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 2b3y_1_B DATA FIRST_RESID 2 DATA SEQUENCE SNPFAHLAEP LDPVQPGKKF FNLNKLEDSR YGRLPFSIRV LLEAAIRNCD DATA SEQUENCE EFLVKKQDIE NILHWNVTQH KNIEVPFKPA RVILQDFTGV PAVVDFAAMR DATA SEQUENCE DAVKKLGGDP EKINPVCPAD LVIDHSIQVD FNRRADSLQK NQDLEFERNR DATA SEQUENCE ERFEFLKWGS QAFHNMRIIP PGSGIIHQVN LEYLARVVFD QDGYYYPDSL DATA SEQUENCE VGTDSHTTMI DGLGILGWGV GGIEAEAVML GQPISMVLPQ VIGYRLMGKP DATA SEQUENCE HPLVTSTDIV LTITKHLRQV GVVGKFVEFF GPGVAQLSIA DRATIANMCP DATA SEQUENCE EYGATAAFFP VDEVSITYLV QTGRDEEKLK YIKKYLQAVG MFRDFNDPSQ DATA SEQUENCE DPDFTQVVEL DLKTVVPCCS GPKRPQDKVA VSDMKKDFES CLGAKQGFKG DATA SEQUENCE FQVAPEHHND HKTFIYDNTE FTLAHGSVVI AAITSCTNTS NPSVMLGAGL DATA SEQUENCE LAKKAVDAGL NVMPYIKTSL SPGSGVVTYY LQESGVMPYL SQLGFDVVGY DATA SEQUENCE GCMTCIGNSG PLPEPVVEAI TQGDLVAVGV LSGNRNFEGR VHPNTRANYL DATA SEQUENCE ASPPLVIAYA IAGTIRIDFE KEPLGVNAKG QQVFLKDIWP TRDEIQAVER DATA SEQUENCE QYVIPGMFKE VYQKIETVNE SWNALATPSD KLFFWNSKST YIKSPPFFEN DATA SEQUENCE LTLDLQPPKS IVDAYVLLNL GDSVTTDHIS PAGNIARNSP AARYLTNRGL DATA SEQUENCE TPREFNSYGS RRGNDAVMAR GTFANIRLLN RFLNKQAPQT IHLPSGEILD DATA SEQUENCE VFDAAERYQQ AGLPLIVLAG KEYGAGSSRD WAAKGPFLLG IKAVLAESYE DATA SEQUENCE RIHRSNLVGM GVIPLEYLPG ENADALGLTG QERYTIIIPE NLKPQMKVQV DATA SEQUENCE KLDTGKTFQA VMRFDTDVEL TYFLNGGILN YMIRKMAK 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.616 174.600 0.027 0.000 1.055 2 S CA 0.000 58.212 58.200 0.020 0.000 1.107 2 S CB 0.000 63.208 63.200 0.013 0.000 0.593 3 N N 3.007 121.738 118.700 0.051 0.000 2.408 3 N HA 0.322 5.065 4.740 0.005 0.000 0.257 3 N C -1.463 174.076 175.510 0.049 0.000 1.064 3 N CA -1.844 51.251 53.050 0.075 0.000 0.952 3 N CB 1.256 39.816 38.487 0.123 0.000 1.093 3 N HN 0.288 nan 8.380 nan 0.000 0.490 4 P HA -0.052 nan 4.420 nan 0.000 0.228 4 P C 0.237 177.335 177.300 -0.337 0.000 1.151 4 P CA 1.002 63.938 63.100 -0.272 0.000 0.770 4 P CB -0.011 31.386 31.700 -0.506 0.000 0.786 5 F N -0.788 119.239 119.950 0.128 0.000 2.641 5 F HA 0.417 4.947 4.527 0.005 0.000 0.302 5 F C 2.228 178.109 175.800 0.135 0.000 1.098 5 F CA -0.248 57.812 58.000 0.100 0.000 1.318 5 F CB -0.561 38.445 39.000 0.011 0.000 1.035 5 F HN -0.123 nan 8.300 nan 0.000 0.551 6 A N 0.455 123.464 122.820 0.314 0.000 1.978 6 A HA -0.288 4.036 4.320 0.005 0.000 0.220 6 A C 1.911 179.553 177.584 0.097 0.000 1.170 6 A CA 2.283 54.475 52.037 0.258 0.000 0.636 6 A CB -1.273 