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 2pan_1_C DATA FIRST_RESID 2 DATA SEQUENCE AKXRAVDAAX YVLEKEGITT AFGVPGAAIN PFYSAXRKHG GIRHILARHV DATA SEQUENCE EGASHXAEGY TRATAGNIGV CLGTSGPAGT DXITALYSAS ADSIPILCIT DATA SEQUENCE GQAPRARLHK EDFQAVDIEA IAKPVSKXAV TVREAALVPR VLQQAFHLXR DATA SEQUENCE SGRPGPVLVD LPFDVQVAEI EFDPDXYEPL PVYKPAASRX QIEKAVEXLI DATA SEQUENCE QAERPVIVAG GGVINADAAA LLQQFAELTS VPVIPTLXGW GCIPDDHELX DATA SEQUENCE AGXVGLQTAH RYGNATLLAS DXVFGIGNRF ANRHTGSVEK YTEGRKIVHI DATA SEQUENCE DIEPTQIGRV LCPDLGIVSD AKAALTLLVE VAQEXQKAGR LPCRKEWVAD DATA SEQUENCE CQQRKRTLLR KTHFDNVPVK PQRVYEEXNK AFGRDVCYVT TIGLSQIAAA DATA SEQUENCE QXLHVFKDRH WINCGQAGPL GWTIPAALGV CAADPKRNVV AISGDFDFQF DATA SEQUENCE LIEELAVGAQ FNIPYIHVLV NNAYLGLIRQ SQRAFDXDYC VQLAFENINS DATA SEQUENCE SEVNGYGVDH VKVAEGLGCK AIRVFKPEDI APAFEQAKAL XAQYRVPVVV DATA SEQUENCE EVILERVTNI SXGSELDNVX EFEDIADNAA DAPTETCFXH YE 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.607 177.584 0.038 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 2 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 6 A N 1.140 123.915 122.820 -0.075 0.000 1.908 6 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 6 A C 1.793 179.294 177.584 -0.137 0.000 1.181 6 A CA 2.242 54.214 52.037 -0.109 0.000 0.627 6 A CB -0.665 18.287 19.000 -0.081 0.000 0.818 6 A HN 0.545 nan 8.150 nan 0.000 0.445 7 V N -1.929 117.912 119.914 -0.122 0.000 2.490 7 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 7 V C 1.715 177.652 176.094 -0.261 0.000 1.061 7 V CA 2.243 64.436 62.300 -0.179 0.000 1.064 7 V CB -0.901 30.821 31.823 -0.168 0.000 0.670 7 V HN 0.398 nan 8.190 nan 0.000 0.461 8 D N 1.462 121.761 120.400 -0.167 0.000 2.117 8 D HA -0.034 4.606 4.640 -0.000 0.000 0.198 8 D C 2.337 178.605 176.300 -0.054 0.000 0.982 8 D CA 1.868 55.800 54.000 -0.113 0.000 0.828 8 D CB -0.254 40.550 40.800 0.006 0.000 0.967 8 D HN 0.574 nan 8.370 nan 0.000 0.464 9 A N 1.363 124.139 122.820 -0.073 0.000 1.933 9 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 9 A C 1.590 178.992 177.584 -0.302 0.000 1.175 9 A CA 1.298 53.219 52.037 -0.192 0.000 0.628 9 A CB -0.602 17.994 19.000 -0.672 0.000 0.814 9 A HN 0.264 nan 8.150 nan 0.000 0.444 13 V N 1.636 121.435 119.914 -0.191 0.000 2.261 13 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 13 V C 2.037 177.957 176.094 -0.290 0.000 1.047 13 V CA 2.473 64.500 62.300 -0.454 0.000 1.015 13 V CB -0.712 30.837 31.823 -0.457 0.000 0.642 13 V HN 0.329 nan 8.190 nan 0.000 0.446 14 L N -0.511 120.599 121.223 -0.187 0.000 2.079 14 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 14 L C 2.604 179.394 176.870 -0.134 0.000 1.081 14 L CA 1.712 56.487 54.840 -0.109 0.000 0.752 14 L CB -0.631 41.411 42.059 -0.027 0.000 0.896 14 L HN 0.422 nan 8.230 nan 0.000 0.433 15 E N 0.179 120.295 120.200 -0.141 0.000 2.047 15 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 15 E C 2.127 178.706 176.600 -0.035 0.000 0.987 15 E CA 0.936 57.294 56.400 -0.070 0.000 0.799 15 E CB 0.049 29.727 29.700 -0.035 0.000 0.752 15 E HN 0.416 nan 8.360 nan 0.000 0.449 16 K N 0.545 120.931 120.400 -0.023 0.000 2.362 16 K HA -0.141 4.179 4.320 -0.000 0.000 0.200 16 K C 1.535 178.127 176.600 -0.014 0.000 1.046 16 K CA 0.771 57.079 56.287 0.035 0.000 0.952 16 K CB 0.055 32.638 32.500 0.138 0.000 0.753 16 K HN -0.044 nan 8.250 nan 0.000 0.466 17 E N -0.595 119.512 120.200 -0.155 0.000 2.474 17 E HA 0.040 4.390 4.350 -0.000 0.000 0.195 17 E C 0.638 177.099 176.600 -0.231 0.000 1.039 17 E CA 0.361 56.552 56.400 -0.349 0.000 0.881 17 E CB 0.599 29.714 29.700 -0.975 0.000 0.970 17 E HN 0.373 nan 8.360 nan 0.000 0.486 18 G N 0.149 108.897 108.800 -0.085 0.000 2.201 18 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.212 18 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.212 18 G C 0.209 175.141 174.900 0.053 0.000 0.994 18 G CA -0.048 45.058 45.100 0.009 0.000 0.644 18 G HN 0.210 nan 8.290 nan 0.000 0.508 19 I N 2.291 122.885 120.570 0.040 0.000 2.471 19 I HA 0.401 4.571 4.170 -0.000 0.000 0.286 19 I C 1.696 177.818 176.117 0.008 0.000 1.079 19 I CA 1.229 62.563 61.300 0.056 0.000 1.398 19 I CB 1.492 39.538 38.000 0.077 0.000 1.403 19 I HN 0.287 nan 8.210 nan 0.000 0.530 20 T N -0.477 114.080 114.554 0.005 0.000 3.058 20 T HA 0.256 4.606 4.350 -0.000 0.000 0.278 20 T C 0.401 175.040 174.700 -0.102 0.000 0.974 20 T CA -0.129 61.959 62.100 -0.021 0.000 0.893 20 T CB 0.196 69.082 68.868 0.031 0.000 1.138 20 T HN 0.491 nan 8.240 nan 0.000 0.529 21 T N 1.629 116.047 114.554 -0.226 0.000 2.900 21 T HA 0.804 5.154 4.350 -0.000 0.000 0.303 21 T C -1.442 172.891 174.700 -0.612 0.000 1.142 21 T CA -0.629 61.191 62.100 -0.466 0.000 1.007 21 T CB 1.908 70.420 68.868 -0.595 0.000 1.156 21 T HN 0.524 nan 8.240 nan 0.000 0.490 22 A N 1.945 124.319 122.820 -0.742 0.000 2.517 22 A HA 0.806 5.126 4.320 -0.000 0.000 0.297 22 A C -1.753 175.307 177.584 -0.874 0.000 1.050 22 A CA -0.788 50.880 52.037 -0.615 0.000 0.694 22 A CB 0.900 19.767 19.000 -0.221 0.000 1.277 22 A HN 0.655 nan 8.150 nan 0.000 0.400 23 F N 1.385 121.147 119.950 -0.314 0.000 2.458 23 F HA 0.797 5.324 4.527 -0.000 0.000 0.336 23 F C 0.941 176.616 175.800 -0.208 0.000 1.114 23 F CA 0.223 58.011 58.000 -0.354 0.000 0.987 23 F CB 2.555 41.397 39.000 -0.263 0.000 1.130 23 F HN 0.944 nan 8.300 nan 0.000 0.458 24 G N 0.702 109.490 108.800 -0.020 0.000 2.488 24 G HA2 0.579 4.539 3.960 -0.000 0.000 0.301 24 G HA3 0.579 4.539 3.960 -0.000 0.000 0.301 24 G C -2.385 172.709 174.900 0.323 0.000 1.339 24 G CA -0.761 44.489 45.100 0.250 0.000 0.803 24 G HN 0.460 nan 8.290 nan 0.000 0.482 25 V N 2.263 122.348 119.914 0.286 0.000 2.524 25 V HA 0.525 4.645 4.120 -0.000 0.000 0.297 25 V C -2.149 173.989 176.094 0.074 0.000 1.035 25 V CA -1.098 61.304 62.300 0.170 0.000 0.867 25 V CB 1.988 33.861 31.823 0.084 0.000 1.004 25 V HN 0.702 nan 8.190 nan 0.000 0.426 26 P HA 0.609 nan 4.420 nan 0.000 0.274 26 P C -0.071 177.110 177.300 -0.198 0.000 1.256 26 P CA 0.048 62.874 63.100 -0.456 0.000 0.795 26 P CB 1.624 32.755 31.700 -0.947 0.000 1.038 27 G N -1.912 106.792 108.800 -0.160 0.000 2.601 27 G HA2 0.436 4.396 3.960 -0.000 0.000 0.291 27 G HA3 0.436 4.396 3.960 -0.000 0.000 0.291 27 G C 0.425 175.331 174.900 0.011 0.000 1.456 27 G CA -0.051 45.023 45.100 -0.043 0.000 0.804 27 G HN 0.380 nan 8.290 nan 0.000 0.499 28 A N 0.108 122.956 122.820 0.047 0.000 1.917 28 A HA 0.188 4.508 4.320 -0.000 0.000 0.219 28 A C 2.704 180.413 177.584 0.209 0.000 1.182 28 A CA 3.101 55.195 52.037 0.095 0.000 0.633 28 A CB -0.813 18.216 19.000 0.048 0.000 0.819 28 A HN 1.878 nan 8.150 nan 0.000 0.448 29 A N -1.464 121.468 122.820 0.186 0.000 2.067 29 A HA 0.078 4.398 4.320 -0.000 0.000 0.219 29 A C 1.756 179.504 177.584 0.273 0.000 1.158 29 A CA 1.593 53.801 52.037 0.286 0.000 0.661 29 A CB -0.297 18.804 19.000 0.167 0.000 0.801 29 A HN 0.605 nan 8.150 nan 0.000 0.452 30 I N -0.772 119.913 120.570 0.191 0.000 4.025 30 I HA 0.172 4.342 4.170 -0.000 0.000 0.336 30 I C 1.128 177.410 176.117 0.274 0.000 1.390 30 I CA -0.097 61.323 61.300 0.199 0.000 1.099 30 I CB -0.690 37.420 38.000 0.183 0.000 1.049 30 I HN 0.264 nan 8.210 nan 0.000 0.394 31 N N 1.450 120.269 118.700 0.198 0.000 2.104 31 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 31 N C -0.985 174.618 175.510 0.156 0.000 1.024 31 N CA 1.347 54.496 53.050 0.165 0.000 0.853 31 N CB -0.607 37.957 38.487 0.129 0.000 1.008 31 N HN 0.294 nan 8.380 nan 0.000 0.424 32 P HA -0.159 nan 4.420 nan 0.000 0.216 32 P C 1.014 178.328 177.300 0.024 0.000 1.150 32 P CA 0.945 64.019 63.100 -0.044 0.000 0.837 32 P CB -0.031 31.520 31.700 -0.249 0.000 0.786 33 F N -1.274 118.656 119.950 -0.034 0.000 2.102 33 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 33 F C 2.167 177.917 175.800 -0.083 0.000 1.105 33 F CA 1.557 59.517 58.000 -0.067 0.000 1.239 33 F CB -0.779 38.181 39.000 -0.068 0.000 0.991 33 F HN -0.160 nan 8.300 nan 0.000 0.474 34 Y N -0.510 119.880 120.300 0.150 0.000 2.207 34 Y HA -0.255 4.295 4.550 -0.000 0.000 0.287 34 Y C 2.988 178.850 175.900 -0.064 0.000 1.156 34 Y CA 1.755 59.870 58.100 0.025 0.000 1.182 34 Y CB -1.117 37.341 38.460 -0.003 0.000 0.979 34 Y HN 0.153 nan 8.280 nan 0.000 0.521 35 S N -0.018 115.734 115.700 0.087 0.000 2.368 35 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 35 S C 1.446 176.006 174.600 -0.067 0.000 1.030 35 S CA 0.471 58.677 58.200 0.009 0.000 0.999 35 S CB -0.697 62.506 63.200 0.005 0.000 0.844 35 S HN 0.348 nan 8.310 nan 0.000 0.459 39 K N 0.259 120.633 120.400 -0.043 0.000 2.097 39 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 39 K C 1.738 178.304 176.600 -0.057 0.000 1.049 39 K CA 1.736 57.998 56.287 -0.042 0.000 0.933 39 K CB -0.201 32.276 32.500 -0.039 0.000 0.717 39 K HN 0.271 nan 8.250 nan 0.000 0.442 40 H N -0.358 118.613 119.070 -0.165 0.000 2.403 40 H HA 0.020 4.576 4.556 -0.000 0.000 0.298 40 H C 0.749 175.978 175.328 -0.166 0.000 1.059 40 H CA 1.403 57.323 56.048 -0.213 0.000 1.363 40 H CB 0.199 29.771 29.762 -0.315 0.000 1.410 40 H HN 0.427 nan 8.280 nan 0.000 0.528 41 G N -1.442 107.348 108.800 -0.018 0.000 2.855 41 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.352 41 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.352 41 G C 0.835 175.742 174.900 0.012 0.000 1.415 41 G CA 0.343 45.426 45.100 -0.029 0.000 0.871 41 G HN 1.067 nan 8.290 nan 0.000 0.543 42 G N -1.810 106.985 108.800 -0.008 0.000 2.217 42 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.246 42 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.246 42 G C 0.403 175.291 174.900 -0.020 0.000 0.990 42 G CA 0.802 45.901 45.100 -0.002 0.000 0.627 42 G HN 1.599 nan 8.290 nan 0.000 0.522 43 I N 1.108 121.655 120.570 -0.039 0.000 2.389 43 I HA 0.386 4.556 4.170 -0.000 0.000 0.288 43 I C 0.602 176.681 176.117 -0.064 0.000 0.999 43 I CA -0.904 60.355 61.300 -0.069 0.000 1.129 43 I CB 1.725 39.671 38.000 -0.091 0.000 1.288 43 I HN 0.082 nan 8.210 nan 0.000 0.444 44 R N 5.904 126.346 120.500 -0.096 0.000 2.248 44 R HA 0.183 4.523 4.340 -0.000 0.000 0.328 44 R C -0.554 175.640 176.300 -0.176 0.000 1.067 44 R CA -0.352 55.687 56.100 -0.101 0.000 0.924 44 R CB 0.437 30.668 30.300 -0.115 0.000 1.013 44 R HN 0.613 nan 8.270 nan 0.000 0.454 45 H N 6.702 125.665 119.070 -0.178 0.000 2.517 45 H HA 0.192 4.748 4.556 -0.000 0.000 0.317 45 H C -0.573 174.582 175.328 -0.288 0.000 1.080 45 H CA -0.548 55.377 56.048 -0.205 0.000 1.301 45 H CB 0.841 30.576 29.762 -0.045 0.000 1.425 45 H HN 0.444 nan 8.280 nan 0.000 0.471 46 I N 6.838 126.877 120.570 -0.884 0.000 2.321 46 I HA 0.032 4.202 4.170 -0.000 0.000 0.291 46 I C 0.139 175.884 176.117 -0.621 0.000 0.998 46 I CA -0.890 59.848 61.300 -0.936 0.000 1.227 46 I CB 1.026 38.615 38.000 -0.686 0.000 1.368 46 I HN 0.406 nan 8.210 nan 0.000 0.466 47 L N 6.908 128.084 121.223 -0.078 0.000 2.369 47 L HA 0.507 4.847 4.340 -0.000 0.000 0.279 47 L C 0.515 177.508 176.870 0.205 0.000 1.108 47 L CA 0.198 55.191 54.840 0.254 0.000 0.852 47 L CB 0.521 42.857 42.059 0.461 0.000 1.169 47 L HN 0.739 nan 8.230 nan 0.000 0.452 48 A N 5.475 128.373 122.820 0.131 0.000 2.272 48 A HA 0.567 4.887 4.320 -0.000 0.000 0.275 48 A C 0.724 178.379 177.584 0.119 0.000 1.096 48 A CA -0.379 51.725 52.037 0.112 0.000 0.822 48 A CB 0.403 19.447 19.000 0.073 0.000 1.088 48 A HN 0.828 nan 8.150 nan 0.000 0.495 49 R N -0.883 119.680 120.500 0.105 0.000 2.577 49 R HA 0.252 4.592 4.340 -0.000 0.000 0.344 49 R C -0.680 175.682 176.300 0.104 0.000 1.037 49 R CA 0.169 56.321 56.100 0.085 0.000 1.102 49 R CB 0.109 30.455 30.300 0.077 0.000 1.313 49 R HN 0.853 nan 8.270 nan 0.000 0.561 50 H N -1.787 117.289 119.070 0.009 0.000 3.140 50 H HA 0.066 4.622 4.556 -0.000 0.000 0.336 50 H C 0.588 175.905 175.328 -0.018 0.000 1.142 50 H CA -0.650 55.394 56.048 -0.006 0.000 1.308 50 H CB 1.301 31.055 29.762 -0.012 0.000 1.970 50 H HN -0.184 nan 8.280 nan 0.000 0.521 51 V N 3.272 123.317 119.914 0.220 0.000 2.332 51 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 51 V C 2.215 178.353 176.094 0.073 0.000 1.055 51 V CA 2.420 64.798 62.300 0.130 0.000 1.038 51 V CB -0.351 31.519 31.823 0.078 0.000 0.651 51 V HN 0.814 nan 8.190 nan 0.000 0.450 52 E N 0.156 120.431 120.200 0.126 0.000 2.118 52 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 52 E C 2.280 178.710 176.600 -0.284 0.000 0.992 52 E CA 1.404 57.686 56.400 -0.198 0.000 0.804 52 E CB -0.392 29.129 29.700 -0.299 0.000 0.741 52 E HN 0.628 nan 8.360 nan 0.000 0.458 53 G N 0.779 109.513 108.800 -0.111 0.000 2.446 53 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 53 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 53 G C 1.657 176.469 174.900 -0.147 0.000 1.168 53 G CA 1.082 46.129 45.100 -0.089 0.000 0.771 53 G HN 0.411 nan 8.290 nan 0.000 0.551 54 A N 0.714 123.481 122.820 -0.089 0.000 1.940 54 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 54 A C 2.715 180.200 177.584 -0.164 0.000 1.176 54 A CA 2.327 54.314 52.037 -0.083 0.000 0.631 54 A CB -0.604 18.409 19.000 0.021 0.000 0.814 54 A HN 0.329 nan 8.150 nan 0.000 0.446 55 S N -0.569 115.011 115.700 -0.200 0.000 2.356 55 S HA -0.063 4.407 4.470 -0.000 0.000 0.223 55 S C 1.108 175.565 174.600 -0.238 0.000 1.032 55 S CA 0.697 58.759 58.200 -0.231 0.000 1.005 55 S CB -0.447 62.557 63.200 -0.327 0.000 0.867 55 S HN 0.711 nan 8.310 nan 0.000 0.449 59 E N 0.500 120.653 120.200 -0.078 0.000 2.051 59 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 59 E C 2.036 178.622 176.600 -0.024 0.000 0.991 59 E CA 1.185 57.602 56.400 0.029 0.000 0.799 59 E CB -0.215 29.590 29.700 0.175 0.000 0.748 59 E HN 0.591 nan 8.360 nan 0.000 0.449 60 G N 0.377 109.042 108.800 -0.225 0.000 2.418 60 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 60 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 60 G C 1.399 176.230 174.900 -0.115 0.000 1.158 60 G CA 0.848 45.793 45.100 -0.258 0.000 0.771 60 G HN 0.291 nan 8.290 nan 0.000 0.545 61 Y N 1.709 121.902 120.300 -0.179 0.000 2.165 61 Y HA -0.176 4.374 4.550 -0.000 0.000 0.286 61 Y C 3.113 179.013 175.900 0.001 0.000 1.155 61 Y CA 2.286 60.366 58.100 -0.033 0.000 1.164 61 Y CB -0.242 38.301 38.460 0.139 0.000 0.978 61 Y HN 0.204 nan 8.280 nan 0.000 0.513 62 T N 0.261 114.927 114.554 0.188 0.000 2.701 62 T HA -0.156 4.194 4.350 -0.000 0.000 0.263 62 T C 1.775 176.489 174.700 0.022 0.000 1.040 62 T CA 1.784 63.957 62.100 0.122 0.000 1.147 62 T CB -0.209 68.733 68.868 0.124 0.000 0.865 62 T HN 0.302 nan 8.240 nan 0.000 0.426 63 R N 0.987 121.497 120.500 0.017 0.000 2.237 63 R HA 0.146 4.486 4.340 -0.000 0.000 0.219 63 R C 2.610 178.887 176.300 -0.038 0.000 1.080 63 R CA 0.820 56.926 56.100 0.010 0.000 0.995 63 R CB -0.304 30.026 30.300 0.050 0.000 0.875 63 R HN 0.330 nan 8.270 nan 0.000 0.462 64 A N 0.303 123.063 122.820 -0.100 0.000 1.898 64 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 64 A C 0.779 178.295 177.584 -0.114 0.000 1.181 64 A CA 1.254 53.205 52.037 -0.143 0.000 0.620 64 A CB 0.204 19.072 19.000 -0.220 0.000 0.819 64 A HN 0.209 nan 8.150 nan 0.000 0.442 65 T N -2.533 111.953 114.554 -0.114 0.000 2.956 65 T HA 0.540 4.890 4.350 -0.000 0.000 0.312 65 T C 0.938 175.614 174.700 -0.041 0.000 1.151 65 T CA -0.144 61.909 62.100 -0.078 0.000 1.024 65 T CB 1.807 70.608 68.868 -0.112 0.000 1.140 65 T HN 0.419 nan 8.240 nan 0.000 0.473 66 A N 1.894 124.707 122.820 -0.012 0.000 1.903 66 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 66 A C 2.173 179.770 177.584 0.021 0.000 1.191 66 A CA 2.275 54.316 52.037 0.007 0.000 0.638 66 A CB -1.146 17.861 19.000 0.011 0.000 0.823 66 A HN 0.986 nan 8.150 nan 0.000 0.451 67 G N -0.995 107.820 108.800 0.024 0.000 2.985 67 G HA2 0.096 4.056 3.960 -0.000 0.000 0.209 67 G HA3 0.096 4.056 3.960 -0.000 0.000 0.209 67 G C 0.226 175.176 174.900 0.084 0.000 1.165 67 G CA -0.241 44.891 45.100 0.053 0.000 0.776 67 G HN 0.425 nan 8.290 nan 0.000 0.541 68 N N 0.994 119.731 118.700 0.061 0.000 2.513 68 N HA 0.240 4.980 4.740 -0.000 0.000 0.268 68 N C -0.318 175.314 175.510 0.203 0.000 1.180 68 N CA 0.150 53.273 53.050 0.121 0.000 0.948 68 N CB 1.302 39.756 38.487 -0.055 0.000 1.083 68 N HN -0.055 nan 8.380 nan 0.000 0.455 69 I N 1.258 122.011 120.570 0.305 0.000 2.466 69 I HA 0.263 4.433 4.170 -0.000 0.000 0.279 69 I C 0.876 177.146 176.117 0.254 0.000 1.033 69 I CA -0.696 60.749 61.300 0.243 0.000 1.123 69 I CB 0.827 38.956 38.000 0.214 0.000 1.237 69 I HN 0.378 nan 8.210 nan 0.000 0.460 70 G N 5.539 114.501 108.800 0.270 0.000 2.398 70 G HA2 0.401 4.361 3.960 -0.000 0.000 0.246 70 G HA3 0.401 4.361 3.960 -0.000 0.000 0.246 70 G C -0.300 174.624 174.900 0.041 0.000 1.289 70 G CA -0.087 45.098 45.100 0.142 0.000 0.869 70 G HN 0.346 nan 8.290 nan 0.000 0.543 71 V N 1.758 121.664 119.914 -0.014 0.000 2.495 71 V HA 0.438 4.558 4.120 -0.000 0.000 0.298 71 V C -0.137 175.972 176.094 0.024 0.000 1.031 71 V CA -0.897 61.386 62.300 -0.028 0.000 0.871 71 V CB 1.563 33.342 31.823 -0.073 0.000 0.988 71 V HN 0.908 nan 8.190 nan 0.000 0.432 72 C N 7.213 126.507 119.300 -0.010 0.000 2.340 72 C HA 0.757 5.217 4.460 -0.000 0.000 0.323 72 C C -0.591 174.371 174.990 -0.046 0.000 1.260 72 C CA -0.527 58.492 59.018 0.002 0.000 1.464 72 C CB -0.450 27.279 27.740 -0.018 0.000 2.156 72 C HN 0.863 nan 8.230 nan 0.000 0.476 73 L N 6.255 127.476 121.223 -0.003 0.000 2.341 73 L HA 0.853 5.193 4.340 -0.000 0.000 0.278 73 L C 0.599 177.516 176.870 0.079 0.000 1.005 73 L CA -0.017 54.810 54.840 -0.022 0.000 0.818 73 L CB 1.781 43.833 42.059 -0.012 0.000 1.259 73 L HN 0.883 nan 8.230 nan 0.000 0.418 74 G N 0.331 109.151 108.800 0.034 0.000 2.682 74 G HA2 0.489 4.449 3.960 -0.000 0.000 0.290 74 G HA3 0.489 4.449 3.960 -0.000 0.000 0.290 74 G C -1.171 173.753 174.900 0.040 0.000 1.425 74 G CA -0.283 44.849 45.100 0.053 0.000 0.807 74 G HN 0.387 nan 8.290 nan 0.000 0.482 75 T N -0.860 113.713 114.554 0.031 0.000 2.865 75 T HA 0.564 4.914 4.350 -0.000 0.000 0.302 75 T C 1.543 176.248 174.700 0.008 0.000 1.078 75 T CA 0.569 62.687 62.100 0.030 0.000 0.942 75 T CB 0.262 69.147 68.868 0.028 0.000 1.387 75 T HN 1.217 nan 8.240 nan 0.000 0.557 76 S N -0.834 114.871 115.700 0.009 0.000 2.641 76 S HA 0.581 5.051 4.470 -0.000 0.000 0.261 76 S C 1.277 175.843 174.600 -0.056 0.000 1.257 76 S CA 0.044 58.233 58.200 -0.019 0.000 0.983 76 S CB -0.106 63.088 63.200 -0.010 0.000 0.990 76 S HN 1.636 nan 8.310 nan 0.000 0.572 77 G N 1.315 110.067 108.800 -0.079 0.000 2.602 77 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.310 77 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.310 