 2.105 296 R HA -0.165 3.613 4.340 -0.936 0.000 0.239 296 R C 2.156 178.366 176.300 -0.150 0.000 1.135 296 R CA 1.095 57.114 56.100 -0.135 0.000 0.967 296 R CB -0.124 30.110 30.300 -0.111 0.000 0.861 296 R HN 0.390 nan 8.270 nan 0.000 0.442 297 E N 0.576 120.694 120.200 -0.138 0.000 2.106 297 E HA -0.130 3.659 4.350 -0.936 0.000 0.192 297 E C 2.057 178.541 176.600 -0.193 0.000 0.984 297 E CA 0.972 57.281 56.400 -0.153 0.000 0.806 297 E CB -0.062 29.566 29.700 -0.120 0.000 0.750 297 E HN 0.399 nan 8.360 nan 0.000 0.458 298 I N 1.019 121.463 120.570 -0.211 0.000 2.315 298 I HA -0.229 3.380 4.170 -0.936 0.000 0.248 298 I C 2.445 178.297 176.117 -0.441 0.000 1.117 298 I CA 0.861 61.959 61.300 -0.337 0.000 1.404 298 I CB -0.284 37.407 38.000 -0.514 0.000 1.071 298 I HN -0.010 nan 8.210 nan 0.000 0.419 299 A N 0.864 123.493 122.820 -0.318 0.000 1.858 299 A HA -0.221 3.537 4.320 -0.936 0.000 0.216 299 A C 2.234 179.590 177.584 -0.380 0.000 1.190 299 A CA 1.465 53.235 52.037 -0.446 0.000 0.617 299 A CB -0.882 17.668 19.000 -0.750 0.000 0.827 299 A HN 0.343 nan 8.150 nan 0.000 0.443 300 L N 0.359 121.379 121.223 -0.338 0.000 2.012 300 L HA -0.074 3.705 4.340 -0.936 0.000 0.210 300 L C 2.443 179.086 176.870 -0.378 0.000 1.073 300 L CA 2.424 57.046 54.840 -0.364 0.000 0.748 300 L CB -1.314 40.520 42.059 -0.376 0.000 0.891 300 L HN 0.339 nan 8.230 nan 0.000 0.431 301 G N -0.450 108.176 108.800 -0.289 0.000 2.469 301 G HA2 -0.290 3.109 3.960 -0.936 0.000 0.219 301 G HA3 -0.290 3.109 3.960 -0.936 0.000 0.219 301 G C 1.644 176.461 174.900 -0.137 0.000 1.150 301 G CA 1.288 46.268 45.100 -0.200 0.000 0.763 301 G HN 0.458 nan 8.290 nan 0.000 0.561 302 L N -0.090 121.015 121.223 -0.196 0.000 2.017 302 L HA -0.054 3.725 4.340 -0.936 0.000 0.208 302 L C 2.853 179.782 176.870 0.100 0.000 1.073 302 L CA 1.657 56.402 54.840 -0.158 0.000 0.745 302 L CB -0.375 41.366 42.059 -0.530 0.000 0.894 302 L HN 0.204 nan 8.230 nan 0.000 0.432 303 K N -0.772 119.688 120.400 0.100 0.000 2.026 303 K HA -0.219 3.540 4.320 -0.936 0.000 0.208 303 K C 2.271 178.938 176.600 0.112 0.000 1.048 303 K CA 1.503 57.791 56.287 0.003 0.000 0.929 303 K CB -0.055 32.245 32.500 -0.334 0.000 0.713 303 K HN 0.268 nan 8.250 nan 0.000 0.439 304 H N 0.206 119.249 119.070 -0.046 0.000 2.387 304 H HA -0.094 3.900 4.556 -0.936 0.000 0.299 304 H C 2.334 177.676 175.328 0.023 0.000 1.099 304 H CA 1.724 57.756 56.048 -0.026 0.000 1.315 304 H CB -0.610 29.130 29.762 -0.037 0.000 1.380 304 H HN 0.358 nan 8.280 nan 0.000 0.513 305 S N -0.933 114.871 115.700 0.174 0.000 2.400 305 S HA -0.090 3.819 4.470 -0.936 0.000 0.232 305 S C 2.127 176.825 174.600 0.163 0.000 1.025 305 S CA 1.230 59.512 58.200 0.138 0.000 0.993 305 S CB -0.608 62.659 63.200 0.111 0.000 0.808 305 S HN 0.701 nan 8.310 nan 0.000 0.478 306 G N 0.515 109.449 108.800 0.224 0.000 2.184 306 G HA2 -0.276 3.122 3.960 -0.936 0.000 0.264 306 G HA3 -0.276 3.122 3.960 -0.936 0.000 0.264 306 G C 0.259 175.324 174.900 0.274 0.000 0.975 306 G CA 0.467 45.716 45.100 0.249 0.000 0.642 306 G HN 1.681 nan 8.290 nan 0.000 0.536 307 V N -1.591 118.499 119.914 0.294 0.000 2.834 307 V HA 0.783 4.341 4.120 -0.936 0.000 0.301 307 V C 0.860 177.209 176.094 0.424 0.000 1.066 307 V CA -1.079 61.400 62.300 0.298 0.000 1.052 307 V CB 0.973 32.953 31.823 0.262 0.000 1.021 307 V HN 0.424 nan 8.190 nan 0.000 0.480 308 R N 2.826 123.526 120.500 0.332 0.000 2.637 308 R HA 0.716 4.494 4.340 -0.936 0.000 0.269 308 R C -0.707 175.879 176.300 0.477 0.000 1.089 308 R CA -0.064 56.232 56.100 0.325 0.000 1.177 308 R CB 0.798 31.205 30.300 0.178 0.000 1.091 308 R HN 0.928 nan 8.270 nan 0.000 0.540 309 F N -1.418 118.755 119.950 0.373 0.000 2.725 309 F HA 0.394 4.360 4.527 -0.936 0.000 0.309 309 F C -2.040 173.887 175.800 0.211 0.000 1.132 309 F CA -1.486 56.698 58.000 0.307 0.000 0.957 309 F CB 0.886 40.041 39.000 0.258 0.000 1.286 309 F HN 0.248 nan 8.300 nan 0.000 0.440 310 L N 4.008 125.503 121.223 0.453 0.000 2.324 310 L HA 0.520 4.299 4.340 -0.936 0.000 0.274 310 L C -1.826 175.405 176.870 0.602 0.000 1.012 310 L CA -0.606 54.421 54.840 0.311 0.000 0.859 310 L CB 0.872 43.110 42.059 0.298 0.000 1.224 310 L HN 0.794 nan 8.230 nan 0.000 0.429 311 W N 4.887 126.412 121.300 0.375 0.000 2.349 311 W HA 0.587 4.685 4.660 -0.936 0.000 0.309 311 W C -0.619 176.035 176.519 0.225 0.000 1.083 311 W CA -1.060 56.482 57.345 0.328 0.000 1.224 311 W CB 1.524 31.238 29.460 0.424 0.000 1.256 311 W HN 0.599 nan 8.180 nan 0.000 0.461 312 S N 7.338 123.343 115.700 0.507 0.000 2.438 312 S HA 0.597 4.505 4.470 -0.936 0.000 0.293 312 S C -0.337 174.385 174.600 0.205 0.000 1.141 312 S CA -0.452 57.892 58.200 0.240 0.000 1.080 312 S CB -0.187 63.121 63.200 0.179 0.000 0.978 312 S HN 0.648 nan 8.310 nan 0.000 0.479 313 N N 1.710 120.417 118.700 0.012 0.000 3.020 313 N HA 0.218 4.396 4.740 -0.936 0.000 0.248 313 N C -1.167 174.337 175.510 -0.010 0.000 1.480 313 N CA -0.673 52.377 53.050 0.000 0.000 0.874 313 N CB 0.964 39.331 38.487 -0.200 0.000 1.433 313 N HN 0.452 nan 8.380 nan 0.000 0.530 314 S N -1.810 113.886 115.700 -0.006 0.000 2.809 314 S HA 0.562 4.471 4.470 -0.936 0.000 0.248 314 S C -0.006 174.581 174.600 -0.022 0.000 1.071 314 S CA -0.489 57.712 58.200 0.003 0.000 1.059 314 S CB -0.332 62.878 63.200 0.017 0.000 0.923 314 S HN 0.854 nan 8.310 nan 0.000 0.516 315 A N 1.540 124.329 122.820 -0.052 0.000 2.310 315 A HA 0.559 4.318 4.320 -0.936 0.000 0.299 315 A C 0.357 177.931 177.584 -0.017 0.000 1.147 315 A CA -0.624 51.352 52.037 -0.102 0.000 0.818 315 A CB 0.320 19.145 19.000 -0.291 0.000 1.096 315 A HN 0.579 nan 8.150 nan 0.000 0.495 316 E N 1.385 121.568 120.200 -0.027 0.000 2.415 316 E HA 0.018 3.807 4.350 -0.936 0.000 0.262 316 E C 0.276 176.964 176.600 0.146 0.000 1.038 316 E CA -0.440 55.986 56.400 0.042 0.000 0.921 316 E CB 0.616 30.323 29.700 0.012 0.000 0.950 316 E HN 0.500 