17.838 19.000 0.185 0.000 0.810 6 A HN 0.696 nan 8.150 nan 0.000 0.448 7 H N -1.179 117.946 119.070 0.091 0.000 2.489 7 H HA 0.079 4.638 4.556 0.005 0.000 0.293 7 H C 1.431 176.761 175.328 0.004 0.000 1.066 7 H CA 1.354 57.420 56.048 0.031 0.000 1.305 7 H CB -0.500 29.277 29.762 0.025 0.000 1.386 7 H HN 0.408 nan 8.280 nan 0.000 0.551 8 L N 0.353 121.290 121.223 -0.478 0.000 2.395 8 L HA 0.184 4.527 4.340 0.005 0.000 0.218 8 L C 1.341 177.990 176.870 -0.368 0.000 1.130 8 L CA 0.049 54.682 54.840 -0.344 0.000 0.826 8 L CB -0.287 41.651 42.059 -0.202 0.000 0.941 8 L HN 0.378 nan 8.230 nan 0.000 0.451 9 A N 1.769 124.308 122.820 -0.468 0.000 2.492 9 A HA 0.337 4.660 4.320 0.005 0.000 0.254 9 A C 0.126 177.491 177.584 -0.365 0.000 1.091 9 A CA 0.054 51.729 52.037 -0.604 0.000 0.768 9 A CB -0.132 18.499 19.000 -0.615 0.000 1.028 9 A HN 0.466 nan 8.150 nan 0.000 0.498 10 E N 2.443 122.420 120.200 -0.371 0.000 2.412 10 E HA 0.557 4.910 4.350 0.005 0.000 0.279 10 E C -3.177 173.417 176.600 -0.009 0.000 0.984 10 E CA -2.424 53.867 56.400 -0.181 0.000 0.788 10 E CB 1.571 31.182 29.700 -0.147 0.000 1.277 10 E HN 0.342 nan 8.360 nan 0.000 0.455 11 P HA -0.024 nan 4.420 nan 0.000 0.268 11 P C 0.330 177.815 177.300 0.308 0.000 1.205 11 P CA -0.354 62.831 63.100 0.141 0.000 0.771 11 P CB 1.041 32.779 31.700 0.062 0.000 0.858 12 L N 1.814 123.239 121.223 0.337 0.000 2.109 12 L HA 0.119 4.463 4.340 0.005 0.000 0.207 12 L C 0.446 177.380 176.870 0.107 0.000 1.086 12 L CA 2.005 56.960 54.840 0.193 0.000 0.760 12 L CB -0.367 41.714 42.059 0.037 0.000 0.910 12 L HN 0.314 nan 8.230 nan 0.000 0.437 13 D N -2.184 118.281 120.400 0.108 0.000 2.736 13 D HA 0.281 4.924 4.640 0.005 0.000 0.243 13 D C -2.140 174.195 176.300 0.059 0.000 1.304 13 D CA -1.991 52.048 54.000 0.066 0.000 0.934 13 D CB 1.952 42.783 40.800 0.052 0.000 1.382 13 D HN -0.194 nan 8.370 nan 0.000 0.571 14 P HA -0.137 nan 4.420 nan 0.000 0.222 14 P C 1.350 178.665 177.300 0.024 0.000 1.142 14 P CA 0.410 63.530 63.100 0.033 0.000 0.788 14 P CB 0.506 32.223 31.700 0.028 0.000 0.767 15 V N -1.219 118.711 119.914 0.026 0.000 2.719 15 V HA -0.068 4.055 4.120 0.005 0.000 0.252 15 V C 1.208 177.315 176.094 0.022 0.000 1.065 15 V CA 1.413 63.726 62.300 0.021 0.000 1.086 15 V CB -0.419 31.417 31.823 0.021 0.000 0.700 15 V HN 0.101 nan 8.190 nan 0.000 0.467 16 Q N -0.130 119.688 119.800 0.030 0.000 3.122 16 Q HA 0.280 