77 G C -1.295 173.554 174.900 -0.084 0.000 1.183 77 G CA 0.255 45.287 45.100 -0.112 0.000 0.979 77 G HN 0.772 nan 8.290 nan 0.000 0.545 78 P HA 0.135 nan 4.420 nan 0.000 0.229 78 P C 1.792 179.069 177.300 -0.037 0.000 1.160 78 P CA 2.320 65.382 63.100 -0.062 0.000 0.777 78 P CB -0.295 31.361 31.700 -0.073 0.000 0.814 79 A N 0.920 123.719 122.820 -0.036 0.000 1.902 79 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 79 A C 2.582 180.158 177.584 -0.013 0.000 1.181 79 A CA 1.962 53.989 52.037 -0.017 0.000 0.623 79 A CB -1.886 17.107 19.000 -0.012 0.000 0.818 79 A HN 0.288 nan 8.150 nan 0.000 0.443 80 G N -0.530 108.257 108.800 -0.023 0.000 2.408 80 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 80 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 80 G C 1.687 176.578 174.900 -0.014 0.000 1.150 80 G CA 1.921 47.008 45.100 -0.022 0.000 0.776 80 G HN 0.696 nan 8.290 nan 0.000 0.542 81 T N -1.618 112.927 114.554 -0.014 0.000 3.035 81 T HA 0.064 4.414 4.350 -0.000 0.000 0.268 81 T C 0.754 175.462 174.700 0.014 0.000 1.109 81 T CA 0.617 62.714 62.100 -0.004 0.000 1.119 81 T CB 0.023 68.884 68.868 -0.012 0.000 0.900 81 T HN 0.069 nan 8.240 nan 0.000 0.503 85 T N 2.197 116.834 114.554 0.139 0.000 2.720 85 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 85 T C 1.920 176.797 174.700 0.295 0.000 1.037 85 T CA 2.137 64.385 62.100 0.246 0.000 1.144 85 T CB -0.083 68.934 68.868 0.249 0.000 0.864 85 T HN 0.428 nan 8.240 nan 0.000 0.444 86 A N 1.055 124.003 122.820 0.213 0.000 1.897 86 A HA 0.124 4.444 4.320 -0.000 0.000 0.215 86 A C 2.307 179.984 177.584 0.155 0.000 1.181 86 A CA 0.883 53.062 52.037 0.236 0.000 0.620 86 A CB -0.756 18.256 19.000 0.021 0.000 0.821 86 A HN 0.451 nan 8.150 nan 0.000 0.443 87 L N -1.616 119.675 121.223 0.113 0.000 2.042 87 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 87 L C 2.635 179.589 176.870 0.141 0.000 1.076 87 L CA 1.906 56.804 54.840 0.097 0.000 0.749 87 L CB -0.680 41.423 42.059 0.073 0.000 0.893 87 L HN 0.627 nan 8.230 nan 0.000 0.432 88 Y N 0.268 120.593 120.300 0.041 0.000 2.114 88 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 88 Y C 2.938 178.851 175.900 0.022 0.000 1.143 88 Y CA 1.515 59.632 58.100 0.027 0.000 1.135 88 Y CB -0.740 37.736 38.460 0.026 0.000 0.980 88 Y HN 0.099 nan 8.280 nan 0.000 0.499 89 S N 0.112 115.682 115.700 -0.216 0.000 2.370 89 S HA -0.228 4.242 4.470 -0.000 0.000 0.226 89 S C 2.270 176.767 174.600 -0.172 0.000 1.033 89 S CA 1.710 59.715 58.200 -0.325 0.000 1.011 89 S CB -0.939 62.185 63.200 -0.126 0.000 0.852 89 S HN 0.670 nan 8.310 nan 0.000 0.457 90 A N 0.503 123.309 122.820 -0.024 0.000 1.898 90 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 90 A C 2.451 180.025 177.584 -0.016 0.000 1.181 90 A CA 1.897 53.939 52.037 0.008 0.000 0.620 90 A CB -1.215 17.815 19.000 0.050 0.000 0.819 90 A HN 0.559 nan 8.150 nan 0.000 0.442 91 S N -0.036 115.662 115.700 -0.002 0.000 2.359 91 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 91 S C 2.339 176.927 174.600 -0.020 0.000 1.039 91 S CA 1.457 59.664 58.200 0.013 0.000 1.042 91 S CB -0.567 62.675 63.200 0.070 0.000 0.915 91 S HN 0.823 nan 8.310 nan 0.000 0.439 92 A N 1.442 124.211 122.820 -0.086 0.000 1.940 92 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 92 A C 1.460 178.979 177.584 -0.108 0.000 1.176 92 A CA 1.744 53.705 52.037 -0.126 0.000 0.631 92 A CB -0.406 18.389 19.000 -0.342 0.000 0.814 92 A HN 0.383 nan 8.150 nan 0.000 0.446 93 D N -0.510 119.823 120.400 -0.112 0.000 2.342 93 D HA 0.222 4.862 4.640 -0.000 0.000 0.221 93 D C 0.142 176.418 176.300 -0.041 0.000 1.101 93 D CA 0.692 54.642 54.000 -0.082 0.000 0.837 93 D CB 0.105 40.846 40.800 -0.098 0.000 0.938 93 D HN 0.236 nan 8.370 nan 0.000 0.508 94 S N -0.004 115.679 115.700 -0.029 0.000 3.682 94 S HA -0.227 4.243 4.470 -0.000 0.000 0.354 94 S C 0.250 174.848 174.600 -0.003 0.000 1.034 94 S CA 0.472 58.664 58.200 -0.012 0.000 1.084 94 S CB -2.120 61.071 63.200 -0.014 0.000 0.903 94 S HN 0.564 nan 8.310 nan 0.000 0.470 95 I N -2.311 118.261 120.570 0.003 0.000 2.689 95 I HA 0.894 5.064 4.170 -0.000 0.000 0.299 95 I C -2.891 173.239 176.117 0.021 0.000 1.059 95 I CA -2.663 58.648 61.300 0.018 0.000 1.055 95 I CB 2.076 40.096 38.000 0.032 0.000 1.243 95 I HN -0.201 nan 8.210 nan 0.000 0.425 96 P HA 0.545 nan 4.420 nan 0.000 0.292 96 P C -1.025 176.288 177.300 0.022 0.000 1.283 96 P CA -0.322 62.784 63.100 0.010 0.000 0.835 96 P CB 1.650 33.349 31.700 -0.002 0.000 1.017 97 I N -0.134 120.438 120.570 0.003 0.000 2.934 97 I HA 0.627 4.797 4.170 -0.000 0.000 0.306 97 I C -1.243 174.841 176.117 -0.056 0.000 1.110 97 I CA -1.682 59.616 61.300 -0.002 0.000 1.019 97 I CB 2.261 40.271 38.000 0.016 0.000 1.227 97 I HN 0.047 nan 8.210 nan 0.000 0.434 98 L N 4.383 125.560 121.223 -0.076 0.000 2.294 98 L HA 0.555 4.895 4.340 -0.000 0.000 0.283 98 L C -0.946 175.868 176.870 -0.092 0.000 1.015 98 L CA -0.102 54.663 54.840 -0.126 0.000 0.831 98 L CB 0.816 42.753 42.059 -0.203 0.000 1.217 98 L HN 0.805 nan 8.230 nan 0.000 0.420 99 C N 5.926 125.174 119.300 -0.087 0.000 2.330 99 C HA 0.602 5.062 4.460 -0.000 0.000 0.344 99 C C 0.255 175.174 174.990 -0.118 0.000 1.273 99 C CA -0.711 58.256 59.018 -0.085 0.000 1.879 99 C CB -0.042 27.663 27.740 -0.059 0.000 2.376 99 C HN 0.676 nan 8.230 nan 0.000 0.534 100 I N 3.803 124.275 120.570 -0.164 0.000 2.447 100 I HA 0.400 4.570 4.170 -0.000 0.000 0.287 100 I C 0.222 176.218 176.117 -0.202 0.000 1.023 100 I CA 0.108 61.267 61.300 -0.234 0.000 1.083 100 I CB 1.837 39.566 38.000 -0.451 0.000 1.245 100 I HN 0.701 nan 8.210 nan 0.000 0.434 101 T N 1.735 116.207 114.554 -0.138 0.000 2.885 101 T HA 0.694 5.044 4.350 -0.000 0.000 0.285 101 T C 0.250 174.913 174.700 -0.061 0.000 1.019 101 T CA -0.805 61.245 62.100 -0.083 0.000 1.010 101 T CB 1.877 70.716 68.868 -0.050 0.000 1.022 101 T HN 0.621 nan 8.240 nan 0.000 0.466 102 G N 0.408 109.198 108.800 -0.016 0.000 2.634 102 G HA2 0.512 4.472 3.960 -0.000 0.000 0.255 102 G HA3 0.512 4.472 3.960 -0.000 0.000 0.255 102 G C -0.715 174.206 174.900 0.035 0.000 1.205 102 G CA -0.334 44.787 45.100 0.035 0.000 0.884 102 G HN 0.894 nan 8.290 nan 0.000 0.549 103 Q N -1.509 118.334 119.800 0.072 0.000 2.527 103 Q HA 0.564 4.904 4.340 -0.000 0.000 0.280 103 Q C -0.343 175.712 176.000 0.092 0.000 0.977 103 Q CA -0.259 55.574 55.803 0.051 0.000 0.837 103 Q CB 1.329 30.080 28.738 0.021 0.000 1.454 103 Q HN 1.056 nan 8.270 nan 0.000 0.387 104 A N 3.185 126.036 122.820 0.050 0.000 2.448 104 A HA 0.579 4.899 4.320 -0.000 0.000 0.239 104 A C -2.224 175.400 177.584 0.067 0.000 1.080 104 A CA -0.723 51.344 52.037 0.050 0.000 0.779 104 A CB -0.589 18.417 19.000 0.011 0.000 1.026 104 A HN 0.626 nan 8.150 nan 0.000 0.499 105 P HA 0.094 nan 4.420 nan 0.000 0.268 105 P C 0.471 177.797 177.300 0.044 0.000 1.208 105 P CA -0.061 63.091 63.100 0.086 0.000 0.777 105 P CB 0.391 32.135 31.700 0.075 0.000 0.875 106 R N 2.228 122.756 120.500 0.047 0.000 2.091 106 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 106 R C 2.053 178.372 176.300 0.032 0.000 1.136 106 R CA 1.910 58.028 56.100 0.030 0.000 0.959 106 R CB -1.034 29.289 30.300 0.039 0.000 0.856 106 R HN 0.511 nan 8.270 nan 0.000 0.437 107 A N 0.873 123.717 122.820 0.040 0.000 2.125 107 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 107 A C 1.689 179.297 177.584 0.040 0.000 1.156 107 A CA 1.217 53.280 52.037 0.043 0.000 0.671 107 A CB -0.125 18.898 19.000 0.038 0.000 0.794 107 A HN 0.224 nan 8.150 nan 0.000 0.459 108 R N -1.185 119.328 120.500 0.023 0.000 2.508 108 R HA 0.400 4.740 4.340 -0.000 0.000 0.300 108 R C 1.047 177.335 176.300 -0.021 0.000 0.970 108 R CA -0.197 55.911 56.100 0.013 0.000 1.102 108 R CB 0.066 30.372 30.300 0.010 0.000 1.246 108 R HN 0.397 nan 8.270 nan 0.000 0.539 109 L N -0.316 120.866 121.223 -0.069 0.000 2.265 109 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 109 L C 1.044 177.711 176.870 -0.338 0.000 1.117 109 L CA 1.540 56.254 54.840 -0.210 0.000 0.782 109 L CB -0.124 41.757 42.059 -0.296 0.000 0.914 109 L HN 0.378 nan 8.230 nan 0.000 0.441 110 H N -1.824 117.252 119.070 0.009 0.000 2.755 110 H HA 0.157 4.713 4.556 -0.000 0.000 0.273 110 H C 0.209 175.541 175.328 0.006 0.000 1.055 110 H CA -0.391 55.660 56.048 0.006 0.000 1.191 110 H CB 0.518 30.283 29.762 0.006 0.000 1.536 110 H HN 0.018 nan 8.280 nan 0.000 0.529 111 K N 1.181 121.632 120.400 0.085 0.000 2.126 111 K HA 0.112 4.432 4.320 -0.000 0.000 0.257 111 K C -0.031 176.587 176.600 0.030 0.000 1.007 111 K CA -0.176 56.143 56.287 0.052 0.000 0.928 111 K CB 1.003 33.526 32.500 0.039 0.000 1.013 111 K HN 0.334 nan 8.250 nan 0.000 0.473 112 E N 1.530 121.747 120.200 0.027 0.000 2.148 112 E HA 0.012 4.362 4.350 -0.000 0.000 0.308 112 E C -0.848 175.766 176.600 0.023 0.000 1.278 112 E CA -0.117 56.293 56.400 0.016 0.000 1.368 112 E CB -0.105 29.605 29.700 0.018 0.000 1.229 112 E HN 0.315 nan 8.360 nan 0.000 0.494 113 D N 0.729 121.139 120.400 0.016 0.000 2.414 113 D HA -0.041 4.599 4.640 -0.000 0.000 0.242 113 D C -0.443 175.893 176.300 0.060 0.000 1.129 113 D CA -0.155 53.871 54.000 0.042 0.000 0.885 113 D CB 0.413 41.226 40.800 0.022 0.000 1.198 113 D HN 0.141 nan 8.370 nan 0.000 0.437 114 F N 3.028 122.958 119.950 -0.034 0.000 2.604 114 F HA -0.096 4.431 4.527 -0.000 0.000 0.393 114 F C 1.059 176.840 175.800 -0.032 0.000 1.043 114 F CA 0.661 58.642 58.000 -0.033 0.000 1.227 114 F CB 0.048 39.025 39.000 -0.039 0.000 1.016 114 F HN 0.543 nan 8.300 nan 0.000 0.556 115 Q N 2.432 121.801 119.800 -0.719 0.000 2.481 115 Q HA -0.235 4.105 4.340 -0.000 0.000 0.272 115 Q C -0.598 175.267 176.000 -0.225 0.000 1.157 115 Q CA 0.583 56.065 55.803 -0.536 0.000 0.935 115 Q CB -1.514 26.857 28.738 -0.612 0.000 1.338 115 Q HN 0.776 nan 8.270 nan 0.000 0.494 116 A N 0.439 123.166 122.820 -0.155 0.000 2.249 116 A HA 0.704 5.024 4.320 -0.000 0.000 0.314 116 A C -0.503 177.026 177.584 -0.092 0.000 1.290 116 A CA -0.282 51.699 52.037 -0.095 0.000 0.893 116 A CB 1.567 20.527 19.000 -0.067 0.000 1.165 116 A HN 0.187 nan 8.150 nan 0.000 0.530 117 V N 2.019 121.884 119.914 -0.082 0.000 2.962 117 V HA 0.449 4.569 4.120 -0.000 0.000 0.313 117 V C -0.901 175.158 176.094 -0.059 0.000 1.099 117 V CA -0.636 61.623 62.300 -0.068 0.000 0.971 117 V CB 2.233 34.017 31.823 -0.065 0.000 1.028 117 V HN 0.886 nan 8.190 nan 0.000 0.430 118 D N 3.964 124.336 120.400 -0.046 0.000 2.608 118 D HA 0.088 4.728 4.640 -0.000 0.000 0.224 118 D C 0.944 177.228 176.300 -0.026 0.000 1.123 118 D CA 0.020 53.998 54.000 -0.036 0.000 1.030 118 D CB 0.189 40.979 40.800 -0.017 0.000 1.093 118 D HN 0.479 nan 8.370 nan 0.000 0.497 119 I N 1.667 122.219 120.570 -0.030 0.000 2.454 119 I HA -0.151 4.019 4.170 -0.000 0.000 0.254 119 I C 1.929 178.036 176.117 -0.016 0.000 1.156 119 I CA 1.233 62.519 61.300 -0.024 0.000 1.433 119 I CB -0.088 37.895 38.000 -0.027 0.000 1.082 119 I HN 0.393 nan 8.210 nan 0.000 0.432 120 E N 0.430 120.622 120.200 -0.015 0.000 2.070 120 E HA -0.281 4.069 4.350 -0.000 0.000 0.197 120 E C 2.219 178.818 176.600 -0.002 0.000 1.004 120 E CA 1.544 57.940 56.400 -0.007 0.000 0.805 120 E CB -0.241 29.457 29.700 -0.004 0.000 0.744 120 E HN 0.576 nan 8.360 nan 0.000 0.451 121 A N 0.617 123.436 122.820 -0.001 0.000 1.930 121 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 121 A C 2.155 179.737 177.584 -0.003 0.000 1.175 121 A CA 1.223 53.261 52.037 0.001 0.000 0.627 121 A CB -0.519 18.484 19.000 0.005 0.000 0.815 121 A HN 0.336 nan 8.150 nan 0.000 0.443 122 I N -0.472 120.094 120.570 -0.007 0.000 2.315 122 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 122 I C 2.710 178.823 176.117 -0.006 0.000 1.117 122 I CA 1.129 62.423 61.300 -0.009 0.000 1.404 122 I CB -0.130 37.862 38.000 -0.012 0.000 1.071 122 I HN 0.341 nan 8.210 nan 0.000 0.419 123 A N -0.112 122.706 122.820 -0.003 0.000 2.132 123 A HA -0.072 4.248 4.320 -0.000 0.000 0.213 123 A C 2.133 179.722 177.584 0.008 0.000 1.154 123 A CA 0.568 52.608 52.037 0.004 0.000 0.753 123 A CB -0.189 18.812 19.000 0.001 0.000 0.826 123 A HN 0.155 nan 8.150 nan 0.000 0.469 124 K N 0.694 121.097 120.400 0.005 0.000 2.059 124 K HA -0.152 4.168 4.320 -0.000 0.000 0.212 124 K C -1.100 175.507 176.600 0.011 0.000 1.050 124 K CA 2.292 58.584 56.287 0.008 0.000 0.927 124 K CB -0.907 31.597 32.500 0.006 0.000 0.714 124 K HN 0.396 nan 8.250 nan 0.000 0.447 125 P HA -0.061 nan 4.420 nan 0.000 0.230 125 P C -0.048 177.266 177.300 0.023 0.000 1.158 125 P CA 0.855 63.959 63.100 0.007 0.000 0.769 125 P CB 0.246 31.939 31.700 -0.012 0.000 0.807 126 V N -4.139 115.797 119.914 0.036 0.000 2.909 126 V HA 0.482 4.602 4.120 -0.000 0.000 0.362 126 V C -0.185 175.950 176.094 0.068 0.000 1.356 126 V CA -0.365 61.982 62.300 0.078 0.000 1.195 126 V CB -0.422 31.468 31.823 0.112 0.000 1.256 126 V HN 0.070 nan 8.190 nan 0.000 0.567 127 S N -1.442 114.284 115.700 0.042 0.000 2.550 127 S HA 0.617 5.087 4.470 -0.000 0.000 0.270 127 S C -0.649 173.964 174.600 0.022 0.000 1.145 127 S CA -1.025 57.192 58.200 0.029 0.000 0.852 127 S CB 2.094 65.304 63.200 0.017 0.000 1.119 127 S HN 0.327 nan 8.310 nan 0.000 0.465 131 V N 2.173 122.084 119.914 -0.004 0.000 2.808 131 V HA 0.811 4.931 4.120 -0.000 0.000 0.308 131 V C -0.436 175.656 176.094 -0.004 0.000 1.099 131 V CA -0.107 62.193 62.300 0.000 0.000 0.920 131 V CB 2.347 34.175 31.823 0.007 0.000 1.014 131 V HN 1.050 nan 8.190 nan 0.000 0.425 132 T N 5.870 120.423 114.554 -0.001 0.000 2.743 132 T HA 0.405 4.755 4.350 -0.000 0.000 0.293 132 T C -0.189 174.514 174.700 0.005 0.000 0.945 132 T CA -0.112 61.986 62.100 -0.002 0.000 1.030 132 T CB 1.012 69.877 68.868 -0.005 0.000 0.912 132 T HN 0.580 nan 8.240 nan 0.000 0.483 133 V N 6.119 126.036 119.914 0.005 0.000 2.439 133 V HA 0.141 4.261 4.120 -0.000 0.000 0.271 133 V C 1.469 177.570 176.094 0.013 0.000 1.040 133 V CA -0.175 62.130 62.300 0.009 0.000 1.002 133 V CB 0.550 32.377 31.823 0.007 0.000 1.000 133 V HN 0.762 nan 8.190 nan 0.000 0.477 134 R N 2.458 122.968 120.500 0.016 0.000 2.280 134 R HA 0.255 4.595 4.340 -0.000 0.000 0.195 134 R C 0.155 176.467 176.300 0.021 0.000 0.935 134 R CA 0.169 56.281 56.100 0.021 0.000 1.033 134 R CB 0.459 30.774 30.300 0.024 0.000 0.964 134 R HN 0.636 nan 8.270 nan 0.000 0.489 135 E N -0.838 119.372 120.200 0.016 0.000 2.314 135 E HA 0.371 4.721 4.350 -0.000 0.000 0.272 135 E C -0.017 176.586 176.600 0.005 0.000 0.884 135 E CA -0.368 56.041 56.400 0.015 0.000 0.753 135 E CB 1.990 31.701 29.700 0.017 0.000 1.213 135 E HN -0.120 nan 8.360 nan 0.000 0.432 136 A N 2.197 125.018 122.820 0.001 0.000 1.892 136 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 136 A C 1.944 179.513 177.584 -0.025 0.000 1.188 136 A CA 2.576 54.605 52.037 -0.014 0.000 0.631 136 A CB -0.603 18.390 19.000 -0.012 0.000 0.822 136 A HN 0.630 nan 8.150 nan 0.000 0.447 137 A N -0.854 121.962 122.820 -0.007 0.000 2.125 137 A HA 0.094 4.414 4.320 -0.000 0.000 0.219 137 A C 1.956 179.540 177.584 0.000 0.000 1.156 137 A CA 1.265 53.302 52.037 0.000 0.000 0.671 137 A CB -0.500 18.517 19.000 0.029 0.000 0.794 137 A HN 0.495 nan 8.150 nan 0.000 0.459 138 L N -0.867 120.358 121.223 0.003 0.000 2.492 138 L HA -0.035 4.305 4.340 -0.000 0.000 0.223 138 L C 2.164 179.033 176.870 -0.002 0.000 1.132 138 L CA -0.006 54.842 54.840 0.012 0.000 0.850 138 L CB -0.247 41.824 42.059 0.019 0.000 0.966 138 L HN 0.196 nan 8.230 nan 0.000 0.454 139 V N 1.232 121.127 119.914 -0.032 0.000 2.233 139 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 139 V C -0.015 176.044 176.094 -0.058 0.000 1.050 139 V CA 2.260 64.536 62.300 -0.041 0.000 1.010 139 V CB -1.671 30.116 31.823 -0.060 0.000 0.637 139 V HN 0.389 nan 8.190 nan 0.000 0.444 140 P HA -0.147 nan 4.420 nan 0.000 0.218 140 P C 1.400 178.729 177.300 0.048 0.000 1.149 140 P CA 1.300 64.294 63.100 -0.177 0.000 0.817 140 P CB -0.155 31.225 31.700 -0.533 0.000 0.785 141 R N -0.300 120.245 120.500 0.075 0.000 2.093 141 R HA 0.029 4.369 4.340 -0.000 0.000 0.224 141 R C 2.348 178.722 176.300 0.123 0.000 1.101 141 R CA 0.668 56.849 56.100 0.134 0.000 0.979 141 R CB -1.661 28.699 30.300 0.100 0.000 0.877 141 R HN 0.172 nan 8.270 nan 0.000 0.441 142 V N 1.782 121.747 119.914 0.084 0.000 2.427 142 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 142 V C 2.475 178.637 176.094 0.112 0.000 1.051 142 V CA 1.403 63.750 62.300 0.078 0.000 1.048 142 V CB -0.453 31.397 31.823 0.044 0.000 0.666 142 V HN 0.163 nan 8.190 nan 0.000 0.456 143 L N -0.483 120.824 121.223 0.139 0.000 2.046 143 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 143 L C 2.634 179.749 176.870 0.409 0.000 1.077 143 L CA 1.877 56.860 54.840 0.239 0.000 0.747 143 L CB -0.643 41.558 42.059 0.236 0.000 0.896 143 L HN 0.374 nan 8.230 nan 0.000 0.432 144 Q N -0.052 119.965 119.800 0.362 0.000 2.077 144 Q HA -0.322 4.018 4.340 -0.000 0.000 0.206 144 Q C 2.260 178.450 176.000 0.318 0.000 0.989 144 Q CA 2.167 58.216 55.803 0.410 0.000 0.853 144 Q CB -0.022 28.945 28.738 0.381 0.000 0.907 144 Q HN 0.331 nan 8.270 nan 0.000 0.418 145 Q N -0.108 119.825 119.800 0.222 0.000 2.119 145 Q HA -0.081 4.259 4.340 -0.000 0.000 0.201 145 Q C 1.702 177.821 176.000 0.198 0.000 0.972 145 Q CA 1.726 57.636 55.803 0.178 0.000 0.847 145 Q CB -0.405 28.399 28.738 0.110 0.000 0.903 145 Q HN 0.457 nan 8.270 nan 0.000 0.433 146 A N -0.611 122.303 122.820 0.156 0.000 1.902 146 A HA -0.116 4.203 4.320 -0.000 0.000 0.217 146 A C 1.834 179.412 177.584 -0.009 0.000 1.181 146 A CA 1.371 53.424 52.037 0.027 0.000 0.623 146 A CB -0.894 18.055 19.000 -0.086 0.000 0.818 146 A HN 0.475 nan 8.150 nan 0.000 0.443 147 F N -0.929 119.095 119.950 0.123 0.000 2.234 147 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 147 F C 2.337 178.212 175.800 0.124 0.000 1.087 147 F CA 1.444 59.515 58.000 0.118 0.000 1.340 147 F CB -0.399 38.682 39.000 0.136 0.000 1.031 147 F HN 0.464 nan 8.300 nan 0.000 0.500 148 H N 0.896 120.107 119.070 0.236 0.000 2.293 148 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 148 H C 1.226 176.624 175.328 0.117 0.000 1.082 148 H CA 0.992 57.134 56.048 0.156 0.000 1.308 148 H CB -0.453 29.382 29.762 0.121 0.000 1.375 148 H HN 0.105 nan 8.280 nan 0.000 0.495 152 S N 0.364 115.991 115.700 -0.122 0.000 2.646 152 S HA 0.582 5.052 4.470 -0.000 0.000 0.276 152 S C 0.788 175.379 174.600 -0.015 0.000 1.222 152 S CA 0.260 58.393 58.200 -0.112 0.000 1.014 152 S CB 1.556 64.567 63.200 -0.314 0.000 0.991 152 S HN 0.527 nan 8.310 nan 0.000 0.533 153 G N 2.134 110.959 108.800 0.041 0.000 2.634 153 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.309 