nan 8.360 nan 0.000 0.438 317 K N 2.477 123.008 120.400 0.218 0.000 2.152 317 K HA -0.203 3.555 4.320 -0.936 0.000 0.206 317 K C 1.850 178.661 176.600 0.351 0.000 1.048 317 K CA 1.548 58.043 56.287 0.347 0.000 0.933 317 K CB -0.242 32.353 32.500 0.157 0.000 0.721 317 K HN 0.515 nan 8.250 nan 0.000 0.447 318 K N 0.545 121.048 120.400 0.172 0.000 2.283 318 K HA -0.024 3.735 4.320 -0.936 0.000 0.202 318 K C 1.878 178.531 176.600 0.088 0.000 1.048 318 K CA 0.850 57.210 56.287 0.122 0.000 0.948 318 K CB -0.252 32.286 32.500 0.064 0.000 0.742 318 K HN -0.199 nan 8.250 nan 0.000 0.458 319 V N 1.484 121.403 119.914 0.009 0.000 2.407 319 V HA -0.121 3.438 4.120 -0.936 0.000 0.248 319 V C 0.946 176.939 176.094 -0.169 0.000 1.055 319 V CA 1.071 63.282 62.300 -0.148 0.000 1.049 319 V CB -0.622 31.005 31.823 -0.328 0.000 0.662 319 V HN 0.174 nan 8.190 nan 0.000 0.455 320 F N 0.576 120.539 119.950 0.022 0.000 2.539 320 F HA 0.230 4.195 4.527 -0.936 0.000 0.340 320 F C -1.500 174.326 175.800 0.043 0.000 1.185 320 F CA -2.044 55.972 58.000 0.027 0.000 1.333 320 F CB -0.916 38.175 39.000 0.151 0.000 1.152 320 F HN 0.008 nan 8.300 nan 0.000 0.602 321 P HA 0.025 nan 4.420 nan 0.000 0.268 321 P C -0.927 176.501 177.300 0.213 0.000 1.208 321 P CA -0.155 63.020 63.100 0.126 0.000 0.777 321 P CB 0.392 32.120 31.700 0.047 0.000 0.875 322 E N 0.866 121.156 120.200 0.150 0.000 2.384 322 E HA 0.261 4.050 4.350 -0.936 0.000 0.266 322 E C 1.249 177.957 176.600 0.180 0.000 1.012 322 E CA 0.770 57.263 56.400 0.154 0.000 0.901 322 E CB -0.115 29.646 29.700 0.102 0.000 0.967 322 E HN 0.759 nan 8.360 nan 0.000 0.435 323 G N 2.763 111.679 108.800 0.193 0.000 2.299 323 G HA2 -0.378 3.020 3.960 -0.936 0.000 0.237 323 G HA3 -0.378 3.020 3.960 -0.936 0.000 0.237 323 G C 0.646 175.727 174.900 0.303 0.000 1.027 323 G CA 0.311 45.532 45.100 0.203 0.000 0.619 323 G HN 0.586 nan 8.290 nan 0.000 0.513 324 F N 1.770 121.839 119.950 0.198 0.000 2.025 324 F HA 0.044 4.009 4.527 -0.936 0.000 0.297 324 F C 2.715 178.696 175.800 0.301 0.000 1.132 324 F CA 2.559 60.737 58.000 0.298 0.000 1.191 324 F CB -0.593 38.577 39.000 0.283 0.000 0.963 324 F HN 0.213 nan 8.300 nan 0.000 0.481 325 L N -0.146 121.147 121.223 0.117 0.000 2.042 325 L HA -0.234 3.544 4.340 -0.936 0.000 0.210 325 L C 2.371 179.183 176.870 -0.096 0.000 1.076 325 L CA 1.844 56.612 54.840 -0.119 0.000 0.749 325 L CB -0.978 41.043 42.059 -0.064 0.000 0.893 325 L HN 0.235 nan 8.230 nan 0.000 0.432 326 E N -0.551 119.664 120.200 0.025 0.000 2.031 326 E HA -0.287 3.501 4.350 -0.936 0.000 0.193 326 E C 1.886 178.501 176.600 0.025 0.000 0.994 326 E CA 1.676 58.092 56.400 0.027 0.000 0.800 326 E CB -0.348 29.402 29.700 0.083 0.000 0.752 326 E HN 0.514 nan 8.360 nan 0.000 0.447 327 W N 1.317 122.571 121.300 -0.077 0.000 2.331 327 W HA -0.225 3.873 4.660 -0.936 0.000 0.291 327 W C 1.888 178.327 176.519 -0.133 0.000 1.214 327 W CA 1.630 58.932 57.345 -0.071 0.000 1.228 327 W CB -0.125 29.320 29.460 -0.025 0.000 1.135 327 W HN 0.013 nan 8.180 nan 0.000 0.537 328 M N -0.346 118.932 119.600 -0.536 0.000 2.098 328 M HA -0.136 3.782 4.480 -0.936 0.000 0.262 328 M C 1.930 177.921 176.300 -0.516 0.000 1.072 328 M CA 1.997 56.825 55.300 -0.787 0.000 1.133 328 M CB -0.588 31.614 32.600 -0.662 0.000 1.344 328 M HN -0.132 nan 8.290 nan 0.000 0.414 329 E N 0.323 120.325 120.200 -0.331 0.000 2.478 329 E HA -0.134 3.654 4.350 -0.936 0.000 0.198 329 E C 1.346 177.849 176.600 -0.161 0.000 1.046 329 E CA 0.596 56.866 56.400 -0.216 0.000 0.870 329 E CB 0.178 29.785 29.700 -0.154 0.000 0.818 329 E HN 0.292 nan 8.360 nan 0.000 0.527 330 L N -0.417 120.695 121.223 -0.186 0.000 2.488 330 L HA 0.200 3.979 4.340 -0.936 0.000 0.186 330 L C 1.623 178.407 176.870 -0.143 0.000 1.124 330 L CA 1.143 55.914 54.840 -0.115 0.000 0.838 330 L CB -0.213 41.819 42.059 -0.045 0.000 1.107 330 L HN -0.096 nan 8.230 nan 0.000 0.494 331 E N 0.561 120.615 120.200 -0.243 0.000 2.347 331 E HA 0.036 3.824 4.350 -0.936 0.000 0.196 331 E C 1.305 177.753 176.600 -0.253 0.000 1.008 331 E CA 0.780 57.046 56.400 -0.222 0.000 0.852 331 E CB -0.346 29.202 29.700 -0.254 0.000 0.783 331 E HN 0.668 nan 8.360 nan 0.000 0.505 332 G N 2.033 110.638 108.800 -0.325 0.000 2.269 332 G HA2 -0.371 3.028 3.960 -0.936 0.000 0.277 332 G HA3 -0.371 3.028 3.960 -0.936 0.000 0.277 332 G C 0.914 175.762 174.900 -0.087 0.000 1.008 332 G CA 1.116 46.118 45.100 -0.163 0.000 0.774 332 G HN 0.321 nan 8.290 nan 0.000 0.511 333 K N -0.336 119.872 120.400 -0.321 0.000 2.432 333 K HA 0.256 4.014 4.320 -0.936 0.000 0.196 333 K C 1.570 178.039 176.600 -0.218 0.000 1.038 333 K CA 0.719 56.918 56.287 -0.147 0.000 0.986 333 K CB 0.311 32.784 32.500 -0.046 0.000 0.782 333 K HN 0.517 nan 8.250 nan 0.000 0.485 334 G N 0.409 108.804 108.800 -0.674 0.000 2.866 334 G HA2 0.692 4.091 3.960 -0.936 0.000 0.289 334 G HA3 0.692 4.091 3.960 -0.936 0.000 0.289 334 G C -1.703 172.424 174.900 -1.289 0.000 1.396 334 G CA -0.599 43.612 45.100 -1.482 0.000 0.848 334 G HN 0.036 nan 8.290 nan 0.000 0.515 335 M N -0.006 118.850 119.600 -1.240 0.000 2.569 335 M HA 0.487 4.406 4.480 -0.936 0.000 0.287 335 M C -1.887 174.211 176.300 -0.336 0.000 1.130 335 M CA -0.793 53.980 55.300 -0.878 0.000 0.885 335 M CB 2.007 33.730 32.600 -1.463 0.000 1.759 335 M HN 0.688 nan 8.290 nan 0.000 0.515 336 I N 1.211 121.641 120.570 -0.234 0.000 2.693 336 I HA 0.983 4.592 4.170 -0.936 0.000 0.303 336 I C -0.765 175.277 176.117 -0.126 0.000 1.025 336 I CA -0.698 60.544 61.300 -0.096 0.000 1.086 336 I CB 1.800 39.684 38.000 -0.192 0.000 1.268 336 I HN 0.990 nan 8.210 nan 0.000 0.440 337 C N 1.483 120.749 119.300 -0.056 0.000 3.311 337 C HA 0.881 4.780 4.460 -0.936 0.000 0.325 337 C C 0.534 175.535 174.990 0.019 0.000 1.352 337 C CA 0.020 59.022 59.018 -0.026 0.000 1.308 337 C CB 0.913 28.645 27.740 -0.013 0.000 1.619 337 C HN 1.182 nan 8.230 nan 0.000 