4.623 4.340 0.005 0.000 0.282 16 Q C -1.854 174.154 176.000 0.014 0.000 0.947 16 Q CA -1.496 54.322 55.803 0.025 0.000 0.812 16 Q CB 1.610 30.376 28.738 0.047 0.000 1.333 16 Q HN 0.341 nan 8.270 nan 0.000 0.430 17 P HA -0.107 nan 4.420 nan 0.000 0.221 17 P C 0.868 178.140 177.300 -0.046 0.000 1.145 17 P CA 1.181 64.274 63.100 -0.011 0.000 0.795 17 P CB 0.269 31.961 31.700 -0.013 0.000 0.775 18 G N -0.798 107.963 108.800 -0.065 0.000 2.880 18 G HA2 -0.046 3.917 3.960 0.005 0.000 0.209 18 G HA3 -0.046 3.917 3.960 0.005 0.000 0.209 18 G C 0.579 175.365 174.900 -0.189 0.000 1.157 18 G CA 0.085 45.116 45.100 -0.114 0.000 0.779 18 G HN 0.099 nan 8.290 nan 0.000 0.539 19 K N 1.501 121.804 120.400 -0.161 0.000 2.266 19 K HA 0.486 4.809 4.320 0.005 0.000 0.274 19 K C -0.035 176.478 176.600 -0.145 0.000 1.090 19 K CA -0.159 55.962 56.287 -0.278 0.000 0.925 19 K CB 1.015 33.396 32.500 -0.199 0.000 1.225 19 K HN 0.169 nan 8.250 nan 0.000 0.458 20 K N 1.750 121.969 120.400 -0.301 0.000 2.258 20 K HA 0.648 4.971 4.320 0.005 0.000 0.236 20 K C -0.454 176.240 176.600 0.156 0.000 1.008 20 K CA -0.939 55.271 56.287 -0.129 0.000 0.869 20 K CB 1.337 33.547 32.500 -0.482 0.000 1.171 20 K HN 0.437 nan 8.250 nan 0.000 0.447 21 F N -1.768 118.203 119.950 0.035 0.000 2.645 21 F HA 0.516 5.046 4.527 0.005 0.000 0.310 21 F C -1.314 174.575 175.800 0.148 0.000 1.102 21 F CA -1.434 56.731 58.000 0.275 0.000 0.952 21 F CB 0.770 40.091 39.000 0.534 0.000 1.326 21 F HN 0.209 nan 8.300 nan 0.000 0.456 22 F N 2.495 122.563 119.950 0.195 0.000 2.466 22 F HA 0.203 4.733 4.527 0.005 0.000 0.363 22 F C 0.681 176.353 175.800 -0.212 0.000 1.109 22 F CA -0.151 57.816 58.000 -0.056 0.000 1.161 22 F CB 0.197 39.219 39.000 0.037 0.000 1.117 22 F HN 0.501 nan 8.300 nan 0.000 0.539 23 N N 4.460 122.912 118.700 -0.414 0.000 2.555 23 N HA 0.067 4.811 4.740 0.005 0.000 0.244 23 N C 0.783 176.210 175.510 -0.138 0.000 1.114 23 N CA -0.087 52.755 53.050 -0.348 0.000 0.963 23 N CB 0.364 38.542 38.487 -0.514 0.000 1.276 23 N HN 0.488 nan 8.380 nan 0.000 0.510 24 L N 2.965 124.115 121.223 -0.122 0.000 2.261 24 L HA -0.099 4.245 4.340 0.005 0.000 0.216 24 L C 1.538 178.173 176.870 -0.391 0.000 1.114 24 L CA 1.203 55.816 54.840 -0.379 0.000 0.777 24 L CB -0.620 40.990 42.059 -0.749 0.000 0.910 24 L HN 0.590 nan 8.230 nan 0.000 0.440 25 N N -0.947 117.663 118.700 -0.150 0.000 2.453 25 N HA -0.169 4.574 4.740 