153 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.309 153 G C -0.001 174.904 174.900 0.008 0.000 1.265 153 G CA 0.399 45.541 45.100 0.071 0.000 0.998 153 G HN 0.805 nan 8.290 nan 0.000 0.551 154 R N 2.034 122.549 120.500 0.025 0.000 2.288 154 R HA 0.420 4.760 4.340 -0.000 0.000 0.330 154 R C -2.176 174.126 176.300 0.004 0.000 1.069 154 R CA -1.201 54.903 56.100 0.007 0.000 0.941 154 R CB 0.421 30.728 30.300 0.012 0.000 0.998 154 R HN 0.270 nan 8.270 nan 0.000 0.452 155 P HA 0.200 nan 4.420 nan 0.000 0.271 155 P C -0.617 176.683 177.300 0.000 0.000 1.218 155 P CA -0.166 62.932 63.100 -0.004 0.000 0.780 155 P CB 1.363 33.062 31.700 -0.002 0.000 0.901 156 G N 1.463 110.263 108.800 -0.001 0.000 2.608 156 G HA2 0.581 4.541 3.960 -0.000 0.000 0.291 156 G HA3 0.581 4.541 3.960 -0.000 0.000 0.291 156 G C -3.269 171.627 174.900 -0.006 0.000 1.425 156 G CA -1.192 43.910 45.100 0.002 0.000 0.787 156 G HN 0.253 nan 8.290 nan 0.000 0.484 157 P HA 0.582 nan 4.420 nan 0.000 0.278 157 P C -0.794 176.490 177.300 -0.026 0.000 1.258 157 P CA -0.495 62.596 63.100 -0.014 0.000 0.811 157 P CB 2.068 33.772 31.700 0.006 0.000 1.063 158 V N 1.907 121.790 119.914 -0.052 0.000 2.789 158 V HA 0.408 4.528 4.120 -0.000 0.000 0.311 158 V C -0.104 175.955 176.094 -0.059 0.000 1.073 158 V CA -0.806 61.460 62.300 -0.055 0.000 0.921 158 V CB 2.099 33.872 31.823 -0.084 0.000 1.009 158 V HN 0.447 nan 8.190 nan 0.000 0.426 159 L N 4.634 125.832 121.223 -0.042 0.000 2.333 159 L HA 0.778 5.118 4.340 -0.000 0.000 0.280 159 L C -1.146 175.697 176.870 -0.045 0.000 1.004 159 L CA -0.395 54.418 54.840 -0.046 0.000 0.820 159 L CB 1.719 43.760 42.059 -0.030 0.000 1.247 159 L HN 0.491 nan 8.230 nan 0.000 0.416 160 V N 3.580 123.457 119.914 -0.061 0.000 2.409 160 V HA 0.353 4.473 4.120 -0.000 0.000 0.291 160 V C -0.869 175.190 176.094 -0.059 0.000 1.020 160 V CA -0.531 61.738 62.300 -0.052 0.000 0.848 160 V CB 1.642 33.433 31.823 -0.052 0.000 0.990 160 V HN 0.708 nan 8.190 nan 0.000 0.430 161 D N 4.697 125.075 120.400 -0.038 0.000 2.381 161 D HA 0.513 5.153 4.640 -0.000 0.000 0.235 161 D C -0.748 175.540 176.300 -0.020 0.000 1.068 161 D CA -0.183 53.797 54.000 -0.033 0.000 0.832 161 D CB 1.163 41.948 40.800 -0.025 0.000 1.101 161 D HN 0.433 nan 8.370 nan 0.000 0.515 162 L N 5.872 127.084 121.223 -0.018 0.000 2.301 162 L HA 0.433 4.773 4.340 -0.000 0.000 0.278 162 L C -2.148 174.739 176.870 0.028 0.000 1.022 162 L CA -2.036 52.804 54.840 0.001 0.000 0.854 162 L CB 1.509 43.566 42.059 -0.002 0.000 1.226 162 L HN 0.246 nan 8.230 nan 0.000 0.429 163 P HA -0.057 nan 4.420 nan 0.000 0.265 163 P C 0.610 177.977 177.300 0.112 0.000 1.193 163 P CA 0.054 63.200 63.100 0.076 0.000 0.765 163 P CB 0.538 32.272 31.700 0.057 0.000 0.823 164 F N 3.918 123.880 119.950 0.019 0.000 2.091 164 F HA -0.302 4.224 4.527 -0.000 0.000 0.299 164 F C 1.925 177.741 175.800 0.027 0.000 1.103 164 F CA 2.392 60.409 58.000 0.029 0.000 1.228 164 F CB -0.211 38.806 39.000 0.028 0.000 0.984 164 F HN 0.367 nan 8.300 nan 0.000 0.477 165 D N -0.406 120.141 120.400 0.245 0.000 2.219 165 D HA -0.138 4.502 4.640 -0.000 0.000 0.205 165 D C 2.147 178.466 176.300 0.030 0.000 0.970 165 D CA 1.405 55.490 54.000 0.141 0.000 0.851 165 D CB -1.103 39.785 40.800 0.145 0.000 0.943 165 D HN 0.321 nan 8.370 nan 0.000 0.488 166 V N 0.820 120.747 119.914 0.022 0.000 2.427 166 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 166 V C 2.748 178.819 176.094 -0.040 0.000 1.051 166 V CA 1.629 63.928 62.300 -0.002 0.000 1.048 166 V CB -0.656 31.173 31.823 0.009 0.000 0.666 166 V HN 0.167 nan 8.190 nan 0.000 0.456 167 Q N 0.040 119.793 119.800 -0.077 0.000 2.050 167 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 167 Q C 2.246 178.162 176.000 -0.140 0.000 0.980 167 Q CA 2.222 57.959 55.803 -0.111 0.000 0.840 167 Q CB -0.321 28.318 28.738 -0.164 0.000 0.898 167 Q HN 0.730 nan 8.270 nan 0.000 0.424 168 V N -2.429 117.372 119.914 -0.188 0.000 3.406 168 V HA 0.295 4.415 4.120 -0.000 0.000 0.263 168 V C 0.825 176.878 176.094 -0.068 0.000 1.172 168 V CA 0.192 62.400 62.300 -0.154 0.000 1.140 168 V CB -0.746 30.955 31.823 -0.203 0.000 0.784 168 V HN 0.158 nan 8.190 nan 0.000 0.467 169 A N 1.253 124.046 122.820 -0.046 0.000 2.407 169 A HA 0.373 4.693 4.320 -0.000 0.000 0.248 169 A C 0.440 178.014 177.584 -0.016 0.000 1.082 169 A CA -0.272 51.755 52.037 -0.016 0.000 0.785 169 A CB 0.007 19.005 19.000 -0.003 0.000 1.020 169 A HN 0.542 nan 8.150 nan 0.000 0.489 170 E N 0.992 121.191 120.200 -0.001 0.000 2.338 170 E HA 0.408 4.758 4.350 -0.000 0.000 0.272 170 E C -0.125 176.483 176.600 0.013 0.000 1.029 170 E CA 0.145 56.549 56.400 0.006 0.000 0.872 170 E CB 1.062 30.770 29.700 0.013 0.000 1.015 170 E HN 0.620 nan 8.360 nan 0.000 0.417 171 I N -1.671 118.911 120.570 0.020 0.000 3.042 171 I HA 0.505 4.675 4.170 -0.000 0.000 0.310 171 I C -0.512 175.647 176.117 0.070 0.000 1.117 171 I CA -1.266 60.056 61.300 0.037 0.000 1.003 171 I CB 2.282 40.295 38.000 0.021 0.000 1.228 171 I HN 0.174 nan 8.210 nan 0.000 0.443 172 E N 2.392 122.645 120.200 0.087 0.000 2.174 172 E HA 0.535 4.885 4.350 -0.000 0.000 0.282 172 E C -1.944 174.776 176.600 0.200 0.000 0.992 172 E CA -0.287 56.175 56.400 0.103 0.000 0.803 172 E CB 1.196 30.934 29.700 0.063 0.000 1.090 172 E HN 0.534 nan 8.360 nan 0.000 0.396 173 F N 3.900 123.835 119.950 -0.024 0.000 2.630 173 F HA 0.272 4.799 4.527 -0.000 0.000 0.325 173 F C -1.640 174.113 175.800 -0.078 0.000 1.184 173 F CA -1.011 56.968 58.000 -0.036 0.000 1.011 173 F CB 1.732 40.712 39.000 -0.033 0.000 1.268 173 F HN 0.376 nan 8.300 nan 0.000 0.480 174 D N 8.081 128.128 120.400 -0.590 0.000 2.412 174 D HA 0.360 5.000 4.640 -0.000 0.000 0.224 174 D C -1.660 174.165 176.300 -0.793 0.000 1.093 174 D CA -2.089 51.602 54.000 -0.516 0.000 0.850 174 D CB 1.978 42.601 40.800 -0.295 0.000 1.046 174 D HN 0.294 nan 8.370 nan 0.000 0.507 175 P HA -0.057 nan 4.420 nan 0.000 0.221 175 P C 0.092 177.231 177.300 -0.269 0.000 1.150 175 P CA 0.367 63.116 63.100 -0.586 0.000 0.800 175 P CB 0.564 31.805 31.700 -0.765 0.000 0.787 179 E N 7.894 127.695 120.200 -0.665 0.000 2.216 179 E HA 0.534 4.884 4.350 -0.000 0.000 0.260 179 E C -2.768 173.463 176.600 -0.615 0.000 0.880 179 E CA -2.417 53.710 56.400 -0.454 0.000 0.765 179 E CB 1.760 31.316 29.700 -0.239 0.000 1.174 179 E HN 0.292 nan 8.360 nan 0.000 0.417 180 P HA -0.006 nan 4.420 nan 0.000 0.266 180 P C -0.552 176.693 177.300 -0.092 0.000 1.195 180 P CA 0.146 63.144 63.100 -0.171 0.000 0.768 180 P CB 0.445 32.133 31.700 -0.020 0.000 0.838 181 L N 4.879 126.094 121.223 -0.013 0.000 2.452 181 L HA 0.259 4.599 4.340 -0.000 0.000 0.267 181 L C -1.526 175.406 176.870 0.104 0.000 1.188 181 L CA -1.772 53.083 54.840 0.025 0.000 0.821 181 L CB -0.428 41.651 42.059 0.034 0.000 1.102 181 L HN 0.315 nan 8.230 nan 0.000 0.470 182 P HA 0.108 nan 4.420 nan 0.000 0.271 182 P C -0.784 176.663 177.300 0.245 0.000 1.218 182 P CA -0.319 62.859 63.100 0.130 0.000 0.780 182 P CB 0.732 32.488 31.700 0.093 0.000 0.901 183 V N 3.722 123.738 119.914 0.171 0.000 2.461 183 V HA 0.045 4.165 4.120 -0.000 0.000 0.275 183 V C 0.092 176.275 176.094 0.149 0.000 1.047 183 V CA -0.393 61.990 62.300 0.139 0.000 0.955 183 V CB -0.146 31.712 31.823 0.059 0.000 0.988 183 V HN 0.463 nan 8.190 nan 0.000 0.471 184 Y N 6.210 126.536 120.300 0.045 0.000 2.336 184 Y HA 0.522 5.072 4.550 -0.000 0.000 0.335 184 Y C 0.092 175.991 175.900 -0.002 0.000 1.046 184 Y CA -0.451 57.679 58.100 0.051 0.000 1.198 184 Y CB 0.511 39.035 38.460 0.107 0.000 1.182 184 Y HN 0.579 nan 8.280 nan 0.000 0.502 185 K N 8.320 128.280 120.400 -0.734 0.000 2.553 185 K HA 0.314 4.634 4.320 -0.000 0.000 0.250 185 K C -2.846 173.363 176.600 -0.651 0.000 0.953 185 K CA -1.915 53.953 56.287 -0.699 0.000 0.800 185 K CB 2.011 34.333 32.500 -0.296 0.000 1.243 185 K HN 0.496 nan 8.250 nan 0.000 0.435 186 P HA 0.258 nan 4.420 nan 0.000 0.274 186 P C -1.235 175.968 177.300 -0.160 0.000 1.231 186 P CA -0.495 62.446 63.100 -0.265 0.000 0.790 186 P CB 1.218 32.834 31.700 -0.140 0.000 0.951 187 A N 1.393 124.158 122.820 -0.093 0.000 2.414 187 A HA 0.680 5.000 4.320 -0.000 0.000 0.306 187 A C -0.178 177.379 177.584 -0.046 0.000 1.054 187 A CA -0.725 51.271 52.037 -0.069 0.000 0.724 187 A CB 1.425 20.391 19.000 -0.056 0.000 1.267 187 A HN 0.640 nan 8.150 nan 0.000 0.418 188 A N 1.332 124.125 122.820 -0.046 0.000 2.406 188 A HA 0.591 4.911 4.320 -0.000 0.000 0.243 188 A C 0.872 178.443 177.584 -0.022 0.000 1.082 188 A CA 0.451 52.467 52.037 -0.035 0.000 0.786 188 A CB -0.143 18.834 19.000 -0.039 0.000 1.029 188 A HN 2.018 nan 8.150 nan 0.000 0.495 189 S N 1.197 116.889 115.700 -0.014 0.000 2.646 189 S HA 0.539 5.009 4.470 -0.000 0.000 0.276 189 S C 0.370 174.968 174.600 -0.002 0.000 1.222 189 S CA -0.665 57.532 58.200 -0.006 0.000 1.014 189 S CB 0.914 64.113 63.200 -0.001 0.000 0.991 189 S HN 0.977 nan 8.310 nan 0.000 0.533 193 I N 1.966 122.550 120.570 0.024 0.000 2.315 193 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 193 I C 1.920 178.077 176.117 0.068 0.000 1.117 193 I CA 1.721 63.047 61.300 0.042 0.000 1.404 193 I CB -0.727 37.280 38.000 0.012 0.000 1.071 193 I HN 0.318 nan 8.210 nan 0.000 0.419 194 E N 0.756 120.987 120.200 0.051 0.000 2.085 194 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 194 E C 2.118 178.760 176.600 0.069 0.000 0.994 194 E CA 1.487 57.921 56.400 0.057 0.000 0.801 194 E CB -0.019 29.705 29.700 0.040 0.000 0.743 194 E HN 0.211 nan 8.360 nan 0.000 0.453 195 K N 0.801 121.238 120.400 0.061 0.000 2.057 195 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 195 K C 1.814 178.475 176.600 0.102 0.000 1.049 195 K CA 1.381 57.707 56.287 0.065 0.000 0.931 195 K CB -0.287 32.240 32.500 0.045 0.000 0.714 195 K HN 0.115 nan 8.250 nan 0.000 0.440 196 A N -0.104 122.796 122.820 0.133 0.000 1.902 196 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 196 A C 2.290 180.073 177.584 0.331 0.000 1.181 196 A CA 1.811 53.995 52.037 0.246 0.000 0.623 196 A CB -0.680 18.484 19.000 0.274 0.000 0.818 196 A HN 0.132 nan 8.150 nan 0.000 0.443 197 V N 0.260 120.312 119.914 0.230 0.000 2.453 197 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 197 V C 1.354 177.520 176.094 0.120 0.000 1.048 197 V CA 1.177 63.583 62.300 0.176 0.000 1.049 197 V CB -0.778 31.134 31.823 0.149 0.000 0.672 197 V HN 0.575 nan 8.190 nan 0.000 0.457 201 I N -0.065 120.518 120.570 0.021 0.000 2.493 201 I HA -0.140 4.030 4.170 -0.000 0.000 0.254 201 I C 1.812 177.925 176.117 -0.007 0.000 1.160 201 I CA 1.848 63.147 61.300 -0.002 0.000 1.445 201 I CB -0.592 37.411 38.000 0.006 0.000 1.086 201 I HN 0.595 nan 8.210 nan 0.000 0.433 202 Q N 2.008 121.810 119.800 0.003 0.000 2.403 202 Q HA 0.383 4.723 4.340 -0.000 0.000 0.203 202 Q C 0.867 176.851 176.000 -0.026 0.000 0.932 202 Q CA 0.187 55.985 55.803 -0.009 0.000 0.945 202 Q CB -0.082 28.657 28.738 0.001 0.000 1.045 202 Q HN 0.539 nan 8.270 nan 0.000 0.511 203 A N 1.417 124.218 122.820 -0.031 0.000 2.409 203 A HA 0.117 4.437 4.320 -0.000 0.000 0.262 203 A C 0.496 178.007 177.584 -0.122 0.000 1.113 203 A CA -0.444 51.551 52.037 -0.069 0.000 0.790 203 A CB 0.538 19.509 19.000 -0.049 0.000 1.046 203 A HN 0.359 nan 8.150 nan 0.000 0.496 204 E N 1.424 121.520 120.200 -0.173 0.000 2.112 204 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 204 E C 0.249 176.596 176.600 -0.422 0.000 0.979 204 E CA 0.776 57.044 56.400 -0.220 0.000 0.814 204 E CB 0.130 29.712 29.700 -0.197 0.000 0.762 204 E HN 0.654 nan 8.360 nan 0.000 0.460 205 R N 1.014 121.136 120.500 -0.630 0.000 2.674 205 R HA 0.209 4.549 4.340 -0.000 0.000 0.270 205 R C -2.624 173.149 176.300 -0.880 0.000 1.492 205 R CA -1.296 53.956 56.100 -1.413 0.000 1.624 205 R CB 1.389 30.691 30.300 -1.664 0.000 1.307 205 R HN 0.080 nan 8.270 nan 0.000 0.683 206 P HA 0.176 nan 4.420 nan 0.000 0.281 206 P C -0.376 177.070 177.300 0.244 0.000 1.249 206 P CA -0.352 62.738 63.100 -0.018 0.000 0.810 206 P CB 1.748 33.453 31.700 0.007 0.000 1.008 207 V N 0.092 120.149 119.914 0.238 0.000 2.789 207 V HA 0.571 4.691 4.120 -0.000 0.000 0.311 207 V C -0.329 175.915 176.094 0.249 0.000 1.073 207 V CA -1.124 61.334 62.300 0.264 0.000 0.921 207 V CB 1.811 33.796 31.823 0.270 0.000 1.009 207 V HN 0.309 nan 8.190 nan 0.000 0.426 208 I N 3.486 124.185 120.570 0.215 0.000 2.342 208 I HA 0.419 4.589 4.170 -0.000 0.000 0.291 208 I C -0.347 175.898 176.117 0.213 0.000 1.010 208 I CA -0.658 60.799 61.300 0.263 0.000 1.308 208 I CB 1.829 39.962 38.000 0.223 0.000 1.400 208 I HN 0.467 nan 8.210 nan 0.000 0.488 209 V N 6.797 126.844 119.914 0.221 0.000 2.333 209 V HA 0.448 4.568 4.120 -0.000 0.000 0.274 209 V C 0.425 176.559 176.094 0.066 0.000 1.028 209 V CA -0.492 61.889 62.300 0.134 0.000 0.851 209 V CB 1.153 33.054 31.823 0.131 0.000 1.000 209 V HN 0.812 nan 8.190 nan 0.000 0.456 210 A N 4.530 127.382 122.820 0.053 0.000 2.252 210 A HA 0.801 5.121 4.320 -0.000 0.000 0.309 210 A C 0.560 178.135 177.584 -0.014 0.000 1.285 210 A CA 0.059 52.120 52.037 0.039 0.000 0.900 210 A CB 0.651 19.689 19.000 0.064 0.000 1.157 210 A HN 0.893 nan 8.150 nan 0.000 0.536 211 G N 0.740 109.513 108.800 -0.045 0.000 2.552 211 G HA2 0.451 4.411 3.960 -0.000 0.000 0.318 211 G HA3 0.451 4.411 3.960 -0.000 0.000 0.318 211 G C 0.980 175.863 174.900 -0.029 0.000 1.240 211 G CA -0.050 45.003 45.100 -0.079 0.000 1.002 211 G HN 1.045 nan 8.290 nan 0.000 0.493 212 G N -0.768 108.014 108.800 -0.030 0.000 2.498 212 G HA2 0.053 4.013 3.960 -0.000 0.000 0.219 212 G HA3 0.053 4.013 3.960 -0.000 0.000 0.219 212 G C 1.591 176.489 174.900 -0.004 0.000 1.119 212 G CA 1.386 46.487 45.100 0.001 0.000 0.766 212 G HN 0.913 nan 8.290 nan 0.000 0.552 213 G N 0.446 109.234 108.800 -0.020 0.000 2.432 213 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 213 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 213 G C 1.712 176.606 174.900 -0.010 0.000 1.135 213 G CA 1.037 46.126 45.100 -0.019 0.000 0.767 213 G HN 0.315 nan 8.290 nan 0.000 0.550 214 V N 1.202 121.116 119.914 -0.000 0.000 2.295 214 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 214 V C 2.775 178.878 176.094 0.015 0.000 1.049 214 V CA 1.586 63.893 62.300 0.010 0.000 1.024 214 V CB -0.373 31.465 31.823 0.025 0.000 0.648 214 V HN 0.397 nan 8.190 nan 0.000 0.447 215 I N 0.188 120.772 120.570 0.023 0.000 2.226 215 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 215 I C 2.500 178.629 176.117 0.020 0.000 1.100 215 I CA 1.395 62.712 61.300 0.029 0.000 1.374 215 I CB -0.548 37.480 38.000 0.046 0.000 1.057 215 I HN 0.356 nan 8.210 nan 0.000 0.413 216 N N 1.368 120.076 118.700 0.013 0.000 2.104 216 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 216 N C 1.699 177.210 175.510 0.002 0.000 1.024 216 N CA 1.741 54.796 53.050 0.007 0.000 0.853 216 N CB -0.030 38.457 38.487 -0.001 0.000 1.008 216 N HN 0.349 nan 8.380 nan 0.000 0.424 217 A N -0.197 122.621 122.820 -0.004 0.000 2.208 217 A HA 0.011 4.331 4.320 -0.000 0.000 0.209 217 A C 0.343 177.926 177.584 -0.002 0.000 1.161 217 A CA 0.616 52.647 52.037 -0.010 0.000 0.782 217 A CB -0.065 18.923 19.000 -0.019 0.000 0.816 217 A HN 0.342 nan 8.150 nan 0.000 0.477 218 D N -2.729 117.675 120.400 0.007 0.000 2.716 218 D HA -0.168 4.472 4.640 -0.000 0.000 0.239 218 D C 0.278 176.585 176.300 0.011 0.000 1.125 218 D CA 0.993 54.999 54.000 0.011 0.000 0.681 218 D CB -1.390 39.416 40.800 0.010 0.000 1.070 218 D HN 0.600 nan 8.370 nan 0.000 0.432 219 A N -0.556 122.272 122.820 0.013 0.000 2.643 219 A HA 0.711 5.031 4.320 -0.000 0.000 0.295 219 A C 1.788 179.386 177.584 0.024 0.000 1.065 219 A CA 0.738 52.783 52.037 0.014 0.000 0.986 219 A CB 0.239 19.243 19.000 0.006 0.000 1.212 219 A HN 0.456 nan 8.150 nan 0.000 0.516 220 A N 0.244 123.079 122.820 0.025 0.000 1.898 220 A HA 0.190 4.510 4.320 -0.000 0.000 0.216 220 A C 2.377 179.979 177.584 0.030 0.000 1.181 220 A CA 1.911 53.964 52.037 0.028 0.000 0.620 220 A CB -0.716 18.298 19.000 0.024 0.000 0.819 220 A HN 1.226 nan 8.150 nan 0.000 0.442 221 A N -0.238 122.600 122.820 0.030 0.000 1.902 221 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 221 A C 2.166 179.777 177.584 0.045 0.000 1.181 221 A CA 1.572 53.630 52.037 0.035 0.000 0.623 221 A CB -0.625 18.394 19.000 0.031 0.000 0.818 221 A HN 0.472 nan 8.150 nan 0.000 0.443 222 L N -1.184 120.065 121.223 0.044 0.000 2.093 222 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 222 L C 2.547 179.471 176.870 0.091 0.000 1.085 222 L CA 1.043 55.917 54.840 0.057 0.000 0.755 222 L CB -0.439 41.640 42.059 0.034 0.000 0.904 222 L HN 0.490 nan 8.230 nan 0.000 0.435 223 L N -0.311 120.960 121.223 0.080 0.000 2.017 223 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 223 L C 2.675 179.607 176.870 0.103 0.000 1.073 223 L CA 1.680 56.590 54.840 0.116 0.000 0.745 223 L CB -0.421 41.687 42.059 0.082 0.000 0.894 223 L HN 0.257 nan 8.230 nan 0.000 0.432 224 Q N -0.844 118.979 119.800 0.039 0.000 2.077 224 Q HA -0.323 4.017 4.340 -0.000 0.000 0.206 224 Q C 2.344 178.357 176.000 0.021 0.000 0.989 224 Q CA 2.311 58.101 55.803 -0.021 0.000 0.853 224 Q CB -0.273 28.459 28.738 -0.009 0.000 0.907 224 Q HN 0.684 nan 8.270 nan 0.000 0.418 225 Q N -0.726 119.115 119.800 0.068 0.000 2.084 225 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 225 Q C 1.905 177.964 176.000 0.099 0.000 0.978 225 Q CA 1.557 57.408 55.803 0.080 0.000 0.844 225 Q CB -0.201 28.587 28.738 0.084 0.000 0.898 225 Q HN 0.467 nan 8.270 nan 0.000 0.426 226 F N 0.625 120.567 119.950 -0.013 0.000 2.134 226 F HA -0.102 4.425 4.527 0.000 0.000 0.299 226 F C 1.973 177.745 175.800 -0.047 0.000 1.097 226 F CA 1.386 59.369 58.000 -0.028 0.000 1.264 226 F CB -0.575 38.409 39.000 -0.026 0.000 1.001 226 F HN 0.115 nan 8.300 nan 0.000 0.479 227 A N 0.079 122.795 122.820 -0.173 0.000 1.902 227 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 227 A C 2.159 179.622 177.584 -0.202 0.000 1.181 227 A CA 1.794 53.675 52.037 -0.260 0.000 0.623 227 A CB -0.887 18.027 19.000 -0.142 0.000 0.818 227 A HN 0.536 nan 8.150 nan 0.000 0.443 228 E N -0.256 119.886 120.200 -0.096 0.000 2.051 228 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 228 E C 1.943 178.502 176.600 -0.068 0.000 0.991 228 E CA 1.242 57.628 56.400 -0.023 0.000 0.799 228 E CB -0.292 29.439 29.700 0.052 0.000 0.748 228 E HN 0.611 nan 8.360 nan 0.000 0.449 229 L N 0.546 121.711 121.223 -0.097 0.000 2.083 229 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 229 L C 2.617 179.392 176.870 -0.158 0.000 1.083 229 L CA 1.556 56.339 54.840 -0.094 0.000 0.752 