0.469 338 G N -0.384 108.447 108.800 0.053 0.000 2.829 338 G HA2 0.410 3.809 3.960 -0.936 0.000 0.173 338 G HA3 0.410 3.809 3.960 -0.936 0.000 0.173 338 G C -0.066 174.932 174.900 0.163 0.000 1.476 338 G CA -0.486 44.678 45.100 0.106 0.000 1.072 338 G HN 1.105 nan 8.290 nan 0.000 0.577 339 W N 1.323 122.650 121.300 0.045 0.000 2.480 339 W HA 0.308 4.406 4.660 -0.937 0.000 0.337 339 W C -0.116 176.435 176.519 0.054 0.000 1.201 339 W CA 0.389 57.768 57.345 0.057 0.000 1.309 339 W CB -0.152 29.332 29.460 0.040 0.000 1.168 339 W HN 0.492 nan 8.180 nan 0.000 0.566 340 A N 7.940 130.387 122.820 -0.620 0.000 2.423 340 A HA 0.584 4.342 4.320 -0.936 0.000 0.304 340 A C -2.219 175.082 177.584 -0.471 0.000 1.104 340 A CA -1.249 50.568 52.037 -0.367 0.000 0.757 340 A CB 1.819 20.744 19.000 -0.125 0.000 1.313 340 A HN 0.420 nan 8.150 nan 0.000 0.423 341 P HA 0.071 nan 4.420 nan 0.000 0.220 341 P C 0.549 177.685 177.300 -0.273 0.000 1.778 341 P CA -0.014 62.951 63.100 -0.226 0.000 0.912 341 P CB 0.437 31.951 31.700 -0.310 0.000 1.861 342 Q N 1.139 120.769 119.800 -0.282 0.000 2.129 342 Q HA -0.284 3.494 4.340 -0.936 0.000 0.218 342 Q C 1.817 177.665 176.000 -0.253 0.000 1.040 342 Q CA 3.623 59.282 55.803 -0.240 0.000 0.913 342 Q CB -0.638 28.053 28.738 -0.077 0.000 1.030 342 Q HN 0.259 nan 8.270 nan 0.000 0.419 343 V N -2.291 117.549 119.914 -0.123 0.000 2.343 343 V HA -0.226 3.333 4.120 -0.936 0.000 0.247 343 V C 1.887 177.841 176.094 -0.234 0.000 1.051 343 V CA 2.289 64.544 62.300 -0.076 0.000 1.036 343 V CB -0.911 30.949 31.823 0.063 0.000 0.654 343 V HN 0.368 nan 8.190 nan 0.000 0.451 344 E N 0.489 120.573 120.200 -0.193 0.000 2.077 344 E HA -0.122 3.667 4.350 -0.936 0.000 0.193 344 E C 2.320 178.740 176.600 -0.300 0.000 0.989 344 E CA 1.630 57.908 56.400 -0.204 0.000 0.800 344 E CB -0.236 29.381 29.700 -0.139 0.000 0.746 344 E HN 0.597 nan 8.360 nan 0.000 0.452 345 V N 1.517 121.193 119.914 -0.398 0.000 2.244 345 V HA -0.258 3.301 4.120 -0.936 0.000 0.244 345 V C 2.376 178.172 176.094 -0.496 0.000 1.042 345 V CA 1.495 63.487 62.300 -0.514 0.000 1.006 345 V CB -0.497 30.752 31.823 -0.957 0.000 0.641 345 V HN 0.269 nan 8.190 nan 0.000 0.446 346 L N 0.213 121.104 121.223 -0.553 0.000 2.187 346 L HA -0.182 3.596 4.340 -0.936 0.000 0.213 346 L C 2.537 179.002 176.870 -0.674 0.000 1.100 346 L CA 1.367 55.931 54.840 -0.460 0.000 0.765 346 L CB -0.648 41.239 42.059 -0.287 0.000 0.904 346 L HN 0.397 nan 8.230 nan 0.000 0.437 347 A N -1.997 120.237 122.820 -0.978 0.000 2.067 347 A HA -0.118 3.640 4.320 -0.936 0.000 0.217 347 A C 1.185 178.526 177.584 -0.404 0.000 1.156 347 A CA 0.272 51.655 52.037 -1.090 0.000 0.683 347 A CB -0.526 17.944 19.000 -0.883 0.000 0.808 347 A HN 0.316 nan 8.150 nan 0.000 0.455 348 H N 1.036 119.895 119.070 -0.352 0.000 2.897 348 H HA 0.061 4.055 4.556 -0.936 0.000 0.347 348 H C 1.269 176.512 175.328 -0.141 0.000 1.068 348 H CA 1.109 57.032 56.048 -0.208 0.000 1.426 348 H CB 0.930 30.573 29.762 -0.197 0.000 1.410 348 H HN 0.498 nan 8.280 nan 0.000 0.597 349 K N 2.989 123.400 120.400 0.020 0.000 2.365 349 K HA 0.020 3.778 4.320 -0.936 0.000 0.199 349 K C 1.617 178.310 176.600 0.155 0.000 1.045 349 K CA 0.980 57.310 56.287 0.072 0.000 0.962 349 K CB 0.209 32.699 32.500 -0.017 0.000 0.759 349 K HN 0.374 nan 8.250 nan 0.000 0.469 350 A N 1.645 124.647 122.820 0.302 0.000 2.014 350 A HA 0.082 3.841 4.320 -0.936 0.000 0.218 350 A C 0.918 178.523 177.584 0.036 0.000 1.163 350 A CA 0.217 52.292 52.037 0.063 0.000 0.652 350 A CB -0.281 18.640 19.000 -0.131 0.000 0.808 350 A HN 0.218 nan 8.150 nan 0.000 0.449 351 I N 0.275 120.871 120.570 0.043 0.000 2.648 351 I HA 0.169 3.777 4.170 -0.936 0.000 0.284 351 I C 1.375 177.552 176.117 0.101 0.000 1.153 351 I CA 0.667 62.002 61.300 0.059 0.000 1.426 351 I CB 0.536 38.539 38.000 0.006 0.000 1.381 351 I HN 0.178 nan 8.210 nan 0.000 0.571 352 G N 4.238 113.122 108.800 0.141 0.000 3.443 352 G HA2 0.476 3.875 3.960 -0.936 0.000 0.252 352 G HA3 0.476 3.875 3.960 -0.936 0.000 0.252 352 G C 0.360 175.377 174.900 0.195 0.000 1.015 352 G CA 0.319 45.520 45.100 0.168 0.000 0.891 352 G HN 0.891 nan 8.290 nan 0.000 0.510 353 G N -0.439 108.488 108.800 0.210 0.000 2.703 353 G HA2 0.478 3.876 3.960 -0.936 0.000 0.294 353 G HA3 0.478 3.876 3.960 -0.936 0.000 0.294 353 G C -2.283 172.817 174.900 0.333 0.000 1.451 353 G CA -0.707 44.531 45.100 0.230 0.000 0.869 353 G HN 0.261 nan 8.290 nan 0.000 0.516 354 F N 1.934 121.946 119.950 0.102 0.000 2.562 354 F HA 0.613 4.579 4.527 -0.935 0.000 0.319 354 F C -0.950 174.848 175.800 -0.003 0.000 1.154 354 F CA -1.694 56.348 58.000 0.070 0.000 0.931 354 F CB 2.171 41.237 39.000 0.110 0.000 1.198 354 F HN 0.334 nan 8.300 nan 0.000 0.444 355 V N 5.653 125.569 119.914 0.005 0.000 2.320 355 V HA 0.435 3.994 4.120 -0.936 0.000 0.265 355 V C 0.023 175.679 176.094 -0.730 0.000 1.048 355 V CA -0.213 61.963 62.300 -0.206 0.000 0.865 355 V CB 0.686 32.501 31.823 -0.013 0.000 1.043 355 V HN 0.798 nan 8.190 nan 0.000 0.474 356 S N 2.528 117.715 115.700 -0.856 0.000 2.607 356 S HA 0.438 4.346 4.470 -0.936 0.000 0.303 356 S C 0.860 175.334 174.600 -0.210 0.000 1.086 356 S CA -0.480 57.136 58.200 -0.973 0.000 0.995 356 S CB 1.127 63.449 63.200 -1.463 0.000 1.084 356 S HN 0.968 nan 8.310 nan 0.000 0.507 357 H N -0.024 118.929 119.070 -0.194 0.000 2.547 357 H HA 0.283 4.278 4.556 -0.936 0.000 0.266 357 H C 0.718 176.075 175.328 0.049 0.000 0.988 357 H CA 0.379 56.494 56.048 0.110 0.000 1.147 357 H CB -0.643 29.226 29.762 0.178 0.000 1.365 357 H HN 0.570 nan 8.280 nan 0.000 0.589 358 C N 1.037 120.201 119.300 -0.226 0.000 4.507 358 C HA -0.118 3.780 4.460 -0.936 0.000 0.285 358 C C 1.619 176.429 174.990 -0.300 0.000 1.335 358 C CA 0.040 58.943 59.018 -0.192 0.000 1.953 358 C CB -2.300 25.423 27.740 -0.029 0.000 1.262 358 C HN 1.019 nan 8.230 nan 0.000 0.776 359 G N -1.089 107.308 