0.005 0.000 0.183 25 N C 1.449 176.954 175.510 -0.008 0.000 1.041 25 N CA 0.335 53.373 53.050 -0.019 0.000 0.900 25 N CB 0.025 38.565 38.487 0.089 0.000 0.961 25 N HN 0.138 nan 8.380 nan 0.000 0.443 26 K N 0.240 120.621 120.400 -0.033 0.000 2.444 26 K HA 0.120 4.443 4.320 0.005 0.000 0.193 26 K C 0.928 177.552 176.600 0.041 0.000 1.024 26 K CA 0.053 56.345 56.287 0.008 0.000 1.077 26 K CB 0.182 32.674 32.500 -0.014 0.000 0.833 26 K HN 0.015 nan 8.250 nan 0.000 0.517 27 L N 1.335 122.553 121.223 -0.009 0.000 2.275 27 L HA -0.073 4.270 4.340 0.005 0.000 0.215 27 L C -0.045 176.857 176.870 0.054 0.000 1.119 27 L CA 1.283 56.141 54.840 0.030 0.000 0.790 27 L CB -0.472 41.553 42.059 -0.056 0.000 0.919 27 L HN 0.283 nan 8.230 nan 0.000 0.443 28 E N 0.581 120.807 120.200 0.042 0.000 2.297 28 E HA -0.255 4.098 4.350 0.005 0.000 0.228 28 E C -0.018 176.615 176.600 0.056 0.000 1.213 28 E CA 0.681 57.113 56.400 0.053 0.000 0.712 28 E CB -1.801 27.930 29.700 0.053 0.000 1.202 28 E HN 0.480 nan 8.360 nan 0.000 0.376 29 D N -0.105 120.333 120.400 0.064 0.000 2.620 29 D HA 0.196 4.839 4.640 0.005 0.000 0.252 29 D C 0.908 177.267 176.300 0.098 0.000 1.207 29 D CA 0.179 54.223 54.000 0.073 0.000 0.884 29 D CB 1.040 41.882 40.800 0.069 0.000 1.262 29 D HN -0.041 nan 8.370 nan 0.000 0.552 30 S N 3.314 119.060 115.700 0.076 0.000 2.507 30 S HA -0.084 4.389 4.470 0.005 0.000 0.235 30 S C 1.573 176.211 174.600 0.064 0.000 0.988 30 S CA 0.346 58.586 58.200 0.066 0.000 0.944 30 S CB 0.049 63.276 63.200 0.046 0.000 0.762 30 S HN 0.479 nan 8.310 nan 0.000 0.526 31 R N -0.352 120.200 120.500 0.087 0.000 2.115 31 R HA -0.014 4.329 4.340 0.005 0.000 0.230 31 R C 2.087 178.430 176.300 0.072 0.000 1.111 31 R CA 1.318 57.471 56.100 0.088 0.000 0.976 31 R CB -0.521 29.857 30.300 0.130 0.000 0.870 31 R HN 0.549 nan 8.270 nan 0.000 0.445 32 Y N 0.994 121.275 120.300 -0.032 0.000 2.181 32 Y HA -0.109 4.444 4.550 0.005 0.000 0.288 32 Y C 2.178 177.995 175.900 -0.139 0.000 1.146 32 Y CA 1.615 59.667 58.100 -0.080 0.000 1.164 32 Y CB -0.629 37.794 38.460 -0.061 0.000 0.982 32 Y HN 0.015 nan 8.280 nan 0.000 0.515 33 G N -0.318 108.358 108.800 -0.207 0.000 2.679 33 G HA2 -0.113 3.850 3.960 0.005 0.000 0.212 33 G HA3 -0.113 3.850 3.960 0.005 0.000 0.212 33 G C 1.519 176.232 174.900 -0.310 0.000 1.137 33 G CA 0.202 45.114 45.100 -0.313 0.000 0.787 33 G HN 0.403 nan 8.290 nan 0.000 0.534 34 R N -0.772 119.574 120.500 -0.257 0.000 2.397 34 R HA 0.305 4.648 4.340 0.005 0.000 0.241 34 R C 0.200 176.304 176.300 -0.328 0.000 0.914 34 R CA -0.377 55.580 56.100 -0.238 0.000 1.071 34 R CB 0.312 30.543 30.300 -0.115 0.000 1.116 34 R HN 0.250 nan 8.270 nan 0.000 0.524 35 L N 2.931 123.902 121.223 -0.420 0.000 2.456 35 L HA 0.167 4.511 4.340 0.005 0.000 0.272 35 L C -2.068 174.414 176.870 -0.647 0.000 1.189 35 L CA -1.862 52.673 54.840 -0.507 0.000 0.846 35 L CB 0.248 42.027 42.059 -0.466 0.000 1.111 35 L HN -0.289 nan 8.230 nan 0.000 0.475 36 P HA -0.062 nan 4.420 nan 0.000 0.266 36 P C 0.162 177.294 177.300 -0.280 0.000 1.193 36 P CA 0.204 63.057 63.100 -0.411 0.000 0.770 36 P CB 0.359 31.821 31.700 -0.396 0.000 0.836 37 F N 0.755 120.657 119.950 -0.080 0.000 2.293 37 F HA -0.179 4.351 4.527 0.005 0.000 0.300 37 F C 2.467 178.185 175.800 -0.136 0.000 1.086 37 F CA 1.894 59.886 58.000 -0.013 0.000 1.375 37 F CB -0.933 38.187 39.000 0.200 0.000 1.045 37 F HN 0.284 nan 8.300 nan 0.000 0.516 38 S N 0.205 115.809 115.700 -0.161 0.000 2.383 38 S HA -0.182 4.291 4.470 0.005 0.000 0.229 38 S C 1.987 176.435 174.600 -0.253 0.000 1.030 38 S CA 1.221 59.073 58.200 -0.580 0.000 1.002 38 S CB -0.716 62.188 63.200 -0.493 0.000 0.829 38 S HN 0.229 nan 8.310 nan 0.000 0.467 39 I N 2.535 122.949 120.570 -0.260 0.000 2.439 39 I HA -0.020 4.154 4.170 0.005 0.000 0.251 39 I C 2.705 178.701 176.117 -0.200 0.000 1.139 39 I CA 0.891 62.005 61.300 -0.309 0.000 1.438 39 I CB -1.345 36.272 38.000 -0.639 0.000 1.085 39 I HN 0.332 nan 8.210 nan 0.000 0.427 40 R N 0.375 120.764 120.500 -0.186 0.000 2.117 40 R HA -0.147 4.196 4.340 0.005 0.000 0.243 40 R C 2.342 178.672 176.300 0.051 0.000 1.143 40 R CA 1.280 57.364 56.100 -0.027 0.000 0.968 40 R CB -0.586 29.654 30.300 -0.101 0.000 0.863 40 R HN 0.217 nan 8.270 nan 0.000 0.444 41 V N 1.711 121.628 119.914 0.005 0.000 2.261 41 V HA -0.243 3.880 4.120 0.005 0.000 0.246 41 V C 2.406 178.489 176.094 -0.018 0.000 1.047 41 V CA 1.745 64.073 62.300 0.047 0.000 1.015 41 V CB -0.502 31.324 31.823 0.006 0.000 0.642 41 V HN 0.280 nan 8.190 nan 0.000 0.446 42 L N -0.777 120.338 121.223 -0.180 0.000 2.013 42 L HA -0.239 4.104 4.340 0.005 0.000 0.212 42 L C 2.531 179.367 176.870 -0.057 0.000 1.073 42 L CA 1.535 56.236 54.840 -0.232 0.000 0.753 42 L CB -0.788 41.121 42.059 -0.251 0.000 0.890 42 L HN 0.349 nan 8.230 nan 0.000 0.432 43 L N 0.081 