229 L CB -0.413 41.619 42.059 -0.045 0.000 0.899 229 L HN 0.307 nan 8.230 nan 0.000 0.433 230 T N -5.639 108.732 114.554 -0.305 0.000 3.044 230 T HA 0.034 4.384 4.350 -0.000 0.000 0.250 230 T C 1.105 175.687 174.700 -0.197 0.000 1.081 230 T CA 0.479 62.390 62.100 -0.315 0.000 1.040 230 T CB 0.363 68.871 68.868 -0.598 0.000 0.962 230 T HN 0.190 nan 8.240 nan 0.000 0.506 231 S N 0.042 115.649 115.700 -0.154 0.000 3.682 231 S HA -0.134 4.336 4.470 -0.000 0.000 0.354 231 S C -0.077 174.494 174.600 -0.048 0.000 1.034 231 S CA 0.314 58.470 58.200 -0.073 0.000 1.084 231 S CB -2.096 61.084 63.200 -0.035 0.000 0.903 231 S HN 0.557 nan 8.310 nan 0.000 0.470 232 V N 2.851 122.704 119.914 -0.101 0.000 2.370 232 V HA 0.469 4.589 4.120 -0.000 0.000 0.283 232 V C -1.858 174.227 176.094 -0.014 0.000 1.023 232 V CA -1.784 60.497 62.300 -0.033 0.000 0.857 232 V CB 1.600 33.349 31.823 -0.122 0.000 0.985 232 V HN 0.278 nan 8.190 nan 0.000 0.443 233 P HA 0.126 nan 4.420 nan 0.000 0.267 233 P C -0.724 176.595 177.300 0.032 0.000 1.200 233 P CA 0.075 63.169 63.100 -0.009 0.000 0.772 233 P CB 0.557 32.211 31.700 -0.078 0.000 0.855 234 V N 4.625 124.543 119.914 0.007 0.000 2.459 234 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 234 V C 0.141 176.268 176.094 0.054 0.000 1.029 234 V CA -0.460 61.861 62.300 0.035 0.000 0.874 234 V CB 1.520 33.339 31.823 -0.007 0.000 0.985 234 V HN 0.366 nan 8.190 nan 0.000 0.438 235 I N 7.252 127.875 120.570 0.087 0.000 2.371 235 I HA 0.367 4.537 4.170 -0.000 0.000 0.282 235 I C -2.382 173.782 176.117 0.077 0.000 1.031 235 I CA -2.295 59.059 61.300 0.090 0.000 1.180 235 I CB 1.734 39.814 38.000 0.134 0.000 1.336 235 I HN 0.394 nan 8.210 nan 0.000 0.467 236 P HA 0.162 nan 4.420 nan 0.000 0.279 236 P C 0.201 177.491 177.300 -0.017 0.000 1.239 236 P CA -0.021 63.099 63.100 0.032 0.000 0.789 236 P CB 0.813 32.565 31.700 0.086 0.000 0.933 237 T N 0.938 115.467 114.554 -0.041 0.000 2.701 237 T HA 0.174 4.524 4.350 -0.000 0.000 0.303 237 T C 0.811 175.463 174.700 -0.079 0.000 1.030 237 T CA -0.625 61.426 62.100 -0.083 0.000 1.010 237 T CB 0.114 68.866 68.868 -0.194 0.000 1.007 237 T HN 0.236 nan 8.240 nan 0.000 0.532 241 W N 2.287 123.564 121.300 -0.039 0.000 2.443 241 W HA 0.407 5.067 4.660 -0.000 0.000 0.335 241 W C 1.217 177.724 176.519 -0.020 0.000 1.382 241 W CA 1.578 58.872 57.345 -0.084 0.000 1.305 241 W CB 0.018 29.331 29.460 -0.244 0.000 1.283 241 W HN 0.996 nan 8.180 nan 0.000 0.567 242 G N 2.630 111.478 108.800 0.081 0.000 2.253 242 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.209 242 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.209 242 G C 1.111 176.008 174.900 -0.005 0.000 0.997 242 G CA 0.210 45.263 45.100 -0.078 0.000 0.640 242 G HN 1.209 nan 8.290 nan 0.000 0.496 243 C N -0.023 119.304 119.300 0.046 0.000 2.456 243 C HA 0.707 5.167 4.460 -0.000 0.000 0.279 243 C C 1.182 176.183 174.990 0.018 0.000 1.427 243 C CA 0.152 59.191 59.018 0.035 0.000 1.778 243 C CB -0.834 26.934 27.740 0.047 0.000 1.842 243 C HN 0.641 nan 8.230 nan 0.000 0.531 244 I N 1.146 121.725 120.570 0.015 0.000 2.582 244 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 244 I C -2.630 173.495 176.117 0.014 0.000 1.066 244 I CA -2.625 58.665 61.300 -0.017 0.000 1.053 244 I CB 2.288 40.230 38.000 -0.097 0.000 1.241 244 I HN -0.144 nan 8.210 nan 0.000 0.421 245 P HA 0.152 nan 4.420 nan 0.000 0.269 245 P C -0.452 176.885 177.300 0.062 0.000 1.209 245 P CA 0.004 63.151 63.100 0.080 0.000 0.776 245 P CB 0.610 32.427 31.700 0.195 0.000 0.876 246 D N 0.892 121.221 120.400 -0.119 0.000 2.218 246 D HA -0.151 4.489 4.640 -0.000 0.000 0.204 246 D C 1.078 177.362 176.300 -0.027 0.000 0.976 246 D CA 1.296 55.215 54.000 -0.136 0.000 0.853 246 D CB -0.278 40.271 40.800 -0.418 0.000 0.939 246 D HN 0.519 nan 8.370 nan 0.000 0.481 247 D N -1.115 119.373 120.400 0.147 0.000 2.340 247 D HA -0.124 4.516 4.640 -0.000 0.000 0.220 247 D C 0.677 177.023 176.300 0.077 0.000 1.039 247 D CA -0.118 53.952 54.000 0.116 0.000 0.866 247 D CB -0.664 40.242 40.800 0.177 0.000 0.913 247 D HN 0.198 nan 8.370 nan 0.000 0.523 248 H N 1.847 120.928 119.070 0.018 0.000 2.815 248 H HA -0.013 4.543 4.556 -0.000 0.000 0.350 248 H C 1.205 176.511 175.328 -0.038 0.000 1.080 248 H CA 0.799 56.845 56.048 -0.002 0.000 1.433 248 H CB 1.210 30.974 29.762 0.005 0.000 1.432 248 H HN 0.274 nan 8.280 nan 0.000 0.592 249 E N 4.065 124.273 120.200 0.013 0.000 2.268 249 E HA -0.037 4.313 4.350 -0.000 0.000 0.195 249 E C 0.380 177.035 176.600 0.092 0.000 0.995 249 E CA 0.546 56.957 56.400 0.018 0.000 0.836 249 E CB 0.381 30.042 29.700 -0.065 0.000 0.763 249 E HN 0.361 nan 8.360 nan 0.000 0.491 256 G N 1.791 110.423 108.800 -0.279 0.000 2.352 256 G HA2 0.248 4.208 3.960 -0.000 0.000 0.283 256 G HA3 0.248 4.208 3.960 -0.000 0.000 0.283 256 G C -0.404 174.407 174.900 -0.148 0.000 1.308 256 G CA -0.200 44.769 45.100 -0.218 0.000 0.892 256 G HN 0.784 nan 8.290 nan 0.000 0.504 257 L N -0.330 120.829 121.223 -0.107 0.000 2.416 257 L HA 0.278 4.618 4.340 -0.000 0.000 0.216 257 L C 2.392 179.218 176.870 -0.074 0.000 1.098 257 L CA 1.060 55.856 54.840 -0.073 0.000 0.840 257 L CB 0.093 42.126 42.059 -0.044 0.000 0.981 257 L HN 0.636 nan 8.230 nan 0.000 0.462 258 Q N -1.075 118.665 119.800 -0.099 0.000 2.361 258 Q HA 0.046 4.386 4.340 -0.000 0.000 0.182 258 Q C 0.832 176.734 176.000 -0.164 0.000 0.650 258 Q CA 0.474 56.219 55.803 -0.097 0.000 0.842 258 Q CB 0.687 29.386 28.738 -0.064 0.000 1.211 258 Q HN 0.292 nan 8.270 nan 0.000 0.502 259 T N -0.144 114.292 114.554 -0.198 0.000 4.313 259 T HA 0.698 5.048 4.350 -0.000 0.000 0.272 259 T C -0.235 174.187 174.700 -0.464 0.000 1.298 259 T CA -0.023 61.889 62.100 -0.314 0.000 1.124 259 T CB -0.019 68.682 68.868 -0.279 0.000 1.352 259 T HN 0.309 nan 8.240 nan 0.000 1.013 260 A N 2.134 124.658 122.820 -0.493 0.000 2.593 260 A HA 0.729 5.049 4.320 -0.000 0.000 0.290 260 A C -0.923 176.242 177.584 -0.698 0.000 1.126 260 A CA -1.062 50.621 52.037 -0.590 0.000 0.695 260 A CB 1.152 19.937 19.000 -0.357 0.000 1.290 260 A HN 0.694 nan 8.150 nan 0.000 0.414 261 H N 0.066 118.874 119.070 -0.436 0.000 2.567 261 H HA 0.422 4.978 4.556 -0.000 0.000 0.345 261 H C 0.726 175.760 175.328 -0.489 0.000 1.169 261 H CA -0.525 55.158 56.048 -0.609 0.000 1.227 261 H CB 1.507 30.524 29.762 -1.242 0.000 1.607 261 H HN 0.751 nan 8.280 nan 0.000 0.534 262 R N 0.562 120.904 120.500 -0.264 0.000 2.081 262 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 262 R C 1.849 178.102 176.300 -0.079 0.000 1.131 262 R CA 1.844 57.870 56.100 -0.123 0.000 0.960 262 R CB -0.279 30.009 30.300 -0.020 0.000 0.856 262 R HN 0.620 nan 8.270 nan 0.000 0.436 263 Y N -1.253 119.062 120.300 0.026 0.000 2.242 263 Y HA 0.141 4.691 4.550 -0.000 0.000 0.291 263 Y C 2.306 178.199 175.900 -0.013 0.000 1.137 263 Y CA 0.613 58.706 58.100 -0.011 0.000 1.181 263 Y CB -1.245 37.186 38.460 -0.048 0.000 0.989 263 Y HN -0.075 nan 8.280 nan 0.000 0.527 264 G N 1.075 109.833 108.800 -0.069 0.000 2.459 264 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.217 264 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.217 264 G C 1.406 176.288 174.900 -0.030 0.000 1.183 264 G CA 1.314 46.405 45.100 -0.014 0.000 0.776 264 G HN 0.386 nan 8.290 nan 0.000 0.552 265 N N 1.136 119.789 118.700 -0.078 0.000 2.166 265 N HA -0.036 4.704 4.740 -0.000 0.000 0.186 265 N C 2.374 177.873 175.510 -0.018 0.000 1.019 265 N CA 1.321 54.334 53.050 -0.062 0.000 0.856 265 N CB -0.468 37.971 38.487 -0.080 0.000 0.993 265 N HN 0.335 nan 8.380 nan 0.000 0.426 266 A N -0.196 122.628 122.820 0.006 0.000 1.929 266 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 266 A C 2.323 179.946 177.584 0.065 0.000 1.176 266 A CA 1.690 53.747 52.037 0.033 0.000 0.628 266 A CB -0.946 18.081 19.000 0.044 0.000 0.816 266 A HN 0.262 nan 8.150 nan 0.000 0.444 267 T N 0.137 114.731 114.554 0.068 0.000 2.708 267 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 267 T C 1.866 176.675 174.700 0.181 0.000 1.037 267 T CA 1.521 63.682 62.100 0.101 0.000 1.146 267 T CB -0.359 68.520 68.868 0.018 0.000 0.865 267 T HN 0.369 nan 8.240 nan 0.000 0.435 268 L N 0.565 121.840 121.223 0.087 0.000 2.046 268 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 268 L C 2.165 179.030 176.870 -0.009 0.000 1.077 268 L CA 1.373 56.233 54.840 0.033 0.000 0.747 268 L CB -0.300 41.730 42.059 -0.049 0.000 0.896 268 L HN 0.242 nan 8.230 nan 0.000 0.432 269 L N -0.629 120.591 121.223 -0.006 0.000 2.275 269 L HA -0.142 4.198 4.340 -0.000 0.000 0.215 269 L C 2.511 179.393 176.870 0.020 0.000 1.119 269 L CA 0.836 55.666 54.840 -0.016 0.000 0.790 269 L CB -0.669 41.384 42.059 -0.010 0.000 0.919 269 L HN 0.358 nan 8.230 nan 0.000 0.443 270 A N -0.577 122.301 122.820 0.097 0.000 2.081 270 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 270 A C 1.480 179.098 177.584 0.057 0.000 1.158 270 A CA 0.547 52.667 52.037 0.138 0.000 0.724 270 A CB -0.230 18.949 19.000 0.298 0.000 0.826 270 A HN 0.421 nan 8.150 nan 0.000 0.463 271 S N 0.973 116.719 115.700 0.077 0.000 2.593 271 S HA 0.370 4.840 4.470 -0.000 0.000 0.269 271 S C -0.227 174.274 174.600 -0.166 0.000 1.334 271 S CA -0.066 58.073 58.200 -0.103 0.000 1.015 271 S CB 0.690 63.945 63.200 0.091 0.000 0.912 271 S HN 0.497 nan 8.310 nan 0.000 0.541 275 F N 4.027 124.084 119.950 0.179 0.000 2.351 275 F HA 0.687 5.214 4.527 -0.000 0.000 0.362 275 F C 1.025 176.936 175.800 0.186 0.000 1.131 275 F CA -0.169 57.941 58.000 0.183 0.000 1.187 275 F CB 0.908 40.020 39.000 0.187 0.000 1.434 275 F HN 0.600 nan 8.300 nan 0.000 0.553 276 G N 7.120 115.993 108.800 0.122 0.000 2.351 276 G HA2 0.463 4.423 3.960 -0.000 0.000 0.287 276 G HA3 0.463 4.423 3.960 -0.000 0.000 0.287 276 G C -0.620 174.321 174.900 0.069 0.000 1.159 276 G CA -0.418 44.744 45.100 0.104 0.000 0.929 276 G HN 0.608 nan 8.290 nan 0.000 0.435 277 I N 2.304 122.921 120.570 0.078 0.000 2.411 277 I HA 0.394 4.564 4.170 -0.000 0.000 0.284 277 I C 1.045 177.170 176.117 0.014 0.000 1.012 277 I CA -0.448 60.889 61.300 0.062 0.000 1.119 277 I CB 1.771 39.847 38.000 0.127 0.000 1.261 277 I HN 0.762 nan 8.210 nan 0.000 0.448 278 G N 4.170 112.967 108.800 -0.005 0.000 2.153 278 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 278 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 278 G C -0.083 174.782 174.900 -0.057 0.000 0.994 278 G CA 0.282 45.366 45.100 -0.027 0.000 0.698 278 G HN 0.778 nan 8.290 nan 0.000 0.521 279 N N -0.335 118.307 118.700 -0.096 0.000 2.443 279 N HA 0.664 5.404 4.740 -0.000 0.000 0.293 279 N C 0.407 175.796 175.510 -0.201 0.000 1.159 279 N CA -0.615 52.282 53.050 -0.254 0.000 0.904 279 N CB 1.144 39.325 38.487 -0.511 0.000 1.214 279 N HN 0.675 nan 8.380 nan 0.000 0.513 280 R N -0.737 119.600 120.500 -0.273 0.000 2.810 280 R HA 0.516 4.856 4.340 -0.000 0.000 0.245 280 R C -0.853 175.133 176.300 -0.523 0.000 1.168 280 R CA -0.703 55.271 56.100 -0.211 0.000 1.096 280 R CB 0.407 30.676 30.300 -0.051 0.000 1.259 280 R HN 0.392 nan 8.270 nan 0.000 0.518 281 F N 0.782 120.593 119.950 -0.233 0.000 2.334 281 F HA 0.386 4.913 4.527 -0.000 0.000 0.343 281 F C 0.356 176.024 175.800 -0.221 0.000 1.136 281 F CA -0.595 57.224 58.000 -0.301 0.000 1.237 281 F CB 1.129 39.924 39.000 -0.341 0.000 1.525 281 F HN 0.704 nan 8.300 nan 0.000 0.528 282 A N 1.861 124.614 122.820 -0.112 0.000 2.511 282 A HA 0.001 4.321 4.320 -0.000 0.000 0.242 282 A C 1.843 179.418 177.584 -0.014 0.000 1.069 282 A CA 0.120 52.125 52.037 -0.054 0.000 0.763 282 A CB 0.057 19.014 19.000 -0.073 0.000 1.001 282 A HN 0.831 nan 8.150 nan 0.000 0.498 283 N N 1.914 120.605 118.700 -0.014 0.000 2.122 283 N HA -0.261 4.479 4.740 -0.000 0.000 0.199 283 N C 1.337 176.840 175.510 -0.012 0.000 1.007 283 N CA 2.120 55.163 53.050 -0.012 0.000 0.892 283 N CB -0.079 38.405 38.487 -0.006 0.000 1.050 283 N HN 0.767 nan 8.380 nan 0.000 0.468 284 R N -1.474 119.022 120.500 -0.007 0.000 2.317 284 R HA -0.019 4.321 4.340 -0.000 0.000 0.208 284 R C 1.542 177.836 176.300 -0.011 0.000 0.914 284 R CA 0.209 56.300 56.100 -0.016 0.000 1.060 284 R CB -0.132 30.153 30.300 -0.024 0.000 1.015 284 R HN 0.494 nan 8.270 nan 0.000 0.498 285 H N 0.462 119.474 119.070 -0.096 0.000 2.384 285 H HA -0.014 4.542 4.556 -0.000 0.000 0.300 285 H C 2.115 177.394 175.328 -0.081 0.000 1.057 285 H CA 2.013 58.002 56.048 -0.098 0.000 1.370 285 H CB 0.436 30.117 29.762 -0.135 0.000 1.417 285 H HN 0.100 nan 8.280 nan 0.000 0.527 286 T N -3.142 111.357 114.554 -0.092 0.000 3.010 286 T HA 0.346 4.696 4.350 -0.000 0.000 0.252 286 T C 1.516 176.218 174.700 0.003 0.000 1.047 286 T CA 0.607 62.590 62.100 -0.195 0.000 1.140 286 T CB -0.311 68.331 68.868 -0.378 0.000 0.885 286 T HN 0.644 nan 8.240 nan 0.000 0.464 287 G N 1.381 110.171 108.800 -0.018 0.000 2.528 287 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.262 287 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.262 287 G C -0.058 174.846 174.900 0.007 0.000 1.200 287 G CA -0.152 44.949 45.100 0.002 0.000 0.951 287 G HN 0.829 nan 8.290 nan 0.000 0.566 288 S N 0.215 115.926 115.700 0.019 0.000 2.515 288 S HA 0.271 4.741 4.470 -0.000 0.000 0.285 288 S C 1.712 176.335 174.600 0.038 0.000 1.265 288 S CA 0.080 58.291 58.200 0.018 0.000 1.079 288 S CB 1.468 64.677 63.200 0.016 0.000 0.877 288 S HN 1.054 nan 8.310 nan 0.000 0.493 289 V N 3.924 123.847 119.914 0.015 0.000 2.380 289 V HA -0.214 3.906 4.120 -0.000 0.000 0.251 289 V C 2.106 178.228 176.094 0.048 0.000 1.063 289 V CA 1.927 64.238 62.300 0.018 0.000 1.055 289 V CB -0.668 31.134 31.823 -0.033 0.000 0.657 289 V HN 0.719 nan 8.190 nan 0.000 0.455 290 E N -0.028 120.186 120.200 0.023 0.000 2.118 290 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 290 E C 2.254 178.869 176.600 0.026 0.000 0.992 290 E CA 1.238 57.647 56.400 0.015 0.000 0.804 290 E CB -0.232 29.471 29.700 0.004 0.000 0.741 290 E HN 0.552 nan 8.360 nan 0.000 0.458 291 K N -0.653 119.772 120.400 0.041 0.000 2.103 291 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 291 K C 2.088 178.723 176.600 0.057 0.000 1.052 291 K CA 0.911 57.221 56.287 0.037 0.000 0.945 291 K CB -0.217 32.304 32.500 0.034 0.000 0.722 291 K HN 0.168 nan 8.250 nan 0.000 0.443 292 Y N 1.841 122.125 120.300 -0.028 0.000 2.274 292 Y HA -0.201 4.349 4.550 -0.000 0.000 0.290 292 Y C 1.915 177.796 175.900 -0.031 0.000 1.145 292 Y CA 1.476 59.563 58.100 -0.021 0.000 1.203 292 Y CB 0.125 38.580 38.460 -0.008 0.000 0.984 292 Y HN -0.075 nan 8.280 nan 0.000 0.533 293 T N -0.193 114.393 114.554 0.054 0.000 3.044 293 T HA 0.002 4.352 4.350 -0.000 0.000 0.250 293 T C 0.223 174.894 174.700 -0.048 0.000 1.081 293 T CA -0.212 61.879 62.100 -0.016 0.000 1.040 293 T CB -0.135 68.733 68.868 -0.000 0.000 0.962 293 T HN 0.238 nan 8.240 nan 0.000 0.506 294 E N 1.415 121.591 120.200 -0.040 0.000 2.585 294 E HA 0.193 4.543 4.350 -0.000 0.000 0.252 294 E C 0.919 177.488 176.600 -0.052 0.000 0.981 294 E CA 0.423 56.800 56.400 -0.039 0.000 0.943 294 E CB -0.105 29.577 29.700 -0.030 0.000 0.923 294 E HN 0.460 nan 8.360 nan 0.000 0.486 295 G N 4.406 113.179 108.800 -0.044 0.000 2.273 295 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.280 295 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.280 295 G C 0.067 174.932 174.900 -0.059 0.000 1.047 295 G CA 0.812 45.883 45.100 -0.048 0.000 0.869 295 G HN 0.571 nan 8.290 nan 0.000 0.502 296 R N -0.741 119.725 120.500 -0.057 0.000 2.548 296 R HA 0.445 4.785 4.340 -0.000 0.000 0.280 296 R C -0.176 176.098 176.300 -0.043 0.000 1.061 296 R CA -0.875 55.187 56.100 -0.063 0.000 0.915 296 R CB 1.131 31.375 30.300 -0.093 0.000 1.210 296 R HN 0.175 nan 8.270 nan 0.000 0.442 297 K N 3.453 123.838 120.400 -0.025 0.000 2.118 297 K HA 0.437 4.757 4.320 -0.000 0.000 0.264 297 K C -0.353 176.256 176.600 0.014 0.000 1.000 297 K CA -0.547 55.737 56.287 -0.004 0.000 0.929 297 K CB 0.922 33.430 32.500 0.013 0.000 1.021 297 K HN 0.319 nan 8.250 nan 0.000 0.463 298 I N 2.932 123.506 120.570 0.006 0.000 2.466 298 I HA 0.257 4.427 4.170 -0.000 0.000 0.289 298 I C -0.434 175.693 176.117 0.016 0.000 1.026 298 I CA -0.815 60.494 61.300 0.014 0.000 1.078 298 I CB 1.503 39.460 38.000 -0.071 0.000 1.249 298 I HN 0.248 nan 8.210 nan 0.000 0.429 299 V N 5.928 125.846 119.914 0.008 0.000 2.581 299 V HA 0.441 4.561 4.120 -0.000 0.000 0.303 299 V C -0.394 175.698 176.094 -0.002 0.000 1.041 299 V CA -0.568 61.666 62.300 -0.111 0.000 0.907 299 V CB 2.132 33.684 31.823 -0.452 0.000 0.994 299 V HN 0.712 nan 8.190 nan 0.000 0.442 300 H N 4.643 123.651 119.070 -0.102 0.000 2.924 300 H HA 0.572 5.128 4.556 -0.000 0.000 0.333 300 H C -1.414 173.869 175.328 -0.076 0.000 0.979 300 H CA -0.768 55.277 56.048 -0.005 0.000 1.326 300 H CB 1.410 31.260 29.762 0.147 0.000 1.600 300 H HN 0.563 nan 8.280 nan 0.000 0.520 301 I N 5.252 125.780 120.570 -0.070 0.000 2.355 301 I HA 0.235 4.405 4.170 -0.000 0.000 0.288 301 I C -0.507 175.483 176.117 -0.212 0.000 0.999 301 I CA -0.298 60.899 61.300 -0.171 0.000 1.163 301 I CB 1.505 39.434 38.000 -0.119 0.000 1.316 301 I HN 0.538 nan 8.210 nan 0.000 0.454 302 D N 4.996 125.224 120.400 -0.286 0.000 2.756 302 D HA 0.293 4.933 4.640 -0.000 0.000 0.226 302 D C 0.356 176.567 176.300 -0.148 0.000 1.186 302 D CA -0.540 53.323 54.000 -0.228 0.000 0.845 302 D CB 3.094 43.686 40.800 -0.347 0.000 1.610 302 D HN 0.496 nan 8.370 nan 0.000 0.465 303 I N 1.225 121.735 120.570 -0.100 0.000 2.676 303 I HA -0.097 4.073 4.170 -0.000 0.000 0.259 303 I C 0.286 176.371 176.117 -0.053 0.000 1.194 303 I CA 0.863 62.114 61.300 -0.083 0.000 1.473 303 I CB 0.358 38.312 38.000 -0.076 0.000 1.096 303 I HN 0.242 nan 8.210 nan 0.000 0.443 304 E N 0.623 120.794 120.200 -0.048 0.000 2.113 304 E HA 0.230 4.580 4.350 -0.000 0.000 0.273 304 E C -1.835 174.748 176.600 -0.028 0.000 0.924 304 E CA -2.413 53.978 56.400 -0.015 0.000 0.764 304 E CB 1.344 31.042 29.700 -0.003 0.000 1.104 304 E HN -0.021 nan 8.360 nan 0.000 0.406 305 P HA -0.170 nan 4.420 nan 0.000 0.216 305 P C 0.558 177.856 177.300 -0.003 0.000 1.157 305 P CA 1.522 64.616 63.100 -0.010 0.000 0.880 305 P CB 0.212 31.919 31.700 0.012 0.000 0.791 306 T N -0.814 113.747 114.554 0.011 0.000 3.163 306 T HA -0.049 4.301 4.350 -0.000 0.000 0.260 306 T C 1.473 176.194 174.700 0.034 0.000 1.156 306 T CA 0.710 62.823 62.100 0.022 0.000 1.072 306 T CB -0.398 68.484 68.868 0.023 0.000 0.937 306 T HN 0.165 nan 8.240 nan 0.000 0.528 307 Q N 0.274 120.093 119.800 0.031 0.000 2.408 307 Q HA 0.261 4.601 4.340 -0.000 0.000 0.205 307 Q C 0.570 176.659 176.000 0.149 0.000 0.919 307 Q CA 0.304 56.152 