108.800 -0.672 0.000 2.544 359 G HA2 0.263 3.662 3.960 -0.936 0.000 0.242 359 G HA3 0.263 3.662 3.960 -0.936 0.000 0.242 359 G C 0.814 175.759 174.900 0.074 0.000 1.247 359 G CA 0.368 45.269 45.100 -0.332 0.000 0.840 359 G HN 0.683 nan 8.290 nan 0.000 0.578 360 W N 1.589 122.831 121.300 -0.096 0.000 2.335 360 W HA -0.189 3.913 4.660 -0.931 0.000 0.311 360 W C 2.058 178.598 176.519 0.035 0.000 1.213 360 W CA 1.119 58.443 57.345 -0.035 0.000 1.274 360 W CB 0.181 29.593 29.460 -0.080 0.000 1.148 360 W HN 0.592 nan 8.180 nan 0.000 0.498 361 N N 0.212 118.922 118.700 0.017 0.000 2.069 361 N HA -0.169 4.010 4.740 -0.936 0.000 0.191 361 N C 1.725 177.227 175.510 -0.014 0.000 1.031 361 N CA 2.083 55.101 53.050 -0.054 0.000 0.852 361 N CB -0.875 37.658 38.487 0.078 0.000 1.018 361 N HN 0.038 nan 8.380 nan 0.000 0.423 362 S N 1.357 117.128 115.700 0.120 0.000 2.370 362 S HA -0.043 3.865 4.470 -0.936 0.000 0.226 362 S C 2.126 176.855 174.600 0.216 0.000 1.033 362 S CA 0.706 59.062 58.200 0.259 0.000 1.011 362 S CB -0.165 63.264 63.200 0.382 0.000 0.852 362 S HN 0.285 nan 8.310 nan 0.000 0.457 363 I N 1.059 121.646 120.570 0.028 0.000 2.252 363 I HA -0.159 3.449 4.170 -0.936 0.000 0.245 363 I C 2.064 178.069 176.117 -0.187 0.000 1.102 363 I CA 1.072 62.342 61.300 -0.050 0.000 1.385 363 I CB -0.351 37.592 38.000 -0.094 0.000 1.064 363 I HN 0.242 nan 8.210 nan 0.000 0.414 364 L N 0.401 121.369 121.223 -0.426 0.000 2.056 364 L HA -0.195 3.583 4.340 -0.936 0.000 0.207 364 L C 2.524 179.361 176.870 -0.056 0.000 1.078 364 L CA 1.479 56.121 54.840 -0.329 0.000 0.749 364 L CB -0.594 41.196 42.059 -0.448 0.000 0.901 364 L HN 0.276 nan 8.230 nan 0.000 0.433 365 E N -0.673 119.532 120.200 0.008 0.000 2.110 365 E HA -0.216 3.573 4.350 -0.936 0.000 0.193 365 E C 2.300 179.073 176.600 0.288 0.000 0.988 365 E CA 1.379 57.865 56.400 0.143 0.000 0.804 365 E CB -0.165 29.636 29.700 0.169 0.000 0.745 365 E HN 0.275 nan 8.360 nan 0.000 0.458 366 S N 0.431 116.282 115.700 0.252 0.000 2.368 366 S HA -0.123 3.786 4.470 -0.936 0.000 0.225 366 S C 2.015 176.748 174.600 0.222 0.000 1.030 366 S CA 1.009 59.386 58.200 0.294 0.000 0.999 366 S CB -0.054 63.386 63.200 0.401 0.000 0.844 366 S HN 0.174 nan 8.310 nan 0.000 0.459 367 M N -0.207 119.476 119.600 0.137 0.000 2.229 367 M HA -0.076 3.843 4.480 -0.936 0.000 0.264 367 M C 2.064 178.381 176.300 0.029 0.000 1.063 367 M CA 1.128 56.474 55.300 0.078 0.000 1.114 367 M CB -0.473 32.158 32.600 0.052 0.000 1.387 367 M HN 0.583 nan 8.290 nan 0.000 0.420 368 W N 0.655 121.844 121.300 -0.185 0.000 2.363 368 W HA -0.199 3.899 4.660 -0.936 0.000 0.296 368 W C 0.757 176.989 176.519 -0.478 0.000 1.212 368 W CA 1.364 58.466 57.345 -0.406 0.000 1.260 368 W CB -0.152 28.950 29.460 -0.597 0.000 1.131 368 W HN 0.143 nan 8.180 nan 0.000 0.530 369 F N 0.624 120.642 119.950 0.113 0.000 2.695 369 F HA 0.321 4.287 4.527 -0.936 0.000 0.303 369 F C 1.710 177.508 175.800 -0.003 0.000 1.091 369 F CA 0.808 58.828 58.000 0.033 0.000 1.300 369 F CB -0.476 38.581 39.000 0.095 0.000 1.071 369 F HN -0.018 nan 8.300 nan 0.000 0.578 370 G N 1.610 110.476 108.800 0.110 0.000 2.333 370 G HA2 -0.211 3.188 3.960 -0.936 0.000 0.296 370 G HA3 -0.211 3.188 3.960 -0.936 0.000 0.296 370 G C -0.443 174.529 174.900 0.119 0.000 1.059 370 G CA 0.090 45.238 45.100 0.080 0.000 1.050 370 G HN 0.165 nan 8.290 nan 0.000 0.508 371 V N 1.191 121.197 119.914 0.154 0.000 2.384 371 V HA 0.463 4.022 4.120 -0.936 0.000 0.287 371 V C -1.620 174.558 176.094 0.140 0.000 1.020 371 V CA -1.777 60.617 62.300 0.157 0.000 0.850 371 V CB 2.072 34.010 31.823 0.192 0.000 0.987 371 V HN 0.216 nan 8.190 nan 0.000 0.436 372 P HA 0.340 nan 4.420 nan 0.000 0.272 372 P C -0.679 176.678 177.300 0.095 0.000 1.223 372 P CA -0.023 63.070 63.100 -0.012 0.000 0.784 372 P CB 0.711 32.261 31.700 -0.250 0.000 0.923 373 I N 2.145 122.758 120.570 0.072 0.000 2.474 373 I HA 0.314 3.923 4.170 -0.936 0.000 0.294 373 I C -0.481 175.644 176.117 0.014 0.000 1.005 373 I CA -1.022 60.312 61.300 0.058 0.000 1.113 373 I CB 1.811 39.829 38.000 0.031 0.000 1.289 373 I HN 0.141 nan 8.210 nan 0.000 0.436 374 L N 6.801 128.023 121.223 -0.002 0.000 2.280 374 L HA 0.401 4.180 4.340 -0.936 0.000 0.287 374 L C 0.401 177.273 176.870 0.003 0.000 1.023 374 L CA 0.009 54.853 54.840 0.007 0.000 0.819 374 L CB 1.282 43.359 42.059 0.030 0.000 1.212 374 L HN 0.688 nan 8.230 nan 0.000 0.420 375 T N 1.881 116.443 114.554 0.013 0.000 2.851 375 T HA 0.226 4.015 4.350 -0.936 0.000 0.298 375 T C -0.433 174.349 174.700 0.137 0.000 0.977 375 T CA -0.331 61.801 62.100 0.055 0.000 1.126 375 T CB 0.563 69.462 68.868 0.050 0.000 0.916 375 T HN 0.686 nan 8.240 nan 0.000 0.529 376 W N 6.957 128.285 121.300 0.046 0.000 1.949 376 W HA 0.320 4.418 4.660 -0.937 0.000 0.299 376 W C -2.931 173.715 176.519 0.211 0.000 0.959 376 W CA -2.836 54.572 57.345 0.104 0.000 1.665 376 W CB 0.907 30.496 29.460 0.214 0.000 1.829 376 W HN 0.589 nan 8.180 nan 0.000 0.375 377 P HA 0.190 nan 4.420 nan 0.000 0.271 377 P C 0.491 178.154 177.300 0.604 0.000 1.233 377 P CA 0.479 63.813 63.100 0.391 0.000 0.789 377 P CB 2.209 34.059 31.700 0.251 0.000 0.951 378 I N -0.872 119.974 120.570 0.460 0.000 3.493 378 I HA 0.106 3.714 4.170 -0.936 0.000 0.262 378 I C -0.030 176.356 176.117 0.449 0.000 1.085 378 I CA 0.004 61.652 61.300 0.580 0.000 1.692 378 I CB 0.063 38.455 38.000 0.653 0.000 1.712 378 I HN 0.266 nan 8.210 nan 0.000 0.412 379 Y N 1.308 121.748 120.300 0.234 0.000 2.429 379 Y HA 0.869 4.856 4.550 -0.938 0.000 0.342 379 Y C 0.203 176.216 175.900 0.188 0.000 1.004 379 Y CA -1.067 57.144 58.100 0.185 0.000 1.075 379 Y CB 0.696 39.254 38.460 0.164 0.000 1.214 379 Y HN 0.445 nan 8.280 nan 0.000 0.455 380 A N 2.366 125.338 122.820 0.253 0.000 5.529 380 A HA -0.304 3.455 4.320 -0.936 0.000 0.259 380 A C 1.117 178.790 177.584 0.149 0.000 2.230 380 A CA 0.850 53.017 52.037 