121.275 121.223 -0.048 0.000 1.989 43 L HA -0.236 4.107 4.340 0.005 0.000 0.211 43 L C 2.658 179.484 176.870 -0.072 0.000 1.071 43 L CA 1.866 56.676 54.840 -0.050 0.000 0.749 43 L CB -0.816 41.240 42.059 -0.006 0.000 0.890 43 L HN 0.251 nan 8.230 nan 0.000 0.431 44 E N -0.059 120.141 120.200 0.000 0.000 2.058 44 E HA -0.258 4.095 4.350 0.005 0.000 0.194 44 E C 2.042 178.610 176.600 -0.052 0.000 0.997 44 E CA 1.536 57.941 56.400 0.008 0.000 0.801 44 E CB -0.217 29.587 29.700 0.172 0.000 0.746 44 E HN 0.592 nan 8.360 nan 0.000 0.450 45 A N 1.131 123.972 122.820 0.036 0.000 1.940 45 A HA -0.124 4.200 4.320 0.005 0.000 0.219 45 A C 2.420 179.962 177.584 -0.071 0.000 1.176 45 A CA 2.301 54.352 52.037 0.024 0.000 0.631 45 A CB -0.654 18.527 19.000 0.302 0.000 0.814 45 A HN 0.383 nan 8.150 nan 0.000 0.446 46 A N -0.078 122.705 122.820 -0.060 0.000 1.855 46 A HA -0.038 4.286 4.320 0.005 0.000 0.215 46 A C 2.132 179.582 177.584 -0.224 0.000 1.191 46 A CA 1.422 53.399 52.037 -0.101 0.000 0.613 46 A CB -0.599 18.355 19.000 -0.078 0.000 0.829 46 A HN 0.469 nan 8.150 nan 0.000 0.442 47 I N -0.896 119.452 120.570 -0.369 0.000 2.127 47 I HA -0.288 3.886 4.170 0.005 0.000 0.241 47 I C 2.752 178.491 176.117 -0.631 0.000 1.075 47 I CA 1.927 62.876 61.300 -0.584 0.000 1.334 47 I CB -0.287 37.324 38.000 -0.649 0.000 1.040 47 I HN 0.368 nan 8.210 nan 0.000 0.405 48 R N 0.828 120.855 120.500 -0.788 0.000 2.120 48 R HA -0.133 4.210 4.340 0.005 0.000 0.234 48 R C 1.503 177.456 176.300 -0.580 0.000 1.123 48 R CA 1.404 56.846 56.100 -1.098 0.000 0.975 48 R CB -0.043 29.798 30.300 -0.766 0.000 0.866 48 R HN 0.380 nan 8.270 nan 0.000 0.446 49 N N -0.285 118.198 118.700 -0.361 0.000 2.236 49 N HA -0.016 4.727 4.740 0.005 0.000 0.196 49 N C -0.545 174.903 175.510 -0.104 0.000 1.114 49 N CA 0.027 52.949 53.050 -0.213 0.000 0.859 49 N CB 0.197 38.578 38.487 -0.177 0.000 0.982 49 N HN 0.145 nan 8.380 nan 0.000 0.493 50 C N 2.887 122.143 119.300 -0.072 0.000 2.638 50 C HA 0.020 4.483 4.460 0.005 0.000 0.410 50 C C 1.136 176.157 174.990 0.052 0.000 1.404 50 C CA -0.068 58.980 59.018 0.052 0.000 1.651 50 C CB -0.700 27.180 27.740 0.234 0.000 2.495 50 C HN 0.465 nan 8.230 nan 0.000 0.606 51 D N 1.583 122.023 120.400 0.066 0.000 2.514 51 D HA 0.094 4.737 4.640 0.005 0.000 0.225 51 D C 0.684 177.043 176.300 0.098 0.000 1.159 51 D CA 0.107 54.152 54.000 0.075 0.000 0.823 51 D CB -0.213 40.641 