55.803 0.074 0.000 0.932 307 Q CB 0.284 29.054 28.738 0.053 0.000 1.058 307 Q HN 0.556 nan 8.270 nan 0.000 0.517 308 I N 0.579 121.189 120.570 0.066 0.000 2.301 308 I HA 0.235 4.405 4.170 -0.000 0.000 0.292 308 I C 0.818 177.006 176.117 0.119 0.000 1.046 308 I CA 0.030 61.398 61.300 0.114 0.000 1.282 308 I CB 0.902 38.872 38.000 -0.049 0.000 1.409 308 I HN 0.234 nan 8.210 nan 0.000 0.484 309 G N 5.011 113.904 108.800 0.155 0.000 2.176 309 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.232 309 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.232 309 G C 1.131 176.063 174.900 0.053 0.000 0.986 309 G CA 0.315 45.459 45.100 0.072 0.000 0.643 309 G HN 0.658 nan 8.290 nan 0.000 0.522 310 R N -0.269 120.277 120.500 0.077 0.000 2.090 310 R HA 0.279 4.619 4.340 -0.000 0.000 0.228 310 R C 2.205 178.526 176.300 0.035 0.000 1.110 310 R CA 2.148 58.281 56.100 0.055 0.000 0.973 310 R CB -0.086 30.256 30.300 0.070 0.000 0.869 310 R HN 0.413 nan 8.270 nan 0.000 0.440 311 V N 0.785 120.719 119.914 0.034 0.000 3.151 311 V HA 0.205 4.325 4.120 -0.000 0.000 0.241 311 V C 0.152 176.218 176.094 -0.046 0.000 1.173 311 V CA 0.421 62.722 62.300 0.001 0.000 1.154 311 V CB 0.844 32.678 31.823 0.017 0.000 0.898 311 V HN 0.269 nan 8.190 nan 0.000 0.473 312 L N -2.024 119.148 121.223 -0.085 0.000 2.415 312 L HA 0.600 4.940 4.340 -0.000 0.000 0.256 312 L C -0.987 175.827 176.870 -0.094 0.000 1.010 312 L CA -0.485 54.280 54.840 -0.124 0.000 0.826 312 L CB 0.851 42.771 42.059 -0.230 0.000 1.405 312 L HN 0.047 nan 8.230 nan 0.000 0.410 313 C N 4.415 123.672 119.300 -0.072 0.000 2.281 313 C HA 0.689 5.149 4.460 -0.000 0.000 0.336 313 C C -1.685 173.275 174.990 -0.051 0.000 1.217 313 C CA -0.767 58.228 59.018 -0.038 0.000 1.730 313 C CB -0.106 27.620 27.740 -0.024 0.000 2.338 313 C HN 0.755 nan 8.230 nan 0.000 0.521 314 P HA 0.251 nan 4.420 nan 0.000 0.277 314 P C 0.309 177.604 177.300 -0.008 0.000 1.240 314 P CA 0.062 63.151 63.100 -0.020 0.000 0.798 314 P CB 0.894 32.630 31.700 0.061 0.000 0.979 315 D N 0.243 120.636 120.400 -0.011 0.000 2.178 315 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 315 D C 1.205 177.506 176.300 0.002 0.000 0.974 315 D CA 1.212 55.209 54.000 -0.004 0.000 0.841 315 D CB 0.310 41.109 40.800 -0.000 0.000 0.953 315 D HN 0.173 nan 8.370 nan 0.000 0.478 316 L N -0.542 120.682 121.223 0.002 0.000 3.087 316 L HA 0.337 4.677 4.340 -0.000 0.000 0.169 316 L C 0.031 176.898 176.870 -0.005 0.000 1.276 316 L CA 1.640 56.477 54.840 -0.005 0.000 0.865 316 L CB -0.458 41.591 42.059 -0.017 0.000 1.368 316 L HN 0.133 nan 8.230 nan 0.000 0.548 317 G N 1.595 110.390 108.800 -0.008 0.000 3.445 317 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.634 317 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.634 317 G C -0.754 174.114 174.900 -0.054 0.000 0.909 317 G CA 0.199 45.289 45.100 -0.016 0.000 0.740 317 G HN 0.409 nan 8.290 nan 0.000 0.441 318 I N 1.857 122.370 120.570 -0.095 0.000 2.533 318 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 318 I C 0.408 176.458 176.117 -0.111 0.000 1.056 318 I CA -1.319 59.929 61.300 -0.086 0.000 1.057 318 I CB 2.368 40.319 38.000 -0.081 0.000 1.240 318 I HN 0.311 nan 8.210 nan 0.000 0.423 319 V N 4.726 124.592 119.914 -0.080 0.000 2.368 319 V HA 0.495 4.615 4.120 -0.000 0.000 0.266 319 V C 0.101 176.149 176.094 -0.075 0.000 1.045 319 V CA 0.111 62.363 62.300 -0.080 0.000 0.899 319 V CB 0.786 32.583 31.823 -0.044 0.000 1.006 319 V HN 0.782 nan 8.190 nan 0.000 0.470 320 S N 2.959 118.604 115.700 -0.092 0.000 2.558 320 S HA 0.282 4.752 4.470 -0.000 0.000 0.277 320 S C -1.131 173.411 174.600 -0.097 0.000 1.143 320 S CA -0.864 57.282 58.200 -0.091 0.000 0.865 320 S CB 1.650 64.803 63.200 -0.078 0.000 1.102 320 S HN 0.940 nan 8.310 nan 0.000 0.454 321 D N 2.361 122.698 120.400 -0.105 0.000 2.443 321 D HA 0.469 5.109 4.640 -0.000 0.000 0.239 321 D C 1.239 177.497 176.300 -0.071 0.000 1.136 321 D CA 0.641 54.585 54.000 -0.093 0.000 0.879 321 D CB 1.067 41.804 40.800 -0.104 0.000 1.195 321 D HN 0.604 nan 8.370 nan 0.000 0.443 322 A N 3.825 126.611 122.820 -0.056 0.000 1.968 322 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 322 A C 1.969 179.530 177.584 -0.038 0.000 1.169 322 A CA 1.259 53.271 52.037 -0.042 0.000 0.638 322 A CB -0.417 18.567 19.000 -0.027 0.000 0.812 322 A HN 0.694 nan 8.150 nan 0.000 0.446 323 K N -0.224 120.155 120.400 -0.035 0.000 2.062 323 K HA 0.012 4.332 4.320 -0.000 0.000 0.205 323 K C 2.154 178.733 176.600 -0.035 0.000 1.051 323 K CA 1.061 57.331 56.287 -0.028 0.000 0.941 323 K CB -0.296 32.191 32.500 -0.021 0.000 0.719 323 K HN 0.333 nan 8.250 nan 0.000 0.440 324 A N 1.037 123.830 122.820 -0.044 0.000 1.902 324 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 324 A C 2.315 179.869 177.584 -0.050 0.000 1.181 324 A CA 1.892 53.902 52.037 -0.045 0.000 0.623 324 A CB -0.842 18.126 19.000 -0.053 0.000 0.818 324 A HN 0.465 nan 8.150 nan 0.000 0.443 325 A N -0.509 122.275 122.820 -0.060 0.000 1.898 325 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 325 A C 2.156 179.678 177.584 -0.102 0.000 1.181 325 A CA 1.459 53.453 52.037 -0.071 0.000 0.620 325 A CB -0.546 18.412 19.000 -0.070 0.000 0.819 325 A HN 0.456 nan 8.150 nan 0.000 0.442 326 L N -0.781 120.384 121.223 -0.098 0.000 2.156 326 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 326 L C 2.708 179.526 176.870 -0.087 0.000 1.095 326 L CA 1.434 56.196 54.840 -0.130 0.000 0.770 326 L CB -0.559 41.459 42.059 -0.067 0.000 0.914 326 L HN 0.344 nan 8.230 nan 0.000 0.439 327 T N 0.054 114.579 114.554 -0.049 0.000 2.684 327 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 327 T C 1.918 176.602 174.700 -0.027 0.000 1.036 327 T CA 1.022 63.108 62.100 -0.025 0.000 1.148 327 T CB -0.075 68.783 68.868 -0.017 0.000 0.863 327 T HN 0.061 nan 8.240 nan 0.000 0.436 328 L N 0.722 121.920 121.223 -0.042 0.000 2.046 328 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 328 L C 2.469 179.310 176.870 -0.048 0.000 1.077 328 L CA 1.330 56.150 54.840 -0.034 0.000 0.747 328 L CB -1.372 40.667 42.059 -0.034 0.000 0.896 328 L HN 0.271 nan 8.230 nan 0.000 0.432 329 L N -0.711 120.432 121.223 -0.134 0.000 2.012 329 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 329 L C 2.706 179.560 176.870 -0.027 0.000 1.073 329 L CA 1.346 56.031 54.840 -0.259 0.000 0.748 329 L CB -1.221 40.326 42.059 -0.853 0.000 0.891 329 L HN 0.066 nan 8.230 nan 0.000 0.431 330 V N -0.353 119.576 119.914 0.025 0.000 2.343 330 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 330 V C 2.609 178.762 176.094 0.098 0.000 1.051 330 V CA 1.680 64.066 62.300 0.144 0.000 1.036 330 V CB -0.386 31.498 31.823 0.101 0.000 0.654 330 V HN 0.395 nan 8.190 nan 0.000 0.451 331 E N 0.411 120.642 120.200 0.052 0.000 2.058 331 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 331 E C 2.024 178.654 176.600 0.050 0.000 0.997 331 E CA 1.878 58.303 56.400 0.041 0.000 0.801 331 E CB -0.430 29.284 29.700 0.023 0.000 0.746 331 E HN 0.337 nan 8.360 nan 0.000 0.450 332 V N 0.800 120.747 119.914 0.054 0.000 2.358 332 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 332 V C 2.380 178.525 176.094 0.085 0.000 1.047 332 V CA 1.658 63.995 62.300 0.062 0.000 1.035 332 V CB -0.938 30.920 31.823 0.060 0.000 0.658 332 V HN 0.462 nan 8.190 nan 0.000 0.452 333 A N -0.673 122.227 122.820 0.133 0.000 1.908 333 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 333 A C 2.170 179.796 177.584 0.069 0.000 1.181 333 A CA 2.122 54.236 52.037 0.128 0.000 0.627 333 A CB -0.527 18.596 19.000 0.205 0.000 0.818 333 A HN 0.612 nan 8.150 nan 0.000 0.445 334 Q N 0.013 119.853 119.800 0.067 0.000 2.124 334 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 334 Q C 0.618 176.637 176.000 0.033 0.000 0.977 334 Q CA 0.972 56.801 55.803 0.043 0.000 0.850 334 Q CB -0.079 28.684 28.738 0.042 0.000 0.901 334 Q HN 0.770 nan 8.270 nan 0.000 0.429 338 K N 0.837 121.244 120.400 0.012 0.000 2.097 338 K HA 0.136 4.456 4.320 -0.000 0.000 0.205 338 K C 0.949 177.555 176.600 0.009 0.000 1.050 338 K CA 0.900 57.193 56.287 0.010 0.000 0.938 338 K CB 0.135 32.642 32.500 0.012 0.000 0.718 338 K HN 0.232 nan 8.250 nan 0.000 0.442 339 A N 0.451 123.277 122.820 0.010 0.000 2.251 339 A HA 0.378 4.698 4.320 -0.000 0.000 0.278 339 A C 0.865 178.453 177.584 0.007 0.000 1.206 339 A CA 0.152 52.194 52.037 0.009 0.000 0.822 339 A CB 0.144 19.151 19.000 0.011 0.000 1.187 339 A HN 0.310 nan 8.150 nan 0.000 0.504 340 G N -1.062 107.741 108.800 0.005 0.000 3.949 340 G HA2 0.369 4.329 3.960 -0.000 0.000 0.295 340 G HA3 0.369 4.329 3.960 -0.000 0.000 0.295 340 G C 0.650 175.551 174.900 0.003 0.000 1.286 340 G CA -0.299 44.803 45.100 0.003 0.000 1.171 340 G HN 0.630 nan 8.290 nan 0.000 0.586 341 R N -0.629 119.874 120.500 0.004 0.000 2.335 341 R HA 0.253 4.593 4.340 -0.000 0.000 0.210 341 R C 0.270 176.571 176.300 0.001 0.000 0.892 341 R CA -0.211 55.891 56.100 0.005 0.000 1.048 341 R CB 0.455 30.761 30.300 0.010 0.000 1.067 341 R HN 0.271 nan 8.270 nan 0.000 0.524 342 L N 4.186 125.407 121.223 -0.004 0.000 2.281 342 L HA 0.280 4.620 4.340 -0.000 0.000 0.285 342 L C -1.839 175.022 176.870 -0.015 0.000 1.074 342 L CA -1.882 52.950 54.840 -0.014 0.000 0.817 342 L CB 0.666 42.711 42.059 -0.023 0.000 1.168 342 L HN -0.133 nan 8.230 nan 0.000 0.434 343 P HA 0.044 nan 4.420 nan 0.000 0.274 343 P C -0.563 176.731 177.300 -0.009 0.000 1.237 343 P CA -0.621 62.472 63.100 -0.012 0.000 0.793 343 P CB 1.014 32.706 31.700 -0.014 0.000 0.977 344 C N 3.058 122.357 119.300 -0.001 0.000 2.585 344 C HA 0.274 4.734 4.460 -0.000 0.000 0.406 344 C C 1.199 176.202 174.990 0.022 0.000 1.312 344 C CA -0.403 58.619 59.018 0.006 0.000 1.924 344 C CB -1.077 26.666 27.740 0.006 0.000 2.578 344 C HN 0.538 nan 8.230 nan 0.000 0.580 345 R N 3.372 123.894 120.500 0.036 0.000 2.662 345 R HA 0.090 4.430 4.340 -0.000 0.000 0.396 345 R C 1.318 177.674 176.300 0.094 0.000 1.096 345 R CA -0.361 55.791 56.100 0.086 0.000 1.081 345 R CB 0.163 30.530 30.300 0.111 0.000 1.382 345 R HN 0.646 nan 8.270 nan 0.000 0.580 346 K N 2.114 122.546 120.400 0.054 0.000 2.032 346 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 346 K C 1.837 178.463 176.600 0.043 0.000 1.048 346 K CA 1.799 58.105 56.287 0.033 0.000 0.927 346 K CB 0.168 32.679 32.500 0.018 0.000 0.712 346 K HN 0.204 nan 8.250 nan 0.000 0.441 347 E N -0.765 119.479 120.200 0.074 0.000 2.047 347 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 347 E C 1.888 178.573 176.600 0.142 0.000 0.987 347 E CA 1.221 57.673 56.400 0.087 0.000 0.799 347 E CB -0.372 29.382 29.700 0.090 0.000 0.752 347 E HN 0.564 nan 8.360 nan 0.000 0.449 348 W N 1.536 122.826 121.300 -0.017 0.000 2.381 348 W HA -0.199 4.461 4.660 -0.000 0.000 0.301 348 W C 1.883 178.392 176.519 -0.017 0.000 1.205 348 W CA 1.793 59.128 57.345 -0.016 0.000 1.285 348 W CB -0.052 29.397 29.460 -0.018 0.000 1.133 348 W HN 0.156 nan 8.180 nan 0.000 0.521 349 V N 0.348 120.178 119.914 -0.140 0.000 2.407 349 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 349 V C 2.352 178.307 176.094 -0.231 0.000 1.055 349 V CA 2.125 64.266 62.300 -0.265 0.000 1.049 349 V CB -1.833 29.922 31.823 -0.113 0.000 0.662 349 V HN 0.161 nan 8.190 nan 0.000 0.455 350 A N 2.211 124.954 122.820 -0.128 0.000 1.858 350 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 350 A C 2.063 179.568 177.584 -0.131 0.000 1.190 350 A CA 2.058 54.035 52.037 -0.101 0.000 0.617 350 A CB -0.995 17.980 19.000 -0.043 0.000 0.827 350 A HN 0.788 nan 8.150 nan 0.000 0.443 351 D N -0.737 119.586 120.400 -0.129 0.000 2.317 351 D HA -0.071 4.569 4.640 -0.000 0.000 0.211 351 D C 1.742 177.908 176.300 -0.224 0.000 0.966 351 D CA 1.102 55.030 54.000 -0.120 0.000 0.876 351 D CB -1.089 39.698 40.800 -0.022 0.000 0.927 351 D HN 0.338 nan 8.370 nan 0.000 0.519 352 C N 0.422 119.476 119.300 -0.411 0.000 2.429 352 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 352 C C 2.708 177.528 174.990 -0.284 0.000 1.262 352 C CA 0.812 59.567 59.018 -0.439 0.000 1.733 352 C CB -0.891 26.470 27.740 -0.633 0.000 2.010 352 C HN 0.406 nan 8.230 nan 0.000 0.483 353 Q N -0.068 119.578 119.800 -0.255 0.000 2.167 353 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 353 Q C 2.207 178.088 176.000 -0.197 0.000 0.970 353 Q CA 1.437 57.104 55.803 -0.226 0.000 0.855 353 Q CB -0.233 28.397 28.738 -0.181 0.000 0.911 353 Q HN 0.620 nan 8.270 nan 0.000 0.438 354 Q N 1.156 120.868 119.800 -0.147 0.000 2.084 354 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 354 Q C 1.717 177.664 176.000 -0.087 0.000 0.978 354 Q CA 1.606 57.352 55.803 -0.095 0.000 0.844 354 Q CB 0.062 28.762 28.738 -0.062 0.000 0.898 354 Q HN 0.208 nan 8.270 nan 0.000 0.426 355 R N -0.146 120.298 120.500 -0.093 0.000 2.081 355 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 355 R C 2.301 178.544 176.300 -0.096 0.000 1.131 355 R CA 1.608 57.684 56.100 -0.039 0.000 0.960 355 R CB -0.264 30.035 30.300 -0.001 0.000 0.856 355 R HN 0.184 nan 8.270 nan 0.000 0.436 356 K N 1.250 121.461 120.400 -0.315 0.000 2.280 356 K HA -0.150 4.170 4.320 -0.000 0.000 0.202 356 K C 1.600 177.839 176.600 -0.602 0.000 1.047 356 K CA 1.279 57.069 56.287 -0.829 0.000 0.942 356 K CB 0.146 32.155 32.500 -0.818 0.000 0.739 356 K HN 0.172 nan 8.250 nan 0.000 0.457 357 R N -0.835 119.488 120.500 -0.295 0.000 2.432 357 R HA 0.089 4.429 4.340 -0.000 0.000 0.260 357 R C 0.777 177.124 176.300 0.078 0.000 0.935 357 R CA 0.651 56.664 56.100 -0.145 0.000 1.080 357 R CB 0.409 30.646 30.300 -0.106 0.000 1.155 357 R HN 0.075 nan 8.270 nan 0.000 0.531 358 T N -2.744 111.838 114.554 0.045 0.000 2.980 358 T HA 0.276 4.626 4.350 -0.000 0.000 0.252 358 T C 0.723 175.489 174.700 0.110 0.000 0.962 358 T CA -0.369 61.783 62.100 0.088 0.000 0.932 358 T CB 0.164 69.065 68.868 0.055 0.000 1.188 358 T HN 0.078 nan 8.240 nan 0.000 0.500 359 L N 3.026 124.333 121.223 0.141 0.000 2.512 359 L HA 0.528 4.868 4.340 -0.000 0.000 0.247 359 L C -0.633 176.381 176.870 0.241 0.000 1.204 359 L CA -0.437 54.507 54.840 0.173 0.000 1.153 359 L CB -0.075 42.090 42.059 0.177 0.000 1.415 359 L HN 0.201 nan 8.230 nan 0.000 0.406 360 L N 0.799 122.140 121.223 0.197 0.000 2.298 360 L HA 0.659 4.999 4.340 -0.000 0.000 0.268 360 L C 0.031 177.001 176.870 0.167 0.000 1.010 360 L CA -0.987 53.985 54.840 0.219 0.000 0.812 360 L CB 1.487 43.687 42.059 0.236 0.000 1.331 360 L HN 0.325 nan 8.230 nan 0.000 0.450 361 R N 0.376 120.985 120.500 0.180 0.000 2.599 361 R HA 0.367 4.707 4.340 -0.000 0.000 0.295 361 R C -0.966 175.447 176.300 0.189 0.000 0.963 361 R CA -0.988 55.215 56.100 0.172 0.000 0.883 361 R CB 2.392 32.793 30.300 0.169 0.000 1.171 361 R HN 0.414 nan 8.270 nan 0.000 0.450 362 K N 1.106 121.613 120.400 0.178 0.000 2.412 362 K HA 0.009 4.329 4.320 -0.000 0.000 0.281 362 K C 0.430 177.158 176.600 0.214 0.000 1.027 362 K CA 0.481 56.827 56.287 0.099 0.000 0.989 362 K CB 0.666 33.134 32.500 -0.055 0.000 0.935 362 K HN 0.773 nan 8.250 nan 0.000 0.475 363 T N -0.168 114.467 114.554 0.134 0.000 2.954 363 T HA -0.002 4.348 4.350 -0.000 0.000 0.252 363 T C 0.457 175.268 174.700 0.186 0.000 0.983 363 T CA -0.066 62.195 62.100 0.268 0.000 0.941 363 T CB -0.223 68.817 68.868 0.286 0.000 1.141 363 T HN 0.683 nan 8.240 nan 0.000 0.500 364 H N 1.071 120.065 119.070 -0.126 0.000 2.923 364 H HA 0.507 5.063 4.556 -0.000 0.000 0.251 364 H C -1.330 173.851 175.328 -0.246 0.000 1.741 364 H CA -1.276 54.707 56.048 -0.108 0.000 1.387 364 H CB -1.145 28.564 29.762 -0.087 0.000 1.740 364 H HN 0.242 nan 8.280 nan 0.000 0.544 365 F N 1.658 121.539 119.950 -0.115 0.000 2.420 365 F HA 0.181 4.708 4.527 -0.000 0.000 0.342 365 F C 0.963 176.659 175.800 -0.173 0.000 1.113 365 F CA -0.702 57.240 58.000 -0.095 0.000 1.059 365 F CB 1.492 40.481 39.000 -0.019 0.000 1.128 365 F HN 0.408 nan 8.300 nan 0.000 0.475 366 D N 1.427 121.845 120.400 0.030 0.000 2.340 366 D HA 0.024 4.664 4.640 -0.000 0.000 0.217 366 D C -0.078 176.247 176.300 0.042 0.000 1.081 366 D CA 0.188 54.181 54.000 -0.013 0.000 0.842 366 D CB -0.162 40.624 40.800 -0.024 0.000 0.934 366 D HN 0.443 nan 8.370 nan 0.000 0.511 367 N N 0.055 118.809 118.700 0.092 0.000 2.395 367 N HA 0.062 4.802 4.740 -0.000 0.000 0.246 367 N C -0.397 175.135 175.510 0.036 0.000 1.246 367 N CA 0.349 53.437 53.050 0.063 0.000 0.879 367 N CB 1.036 39.552 38.487 0.049 0.000 1.098 367 N HN -0.219 nan 8.380 nan 0.000 0.444 368 V N 2.507 122.441 119.914 0.033 0.000 2.525 368 V HA 0.393 4.513 4.120 -0.000 0.000 0.299 368 V C -1.832 174.285 176.094 0.039 0.000 1.034 368 V CA -1.318 61.003 62.300 0.036 0.000 0.863 368 V CB 1.460 33.303 31.823 0.034 0.000 0.999 368 V HN 0.718 nan 8.190 nan 0.000 0.423 369 P HA 0.308 nan 4.420 nan 0.000 0.272 369 P C -0.380 176.936 177.300 0.026 0.000 1.230 369 P CA -0.208 62.926 63.100 0.057 0.000 0.788 369 P CB 0.833 32.589 31.700 0.094 0.000 0.949 370 V N 2.127 122.048 119.914 0.011 0.000 2.655 370 V HA 0.029 4.149 4.120 -0.000 0.000 0.300 370 V C 1.088 177.159 176.094 -0.038 0.000 1.044 370 V CA 0.030 62.321 62.300 -0.014 0.000 1.095 370 V CB -0.131 31.670 31.823 -0.036 0.000 0.952 370 V HN 0.473 nan 8.190 nan 0.000 0.485 371 K N 7.020 127.380 120.400 -0.066 0.000 2.205 371 K HA 0.262 4.582 4.320 -0.000 0.000 0.279 371 K C -1.487 175.067 176.600 -0.078 0.000 1.027 371 K CA -1.510 54.695 56.287 -0.136 0.000 0.932 371 K CB 1.273 33.546 32.500 -0.379 0.000 1.032 371 K HN 0.409 nan 8.250 nan 0.000 0.466 372 P HA -0.223 nan 4.420 nan 0.000 0.220 372 P C 0.847 178.073 177.300 -0.123 0.000 1.148 372 P CA 1.272 64.315 63.100 -0.095 0.000 0.803 372 P CB 0.245 31.955 31.700 0.018 0.000 0.782 373 Q N 0.198 120.063 119.800 0.109 0.000 2.291 373 Q HA -0.143 4.197 4.340 -0.000 0.000 0.205 373 Q C 2.047 178.202 176.000 0.257 0.000 0.970 373 Q CA 1.159 57.150 55.803 0.313 0.000 0.876 373 Q CB -0.868 28.098 28.738 0.380 0.000 0.935 373 Q HN 0.128 nan 8.270 nan 0.000 0.455 374 R N 1.407 122.014 120.500 0.179 0.000 2.115 374 R HA -0.007 4.333 4.340 -0.000 0.000 0.230 374 R C 2.062 178.397 176.300 0.058 0.000 1.111 374 R CA 0.981 57.169 56.100 0.147 0.000 0.976 374 R CB -0.656 29.715 30.300 0.119 0.000 0.870 374 R HN 0.142 nan 8.270 nan 0.000 0.445 375 V N 0.163 120.014 119.914 -0.106 0.000 2.343 375 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 375 V C 1.699 177.768 176.094 -0.042 0.000 1.051 375 V CA 1.906 64.119 62.300 -0.144 0.000 1.036 375 V CB -0.617 30.999 31.823 -0.344 0.000 0.654 375 V HN 0.341 nan 8.190 nan 0.000 0.451 376 Y N 0.297 120.711 120.300 0.189 0.000 2.293 376 Y HA -0.182 4.368 4.550 -0.000 0.000 0.291 376 