0.217 0.000 0.712 380 A CB -1.941 17.195 19.000 0.227 0.000 1.048 380 A HN 1.151 nan 8.150 nan 0.000 0.341 381 E N 0.685 120.948 120.200 0.106 0.000 2.511 381 E HA 0.151 3.940 4.350 -0.936 0.000 0.196 381 E C 1.470 178.076 176.600 0.011 0.000 1.066 381 E CA 0.880 57.323 56.400 0.071 0.000 0.871 381 E CB -0.225 29.450 29.700 -0.041 0.000 0.863 381 E HN 0.646 nan 8.360 nan 0.000 0.520 382 Q N 0.682 120.468 119.800 -0.023 0.000 2.096 382 Q HA -0.251 3.528 4.340 -0.936 0.000 0.204 382 Q C 1.808 177.841 176.000 0.056 0.000 0.982 382 Q CA 1.902 57.681 55.803 -0.040 0.000 0.850 382 Q CB -0.068 28.596 28.738 -0.123 0.000 0.901 382 Q HN 0.315 nan 8.270 nan 0.000 0.422 383 Q N 0.304 120.160 119.800 0.094 0.000 2.061 383 Q HA -0.175 3.604 4.340 -0.936 0.000 0.204 383 Q C 1.913 177.986 176.000 0.122 0.000 0.984 383 Q CA 1.099 56.976 55.803 0.124 0.000 0.846 383 Q CB -0.387 28.421 28.738 0.116 0.000 0.902 383 Q HN 0.249 nan 8.270 nan 0.000 0.421 384 L N 0.736 122.008 121.223 0.082 0.000 2.012 384 L HA -0.195 3.584 4.340 -0.936 0.000 0.210 384 L C 1.477 178.412 176.870 0.109 0.000 1.073 384 L CA 1.795 56.683 54.840 0.080 0.000 0.748 384 L CB -0.691 41.389 42.059 0.034 0.000 0.891 384 L HN 0.218 nan 8.230 nan 0.000 0.431 385 N N 0.125 118.878 118.700 0.087 0.000 2.069 385 N HA -0.170 4.009 4.740 -0.936 0.000 0.191 385 N C 1.842 177.441 175.510 0.148 0.000 1.031 385 N CA 1.675 54.813 53.050 0.145 0.000 0.852 385 N CB -0.644 37.968 38.487 0.208 0.000 1.018 385 N HN 0.512 nan 8.380 nan 0.000 0.423 386 A N 1.017 123.914 122.820 0.130 0.000 1.883 386 A HA -0.162 3.597 4.320 -0.936 0.000 0.217 386 A C 2.150 179.776 177.584 0.071 0.000 1.186 386 A CA 1.210 53.312 52.037 0.108 0.000 0.624 386 A CB -1.100 17.973 19.000 0.121 0.000 0.822 386 A HN 0.276 nan 8.150 nan 0.000 0.444 387 F N 0.695 120.623 119.950 -0.037 0.000 2.025 387 F HA -0.255 3.713 4.527 -0.932 0.000 0.297 387 F C 2.396 178.100 175.800 -0.159 0.000 1.132 387 F CA 2.383 60.335 58.000 -0.080 0.000 1.191 387 F CB -0.435 38.516 39.000 -0.081 0.000 0.963 387 F HN 0.130 nan 8.300 nan 0.000 0.481 388 R N -0.318 120.000 120.500 -0.303 0.000 2.120 388 R HA -0.145 3.633 4.340 -0.936 0.000 0.234 388 R C 2.112 177.971 176.300 -0.735 0.000 1.123 388 R CA 1.344 57.037 56.100 -0.679 0.000 0.975 388 R CB -0.727 29.130 30.300 -0.738 0.000 0.866 388 R HN 0.339 nan 8.270 nan 0.000 0.446 389 L N 0.117 121.165 121.223 -0.291 0.000 2.012 389 L HA -0.168 3.611 4.340 -0.936 0.000 0.210 389 L C 1.952 178.806 176.870 -0.025 0.000 1.073 389 L CA 1.711 56.593 54.840 0.070 0.000 0.748 389 L CB -0.250 41.926 42.059 0.195 0.000 0.891 389 L HN -0.045 nan 8.230 nan 0.000 0.431 390 V N -1.211 118.625 119.914 -0.130 0.000 2.446 390 V HA -0.073 3.485 4.120 -0.936 0.000 0.244 390 V C 1.836 177.798 176.094 -0.220 0.000 1.039 390 V CA 1.123 63.344 62.300 -0.131 0.000 1.045 390 V CB -0.466 31.290 31.823 -0.113 0.000 0.681 390 V HN 0.285 nan 8.190 nan 0.000 0.459 391 K N -0.309 119.840 120.400 -0.419 0.000 2.437 391 K HA 0.266 4.025 4.320 -0.936 0.000 0.205 391 K C 1.053 177.391 176.600 -0.438 0.000 1.026 391 K CA 0.197 56.214 56.287 -0.450 0.000 1.153 391 K CB 1.063 33.174 32.500 -0.648 0.000 0.863 391 K HN 0.608 nan 8.250 nan 0.000 0.502 392 E N -1.450 118.491 120.200 -0.432 0.000 3.590 392 E HA 0.034 3.822 4.350 -0.936 0.000 0.223 392 E C 0.209 176.668 176.600 -0.235 0.000 1.195 392 E CA -0.073 56.065 56.400 -0.436 0.000 1.670 392 E CB 0.350 29.588 29.700 -0.769 0.000 1.578 392 E HN 0.140 nan 8.360 nan 0.000 0.763 393 W N 1.361 122.630 121.300 -0.052 0.000 3.290 393 W HA 0.386 4.484 4.660 -0.937 0.000 0.287 393 W C 0.928 177.439 176.519 -0.014 0.000 1.288 393 W CA 0.648 57.983 57.345 -0.018 0.000 1.725 393 W CB -0.211 29.255 29.460 0.009 0.000 1.103 393 W HN 0.376 nan 8.180 nan 0.000 0.670 394 G N 1.911 110.777 108.800 0.109 0.000 2.441 394 G HA2 -0.257 3.142 3.960 -0.936 0.000 0.298 394 G HA3 -0.257 3.142 3.960 -0.936 0.000 0.298 394 G C 0.621 175.579 174.900 0.096 0.000 0.949 394 G CA 0.920 46.059 45.100 0.064 0.000 1.072 394 G HN 0.410 nan 8.290 nan 0.000 0.512 395 V N -3.110 116.886 119.914 0.138 0.000 3.528 395 V HA 0.698 4.257 4.120 -0.936 0.000 0.294 395 V C 1.085 177.225 176.094 0.077 0.000 1.404 395 V CA 0.567 62.935 62.300 0.113 0.000 1.065 395 V CB 0.436 32.351 31.823 0.153 0.000 0.904 395 V HN 1.143 nan 8.190 nan 0.000 0.435 396 G N 0.185 109.025 108.800 0.067 0.000 2.612 396 G HA2 0.699 4.097 3.960 -0.936 0.000 0.298 396 G HA3 0.699 4.097 3.960 -0.936 0.000 0.298 396 G C -1.455 173.451 174.900 0.010 0.000 1.336 396 G CA -0.861 44.263 45.100 0.039 0.000 0.953 396 G HN 0.169 nan 8.290 nan 0.000 0.482 397 L N 0.798 122.022 121.223 0.002 0.000 2.325 397 L HA 0.633 4.411 4.340 -0.936 0.000 0.279 397 L C 0.956 177.817 176.870 -0.015 0.000 1.054 397 L CA -0.841 53.995 54.840 -0.006 0.000 0.804 397 L CB 1.881 43.941 42.059 0.002 0.000 1.200 397 L HN 0.626 nan 8.230 nan 0.000 0.436 398 G N 1.521 110.304 108.800 -0.028 0.000 2.322 398 G HA2 0.419 3.818 3.960 -0.936 0.000 0.309 398 G HA3 0.419 3.818 3.960 -0.936 0.000 0.309 398 G C 0.050 174.909 174.900 -0.068 0.000 1.121 398 G CA -0.348 44.730 45.100 -0.038 0.000 0.886 398 G HN 0.551 nan 8.290 nan 0.000 0.447 399 L N 1.673 122.831 121.223 -0.109 0.000 2.349 399 L HA 0.573 4.352 4.340 -0.936 0.000 0.200 399 L C 0.784 177.517 176.870 -0.228 0.000 1.064 399 L CA 0.937 55.654 54.840 -0.204 0.000 0.821 399 L CB 0.115 41.984 42.059 -0.317 0.000 1.027 399 L HN 0.345 nan 8.230 nan 0.000 0.476 400 R N -1.572 118.808 120.500 -0.200 0.000 2.739 400 R HA 0.531 4.310 4.340 -0.936 0.000 0.271 400 R C -0.213 176.091 176.300 0.006 0.000 1.010 400 R CA 0.343 56.374 56.100 -0.116 0.000 0.897 400 R CB 1.713 31.900 30.300 -0.188 0.000 1.236 400 R HN -0.091 nan 8.270 nan 0.000 0.466 401 V N -2.672 117.286 119.914 0.073 0.000 3.400 401 V HA 0.227 3.785 4.120 -0.936 0.000 0.281 401 V C 0.360 176.540 