40.800 0.089 0.000 1.097 51 D HN 0.551 nan 8.370 nan 0.000 0.519 52 E N -1.468 118.794 120.200 0.103 0.000 3.413 52 E HA -0.215 4.138 4.350 0.005 0.000 0.300 52 E C -0.232 176.480 176.600 0.187 0.000 0.891 52 E CA 0.547 57.011 56.400 0.107 0.000 1.050 52 E CB -1.864 27.878 29.700 0.070 0.000 1.534 52 E HN 0.477 nan 8.360 nan 0.000 0.436 53 F N -0.519 119.438 119.950 0.012 0.000 2.129 53 F HA 0.309 4.840 4.527 0.005 0.000 0.234 53 F C 1.896 177.707 175.800 0.018 0.000 1.092 53 F CA 0.511 58.519 58.000 0.013 0.000 1.242 53 F CB -0.687 38.319 39.000 0.010 0.000 1.604 53 F HN -0.034 nan 8.300 nan 0.000 0.527 54 L N 0.498 121.634 121.223 -0.145 0.000 2.083 54 L HA -0.014 4.330 4.340 0.005 0.000 0.209 54 L C -0.243 176.568 176.870 -0.098 0.000 1.083 54 L CA 0.674 55.382 54.840 -0.219 0.000 0.752 54 L CB -0.350 41.674 42.059 -0.059 0.000 0.899 54 L HN -0.039 nan 8.230 nan 0.000 0.433 55 V N 0.333 120.236 119.914 -0.018 0.000 2.482 55 V HA 0.278 4.401 4.120 0.005 0.000 0.295 55 V C -0.366 175.753 176.094 0.043 0.000 1.026 55 V CA -0.894 61.409 62.300 0.005 0.000 0.856 55 V CB 1.667 33.490 31.823 0.001 0.000 1.001 55 V HN 0.097 nan 8.190 nan 0.000 0.424 56 K N 2.481 122.908 120.400 0.045 0.000 2.123 56 K HA 0.457 4.780 4.320 0.005 0.000 0.248 56 K C 0.875 177.547 176.600 0.120 0.000 0.969 56 K CA -0.842 55.487 56.287 0.071 0.000 0.882 56 K CB 2.241 34.767 32.500 0.043 0.000 1.080 56 K HN 0.529 nan 8.250 nan 0.000 0.441 57 K N 1.246 121.731 120.400 0.142 0.000 2.074 57 K HA -0.305 4.018 4.320 0.005 0.000 0.209 57 K C 1.984 178.693 176.600 0.182 0.000 1.048 57 K CA 1.868 58.289 56.287 0.224 0.000 0.926 57 K CB 0.072 32.625 32.500 0.089 0.000 0.713 57 K HN 0.451 nan 8.250 nan 0.000 0.444 58 Q N 1.124 120.984 119.800 0.100 0.000 2.197 58 Q HA -0.199 4.144 4.340 0.005 0.000 0.207 58 Q C 1.297 177.339 176.000 0.069 0.000 0.984 58 Q CA 2.192 58.039 55.803 0.073 0.000 0.869 58 Q CB -0.175 28.590 28.738 0.044 0.000 0.906 58 Q HN 0.409 nan 8.270 nan 0.000 0.426 59 D N -0.562 119.876 120.400 0.063 0.000 2.123 59 D HA -0.154 4.489 4.640 0.005 0.000 0.196 59 D C 1.744 178.066 176.300 0.036 0.000 0.992 59 D CA 1.175 55.201 54.000 0.043 0.000 0.833 59 D CB -0.135 40.684 40.800 0.032 0.000 0.954 59 D HN 0.299 nan 8.370 nan 0.000 0.455 60 I N 1.053 121.646 120.570 0.039 0.000 2.163 60 I HA -0.243 3.930 4.170 0.005 0.000 0.243 60 I C 2.353 178.479 176.117 0.015 0.000 1.085 60 