Y C 2.610 178.634 175.900 0.207 0.000 1.137 376 Y CA 1.420 59.624 58.100 0.172 0.000 1.202 376 Y CB -0.231 38.306 38.460 0.129 0.000 0.990 376 Y HN 0.287 nan 8.280 nan 0.000 0.537 377 E N 0.819 121.217 120.200 0.330 0.000 2.058 377 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 377 E C 0.690 177.447 176.600 0.261 0.000 0.997 377 E CA 0.823 57.400 56.400 0.295 0.000 0.801 377 E CB 0.094 29.957 29.700 0.272 0.000 0.746 377 E HN 0.334 nan 8.360 nan 0.000 0.450 381 K N 1.363 121.843 120.400 0.132 0.000 2.057 381 K HA 0.195 4.515 4.320 -0.000 0.000 0.206 381 K C 1.837 178.413 176.600 -0.039 0.000 1.050 381 K CA 1.512 57.812 56.287 0.021 0.000 0.935 381 K CB 0.032 32.560 32.500 0.046 0.000 0.715 381 K HN 0.189 nan 8.250 nan 0.000 0.439 382 A N 0.691 123.425 122.820 -0.143 0.000 1.970 382 A HA 0.074 4.394 4.320 -0.000 0.000 0.216 382 A C 0.607 177.903 177.584 -0.480 0.000 1.170 382 A CA 0.628 52.434 52.037 -0.384 0.000 0.645 382 A CB -0.075 18.525 19.000 -0.666 0.000 0.816 382 A HN 0.102 nan 8.150 nan 0.000 0.447 383 F N -0.975 118.992 119.950 0.028 0.000 2.470 383 F HA 0.572 5.099 4.527 -0.000 0.000 0.329 383 F C 1.233 177.080 175.800 0.077 0.000 1.072 383 F CA -0.680 57.341 58.000 0.035 0.000 0.989 383 F CB 1.216 40.232 39.000 0.027 0.000 1.193 383 F HN 0.142 nan 8.300 nan 0.000 0.481 384 G N 0.686 109.641 108.800 0.258 0.000 2.621 384 G HA2 0.139 4.099 3.960 -0.000 0.000 0.271 384 G HA3 0.139 4.099 3.960 -0.000 0.000 0.271 384 G C 0.753 175.745 174.900 0.152 0.000 1.236 384 G CA -0.560 44.627 45.100 0.145 0.000 0.958 384 G HN 0.797 nan 8.290 nan 0.000 0.512 385 R N -0.494 120.031 120.500 0.041 0.000 2.148 385 R HA -0.093 4.247 4.340 -0.000 0.000 0.227 385 R C 1.424 177.760 176.300 0.060 0.000 1.103 385 R CA 1.734 57.800 56.100 -0.058 0.000 0.983 385 R CB -0.145 29.985 30.300 -0.282 0.000 0.874 385 R HN 0.635 nan 8.270 nan 0.000 0.451 386 D N 0.418 120.853 120.400 0.058 0.000 2.336 386 D HA -0.056 4.584 4.640 -0.000 0.000 0.229 386 D C 0.582 176.990 176.300 0.180 0.000 1.061 386 D CA -0.150 53.918 54.000 0.114 0.000 0.875 386 D CB -0.245 40.612 40.800 0.095 0.000 0.904 386 D HN 0.010 nan 8.370 nan 0.000 0.525 387 V N 0.344 120.298 119.914 0.066 0.000 2.901 387 V HA -0.006 4.114 4.120 -0.000 0.000 0.307 387 V C -0.137 175.804 176.094 -0.255 0.000 1.084 387 V CA -0.288 61.905 62.300 -0.178 0.000 1.184 387 V CB 1.052 32.676 31.823 -0.331 0.000 0.941 387 V HN 0.550 nan 8.190 nan 0.000 0.493 388 C N 7.719 126.726 119.300 -0.489 0.000 2.356 388 C HA 0.573 5.033 4.460 -0.000 0.000 0.324 388 C C -0.546 174.169 174.990 -0.459 0.000 1.167 388 C CA -1.013 57.706 59.018 -0.499 0.000 1.420 388 C CB -0.640 26.750 27.740 -0.583 0.000 2.036 388 C HN 0.849 nan 8.230 nan 0.000 0.435 389 Y N 4.142 124.348 120.300 -0.157 0.000 2.304 389 Y HA 0.566 5.116 4.550 -0.000 0.000 0.328 389 Y C 0.498 176.148 175.900 -0.417 0.000 1.123 389 Y CA -0.633 57.326 58.100 -0.236 0.000 1.218 389 Y CB 1.216 39.614 38.460 -0.103 0.000 1.207 389 Y HN 0.396 nan 8.280 nan 0.000 0.495 390 V N 2.770 122.550 119.914 -0.223 0.000 2.487 390 V HA 0.616 4.736 4.120 -0.000 0.000 0.298 390 V C -0.168 175.772 176.094 -0.256 0.000 1.028 390 V CA -0.476 61.651 62.300 -0.288 0.000 0.860 390 V CB 1.730 33.379 31.823 -0.290 0.000 0.991 390 V HN 0.916 nan 8.190 nan 0.000 0.427 391 T N 2.330 116.740 114.554 -0.241 0.000 2.739 391 T HA 0.553 4.903 4.350 -0.000 0.000 0.303 391 T C 0.076 174.754 174.700 -0.037 0.000 1.389 391 T CA 0.551 62.575 62.100 -0.127 0.000 1.001 391 T CB 2.230 70.969 68.868 -0.214 0.000 1.436 391 T HN 0.658 nan 8.240 nan 0.000 0.500 392 T N 0.750 115.292 114.554 -0.019 0.000 3.413 392 T HA 0.590 4.940 4.350 -0.000 0.000 0.187 392 T C -0.465 174.169 174.700 -0.110 0.000 0.961 392 T CA -0.119 61.919 62.100 -0.103 0.000 1.085 392 T CB 0.068 68.927 68.868 -0.015 0.000 1.345 392 T HN 0.639 nan 8.240 nan 0.000 0.326 393 I N -0.175 120.363 120.570 -0.053 0.000 2.908 393 I HA 0.560 4.730 4.170 -0.000 0.000 0.300 393 I C -1.385 174.739 176.117 0.012 0.000 1.385 393 I CA 0.106 61.384 61.300 -0.036 0.000 1.004 393 I CB 1.972 39.926 38.000 -0.076 0.000 1.309 393 I HN 0.758 nan 8.210 nan 0.000 0.449 394 G N 4.276 113.091 108.800 0.025 0.000 2.353 394 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.424 394 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.424 394 G C -0.141 174.789 174.900 0.050 0.000 1.320 394 G CA -0.419 44.710 45.100 0.049 0.000 0.995 394 G HN 0.670 nan 8.290 nan 0.000 0.580 395 L N 0.912 122.167 121.223 0.053 0.000 2.131 395 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 395 L C 3.293 180.228 176.870 0.108 0.000 1.092 395 L CA 2.281 57.155 54.840 0.056 0.000 0.759 395 L CB -0.685 41.396 42.059 0.037 0.000 0.903 395 L HN 0.817 nan 8.230 nan 0.000 0.435 396 S N -0.335 115.449 115.700 0.140 0.000 2.359 396 S HA -0.333 4.137 4.470 -0.000 0.000 0.223 396 S C 1.925 176.630 174.600 0.175 0.000 1.039 396 S CA 1.626 59.955 58.200 0.216 0.000 1.042 396 S CB -0.518 62.794 63.200 0.186 0.000 0.915 396 S HN 0.514 nan 8.310 nan 0.000 0.439 397 Q N 1.052 120.917 119.800 0.108 0.000 2.212 397 Q HA 0.102 4.442 4.340 -0.000 0.000 0.199 397 Q C 2.187 178.224 176.000 0.063 0.000 0.950 397 Q CA 0.832 56.695 55.803 0.101 0.000 0.863 397 Q CB -0.220 28.571 28.738 0.089 0.000 0.944 397 Q HN 0.705 nan 8.270 nan 0.000 0.465 398 I N 1.110 121.689 120.570 0.015 0.000 2.142 398 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 398 I C 2.505 178.555 176.117 -0.112 0.000 1.078 398 I CA 1.233 62.508 61.300 -0.042 0.000 1.343 398 I CB -0.447 37.536 38.000 -0.029 0.000 1.046 398 I HN 0.167 nan 8.210 nan 0.000 0.405 399 A N 0.643 123.400 122.820 -0.105 0.000 1.933 399 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 399 A C 2.524 179.753 177.584 -0.593 0.000 1.175 399 A CA 1.781 53.705 52.037 -0.188 0.000 0.628 399 A CB -0.840 18.198 19.000 0.063 0.000 0.814 399 A HN 0.442 nan 8.150 nan 0.000 0.444 400 A N -0.023 122.335 122.820 -0.769 0.000 1.883 400 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 400 A C 2.497 179.923 177.584 -0.263 0.000 1.186 400 A CA 2.174 53.746 52.037 -0.775 0.000 0.624 400 A CB -1.028 17.834 19.000 -0.229 0.000 0.822 400 A HN 1.098 nan 8.150 nan 0.000 0.444 401 A N -0.193 122.541 122.820 -0.143 0.000 1.969 401 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 401 A C 1.582 178.857 177.584 -0.515 0.000 1.169 401 A CA 1.284 53.109 52.037 -0.354 0.000 0.635 401 A CB -0.490 18.323 19.000 -0.312 0.000 0.810 401 A HN 0.835 nan 8.150 nan 0.000 0.445 405 H N 0.394 119.561 119.070 0.162 0.000 2.717 405 H HA 0.758 5.314 4.556 -0.000 0.000 0.366 405 H C -1.275 173.757 175.328 -0.492 0.000 1.132 405 H CA -0.541 55.393 56.048 -0.190 0.000 1.180 405 H CB 2.894 32.456 29.762 -0.333 0.000 1.678 405 H HN 0.185 nan 8.280 nan 0.000 0.537 406 V N 2.841 122.213 119.914 -0.902 0.000 2.876 406 V HA 0.256 4.376 4.120 -0.000 0.000 0.312 406 V C -0.554 174.880 176.094 -1.101 0.000 1.085 406 V CA -0.414 61.383 62.300 -0.839 0.000 0.945 406 V CB 2.036 33.294 31.823 -0.942 0.000 1.017 406 V HN 0.703 nan 8.190 nan 0.000 0.428 407 F N 2.051 121.858 119.950 -0.237 0.000 2.825 407 F HA 0.524 5.051 4.527 -0.000 0.000 0.322 407 F C 0.345 176.001 175.800 -0.240 0.000 1.127 407 F CA -0.246 57.629 58.000 -0.208 0.000 1.164 407 F CB 0.674 39.561 39.000 -0.188 0.000 1.101 407 F HN 0.320 nan 8.300 nan 0.000 0.529 408 K N 0.730 121.001 120.400 -0.215 0.000 2.579 408 K HA 0.273 4.593 4.320 -0.000 0.000 0.284 408 K C -1.767 174.750 176.600 -0.138 0.000 0.990 408 K CA -0.864 55.271 56.287 -0.252 0.000 0.880 408 K CB 1.802 33.965 32.500 -0.561 0.000 1.488 408 K HN 0.081 nan 8.250 nan 0.000 0.425 409 D N 1.126 121.503 120.400 -0.037 0.000 2.345 409 D HA 0.239 4.879 4.640 -0.000 0.000 0.247 409 D C -0.634 175.746 176.300 0.133 0.000 1.108 409 D CA -0.220 53.806 54.000 0.044 0.000 0.894 409 D CB 0.852 41.676 40.800 0.040 0.000 1.203 409 D HN 0.630 nan 8.370 nan 0.000 0.430 410 R N 0.133 120.711 120.500 0.129 0.000 3.776 410 R HA -0.216 4.124 4.340 -0.000 0.000 0.312 410 R C -0.121 176.249 176.300 0.116 0.000 1.181 410 R CA 0.717 56.884 56.100 0.111 0.000 0.836 410 R CB -2.481 27.855 30.300 0.060 0.000 1.324 410 R HN 0.718 nan 8.270 nan 0.000 0.501 411 H N -1.831 117.218 119.070 -0.034 0.000 2.542 411 H HA 0.068 4.624 4.556 -0.000 0.000 0.283 411 H C -0.182 175.146 175.328 -0.000 0.000 1.059 411 H CA -0.045 55.958 56.048 -0.076 0.000 1.162 411 H CB 0.557 30.250 29.762 -0.114 0.000 1.539 411 H HN 0.278 nan 8.280 nan 0.000 0.543 412 W N 2.489 123.744 121.300 -0.076 0.000 2.521 412 W HA 0.279 4.939 4.660 0.000 0.000 0.310 412 W C -1.817 174.720 176.519 0.031 0.000 1.000 412 W CA -0.649 56.668 57.345 -0.046 0.000 1.353 412 W CB 0.783 30.186 29.460 -0.094 0.000 1.276 412 W HN -0.098 nan 8.180 nan 0.000 0.417 413 I N 6.027 126.431 120.570 -0.277 0.000 2.306 413 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 413 I C -0.311 175.687 176.117 -0.197 0.000 1.036 413 I CA -0.248 60.969 61.300 -0.138 0.000 1.221 413 I CB 0.603 38.545 38.000 -0.097 0.000 1.385 413 I HN 0.386 nan 8.210 nan 0.000 0.472 414 N N 5.710 124.313 118.700 -0.162 0.000 2.425 414 N HA 0.229 4.969 4.740 -0.000 0.000 0.289 414 N C -0.588 174.658 175.510 -0.439 0.000 1.074 414 N CA -0.544 52.317 53.050 -0.314 0.000 0.905 414 N CB 1.753 40.113 38.487 -0.212 0.000 1.586 414 N HN 0.579 nan 8.380 nan 0.000 0.490 415 C N 2.205 120.897 119.300 -1.013 0.000 2.485 415 C HA 0.532 4.992 4.460 -0.000 0.000 0.408 415 C C 1.861 176.535 174.990 -0.527 0.000 1.034 415 C CA -0.503 57.942 59.018 -0.955 0.000 1.267 415 C CB -1.290 25.444 27.740 -1.677 0.000 1.703 415 C HN 0.706 nan 8.230 nan 0.000 0.530 416 G N 1.714 110.335 108.800 -0.298 0.000 2.443 416 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 416 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 416 G C 1.609 176.407 174.900 -0.171 0.000 1.131 416 G CA 1.077 46.075 45.100 -0.170 0.000 0.775 416 G HN 0.664 nan 8.290 nan 0.000 0.547 417 Q N -0.171 119.501 119.800 -0.213 0.000 2.349 417 Q HA 0.447 4.787 4.340 -0.000 0.000 0.209 417 Q C 2.286 178.157 176.000 -0.215 0.000 0.920 417 Q CA 1.363 57.058 55.803 -0.179 0.000 0.901 417 Q CB -0.076 28.562 28.738 -0.167 0.000 1.021 417 Q HN 0.260 nan 8.270 nan 0.000 0.519 418 A N -0.529 122.078 122.820 -0.354 0.000 1.993 418 A HA 0.456 4.776 4.320 -0.000 0.000 0.207 418 A C 1.436 178.870 177.584 -0.250 0.000 1.224 418 A CA 0.511 52.322 52.037 -0.377 0.000 0.749 418 A CB -0.641 17.901 19.000 -0.763 0.000 0.884 418 A HN 0.565 nan 8.150 nan 0.000 0.467 419 G N 1.328 109.912 108.800 -0.361 0.000 2.395 419 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.292 419 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.292 419 G C -1.986 172.759 174.900 -0.260 0.000 0.953 419 G CA 0.151 45.048 45.100 -0.337 0.000 1.207 419 G HN 0.513 nan 8.290 nan 0.000 0.503 420 P HA 0.345 nan 4.420 nan 0.000 0.282 420 P C 0.795 177.965 177.300 -0.215 0.000 1.262 420 P CA -0.374 62.628 63.100 -0.162 0.000 0.773 420 P CB 1.048 32.710 31.700 -0.063 0.000 0.879 421 L N 2.665 123.670 121.223 -0.363 0.000 2.514 421 L HA 0.208 4.548 4.340 -0.000 0.000 0.280 421 L C 1.808 178.373 176.870 -0.507 0.000 1.223 421 L CA 1.314 55.753 54.840 -0.669 0.000 0.864 421 L CB -0.506 40.665 42.059 -1.481 0.000 1.118 421 L HN 0.825 nan 8.230 nan 0.000 0.494 422 G N 1.759 110.409 108.800 -0.251 0.000 2.194 422 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.236 422 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.236 422 G C 0.413 175.343 174.900 0.050 0.000 0.987 422 G CA 0.371 45.482 45.100 0.019 0.000 0.635 422 G HN 0.829 nan 8.290 nan 0.000 0.520 423 W N 1.726 122.887 121.300 -0.231 0.000 2.388 423 W HA 0.035 4.695 4.660 -0.000 0.000 0.294 423 W C 2.453 178.856 176.519 -0.192 0.000 1.212 423 W CA 2.722 59.856 57.345 -0.352 0.000 1.271 423 W CB -0.199 28.982 29.460 -0.465 0.000 1.126 423 W HN 0.169 nan 8.180 nan 0.000 0.535 424 T N 1.100 115.715 114.554 0.103 0.000 2.708 424 T HA -0.252 4.098 4.350 -0.000 0.000 0.266 424 T C 1.786 176.446 174.700 -0.067 0.000 1.037 424 T CA 2.130 64.263 62.100 0.054 0.000 1.146 424 T CB -0.521 68.472 68.868 0.207 0.000 0.865 424 T HN 0.109 nan 8.240 nan 0.000 0.435 425 I N 1.817 122.427 120.570 0.067 0.000 2.113 425 I HA -0.135 4.035 4.170 -0.000 0.000 0.238 425 I C -0.429 175.590 176.117 -0.163 0.000 1.070 425 I CA 1.291 62.634 61.300 0.071 0.000 1.332 425 I CB -1.390 36.639 38.000 0.049 0.000 1.044 425 I HN 0.208 nan 8.210 nan 0.000 0.402 426 P HA -0.170 nan 4.420 nan 0.000 0.217 426 P C 1.442 178.449 177.300 -0.489 0.000 1.150 426 P CA 2.062 64.985 63.100 -0.295 0.000 0.832 426 P CB -0.072 31.491 31.700 -0.229 0.000 0.787 427 A N 0.778 123.178 122.820 -0.701 0.000 1.883 427 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 427 A C 2.524 179.717 177.584 -0.653 0.000 1.186 427 A CA 2.533 54.010 52.037 -0.933 0.000 0.624 427 A CB -1.624 16.313 19.000 -1.772 0.000 0.822 427 A HN 0.234 nan 8.150 nan 0.000 0.444 428 A N -0.316 122.140 122.820 -0.606 0.000 1.883 428 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 428 A C 2.184 179.411 177.584 -0.596 0.000 1.186 428 A CA 1.606 53.246 52.037 -0.661 0.000 0.624 428 A CB -0.679 17.730 19.000 -0.986 0.000 0.822 428 A HN 0.487 nan 8.150 nan 0.000 0.444 429 L N -0.703 120.218 121.223 -0.502 0.000 2.083 429 L HA -0.139 4.200 4.340 -0.000 0.000 0.209 429 L C 2.803 179.550 176.870 -0.206 0.000 1.083 429 L CA 1.046 55.720 54.840 -0.277 0.000 0.752 429 L CB -0.729 41.240 42.059 -0.150 0.000 0.899 429 L HN 0.506 nan 8.230 nan 0.000 0.433 430 G N -0.590 108.009 108.800 -0.335 0.000 2.422 430 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 430 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 430 G C 1.583 176.433 174.900 -0.082 0.000 1.146 430 G CA 0.830 45.766 45.100 -0.273 0.000 0.769 430 G HN 0.194 nan 8.290 nan 0.000 0.547 431 V N 0.566 120.353 119.914 -0.211 0.000 2.343 431 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 431 V C 3.035 179.042 176.094 -0.146 0.000 1.051 431 V CA 1.755 63.934 62.300 -0.202 0.000 1.036 431 V CB -0.702 30.963 31.823 -0.262 0.000 0.654 431 V HN 0.493 nan 8.190 nan 0.000 0.451 432 C N 0.371 119.591 119.300 -0.133 0.000 2.425 432 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 432 C C 3.081 178.079 174.990 0.013 0.000 1.280 432 C CA 0.743 59.725 59.018 -0.060 0.000 1.744 432 C CB -1.371 26.349 27.740 -0.034 0.000 1.989 432 C HN 0.629 nan 8.230 nan 0.000 0.491 433 A N 0.345 123.213 122.820 0.081 0.000 1.969 433 A HA 0.148 4.468 4.320 -0.000 0.000 0.218 433 A C 2.319 180.017 177.584 0.190 0.000 1.169 433 A CA 1.816 53.961 52.037 0.179 0.000 0.635 433 A CB -0.659 18.553 19.000 0.354 0.000 0.810 433 A HN 0.563 nan 8.150 nan 0.000 0.445 434 A N -1.278 121.583 122.820 0.068 0.000 1.968 434 A HA 0.105 4.425 4.320 -0.000 0.000 0.217 434 A C 0.781 178.273 177.584 -0.153 0.000 1.169 434 A CA 1.540 53.421 52.037 -0.261 0.000 0.638 434 A CB -0.031 18.605 19.000 -0.607 0.000 0.812 434 A HN 0.401 nan 8.150 nan 0.000 0.446 435 D N -2.563 117.780 120.400 -0.094 0.000 2.319 435 D HA 0.338 4.978 4.640 -0.000 0.000 0.237 435 D C -2.556 173.720 176.300 -0.041 0.000 1.353 435 D CA -1.500 52.458 54.000 -0.071 0.000 0.992 435 D CB 1.277 42.017 40.800 -0.100 0.000 1.368 435 D HN -0.124 nan 8.370 nan 0.000 0.564 436 P HA -0.076 nan 4.420 nan 0.000 0.228 436 P C 0.937 178.240 177.300 0.005 0.000 1.151 436 P CA 0.684 63.789 63.100 0.010 0.000 0.770 436 P CB 0.358 32.073 31.700 0.025 0.000 0.786 437 K N -1.019 119.377 120.400 -0.007 0.000 2.400 437 K HA 0.060 4.380 4.320 -0.000 0.000 0.194 437 K C 0.941 177.529 176.600 -0.020 0.000 1.033 437 K CA 0.019 56.303 56.287 -0.004 0.000 1.021 437 K CB -0.093 32.407 32.500 0.000 0.000 0.808 437 K HN 0.052 nan 8.250 nan 0.000 0.505 438 R N 2.535 123.004 120.500 -0.052 0.000 2.449 438 R HA 0.005 4.345 4.340 -0.000 0.000 0.296 438 R C 0.046 176.289 176.300 -0.096 0.000 1.047 438 R CA 0.212 56.251 56.100 -0.102 0.000 1.018 438 R CB -0.164 30.038 30.300 -0.162 0.000 0.962 438 R HN 0.075 nan 8.270 nan 0.000 0.428 439 N N 4.302 122.937 118.700 -0.108 0.000 2.895 439 N HA 0.053 4.793 4.740 -0.000 0.000 0.277 439 N C -0.967 174.419 175.510 -0.206 0.000 1.185 439 N CA -0.302 52.682 53.050 -0.110 0.000 1.106 439 N CB 0.393 38.838 38.487 -0.069 0.000 1.422 439 N HN 0.204 nan 8.380 nan 0.000 0.521 440 V N 2.886 122.700 119.914 -0.166 0.000 2.488 440 V HA 0.210 4.330 4.120 -0.000 0.000 0.277 440 V C 0.250 176.251 176.094 -0.155 0.000 1.046 440 V CA -0.326 61.855 62.300 -0.198 0.000 0.986 440 V CB 1.337 33.054 31.823 -0.178 0.000 0.989 440 V HN 0.149 nan 8.190 nan 0.000 0.475 441 V N 4.321 124.102 119.914 -0.222 0.000 2.525 441 V HA 0.762 4.882 4.120 -0.000 0.000 0.299 441 V C 0.185 176.261 176.094 -0.031 0.000 1.034 441 V CA -0.542 61.665 62.300 -0.155 0.000 0.863 441 V CB 1.707 33.279 31.823 -0.418 0.000 0.999 441 V HN 0.989 nan 8.190 nan 0.000 0.423 442 A N 5.475 128.264 122.820 -0.052 0.000 2.306 442 A HA 0.976 5.296 4.320 -0.000 0.000 0.330 442 A C -0.882 176.641 177.584 -0.101 0.000 1.146 442 A CA -0.478 51.419 52.037 -0.233 0.000 0.827 442 A CB 0.871 19.457 19.000 -0.690 0.000 1.178 442 A HN 0.728 nan 8.150 nan 0.000 0.490 443 I N 0.758 121.315 120.570 -0.021 0.000 2.436 443 I HA 0.524 4.694 4.170 -0.000 0.000 0.289 443 I C 0.165 176.413 176.117 0.218 0.000 1.010 443 I CA 0.213 61.600 61.300 0.144 0.000 1.098 443 I CB 2.083 40.178 38.000 0.158 0.000 1.266 443 I HN 0.422 nan 8.210 nan 0.000 0.434 444 S N 2.264 118.155 115.700 0.319 0.000 2.569 444 S HA 0.809 5.279 4.470 -0.000 0.000 0.280 444 S C -0.027 174.681 174.600 0.181 0.000 1.111 444 S CA -0.767 57.609 58.200 0.294 0.000 0.887 444 S CB 2.046 65.522 63.200 0.461 0.000 1.095 444 S HN 0.850 nan 8.310 nan 0.000 0.476 445 G N 0.492 109.393 108.800 0.167 0.000 2.580 445 G HA2 0.300 4.260 3.960 -0.000 0.000 0.278 445 G HA3 0.300 4.260 3.960 -0.000 0.000 0.278 445 G C 0.614 175.603 174.900 0.148 0.000 1.212 445 G CA -0.418 44.767 45.100 0.142 0.000 0.939 445 G HN 0.770 nan 8.290 nan 0.000 0.513 446 D N -0.627 119.863 120.400 0.150 0.000 2.144 446 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 446 D C 1.822 178.353 176.300 0.386 0.000 0.984 446 D CA 0.852 54.961 54.000 0.182 0.000 0.834 446 D CB -0.183 40.782 40.800 0.274 0.000 0.955 446 D HN 0.246 nan 8.370 nan 0.000 0.465 447 F N 1.910 121.982 119.950 0.204 0.000 2.128 447 F HA -0.067 4.460 4.527 -0.000 0.000 0.295 447 F C 2.000 177.949 175.800 0.248 0.000 1.100 447 F CA 1.175 59.322 58.000 0.245 0.000 1.260 447 F CB -0.474 38.644 39.000 0.196 0.000 