176.094 0.145 0.000 1.617 401 V CA 0.592 62.968 62.300 0.128 0.000 1.044 401 V CB 0.722 32.637 31.823 0.152 0.000 0.858 401 V HN 0.754 nan 8.190 nan 0.000 0.425 402 D N -0.909 119.567 120.400 0.127 0.000 2.469 402 D HA 0.106 4.184 4.640 -0.936 0.000 0.215 402 D C 0.462 176.837 176.300 0.125 0.000 1.154 402 D CA -0.387 53.672 54.000 0.100 0.000 0.832 402 D CB -0.083 40.743 40.800 0.044 0.000 1.008 402 D HN 0.547 nan 8.370 nan 0.000 0.506 403 Y N 3.117 123.461 120.300 0.073 0.000 2.497 403 Y HA 0.230 4.219 4.550 -0.935 0.000 0.334 403 Y C 0.662 176.676 175.900 0.190 0.000 1.199 403 Y CA 0.292 58.465 58.100 0.121 0.000 1.425 403 Y CB 0.505 39.050 38.460 0.142 0.000 1.291 403 Y HN 0.072 nan 8.280 nan 0.000 0.562 404 R N 3.258 123.467 120.500 -0.486 0.000 2.741 404 R HA 0.296 4.075 4.340 -0.936 0.000 0.276 404 R C -1.629 174.482 176.300 -0.315 0.000 1.028 404 R CA -1.284 54.703 56.100 -0.189 0.000 0.865 404 R CB 0.679 30.978 30.300 -0.002 0.000 1.268 404 R HN 0.556 nan 8.270 nan 0.000 0.475 405 K N 0.586 120.950 120.400 -0.060 0.000 2.253 405 K HA 0.140 3.899 4.320 -0.936 0.000 0.273 405 K C 0.082 176.641 176.600 -0.068 0.000 1.118 405 K CA 1.460 57.725 56.287 -0.037 0.000 1.100 405 K CB -0.398 32.114 32.500 0.020 0.000 0.932 405 K HN 0.817 nan 8.250 nan 0.000 0.433 406 G N 1.965 110.701 108.800 -0.106 0.000 3.382 406 G HA2 -0.173 3.226 3.960 -0.936 0.000 0.214 406 G HA3 -0.173 3.226 3.960 -0.936 0.000 0.214 406 G C -0.149 174.689 174.900 -0.104 0.000 1.025 406 G CA -0.332 44.718 45.100 -0.083 0.000 0.869 406 G HN 0.556 nan 8.290 nan 0.000 0.458 407 S N 0.850 116.432 115.700 -0.198 0.000 2.572 407 S HA 0.406 4.315 4.470 -0.936 0.000 0.267 407 S C 0.158 174.742 174.600 -0.026 0.000 1.361 407 S CA 0.302 58.408 58.200 -0.156 0.000 1.009 407 S CB 1.163 64.183 63.200 -0.300 0.000 0.888 407 S HN 0.526 nan 8.310 nan 0.000 0.553 408 D N 0.008 120.420 120.400 0.020 0.000 2.358 408 D HA 0.262 4.341 4.640 -0.936 0.000 0.244 408 D C 0.096 176.469 176.300 0.121 0.000 1.163 408 D CA -0.426 53.602 54.000 0.048 0.000 0.945 408 D CB 0.633 41.444 40.800 0.018 0.000 1.152 408 D HN 0.301 nan 8.370 nan 0.000 0.451 409 V N 0.896 120.864 119.914 0.090 0.000 2.740 409 V HA 0.257 3.815 4.120 -0.936 0.000 0.303 409 V C -0.210 175.902 176.094 0.029 0.000 1.054 409 V CA -0.629 61.726 62.300 0.091 0.000 1.106 409 V CB 1.056 32.897 31.823 0.030 0.000 0.957 409 V HN 0.280 nan 8.190 nan 0.000 0.486 410 V N 6.177 126.080 119.914 -0.018 0.000 2.408 410 V HA 0.562 4.120 4.120 -0.936 0.000 0.267 410 V C 1.043 177.053 176.094 -0.140 0.000 1.047 410 V CA 0.210 62.413 62.300 -0.162 0.000 0.937 410 V CB 0.465 32.008 31.823 -0.466 0.000 0.999 410 V HN 1.348 nan 8.190 nan 0.000 0.472 411 A N 4.526 127.274 122.820 -0.121 0.000 2.462 411 A HA 0.561 4.319 4.320 -0.936 0.000 0.243 411 A C 1.651 179.163 177.584 -0.120 0.000 1.076 411 A CA 0.332 52.308 52.037 -0.102 0.000 0.773 411 A CB 0.395 19.349 19.000 -0.076 0.000 1.010 411 A HN 1.314 nan 8.150 nan 0.000 0.493 412 A N 1.796 124.546 122.820 -0.117 0.000 1.958 412 A HA -0.209 3.549 4.320 -0.936 0.000 0.221 412 A C 1.769 179.297 177.584 -0.093 0.000 1.178 412 A CA 2.443 54.400 52.037 -0.133 0.000 0.642 412 A CB -0.610 18.285 19.000 -0.174 0.000 0.816 412 A HN 0.902 nan 8.150 nan 0.000 0.453 413 E N 0.111 120.273 120.200 -0.062 0.000 2.038 413 E HA -0.188 3.600 4.350 -0.936 0.000 0.195 413 E C 1.973 178.541 176.600 -0.054 0.000 1.000 413 E CA 1.791 58.172 56.400 -0.031 0.000 0.803 413 E CB -0.333 29.353 29.700 -0.024 0.000 0.750 413 E HN 0.802 nan 8.360 nan 0.000 0.448 414 E N 0.203 120.351 120.200 -0.088 0.000 2.031 414 E HA -0.180 3.609 4.350 -0.936 0.000 0.193 414 E C 2.245 178.768 176.600 -0.129 0.000 0.994 414 E CA 1.190 57.522 56.400 -0.114 0.000 0.800 414 E CB -0.293 29.312 29.700 -0.158 0.000 0.752 414 E HN 0.236 nan 8.360 nan 0.000 0.447 415 I N 1.460 121.936 120.570 -0.156 0.000 2.118 415 I HA -0.347 3.261 4.170 -0.936 0.000 0.241 415 I C 2.826 178.895 176.117 -0.079 0.000 1.070 415 I CA 1.721 62.936 61.300 -0.142 0.000 1.327 415 I CB -0.429 37.489 38.000 -0.137 0.000 1.034 415 I HN 0.192 nan 8.210 nan 0.000 0.405 416 E N 1.576 121.742 120.200 -0.057 0.000 2.097 416 E HA -0.317 3.472 4.350 -0.936 0.000 0.196 416 E C 2.217 178.818 176.600 0.001 0.000 1.000 416 E CA 1.664 58.059 56.400 -0.009 0.000 0.804 416 E CB -0.082 29.636 29.700 0.030 0.000 0.740 416 E HN 0.367 nan 8.360 nan 0.000 0.454 417 K N -0.282 120.108 120.400 -0.017 0.000 2.002 417 K HA -0.110 3.649 4.320 -0.936 0.000 0.209 417 K C 2.234 178.827 176.600 -0.010 0.000 1.048 417 K CA 1.373 57.653 56.287 -0.012 0.000 0.930 417 K CB -0.486 31.999 32.500 -0.026 0.000 0.714 417 K HN 0.274 nan 8.250 nan 0.000 0.438 418 G N 1.536 110.316 108.800 -0.034 0.000 2.440 418 G HA2 -0.260 3.138 3.960 -0.936 0.000 0.218 418 G HA3 -0.260 3.138 3.960 -0.936 0.000 0.218 418 G C 1.533 176.438 174.900 0.009 0.000 1.154 418 G CA 0.846 45.929 45.100 -0.027 0.000 0.767 418 G HN 0.196 nan 8.290 nan 0.000 0.552 419 L N 0.033 121.264 121.223 0.013 0.000 1.989 419 L HA -0.144 3.634 4.340 -0.936 0.000 0.211 419 L C 3.054 179.966 176.870 0.070 0.000 1.071 419 L CA 1.812 56.680 54.840 0.047 0.000 0.749 419 L CB -0.370 41.714 42.059 0.041 0.000 0.890 419 L HN 0.217 nan 8.230 nan 0.000 0.431 420 K N -0.289 120.146 120.400 0.059 0.000 2.063 420 K HA -0.186 3.573 4.320 -0.936 0.000 0.208 420 K C 1.723 178.365 176.600 0.071 0.000 1.048 420 K CA 1.591 57.918 56.287 0.066 0.000 0.928 420 K CB -0.267 32.262 32.500 0.049 0.000 0.713 420 K HN 0.329 nan 8.250 nan 0.000 0.442 421 D N 1.047 121.482 120.400 0.059 0.000 2.144 421 D HA -0.143 3.936 4.640 -0.936 0.000 0.200 421 D C 1.893 178.258 176.300 0.108 0.000 0.978 421 D CA 0.807 54.847 54.000 0.067 0.000 0.833 421 D CB -0.172 40.653 40.800 0.041 0.000 0.961 421 D HN 0.049 nan 8.370 nan 0.000 0.470 422 L N 0.139 121.423 121.223 0.101 0.000 2.141 422 L HA -0.068 3.711 4.340 -0.936 0.000 0.209 422 L C 1.892 178.896 176.870 0.223 0.000 1.094 422 L CA 1.282 56.196 54.840 0.123 0.000 0.763 422 L CB -0.135 41.977 42.059 0.090 0.000 0.908 422 L HN -0.103 nan 8.230 nan 0.000 0.437 423 M N -1.025 118.691 119.600 0.193 0.000 2.541 423 M HA 0.088 4.007 4.480 -0.936 0.000 0.252 423 M C 0.237 176.623 176.300 0.143 0.000 1.125 423 M CA 0.095 55.517 55.300 0.203 0.000 1.091 423 M CB -1.057 31.635 32.600 0.154 0.000 1.420 423 M HN 0.186 nan 8.290 nan 0.000 0.486 424 D N 2.447 122.924 120.400 0.128 0.000 2.368 424 D HA -0.063 4.015 4.640 -0.936 0.000 0.268 424 D C 1.138 177.374 176.300 -0.107 0.000 1.298 424 D CA 0.419 54.443 54.000 0.039 0.000 0.938 424 D CB 0.714 41.552 40.800 0.062 0.000 1.101 424 D HN 0.204 nan 8.370 nan 0.000 0.509 425 K N 3.068 123.337 120.400 -0.218 0.000 2.152 425 K HA -0.157 3.601 4.320 -0.936 0.000 0.206 425 K C 0.373 176.783 176.600 -0.316 0.000 1.048 425 K CA 1.129 57.159 56.287 -0.429 0.000 0.933 425 K CB 0.241 32.612 32.500 -0.214 0.000 0.721 425 K HN 0.430 nan 8.250 nan 0.000 0.447 426 D N 0.892 121.215 120.400 -0.127 0.000 2.319 426 D HA -0.032 4.047 4.640 -0.936 0.000 0.230 426 D C 0.447 176.755 176.300 0.015 0.000 1.094 426 D CA 0.145 54.118 54.000 -0.046 0.000 0.856 426 D CB 0.402 41.189 40.800 -0.022 0.000 0.915 426 D HN 0.137 nan 8.370 nan 0.000 0.517 427 S N 0.445 116.181 115.700 0.060 0.000 2.596 427 S HA 0.108 4.017 4.470 -0.936 0.000 0.260 427 S C 1.352 176.049 174.600 0.162 0.000 1.336 427 S CA -0.635 57.652 58.200 0.144 0.000 0.993 427 S CB 1.135 64.483 63.200 0.247 0.000 0.923 427 S HN 0.177 nan 8.310 nan 0.000 0.567 428 I N 2.679 123.321 120.570 0.119 0.000 2.277 428 I HA -0.054 3.555 4.170 -0.936 0.000 0.243 428 I C 1.913 178.096 176.117 0.110 0.000 1.094 428 I CA 1.041 62.398 61.300 0.095 0.000 1.393 428 I CB -0.388 37.647 38.000 0.058 0.000 1.078 428 I HN 0.596 nan 8.210 nan 0.000 0.417 429 V N 1.523 121.490 119.914 0.088 0.000 2.357 429 V HA -0.404 3.154 4.120 -0.936 0.000 0.257 429 V C 2.280 178.368 176.094 -0.010 0.000 1.082 429 V CA 2.602 64.913 62.300 0.020 0.000 1.078 429 V CB -1.432 30.362 31.823 -0.049 0.000 0.663 429 V HN 0.567 nan 8.190 nan 0.000 0.455 430 H N -0.699 118.403 119.070 0.053 0.000 2.491 430 H HA -0.082 3.913 4.556 -0.935 0.000 0.290 430 H C 2.165 177.520 175.328 0.044 0.000 1.050 430 H CA 1.225 57.304 56.048 0.053 0.000 1.309 430 H CB -0.118 29.672 29.762 0.047 0.000 1.392 430 H HN 0.345 nan 8.280 nan 0.000 0.554 431 K N 0.606 121.093 120.400 0.146 0.000 1.975 431 K HA -0.057 3.701 4.320 -0.936 0.000 0.210 431 K C 2.093 178.734 176.600 0.069 0.000 1.041 431 K CA 0.928 57.271 56.287 0.093 0.000 0.942 431 K CB -0.161 32.384 32.500 0.075 0.000 0.729 431 K HN -0.074 nan 8.250 nan 0.000 0.439 432 K N 0.724 121.163 120.400 0.065 0.000 2.160 432 K HA -0.095 3.664 4.320 -0.936 0.000 0.206 432 K C 1.806 178.440 176.600 0.057 0.000 1.047 432 K CA 0.899 57.224 56.287 0.063 0.000 0.930 432 K CB -0.555 31.991 32.500 0.077 0.000 0.720 432 K HN -0.025 nan 8.250 nan 0.000 0.450 433 V N 0.269 120.214 119.914 0.051 0.000 2.255 433 V HA -0.289 3.270 4.120 -0.936 0.000 0.247 433 V C 2.388 178.498 176.094 0.027 0.000 1.051 433 V CA 2.240 64.565 62.300 0.041 0.000 1.018 433 V CB -0.529 31.309 31.823 0.025 0.000 0.641 433 V HN 0.437 nan 8.190 nan 0.000 0.445 434 Q N 0.036 119.854 119.800 0.030 0.000 2.181 434 Q HA -0.217 3.561 4.340 -0.936 0.000 0.205 434 Q C 2.029 178.020 176.000 -0.016 0.000 0.980 434 Q CA 1.928 57.735 55.803 0.006 0.000 0.862 434 Q CB -0.242 28.509 28.738 0.021 0.000 0.905 434 Q HN 0.733 nan 8.270 nan 0.000 0.429 435 E N -0.998 119.205 120.200 0.005 0.000 2.152 435 E HA -0.136 3.653 4.350 -0.936 0.000 0.192 435 E C 1.641 178.241 176.600 0.000 0.000 0.983 435 E CA 0.987 57.389 56.400 0.003 0.000 0.818 435 E CB -0.076 29.639 29.700 0.025 0.000 0.758 435 E HN 0.322 nan 8.360 nan 0.000 0.467 436 M N 1.233 120.842 119.600 0.014 0.000 2.394 436 M HA -0.075 3.844 4.480 -0.936 0.000 0.264 436 M C 1.911 178.188 176.300 -0.037 0.000 1.073 436 M CA 1.345 56.666 55.300 0.035 0.000 1.111 436 M CB 0.095 32.726 32.600 0.051 0.000 1.401 436 M HN -0.167 nan 8.290 nan 0.000 0.448 437 K N -0.576 119.768 120.400 -0.092 0.000 2.031 437 K HA -0.155 3.604 4.320 -0.936 0.000 0.205 437 K C 1.787 178.212 176.600 -0.292 0.000 1.049 437 K CA 1.456 57.614 56.287 -0.216 0.000 0.939 437 K CB -0.032 32.359 32.500 -0.183 0.000 0.717 437 K HN 0.138 nan 8.250 nan 0.000 0.438 438 E N 0.804 120.889 120.200 -0.192 0.000 2.033 438 E HA -0.203 3.586 4.350 -0.936 0.000 0.199 438 E C 1.987 178.469 176.600 -0.197 0.000 1.011 438 E CA 2.167 58.457 56.400 -0.183 0.000 0.815 438 E CB -0.105 29.534 29.700 -0.101 0.000 0.755 438 E HN 0.296 nan 8.360 nan 0.000 0.451 439 M N 0.085 119.610 119.600 -0.125 0.000 2.082 439 M HA -0.222 3.697 4.480 -0.936 0.000 0.258 439 M C 2.433 178.538 176.300 -0.326 0.000 1.069 439 M CA 2.043 57.288 55.300 -0.091 0.000 1.102 439 M CB -0.667 31.989 32.600 0.094 0.000 1.336 439 M HN 0.168 nan 8.290 nan 0.000 0.404 440 S N 0.238 115.620 115.700 -0.530 0.000 2.399 440 S HA -0.105 3.803 4.470 -0.936 0.000 0.231 440 S C 1.921 176.175 174.600 -0.576 0.000 1.022 440 S CA 0.896 58.482 58.200 -1.024 0.000 0.983 440 S CB -0.478 62.336 63.200 -0.644 0.000 0.803 440 S HN 0.465 nan 8.310 nan 0.000 0.480 441 R N 1.150 121.316 120.500 -0.557 0.000 2.127 441 R HA 0.197 3.975 4.340 -0.936 0.000 0.217 441 R C 1.362 177.512 176.300 -0.249 0.000 1.074 441 R CA 0.900 56.659 56.100 -0.568 0.000 0.991 441 R CB -0.415 29.381 30.300 -0.840 0.000 0.895 441 R HN 0.419 nan 8.270 nan 0.000 0.450 442 N N 1.082 119.653 118.700 -0.215 0.000 2.512 442 N HA -0.036 4.143 4.740 -0.936 0.000 0.183 442 N C 1.343 176.811 175.510 -0.070 0.000 1.073 442 N CA 0.706 53.689 53.050 -0.111 0.000 0.911 442 N CB 0.081 38.517 38.487 -0.085 0.000 0.964 442 N HN 0.186 nan 8.380 nan 0.000 