1.009 447 F HN -0.158 nan 8.300 nan 0.000 0.476 448 D N -0.468 120.040 120.400 0.179 0.000 2.123 448 D HA -0.295 4.345 4.640 -0.000 0.000 0.196 448 D C 2.226 178.594 176.300 0.114 0.000 0.992 448 D CA 1.422 55.429 54.000 0.012 0.000 0.833 448 D CB -0.611 40.229 40.800 0.067 0.000 0.954 448 D HN 0.266 nan 8.370 nan 0.000 0.455 449 F N 0.806 120.772 119.950 0.027 0.000 2.161 449 F HA -0.132 4.395 4.527 0.000 0.000 0.300 449 F C 2.363 178.184 175.800 0.035 0.000 1.089 449 F CA 1.517 59.499 58.000 -0.031 0.000 1.282 449 F CB -0.162 38.742 39.000 -0.160 0.000 1.010 449 F HN 0.050 nan 8.300 nan 0.000 0.485 450 Q N -1.328 118.588 119.800 0.194 0.000 2.137 450 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 450 Q C 2.122 178.152 176.000 0.050 0.000 0.960 450 Q CA 1.106 56.991 55.803 0.138 0.000 0.847 450 Q CB -0.344 28.539 28.738 0.243 0.000 0.915 450 Q HN 0.329 nan 8.270 nan 0.000 0.448 451 F N 0.800 120.635 119.950 -0.192 0.000 2.045 451 F HA -0.234 4.293 4.527 -0.000 0.000 0.297 451 F C 1.255 176.968 175.800 -0.145 0.000 1.114 451 F CA 1.392 59.270 58.000 -0.204 0.000 1.207 451 F CB 0.020 38.892 39.000 -0.212 0.000 0.964 451 F HN 0.026 nan 8.300 nan 0.000 0.486 452 L N -0.438 120.814 121.223 0.049 0.000 3.083 452 L HA 0.223 4.563 4.340 -0.000 0.000 0.286 452 L C 1.252 178.059 176.870 -0.106 0.000 1.307 452 L CA -0.195 54.627 54.840 -0.031 0.000 0.897 452 L CB 0.406 42.453 42.059 -0.019 0.000 1.306 452 L HN 0.138 nan 8.230 nan 0.000 0.569 453 I N 1.055 121.535 120.570 -0.151 0.000 2.454 453 I HA -0.256 3.914 4.170 -0.000 0.000 0.254 453 I C 2.544 178.566 176.117 -0.158 0.000 1.156 453 I CA 1.339 62.471 61.300 -0.280 0.000 1.433 453 I CB 0.290 38.169 38.000 -0.203 0.000 1.082 453 I HN 0.547 nan 8.210 nan 0.000 0.432 454 E N 0.621 120.785 120.200 -0.060 0.000 2.265 454 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 454 E C 1.331 177.935 176.600 0.007 0.000 0.996 454 E CA 1.016 57.411 56.400 -0.010 0.000 0.832 454 E CB -0.537 29.176 29.700 0.023 0.000 0.756 454 E HN 0.546 nan 8.360 nan 0.000 0.491 455 E N 1.068 121.265 120.200 -0.006 0.000 2.409 455 E HA -0.023 4.327 4.350 -0.000 0.000 0.198 455 E C 2.295 178.923 176.600 0.047 0.000 1.024 455 E CA 0.213 56.627 56.400 0.023 0.000 0.861 455 E CB -0.325 29.374 29.700 -0.002 0.000 0.788 455 E HN 0.400 nan 8.360 nan 0.000 0.521 456 L N 0.497 121.731 121.223 0.018 0.000 2.081 456 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 456 L C 2.399 179.318 176.870 0.082 0.000 1.080 456 L CA 1.270 56.148 54.840 0.062 0.000 0.754 456 L CB -0.553 41.517 42.059 0.020 0.000 0.893 456 L HN 0.082 nan 8.230 nan 0.000 0.433 457 A N -0.580 122.278 122.820 0.064 0.000 2.067 457 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 457 A C 2.279 179.928 177.584 0.108 0.000 1.158 457 A CA 1.260 53.337 52.037 0.068 0.000 0.661 457 A CB -0.543 18.485 19.000 0.047 0.000 0.801 457 A HN 0.229 nan 8.150 nan 0.000 0.452 458 V N -0.115 119.889 119.914 0.150 0.000 2.295 458 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 458 V C 2.811 179.085 176.094 0.300 0.000 1.049 458 V CA 1.924 64.380 62.300 0.261 0.000 1.024 458 V CB -1.489 30.461 31.823 0.211 0.000 0.648 458 V HN 0.574 nan 8.190 nan 0.000 0.447 459 G N -0.616 108.315 108.800 0.217 0.000 2.448 459 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 459 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 459 G C 1.655 176.663 174.900 0.180 0.000 1.127 459 G CA 1.116 46.349 45.100 0.221 0.000 0.766 459 G HN 0.616 nan 8.290 nan 0.000 0.552 460 A N 0.120 123.019 122.820 0.131 0.000 1.878 460 A HA 0.078 4.398 4.320 -0.000 0.000 0.213 460 A C 2.232 179.846 177.584 0.049 0.000 1.192 460 A CA 1.733 53.818 52.037 0.081 0.000 0.619 460 A CB -0.488 18.541 19.000 0.047 0.000 0.837 460 A HN 0.416 nan 8.150 nan 0.000 0.446 461 Q N -1.066 118.742 119.800 0.013 0.000 1.993 461 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 461 Q C -0.309 175.532 176.000 -0.265 0.000 0.984 461 Q CA 1.042 56.748 55.803 -0.162 0.000 0.837 461 Q CB -0.190 28.380 28.738 -0.281 0.000 0.902 461 Q HN 0.501 nan 8.270 nan 0.000 0.423 462 F N 0.890 120.878 119.950 0.063 0.000 2.371 462 F HA 0.234 4.761 4.527 -0.000 0.000 0.329 462 F C 0.020 175.864 175.800 0.072 0.000 1.107 462 F CA -0.714 57.325 58.000 0.064 0.000 1.137 462 F CB 0.691 39.731 39.000 0.066 0.000 1.214 462 F HN -0.009 nan 8.300 nan 0.000 0.536 463 N N 2.465 121.303 118.700 0.230 0.000 3.083 463 N HA 0.338 5.078 4.740 -0.000 0.000 0.260 463 N C -1.134 174.478 175.510 0.170 0.000 1.163 463 N CA -0.022 53.127 53.050 0.165 0.000 1.060 463 N CB 0.019 38.579 38.487 0.123 0.000 1.345 463 N HN 0.390 nan 8.380 nan 0.000 0.515 464 I N 2.728 123.413 120.570 0.192 0.000 2.412 464 I HA 0.301 4.471 4.170 -0.000 0.000 0.279 464 I C -2.158 174.087 176.117 0.213 0.000 1.063 464 I CA -1.986 59.425 61.300 0.185 0.000 1.193 464 I CB 0.865 38.977 38.000 0.185 0.000 1.370 464 I HN 0.122 nan 8.210 nan 0.000 0.479 465 P HA 0.314 nan 4.420 nan 0.000 0.284 465 P C -1.410 176.038 177.300 0.247 0.000 1.253 465 P CA -0.061 63.142 63.100 0.172 0.000 0.800 465 P CB 1.092 32.866 31.700 0.124 0.000 0.961 466 Y N 0.278 120.611 120.300 0.055 0.000 2.750 466 Y HA 0.651 5.201 4.550 -0.000 0.000 0.335 466 Y C -1.700 174.238 175.900 0.063 0.000 1.252 466 Y CA -1.419 56.694 58.100 0.021 0.000 1.064 466 Y CB 0.653 39.098 38.460 -0.025 0.000 1.321 466 Y HN 0.111 nan 8.280 nan 0.000 0.451 467 I N 2.001 122.580 120.570 0.014 0.000 2.378 467 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 467 I C -1.093 175.063 176.117 0.065 0.000 0.992 467 I CA -0.532 60.760 61.300 -0.013 0.000 1.154 467 I CB 1.417 39.488 38.000 0.117 0.000 1.315 467 I HN 0.724 nan 8.210 nan 0.000 0.448 468 H N 5.321 124.367 119.070 -0.041 0.000 2.595 468 H HA 0.446 5.002 4.556 -0.000 0.000 0.313 468 H C -1.012 174.393 175.328 0.129 0.000 1.023 468 H CA -0.671 55.465 56.048 0.148 0.000 1.218 468 H CB 1.223 31.108 29.762 0.205 0.000 1.403 468 H HN 0.292 nan 8.280 nan 0.000 0.477 469 V N 6.568 126.700 119.914 0.363 0.000 2.408 469 V HA 0.044 4.164 4.120 -0.000 0.000 0.267 469 V C -0.285 175.940 176.094 0.219 0.000 1.047 469 V CA -0.490 61.990 62.300 0.300 0.000 0.937 469 V CB 0.723 32.751 31.823 0.342 0.000 0.999 469 V HN 0.475 nan 8.190 nan 0.000 0.472 470 L N 8.234 129.456 121.223 -0.003 0.000 2.294 470 L HA 0.608 4.948 4.340 -0.000 0.000 0.283 470 L C -0.147 176.642 176.870 -0.136 0.000 1.015 470 L CA -0.279 54.440 54.840 -0.202 0.000 0.831 470 L CB 1.640 43.307 42.059 -0.654 0.000 1.217 470 L HN 0.537 nan 8.230 nan 0.000 0.420 471 V N 2.667 122.553 119.914 -0.046 0.000 2.333 471 V HA 0.594 4.714 4.120 -0.000 0.000 0.274 471 V C -0.302 175.795 176.094 0.004 0.000 1.028 471 V CA -0.500 61.786 62.300 -0.022 0.000 0.851 471 V CB 0.944 32.776 31.823 0.015 0.000 1.000 471 V HN 0.866 nan 8.190 nan 0.000 0.456 472 N N 4.787 123.492 118.700 0.009 0.000 2.469 472 N HA 0.393 5.133 4.740 -0.000 0.000 0.253 472 N C 0.220 175.865 175.510 0.224 0.000 0.970 472 N CA -0.375 52.739 53.050 0.106 0.000 0.940 472 N CB 1.454 40.006 38.487 0.108 0.000 1.128 472 N HN 0.903 nan 8.380 nan 0.000 0.503 473 N N 2.909 121.735 118.700 0.210 0.000 2.200 473 N HA 0.149 4.889 4.740 -0.000 0.000 0.224 473 N C 0.092 175.638 175.510 0.060 0.000 1.179 473 N CA 0.158 53.328 53.050 0.199 0.000 0.877 473 N CB 0.085 38.668 38.487 0.159 0.000 1.072 473 N HN 0.462 nan 8.380 nan 0.000 0.519 474 A N -0.695 122.149 122.820 0.040 0.000 2.704 474 A HA -0.245 4.075 4.320 -0.000 0.000 0.299 474 A C -0.876 176.598 177.584 -0.184 0.000 1.507 474 A CA 0.927 52.893 52.037 -0.118 0.000 0.776 474 A CB -2.596 16.147 19.000 -0.429 0.000 1.027 474 A HN 0.620 nan 8.150 nan 0.000 0.475 475 Y N -2.426 117.841 120.300 -0.056 0.000 2.544 475 Y HA 0.493 5.043 4.550 -0.000 0.000 0.342 475 Y C 0.359 176.200 175.900 -0.099 0.000 1.062 475 Y CA -1.076 56.969 58.100 -0.091 0.000 1.023 475 Y CB 1.379 39.790 38.460 -0.082 0.000 1.308 475 Y HN 0.187 nan 8.280 nan 0.000 0.457 476 L N 3.840 125.104 121.223 0.069 0.000 2.395 476 L HA 0.172 4.512 4.340 -0.000 0.000 0.268 476 L C 1.244 178.141 176.870 0.045 0.000 1.223 476 L CA 0.254 55.073 54.840 -0.035 0.000 1.093 476 L CB -0.379 41.559 42.059 -0.202 0.000 1.349 476 L HN 1.054 nan 8.230 nan 0.000 0.427 477 G N 2.078 110.906 108.800 0.046 0.000 2.459 477 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 477 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 477 G C 1.356 176.212 174.900 -0.074 0.000 1.183 477 G CA 0.497 45.566 45.100 -0.051 0.000 0.776 477 G HN 0.516 nan 8.290 nan 0.000 0.552 478 L N 0.746 121.956 121.223 -0.021 0.000 2.042 478 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 478 L C 2.555 179.412 176.870 -0.022 0.000 1.076 478 L CA 1.428 56.256 54.840 -0.020 0.000 0.749 478 L CB -0.324 41.740 42.059 0.008 0.000 0.893 478 L HN 0.144 nan 8.230 nan 0.000 0.432 479 I N -0.564 120.000 120.570 -0.009 0.000 2.286 479 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 479 I C 2.639 178.750 176.117 -0.010 0.000 1.104 479 I CA 1.184 62.485 61.300 0.001 0.000 1.397 479 I CB -1.545 36.456 38.000 0.002 0.000 1.072 479 I HN 0.410 nan 8.210 nan 0.000 0.417 480 R N 1.044 121.519 120.500 -0.041 0.000 2.096 480 R HA -0.267 4.073 4.340 -0.000 0.000 0.240 480 R C 2.310 178.548 176.300 -0.103 0.000 1.139 480 R CA 2.229 58.278 56.100 -0.084 0.000 0.952 480 R CB -0.287 29.852 30.300 -0.268 0.000 0.854 480 R HN 0.462 nan 8.270 nan 0.000 0.436 481 Q N 0.156 119.877 119.800 -0.131 0.000 2.084 481 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 481 Q C 1.975 177.939 176.000 -0.060 0.000 0.978 481 Q CA 2.376 58.092 55.803 -0.145 0.000 0.844 481 Q CB -0.073 28.561 28.738 -0.173 0.000 0.898 481 Q HN 0.487 nan 8.270 nan 0.000 0.426 482 S N -0.464 115.233 115.700 -0.005 0.000 2.423 482 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 482 S C 1.657 176.343 174.600 0.144 0.000 1.014 482 S CA 1.105 59.343 58.200 0.064 0.000 0.965 482 S CB -0.193 63.053 63.200 0.076 0.000 0.785 482 S HN 0.468 nan 8.310 nan 0.000 0.495 483 Q N 0.393 120.265 119.800 0.119 0.000 2.472 483 Q HA 0.157 4.497 4.340 -0.000 0.000 0.208 483 Q C 2.173 178.276 176.000 0.173 0.000 0.958 483 Q CA 0.197 56.117 55.803 0.195 0.000 0.932 483 Q CB -0.056 28.752 28.738 0.116 0.000 1.007 483 Q HN 0.612 nan 8.270 nan 0.000 0.508 484 R N 0.350 120.897 120.500 0.078 0.000 2.091 484 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 484 R C 2.228 178.551 176.300 0.039 0.000 1.136 484 R CA 1.381 57.503 56.100 0.037 0.000 0.959 484 R CB -0.366 29.925 30.300 -0.015 0.000 0.856 484 R HN 0.177 nan 8.270 nan 0.000 0.437 485 A N 0.249 123.079 122.820 0.017 0.000 2.019 485 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 485 A C 1.460 178.898 177.584 -0.243 0.000 1.164 485 A CA 1.152 53.114 52.037 -0.126 0.000 0.644 485 A CB -0.401 18.471 19.000 -0.213 0.000 0.805 485 A HN 0.270 nan 8.150 nan 0.000 0.449 486 F N -0.370 119.585 119.950 0.009 0.000 2.732 486 F HA 0.227 4.754 4.527 -0.000 0.000 0.303 486 F C 0.707 176.506 175.800 -0.001 0.000 1.110 486 F CA -0.042 57.961 58.000 0.005 0.000 1.355 486 F CB -0.293 38.714 39.000 0.011 0.000 1.081 486 F HN 0.268 nan 8.300 nan 0.000 0.565 490 Y N 3.055 123.374 120.300 0.032 0.000 2.332 490 Y HA 0.326 4.876 4.550 -0.000 0.000 0.325 490 Y C 0.369 176.264 175.900 -0.007 0.000 1.054 490 Y CA -0.751 57.352 58.100 0.006 0.000 1.119 490 Y CB 0.666 39.121 38.460 -0.008 0.000 1.168 490 Y HN 0.533 nan 8.280 nan 0.000 0.439 491 C N 3.519 122.572 119.300 -0.410 0.000 4.397 491 C HA -0.175 4.285 4.460 -0.000 0.000 0.291 491 C C 1.353 176.212 174.990 -0.218 0.000 1.408 491 C CA 0.991 59.766 59.018 -0.406 0.000 1.971 491 C CB -3.036 24.344 27.740 -0.601 0.000 1.258 491 C HN 0.991 nan 8.230 nan 0.000 0.795 492 V N -3.974 115.869 119.914 -0.119 0.000 3.477 492 V HA 0.256 4.376 4.120 -0.000 0.000 0.297 492 V C 0.643 176.674 176.094 -0.105 0.000 1.433 492 V CA 0.425 62.688 62.300 -0.063 0.000 1.052 492 V CB -0.065 31.809 31.823 0.085 0.000 0.895 492 V HN 0.653 nan 8.190 nan 0.000 0.438 493 Q N 0.555 120.208 119.800 -0.246 0.000 2.230 493 Q HA 0.629 4.969 4.340 -0.000 0.000 0.253 493 Q C -0.031 175.801 176.000 -0.281 0.000 0.919 493 Q CA -0.355 55.157 55.803 -0.484 0.000 0.908 493 Q CB 2.493 30.938 28.738 -0.487 0.000 1.245 493 Q HN 0.407 nan 8.270 nan 0.000 0.437 494 L N 0.890 121.959 121.223 -0.258 0.000 2.766 494 L HA 0.342 4.682 4.340 -0.000 0.000 0.242 494 L C 0.401 177.278 176.870 0.013 0.000 1.136 494 L CA -0.273 54.536 54.840 -0.051 0.000 0.933 494 L CB 0.656 42.732 42.059 0.029 0.000 1.241 494 L HN 0.554 nan 8.230 nan 0.000 0.522 495 A N 1.243 123.980 122.820 -0.138 0.000 2.440 495 A HA 0.546 4.866 4.320 -0.000 0.000 0.251 495 A C -0.528 177.086 177.584 0.050 0.000 1.089 495 A CA 0.095 52.035 52.037 -0.161 0.000 0.779 495 A CB -0.112 18.719 19.000 -0.282 0.000 1.022 495 A HN 0.289 nan 8.150 nan 0.000 0.492 496 F N -0.769 119.149 119.950 -0.055 0.000 2.713 496 F HA 0.562 5.089 4.527 -0.000 0.000 0.311 496 F C -0.605 175.194 175.800 -0.002 0.000 1.141 496 F CA -1.200 56.782 58.000 -0.031 0.000 0.939 496 F CB 1.148 40.132 39.000 -0.027 0.000 1.325 496 F HN 0.375 nan 8.300 nan 0.000 0.453 497 E N 2.322 122.623 120.200 0.170 0.000 2.104 497 E HA 0.063 4.413 4.350 -0.000 0.000 0.278 497 E C -0.739 175.974 176.600 0.188 0.000 1.127 497 E CA -0.169 56.283 56.400 0.087 0.000 0.897 497 E CB 0.489 30.239 29.700 0.082 0.000 1.043 497 E HN 0.523 nan 8.360 nan 0.000 0.410 498 N N 3.827 122.547 118.700 0.033 0.000 2.431 498 N HA -0.015 4.725 4.740 -0.000 0.000 0.265 498 N C 1.251 176.827 175.510 0.110 0.000 1.184 498 N CA -0.052 53.075 53.050 0.130 0.000 0.943 498 N CB 0.493 38.968 38.487 -0.021 0.000 1.080 498 N HN 0.514 nan 8.380 nan 0.000 0.477 499 I N 0.882 121.533 120.570 0.136 0.000 2.916 499 I HA -0.104 4.066 4.170 -0.000 0.000 0.267 499 I C 0.192 176.342 176.117 0.055 0.000 1.263 499 I CA 1.105 62.452 61.300 0.080 0.000 1.471 499 I CB -0.147 37.894 38.000 0.068 0.000 1.089 499 I HN 0.341 nan 8.210 nan 0.000 0.468 500 N N 0.140 118.875 118.700 0.059 0.000 2.205 500 N HA 0.140 4.880 4.740 -0.000 0.000 0.201 500 N C -0.491 175.036 175.510 0.028 0.000 1.128 500 N CA -0.081 52.992 53.050 0.039 0.000 0.867 500 N CB 0.759 39.271 38.487 0.042 0.000 0.996 500 N HN 0.115 nan 8.380 nan 0.000 0.503 501 S N -0.493 115.221 115.700 0.024 0.000 2.461 501 S HA 0.176 4.646 4.470 -0.000 0.000 0.216 501 S C 0.298 174.900 174.600 0.003 0.000 1.201 501 S CA -0.622 57.584 58.200 0.010 0.000 1.171 501 S CB 1.254 64.454 63.200 0.000 0.000 1.169 501 S HN 0.045 nan 8.310 nan 0.000 0.456 502 S N 2.130 117.832 115.700 0.003 0.000 2.402 502 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 502 S C 1.692 176.288 174.600 -0.008 0.000 1.021 502 S CA 1.137 59.335 58.200 -0.004 0.000 0.974 502 S CB -0.148 63.046 63.200 -0.011 0.000 0.800 502 S HN 0.704 nan 8.310 nan 0.000 0.484 503 E N 1.466 121.667 120.200 0.001 0.000 2.130 503 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 503 E C 2.025 178.677 176.600 0.088 0.000 0.998 503 E CA 1.361 57.774 56.400 0.021 0.000 0.806 503 E CB -0.631 29.107 29.700 0.063 0.000 0.738 503 E HN 0.619 nan 8.360 nan 0.000 0.459 504 V N -1.681 118.266 119.914 0.055 0.000 3.573 504 V HA 0.022 4.142 4.120 -0.000 0.000 0.270 504 V C 0.397 176.514 176.094 0.038 0.000 1.221 504 V CA 0.314 62.636 62.300 0.037 0.000 1.163 504 V CB -0.686 31.121 31.823 -0.027 0.000 0.847 504 V HN 0.307 nan 8.190 nan 0.000 0.468 505 N N 1.283 120.006 118.700 0.039 0.000 2.725 505 N HA -0.213 4.527 4.740 -0.000 0.000 0.251 505 N C 1.068 176.672 175.510 0.155 0.000 1.031 505 N CA 0.918 54.011 53.050 0.072 0.000 0.720 505 N CB -1.338 37.187 38.487 0.064 0.000 0.930 505 N HN 1.312 nan 8.380 nan 0.000 0.543 506 G N -0.984 107.857 108.800 0.068 0.000 2.179 506 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.257 506 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.257 506 G C 0.418 175.313 174.900 -0.008 0.000 1.010 506 G CA 0.635 45.741 45.100 0.009 0.000 0.736 506 G HN 0.566 nan 8.290 nan 0.000 0.513 507 Y N 0.240 120.430 120.300 -0.182 0.000 2.544 507 Y HA 0.338 4.888 4.550 -0.000 0.000 0.286 507 Y C 2.335 178.018 175.900 -0.361 0.000 1.141 507 Y CA 1.270 59.258 58.100 -0.187 0.000 1.299 507 Y CB 0.141 38.544 38.460 -0.094 0.000 1.030 507 Y HN 1.029 nan 8.280 nan 0.000 0.543 508 G N -0.466 108.004 108.800 -0.549 0.000 3.138 508 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.247 508 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.247 508 G C -0.465 173.920 174.900 -0.857 0.000 1.642 508 G CA -0.363 43.877 45.100 -1.433 0.000 1.087 508 G HN -0.056 nan 8.290 nan 0.000 0.558 509 V N 2.918 122.591 119.914 -0.401 0.000 2.585 509 V HA 0.373 4.493 4.120 -0.000 0.000 0.296 509 V C 0.345 176.203 176.094 -0.394 0.000 1.035 509 V CA 0.799 62.954 62.300 -0.242 0.000 1.084 509 V CB 1.526 33.226 31.823 -0.206 0.000 0.953 509 V HN 0.627 nan 8.190 nan 0.000 0.483 510 D N 3.215 123.482 120.400 -0.222 0.000 2.468 510 D HA 0.176 4.816 4.640 -0.000 0.000 0.218 510 D C 1.011 177.248 176.300 -0.106 0.000 1.155 510 D CA -0.145 53.765 54.000 -0.150 0.000 0.924 510 D CB 0.298 41.068 40.800 -0.050 0.000 1.029 510 D HN 0.641 nan 8.370 nan 0.000 0.515 511 H N 1.199 120.288 119.070 0.031 0.000 2.457 511 H HA -0.072 4.484 4.556 -0.000 0.000 0.294 511 H C 2.027 177.380 175.328 0.041 0.000 1.064 511 H CA 0.825 56.909 56.048 0.060 0.000 1.330 511 H CB 0.588 30.331 29.762 -0.033 0.000 1.395 511 H HN 0.228 nan 8.280 nan 0.000 0.541 512 V N 0.926 120.895 119.914 0.093 0.000 2.307 512 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 512 V C 2.105 178.227 176.094 0.047 0.000 1.045 512 V CA 1.759 64.087 62.300 0.048 0.000 1.024 512 V CB -0.275 31.554 31.823 0.009 0.000 0.651 512 V HN 0.378 nan 8.190 nan 0.000 0.449 513 K N -0.380 120.043 120.400 0.039 0.000 2.097 513 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 513 K C 2.062 178.691 176.600 0.050 0.000 1.049 513 K CA 1.301 57.609 56.287 0.034 0.000 0.933 513 K CB -0.333 32.182 32.500 0.025 0.000 0.717 513 K HN 0.323 nan 8.250 nan 0.000 0.442 514 V N 1.296 121.255 119.914 0.077 0.000 2.295 514 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 514 V C 2.338 178.492 176.094 0.100 0.000 1.049 514 V CA 2.086 64.444 62.300 0.096 0.000 1.024 514 V CB -0.645 31.267 31.823 0.148 0.000 0.648 514 V HN 0.357 nan 8.190 nan 0.000 0.447 515 A N -0.490 122.409 122.820 0.131 0.000 1.902 515 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 515 A C 2.178 179.793 177.584 0.053 0.000 1.181 515 A CA 1.896 54.002 52.037 0.116 0.000 