0.447 443 A N 0.326 123.076 122.820 -0.117 0.000 1.968 443 A HA -0.047 3.711 4.320 -0.936 0.000 0.217 443 A C 1.743 179.336 177.584 0.015 0.000 1.169 443 A CA 1.310 53.314 52.037 -0.056 0.000 0.638 443 A CB -0.187 18.708 19.000 -0.175 0.000 0.812 443 A HN 0.179 nan 8.150 nan 0.000 0.446 444 V N -1.621 118.315 119.914 0.037 0.000 3.121 444 V HA 0.415 3.974 4.120 -0.936 0.000 0.344 444 V C 0.376 176.520 176.094 0.084 0.000 1.390 444 V CA -0.083 62.267 62.300 0.082 0.000 1.177 444 V CB -0.983 30.910 31.823 0.117 0.000 1.163 444 V HN 0.404 nan 8.190 nan 0.000 0.484 445 V N -2.764 117.182 119.914 0.053 0.000 3.109 445 V HA 0.617 4.176 4.120 -0.936 0.000 0.317 445 V C -0.015 176.103 176.094 0.040 0.000 1.074 445 V CA -0.643 61.686 62.300 0.048 0.000 1.033 445 V CB 1.271 33.107 31.823 0.022 0.000 1.111 445 V HN 0.229 nan 8.190 nan 0.000 0.458 446 D N 1.383 121.808 120.400 0.042 0.000 2.458 446 D HA 0.436 4.515 4.640 -0.936 0.000 0.243 446 D C 1.197 177.510 176.300 0.021 0.000 1.146 446 D CA 1.892 55.913 54.000 0.034 0.000 0.877 446 D CB 0.913 41.737 40.800 0.040 0.000 1.176 446 D HN 1.363 nan 8.370 nan 0.000 0.461 447 G N 1.692 110.501 108.800 0.016 0.000 2.234 447 G HA2 -0.182 3.216 3.960 -0.936 0.000 0.235 447 G HA3 -0.182 3.216 3.960 -0.936 0.000 0.235 447 G C 0.774 175.685 174.900 0.019 0.000 0.997 447 G CA 0.057 45.167 45.100 0.016 0.000 0.623 447 G HN 0.825 nan 8.290 nan 0.000 0.514 448 G N 0.482 109.294 108.800 0.020 0.000 2.544 448 G HA2 0.522 3.921 3.960 -0.936 0.000 0.242 448 G HA3 0.522 3.921 3.960 -0.936 0.000 0.242 448 G C 1.342 176.267 174.900 0.041 0.000 1.247 448 G CA 0.990 46.105 45.100 0.026 0.000 0.840 448 G HN 1.389 nan 8.290 nan 0.000 0.578 449 S N 0.523 116.259 115.700 0.060 0.000 2.383 449 S HA -0.164 3.745 4.470 -0.936 0.000 0.229 449 S C 2.243 176.901 174.600 0.098 0.000 1.030 449 S CA 1.818 60.067 58.200 0.082 0.000 1.002 449 S CB -0.275 62.989 63.200 0.108 0.000 0.829 449 S HN 0.396 nan 8.310 nan 0.000 0.467 450 S N 1.684 117.447 115.700 0.105 0.000 2.414 450 S HA 0.275 4.184 4.470 -0.936 0.000 0.227 450 S C 1.769 176.420 174.600 0.085 0.000 1.022 450 S CA 0.726 59.002 58.200 0.126 0.000 0.958 450 S CB -0.429 62.859 63.200 0.146 0.000 0.797 450 S HN 0.429 nan 8.310 nan 0.000 0.493 451 L N 0.992 122.236 121.223 0.034 0.000 2.141 451 L HA -0.032 3.746 4.340 -0.936 0.000 0.209 451 L C 2.097 178.933 176.870 -0.057 0.000 1.094 451 L CA 1.053 55.857 54.840 -0.060 0.000 0.763 451 L CB -0.519 41.496 42.059 -0.074 0.000 0.908 451 L HN 0.312 nan 8.230 nan 0.000 0.437 452 I N -0.806 119.769 120.570 0.008 0.000 2.286 452 I HA -0.264 3.345 4.170 -0.936 0.000 0.248 452 I C 2.568 178.728 176.117 0.071 0.000 1.115 452 I CA 1.041 62.358 61.300 0.028 0.000 1.392 452 I CB -0.093 37.934 38.000 0.046 0.000 1.065 452 I HN 0.168 nan 8.210 nan 0.000 0.418 453 S N 0.213 115.982 115.700 0.114 0.000 2.368 453 S HA -0.127 3.781 4.470 -0.936 0.000 0.224 453 S C 2.110 176.833 174.600 0.206 0.000 1.029 453 S CA 1.081 59.408 58.200 0.211 0.000 0.988 453 S CB -0.232 63.116 63.200 0.246 0.000 0.838 453 S HN 0.216 nan 8.310 nan 0.000 0.462 454 V N 1.860 121.841 119.914 0.113 0.000 2.287 454 V HA -0.202 3.357 4.120 -0.936 0.000 0.248 454 V C 2.653 178.753 176.094 0.011 0.000 1.053 454 V CA 2.050 64.387 62.300 0.063 0.000 1.027 454 V CB -1.599 30.201 31.823 -0.038 0.000 0.646 454 V HN 0.585 nan 8.190 nan 0.000 0.447 455 G N -0.330 108.457 108.800 -0.021 0.000 2.446 455 G HA2 -0.272 3.126 3.960 -0.936 0.000 0.217 455 G HA3 -0.272 3.126 3.960 -0.936 0.000 0.217 455 G C 1.670 176.595 174.900 0.041 0.000 1.168 455 G CA 1.053 46.149 45.100 -0.007 0.000 0.771 455 G HN 0.493 nan 8.290 nan 0.000 0.551 456 K N -0.531 119.929 120.400 0.099 0.000 2.057 456 K HA 0.032 3.790 4.320 -0.936 0.000 0.206 456 K C 2.327 179.014 176.600 0.146 0.000 1.050 456 K CA 0.843 57.227 56.287 0.162 0.000 0.935 456 K CB -0.274 32.374 32.500 0.247 0.000 0.715 456 K HN 0.257 nan 8.250 nan 0.000 0.439 457 L N 1.444 122.698 121.223 0.053 0.000 2.017 457 L HA -0.106 3.672 4.340 -0.936 0.000 0.208 457 L C 1.824 178.582 176.870 -0.187 0.000 1.073 457 L CA 1.606 56.265 54.840 -0.302 0.000 0.745 457 L CB -0.253 41.550 42.059 -0.426 0.000 0.894 457 L HN 0.149 nan 8.230 nan 0.000 0.432 458 I N -0.383 120.131 120.570 -0.092 0.000 2.394 458 I HA -0.251 3.357 4.170 -0.936 0.000 0.251 458 I C 2.109 178.203 176.117 -0.039 0.000 1.136 458 I CA 1.531 62.784 61.300 -0.079 0.000 1.425 458 I CB -0.405 37.569 38.000 -0.044 0.000 1.079 458 I HN 0.381 nan 8.210 nan 0.000 0.425 459 D N 0.928 121.327 120.400 -0.001 0.000 2.117 459 D HA -0.259 3.820 4.640 -0.936 0.000 0.198 459 D C 1.810 178.135 176.300 0.042 0.000 0.982 459 D CA 1.452 55.468 54.000 0.027 0.000 0.828 459 D CB 0.039 40.868 40.800 0.048 0.000 0.967 459 D HN 0.256 nan 8.370 nan 0.000 0.464 460 D N -0.947 119.487 120.400 0.057 0.000 2.149 460 D HA -0.060 4.018 4.640 -0.936 0.000 0.201 460 D C 2.050 178.409 176.300 0.097 0.000 0.972 460 D CA 0.810 54.874 54.000 0.107 0.000 0.835 460 D CB -0.022 40.890 40.800 0.186 0.000 0.966 460 D HN 0.306 nan 8.370 nan 0.000 0.476 461 I N -0.102 120.464 120.570 -0.006 0.000 2.252 461 I HA -0.168 3.441 4.170 -0.936 0.000 0.245 461 I C 2.070 178.196 176.117 0.016 0.000 1.102 461 I CA 1.564 62.837 61.300 -0.044 0.000 1.385 461 I CB -0.283 37.589 38.000 -0.214 0.000 1.064 461 I HN 0.206 nan 8.210 nan 0.000 0.414 462 T N -2.104 112.455 114.554 0.008 0.000 3.054 462 T HA 0.271 4.059 4.350 -0.936 0.000 0.255 462 T C 0.936 175.655 174.700 0.032 0.000 1.035 462 T CA -0.046 62.066 62.100 0.019 0.000 0.941 462 T CB -0.283 68.588 68.868 0.006 0.000 1.026 462 T HN 0.225 nan 8.240 nan 0.000 0.533 463 G N 0.000 108.826 108.800 0.043 0.000 5.446 463 G HA2 0.000 3.399 3.960 -0.936 0.000 0.244 463 G HA3 0.000 3.399 3.960 -0.936 0.000 0.244 463 G CA 0.000 45.126 45.100 0.044 0.000 0.502 463 G HN 0.000 nan 8.290 nan 0.000 0.925