0.623 515 A CB -0.454 18.632 19.000 0.143 0.000 0.818 515 A HN 0.624 nan 8.150 nan 0.000 0.443 516 E N -0.756 119.464 120.200 0.034 0.000 2.072 516 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 516 E C 2.149 178.750 176.600 0.002 0.000 0.985 516 E CA 0.704 57.104 56.400 0.001 0.000 0.801 516 E CB -0.366 29.329 29.700 -0.008 0.000 0.750 516 E HN 0.605 nan 8.360 nan 0.000 0.452 517 G N 1.136 109.946 108.800 0.016 0.000 2.442 517 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 517 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 517 G C 1.447 176.356 174.900 0.015 0.000 1.141 517 G CA 0.452 45.561 45.100 0.015 0.000 0.763 517 G HN 0.120 nan 8.290 nan 0.000 0.554 518 L N 0.307 121.544 121.223 0.023 0.000 2.610 518 L HA 0.255 4.595 4.340 -0.000 0.000 0.232 518 L C 1.991 178.871 176.870 0.018 0.000 1.149 518 L CA 0.524 55.378 54.840 0.023 0.000 0.872 518 L CB 0.084 42.161 42.059 0.031 0.000 0.992 518 L HN 0.395 nan 8.230 nan 0.000 0.447 519 G N -1.548 107.254 108.800 0.004 0.000 2.144 519 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 519 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 519 G C 0.147 175.034 174.900 -0.021 0.000 0.988 519 G CA -0.152 44.942 45.100 -0.010 0.000 0.659 519 G HN 0.301 nan 8.290 nan 0.000 0.522 520 C N 0.301 119.592 119.300 -0.015 0.000 2.451 520 C HA 0.890 5.350 4.460 -0.000 0.000 0.391 520 C C 0.470 175.425 174.990 -0.058 0.000 1.286 520 C CA -0.991 58.014 59.018 -0.021 0.000 1.935 520 C CB 1.715 29.464 27.740 0.015 0.000 2.188 520 C HN 0.371 nan 8.230 nan 0.000 0.523 521 K N 0.683 121.049 120.400 -0.056 0.000 2.156 521 K HA 0.811 5.131 4.320 -0.000 0.000 0.250 521 K C -0.667 175.924 176.600 -0.016 0.000 0.955 521 K CA -0.021 56.230 56.287 -0.062 0.000 0.855 521 K CB 1.767 34.228 32.500 -0.064 0.000 1.101 521 K HN 0.875 nan 8.250 nan 0.000 0.434 522 A N 2.442 125.253 122.820 -0.014 0.000 2.547 522 A HA 0.709 5.029 4.320 -0.000 0.000 0.297 522 A C -1.183 176.390 177.584 -0.018 0.000 1.056 522 A CA -0.712 51.320 52.037 -0.008 0.000 0.688 522 A CB 0.928 19.931 19.000 0.005 0.000 1.282 522 A HN 0.598 nan 8.150 nan 0.000 0.400 523 I N 1.060 121.609 120.570 -0.035 0.000 2.545 523 I HA 0.573 4.743 4.170 -0.000 0.000 0.292 523 I C 0.004 176.059 176.117 -0.103 0.000 1.040 523 I CA -0.590 60.678 61.300 -0.054 0.000 1.068 523 I CB 2.289 40.258 38.000 -0.052 0.000 1.251 523 I HN 0.786 nan 8.210 nan 0.000 0.424 524 R N 4.846 125.275 120.500 -0.118 0.000 2.460 524 R HA 0.785 5.125 4.340 -0.000 0.000 0.303 524 R C -1.815 174.334 176.300 -0.253 0.000 0.968 524 R CA -0.448 55.519 56.100 -0.223 0.000 0.889 524 R CB 1.733 31.891 30.300 -0.238 0.000 1.123 524 R HN 0.471 nan 8.270 nan 0.000 0.455 525 V N 5.915 125.609 119.914 -0.367 0.000 2.487 525 V HA 0.356 4.476 4.120 -0.000 0.000 0.298 525 V C -0.402 175.442 176.094 -0.416 0.000 1.028 525 V CA -0.412 61.719 62.300 -0.283 0.000 0.860 525 V CB 1.584 33.266 31.823 -0.234 0.000 0.991 525 V HN 0.843 nan 8.190 nan 0.000 0.427 526 F N 1.899 121.786 119.950 -0.105 0.000 2.678 526 F HA 0.361 4.888 4.527 -0.000 0.000 0.291 526 F C 1.141 176.892 175.800 -0.082 0.000 1.123 526 F CA 0.096 58.034 58.000 -0.104 0.000 1.395 526 F CB 0.559 39.499 39.000 -0.100 0.000 1.121 526 F HN 0.266 nan 8.300 nan 0.000 0.592 527 K N 0.313 120.765 120.400 0.086 0.000 2.316 527 K HA 0.285 4.605 4.320 -0.000 0.000 0.251 527 K C -2.061 174.532 176.600 -0.011 0.000 0.934 527 K CA -1.813 54.497 56.287 0.037 0.000 0.802 527 K CB 1.894 34.416 32.500 0.038 0.000 1.171 527 K HN -0.327 nan 8.250 nan 0.000 0.426 528 P HA -0.228 nan 4.420 nan 0.000 0.217 528 P C 0.885 178.169 177.300 -0.027 0.000 1.150 528 P CA 1.220 64.303 63.100 -0.027 0.000 0.832 528 P CB 0.227 31.912 31.700 -0.025 0.000 0.787 529 E N -0.274 119.917 120.200 -0.016 0.000 2.347 529 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 529 E C 0.548 177.135 176.600 -0.021 0.000 1.008 529 E CA 1.072 57.468 56.400 -0.007 0.000 0.852 529 E CB -0.927 28.775 29.700 0.004 0.000 0.783 529 E HN 0.226 nan 8.360 nan 0.000 0.505 530 D N 0.710 121.087 120.400 -0.039 0.000 2.340 530 D HA 0.144 4.784 4.640 -0.000 0.000 0.220 530 D C 1.846 178.067 176.300 -0.132 0.000 1.039 530 D CA 0.094 54.057 54.000 -0.061 0.000 0.866 530 D CB 0.043 40.818 40.800 -0.043 0.000 0.913 530 D HN 0.304 nan 8.370 nan 0.000 0.523 531 I N 0.823 121.300 120.570 -0.155 0.000 2.233 531 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 531 I C 2.468 178.378 176.117 -0.346 0.000 1.093 531 I CA 0.792 61.905 61.300 -0.312 0.000 1.380 531 I CB -0.188 37.690 38.000 -0.203 0.000 1.067 531 I HN -0.069 nan 8.210 nan 0.000 0.413 532 A N 1.585 124.351 122.820 -0.090 0.000 1.865 532 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 532 A C 0.083 177.664 177.584 -0.004 0.000 1.191 532 A CA 1.873 53.928 52.037 0.030 0.000 0.623 532 A CB -2.062 16.969 19.000 0.051 0.000 0.826 532 A HN 0.270 nan 8.150 nan 0.000 0.444 533 P HA -0.104 nan 4.420 nan 0.000 0.218 533 P C 1.629 178.906 177.300 -0.039 0.000 1.148 533 P CA 1.815 64.903 63.100 -0.020 0.000 0.822 533 P CB -0.138 31.549 31.700 -0.022 0.000 0.784 534 A N -1.133 121.608 122.820 -0.132 0.000 1.902 534 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 534 A C 1.903 179.442 177.584 -0.075 0.000 1.181 534 A CA 1.413 53.353 52.037 -0.162 0.000 0.623 534 A CB -1.730 17.084 19.000 -0.310 0.000 0.818 534 A HN 0.049 nan 8.150 nan 0.000 0.443 535 F N 0.585 120.533 119.950 -0.003 0.000 2.171 535 F HA -0.094 4.433 4.527 -0.000 0.000 0.300 535 F C 2.466 178.272 175.800 0.009 0.000 1.090 535 F CA 1.244 59.241 58.000 -0.005 0.000 1.293 535 F CB -0.506 38.389 39.000 -0.174 0.000 1.013 535 F HN 0.218 nan 8.300 nan 0.000 0.486 536 E N 0.249 120.547 120.200 0.163 0.000 2.047 536 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 536 E C 2.170 178.831 176.600 0.101 0.000 0.987 536 E CA 1.029 57.493 56.400 0.106 0.000 0.799 536 E CB -0.648 29.090 29.700 0.063 0.000 0.752 536 E HN 0.528 nan 8.360 nan 0.000 0.449 537 Q N 0.450 120.300 119.800 0.082 0.000 2.096 537 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 537 Q C 2.188 178.253 176.000 0.108 0.000 0.982 537 Q CA 1.732 57.581 55.803 0.077 0.000 0.850 537 Q CB -0.264 28.503 28.738 0.048 0.000 0.901 537 Q HN 0.258 nan 8.270 nan 0.000 0.422 538 A N 1.344 124.248 122.820 0.140 0.000 1.908 538 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 538 A C 1.920 179.608 177.584 0.174 0.000 1.181 538 A CA 1.742 53.881 52.037 0.171 0.000 0.627 538 A CB -0.356 18.797 19.000 0.254 0.000 0.818 538 A HN 0.200 nan 8.150 nan 0.000 0.445 539 K N -0.215 120.298 120.400 0.189 0.000 2.103 539 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 539 K C 2.259 178.931 176.600 0.119 0.000 1.048 539 K CA 1.225 57.611 56.287 0.164 0.000 0.930 539 K CB -0.335 32.263 32.500 0.163 0.000 0.716 539 K HN 0.460 nan 8.250 nan 0.000 0.444 540 A N 1.368 124.251 122.820 0.105 0.000 1.873 540 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 540 A C 1.209 178.847 177.584 0.090 0.000 1.186 540 A CA 0.820 52.905 52.037 0.080 0.000 0.616 540 A CB -0.585 18.456 19.000 0.068 0.000 0.823 540 A HN 0.111 nan 8.150 nan 0.000 0.442 544 Q N -1.009 118.763 119.800 -0.047 0.000 2.165 544 Q HA 0.063 4.403 4.340 -0.000 0.000 0.197 544 Q C 1.590 177.469 176.000 -0.203 0.000 0.952 544 Q CA 1.628 57.322 55.803 -0.182 0.000 0.848 544 Q CB -0.323 28.211 28.738 -0.340 0.000 0.931 544 Q HN 0.683 nan 8.270 nan 0.000 0.470 545 Y N 0.152 120.474 120.300 0.036 0.000 2.503 545 Y HA 0.268 4.818 4.550 -0.000 0.000 0.278 545 Y C 0.184 176.109 175.900 0.041 0.000 1.111 545 Y CA -0.247 57.874 58.100 0.035 0.000 1.270 545 Y CB 0.795 39.275 38.460 0.033 0.000 1.063 545 Y HN -0.018 nan 8.280 nan 0.000 0.548 546 R N 0.158 120.765 120.500 0.180 0.000 3.423 546 R HA -0.125 4.215 4.340 -0.000 0.000 0.271 546 R C -0.973 175.411 176.300 0.139 0.000 1.093 546 R CA 0.783 56.963 56.100 0.134 0.000 0.730 546 R CB -2.713 27.651 30.300 0.107 0.000 1.190 546 R HN 0.284 nan 8.270 nan 0.000 0.437 547 V N -4.440 115.556 119.914 0.137 0.000 3.130 547 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 547 V C -2.463 173.664 176.094 0.056 0.000 1.158 547 V CA -2.776 59.586 62.300 0.104 0.000 1.029 547 V CB 2.573 34.444 31.823 0.080 0.000 1.057 547 V HN -0.160 nan 8.190 nan 0.000 0.436 548 P HA 0.270 nan 4.420 nan 0.000 0.265 548 P C -0.795 176.433 177.300 -0.120 0.000 1.193 548 P CA 0.190 63.186 63.100 -0.173 0.000 0.765 548 P CB 0.610 32.213 31.700 -0.162 0.000 0.823 549 V N 4.530 124.351 119.914 -0.155 0.000 2.407 549 V HA 0.217 4.337 4.120 -0.000 0.000 0.291 549 V C 0.080 176.162 176.094 -0.020 0.000 1.018 549 V CA -0.716 61.561 62.300 -0.039 0.000 0.842 549 V CB 2.021 33.864 31.823 0.033 0.000 0.996 549 V HN 0.204 nan 8.190 nan 0.000 0.426 550 V N 5.595 125.515 119.914 0.010 0.000 2.432 550 V HA 0.379 4.499 4.120 -0.000 0.000 0.275 550 V C 0.033 176.128 176.094 0.001 0.000 1.043 550 V CA -0.475 61.837 62.300 0.020 0.000 0.925 550 V CB 1.733 33.557 31.823 0.001 0.000 0.985 550 V HN 0.611 nan 8.190 nan 0.000 0.466 551 V N 4.853 124.783 119.914 0.028 0.000 2.293 551 V HA 0.308 4.428 4.120 -0.000 0.000 0.275 551 V C 0.214 176.252 176.094 -0.093 0.000 1.021 551 V CA -0.481 61.809 62.300 -0.016 0.000 0.815 551 V CB 1.202 33.061 31.823 0.060 0.000 1.025 551 V HN 0.954 nan 8.190 nan 0.000 0.448 552 E N 4.096 124.197 120.200 -0.165 0.000 2.229 552 E HA 0.472 4.822 4.350 -0.000 0.000 0.283 552 E C -1.213 175.244 176.600 -0.238 0.000 1.030 552 E CA -0.388 55.881 56.400 -0.219 0.000 0.836 552 E CB 1.559 31.128 29.700 -0.217 0.000 1.068 552 E HN 0.475 nan 8.360 nan 0.000 0.401 553 V N 6.304 126.092 119.914 -0.209 0.000 2.384 553 V HA 0.219 4.339 4.120 -0.000 0.000 0.287 553 V C 0.029 175.993 176.094 -0.217 0.000 1.020 553 V CA -0.887 61.279 62.300 -0.223 0.000 0.850 553 V CB 1.338 33.066 31.823 -0.158 0.000 0.987 553 V HN 0.668 nan 8.190 nan 0.000 0.436 554 I N 6.351 126.728 120.570 -0.322 0.000 2.347 554 I HA 0.242 4.412 4.170 -0.000 0.000 0.294 554 I C 0.254 176.308 176.117 -0.104 0.000 1.090 554 I CA 0.294 61.417 61.300 -0.294 0.000 1.314 554 I CB 0.243 37.909 38.000 -0.558 0.000 1.423 554 I HN 0.421 nan 8.210 nan 0.000 0.503 555 L N 5.692 126.934 121.223 0.031 0.000 2.439 555 L HA 0.302 4.642 4.340 -0.000 0.000 0.259 555 L C 1.021 177.986 176.870 0.159 0.000 1.129 555 L CA -0.854 54.026 54.840 0.067 0.000 0.803 555 L CB 0.614 42.712 42.059 0.065 0.000 1.161 555 L HN 0.601 nan 8.230 nan 0.000 0.462 556 E N 1.227 121.482 120.200 0.092 0.000 2.415 556 E HA 0.031 4.381 4.350 -0.000 0.000 0.262 556 E C 0.299 176.964 176.600 0.108 0.000 1.038 556 E CA -0.582 55.880 56.400 0.104 0.000 0.921 556 E CB 0.783 30.499 29.700 0.026 0.000 0.950 556 E HN 0.406 nan 8.360 nan 0.000 0.438 557 R N 1.720 122.286 120.500 0.111 0.000 2.075 557 R HA 0.004 4.344 4.340 -0.000 0.000 0.232 557 R C 0.222 176.542 176.300 0.032 0.000 1.126 557 R CA 0.795 56.961 56.100 0.109 0.000 0.963 557 R CB -0.110 30.256 30.300 0.109 0.000 0.858 557 R HN 0.463 nan 8.270 nan 0.000 0.435 558 V N 1.657 121.544 119.914 -0.046 0.000 2.407 558 V HA 0.276 4.396 4.120 -0.000 0.000 0.291 558 V C -0.523 175.493 176.094 -0.129 0.000 1.018 558 V CA -0.459 61.744 62.300 -0.163 0.000 0.842 558 V CB 2.012 33.732 31.823 -0.172 0.000 0.996 558 V HN 0.097 nan 8.190 nan 0.000 0.426 559 T N 3.935 118.401 114.554 -0.148 0.000 2.928 559 T HA 0.386 4.736 4.350 -0.000 0.000 0.296 559 T C -0.436 174.168 174.700 -0.160 0.000 1.000 559 T CA -0.600 61.423 62.100 -0.128 0.000 0.989 559 T CB 1.077 69.892 68.868 -0.089 0.000 1.005 559 T HN 0.630 nan 8.240 nan 0.000 0.442 560 N N 2.988 121.570 118.700 -0.197 0.000 2.420 560 N HA 0.338 5.078 4.740 -0.000 0.000 0.249 560 N C -0.276 175.171 175.510 -0.105 0.000 1.033 560 N CA -0.700 52.147 53.050 -0.339 0.000 0.944 560 N CB 0.669 38.651 38.487 -0.841 0.000 1.113 560 N HN 0.405 nan 8.380 nan 0.000 0.502 561 I N 1.497 122.038 120.570 -0.048 0.000 2.581 561 I HA 0.128 4.298 4.170 -0.000 0.000 0.288 561 I C 1.203 177.435 176.117 0.192 0.000 1.047 561 I CA -0.090 61.255 61.300 0.075 0.000 1.374 561 I CB 1.099 39.121 38.000 0.038 0.000 1.423 561 I HN 0.450 nan 8.210 nan 0.000 0.549 565 S N -1.223 114.475 115.700 -0.003 0.000 2.535 565 S HA 0.387 4.857 4.470 -0.000 0.000 0.214 565 S C 0.280 174.876 174.600 -0.007 0.000 0.980 565 S CA 0.362 58.561 58.200 -0.003 0.000 0.907 565 S CB 0.287 63.486 63.200 -0.001 0.000 0.790 565 S HN 0.505 nan 8.310 nan 0.000 0.510 566 E N 0.301 120.494 120.200 -0.012 0.000 2.408 566 E HA 0.406 4.756 4.350 -0.000 0.000 0.275 566 E C 0.463 177.052 176.600 -0.018 0.000 0.935 566 E CA -0.628 55.767 56.400 -0.008 0.000 0.775 566 E CB 1.395 31.092 29.700 -0.004 0.000 1.277 566 E HN 0.062 nan 8.360 nan 0.000 0.455 567 L N 0.515 121.732 121.223 -0.010 0.000 2.079 567 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 567 L C 1.388 178.240 176.870 -0.030 0.000 1.081 567 L CA 1.706 56.531 54.840 -0.025 0.000 0.752 567 L CB -0.444 41.609 42.059 -0.011 0.000 0.896 567 L HN 0.502 nan 8.230 nan 0.000 0.433 568 D N -2.349 118.038 120.400 -0.021 0.000 2.319 568 D HA -0.095 4.545 4.640 -0.000 0.000 0.230 568 D C 0.969 177.252 176.300 -0.028 0.000 1.094 568 D CA 0.208 54.194 54.000 -0.023 0.000 0.856 568 D CB -0.233 40.557 40.800 -0.016 0.000 0.915 568 D HN 0.158 nan 8.370 nan 0.000 0.517 569 N N -0.326 118.354 118.700 -0.033 0.000 2.167 569 N HA 0.074 4.814 4.740 -0.000 0.000 0.234 569 N C -0.589 174.892 175.510 -0.049 0.000 1.312 569 N CA -0.159 52.868 53.050 -0.038 0.000 0.861 569 N CB 0.827 39.297 38.487 -0.027 0.000 1.217 569 N HN -0.095 nan 8.380 nan 0.000 0.504 573 F N 0.474 120.436 119.950 0.019 0.000 2.274 573 F HA 0.077 4.604 4.527 -0.000 0.000 0.288 573 F C 1.467 177.285 175.800 0.029 0.000 1.069 573 F CA 0.503 58.512 58.000 0.015 0.000 1.343 573 F CB 0.427 39.426 39.000 -0.001 0.000 1.089 573 F HN 0.109 nan 8.300 nan 0.000 0.517 574 E N 0.932 121.280 120.200 0.246 0.000 2.342 574 E HA 0.053 4.403 4.350 -0.000 0.000 0.257 574 E C -0.707 176.009 176.600 0.194 0.000 1.150 574 E CA -0.320 56.190 56.400 0.184 0.000 0.926 574 E CB 0.287 30.081 29.700 0.157 0.000 1.074 574 E HN 0.017 nan 8.360 nan 0.000 0.449 575 D N 1.337 121.896 120.400 0.265 0.000 2.493 575 D HA 0.052 4.692 4.640 -0.000 0.000 0.240 575 D C 0.590 177.002 176.300 0.188 0.000 1.142 575 D CA 0.264 54.401 54.000 0.227 0.000 0.872 575 D CB 0.171 41.135 40.800 0.273 0.000 1.173 575 D HN 0.285 nan 8.370 nan 0.000 0.467 576 I N -1.150 119.492 120.570 0.121 0.000 3.276 576 I HA 0.632 4.802 4.170 -0.000 0.000 0.306 576 I C 0.029 176.200 176.117 0.090 0.000 1.060 576 I CA -0.842 60.520 61.300 0.102 0.000 1.133 576 I CB 0.889 38.932 38.000 0.071 0.000 1.473 576 I HN 0.280 nan 8.210 nan 0.000 0.649 577 A N 1.614 124.489 122.820 0.092 0.000 2.574 577 A HA 0.548 4.868 4.320 -0.000 0.000 0.297 577 A C -0.971 176.667 177.584 0.091 0.000 1.062 577 A CA -0.343 51.741 52.037 0.079 0.000 0.686 577 A CB 1.413 20.465 19.000 0.086 0.000 1.285 577 A HN 0.862 nan 8.150 nan 0.000 0.403 578 D N -0.017 120.423 120.400 0.067 0.000 2.503 578 D HA 0.165 4.805 4.640 -0.000 0.000 0.218 578 D C -0.170 176.166 176.300 0.061 0.000 1.183 578 D CA 0.059 54.103 54.000 0.073 0.000 0.827 578 D CB 0.053 40.882 40.800 0.048 0.000 1.034 578 D HN 0.463 nan 8.370 nan 0.000 0.510 579 N N -0.646 118.068 118.700 0.023 0.000 2.732 579 N HA 0.450 5.190 4.740 -0.000 0.000 0.259 579 N C 0.360 175.738 175.510 -0.219 0.000 1.402 579 N CA -0.438 52.548 53.050 -0.106 0.000 0.829 579 N CB 1.226 39.641 38.487 -0.120 0.000 1.495 579 N HN -0.122 nan 8.380 nan 0.000 0.511 580 A N -0.034 122.419 122.820 -0.611 0.000 2.014 580 A HA 0.272 4.592 4.320 -0.000 0.000 0.218 580 A C 1.989 179.398 177.584 -0.293 0.000 1.163 580 A CA 1.601 53.210 52.037 -0.713 0.000 0.652 580 A CB -1.107 17.083 19.000 -1.350 0.000 0.808 580 A HN 0.898 nan 8.150 nan 0.000 0.449 581 A N 0.357 123.028 122.820 -0.249 0.000 1.917 581 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 581 A C 1.706 179.196 177.584 -0.157 0.000 1.182 581 A CA 2.007 53.926 52.037 -0.196 0.000 0.633 581 A CB -0.442 18.465 19.000 -0.154 0.000 0.819 581 A HN 0.448 nan 8.150 nan 0.000 0.448 582 D N -0.961 119.383 120.400 -0.094 0.000 2.249 582 D HA 0.240 4.880 4.640 -0.000 0.000 0.205 582 D C 0.788 177.103 176.300 0.024 0.000 0.962 582 D CA 1.254 55.225 54.000 -0.049 0.000 0.860 582 D CB 0.081 40.851 40.800 -0.050 0.000 0.955 582 D HN 0.370 nan 8.370 nan 0.000 0.505 583 A N 1.193 124.053 122.820 0.067 0.000 3.258 583 A HA 0.325 4.645 4.320 -0.000 0.000 0.318 583 A C -1.921 175.808 177.584 0.241 0.000 0.990 583 A CA -0.860 51.286 52.037 0.183 0.000 0.885 583 A CB 0.828 19.974 19.000 0.244 0.000 1.090 583 A HN -0.128 nan 8.150 nan 0.000 0.479 584 P HA -0.074 nan 4.420 nan 0.000 0.233 584 P C 1.026 178.475 177.300 0.249 0.000 1.167 584 P CA 1.518 64.701 63.100 0.138 0.000 0.770 584 P CB -0.054 31.653 31.700 0.011 0.000 0.837 585 T N -4.358 110.380 114.554 0.305 0.000 3.134 585 T HA 0.146 4.496 4.350 -0.000 0.000 0.260 585 T C 0.546 175.529 174.700 0.472 0.000 1.027 585 T CA -0.369 61.945 62.100 0.357 0.000 0.913 585 T CB -0.319 68.779 68.868 0.384 0.000 1.046 585 T HN -0.087 nan 8.240 nan 0.000 0.553 586 E N 2.519 122.946 120.200 0.379 0.000 2.413 586 E HA 0.059 4.409 4.350 -0.000 0.000 0.263 586 E C 1.456 178.061 176.600 0.008 0.000 1.015 586 E CA 0.412 56.906 56.400 0.156 0.000 0.916 586 E CB 1.283 30.946 29.700 -0.062 0.000 0.947 586 E HN 0.547 nan 8.360 nan 0.000 0.440 587 T N -1.436 113.008 114.554 -0.183 0.000 2.881 587 T HA -0.172 4.178 4.350 -0.000 0.000 0.270 587 T C 1.954 176.612 174.700 -0.069 0.000 1.068 587 T CA 1.263 63.347 62.100 -0.027 0.000 1.131 587 T CB -0.625 68.144 68.868 -0.165 0.000 0.871 587 T HN 0.683 nan 8.240 nan 0.000 0.479 588 C N -0.199 118.920 119.300 -0.302 0.000 2.481 588 C HA 0.423 4.883 4.460 -0.000 0.000 0.275 588 C C 1.177 176.055 174.990 -0.186 0.000 1.419 588 C CA -1.414 57.408 59.018 -0.326 0.000 1.773 588 C CB -1.799 25.638 27.740 -0.505 0.000 1.862 588 C HN 0.445 nan 8.230 nan 0.000 0.530 592 Y N 4.112 123.984 120.300 -0.714 0.000 2.353 592 Y HA 0.357 4.907 4.550 -0.000 0.000 0.340 592 Y C 0.854 176.299 175.900 -0.759 0.000 0.972 592 Y CA 0.270 57.983 58.100 -0.645 0.000 1.157 592 Y CB 0.775 38.730 38.460 -0.841 0.000 1.157 592 Y HN 0.852 nan 8.280 nan 0.000 0.495 593 E N 0.000 120.003 120.200 -0.328 0.000 2.725 593 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 593 E CA 0.000 56.300 56.400 -0.168 0.000 0.976 593 E CB 0.000 29.623 29.700 -0.129 0.000 0.812 593 E HN 0.000 nan 8.360 nan 0.000 0.440