I CA 1.105 62.382 61.300 -0.038 0.000 1.347 60 I CB -0.450 37.440 38.000 -0.182 0.000 1.044 60 I HN -0.074 nan 8.210 nan 0.000 0.408 61 E N 1.111 121.357 120.200 0.076 0.000 2.038 61 E HA -0.245 4.108 4.350 0.005 0.000 0.195 61 E C 1.961 178.616 176.600 0.093 0.000 1.000 61 E CA 1.812 58.256 56.400 0.073 0.000 0.803 61 E CB -0.348 29.389 29.700 0.062 0.000 0.750 61 E HN 0.395 nan 8.360 nan 0.000 0.448 62 N N 0.313 119.066 118.700 0.088 0.000 2.094 62 N HA -0.173 4.571 4.740 0.005 0.000 0.191 62 N C 1.996 177.574 175.510 0.113 0.000 1.023 62 N CA 1.668 54.779 53.050 0.103 0.000 0.857 62 N CB -0.345 38.179 38.487 0.061 0.000 1.013 62 N HN 0.344 nan 8.380 nan 0.000 0.426 63 I N 0.703 121.322 120.570 0.083 0.000 2.163 63 I HA -0.197 3.976 4.170 0.005 0.000 0.240 63 I C 2.296 178.493 176.117 0.132 0.000 1.081 63 I CA 0.695 62.047 61.300 0.086 0.000 1.353 63 I CB -0.270 37.744 38.000 0.022 0.000 1.054 63 I HN 0.076 nan 8.210 nan 0.000 0.407 64 L N 0.172 121.460 121.223 0.108 0.000 2.129 64 L HA -0.272 4.072 4.340 0.005 0.000 0.212 64 L C 2.147 179.149 176.870 0.220 0.000 1.087 64 L CA 1.400 56.322 54.840 0.137 0.000 0.757 64 L CB -0.546 41.569 42.059 0.094 0.000 0.896 64 L HN 0.384 nan 8.230 nan 0.000 0.434 65 H N -1.918 117.205 119.070 0.087 0.000 2.592 65 H HA -0.114 4.445 4.556 0.005 0.000 0.291 65 H C 1.153 176.527 175.328 0.076 0.000 1.052 65 H CA -0.336 55.753 56.048 0.068 0.000 1.175 65 H CB -0.463 29.318 29.762 0.032 0.000 1.378 65 H HN 0.380 nan 8.280 nan 0.000 0.576 66 W N 0.848 122.118 121.300 -0.050 0.000 2.290 66 W HA -0.326 4.337 4.660 0.005 0.000 0.318 66 W C 2.095 178.496 176.519 -0.197 0.000 1.248 66 W CA 2.057 59.321 57.345 -0.136 0.000 1.263 66 W CB -0.374 29.011 29.460 -0.125 0.000 1.147 66 W HN 0.253 nan 8.180 nan 0.000 0.494 67 N N 0.067 118.695 118.700 -0.121 0.000 2.192 67 N HA -0.189 4.554 4.740 0.005 0.000 0.188 67 N C 1.411 176.613 175.510 -0.512 0.000 1.013 67 N CA 2.230 55.029 53.050 -0.418 0.000 0.863 67 N CB -0.231 38.212 38.487 -0.073 0.000 0.990 67 N HN 0.245 nan 8.380 nan 0.000 0.430 68 V N 0.029 119.635 119.914 -0.513 0.000 2.581 68 V HA -0.079 4.044 4.120 0.005 0.000 0.240 68 V C 2.411 178.269 176.094 -0.393 0.000 1.054 68 V CA 1.786 63.816 62.300 -0.449 0.000 1.076 68 V CB -0.461 30.923 31.823 -0.732 0.000 0.748 68 V HN 0.463 nan 8.190 nan 0.000 0.474 69 T N -0.014 114.282 114.554 -0.429 0.000 2.962 69 T HA -0.259 4.095 4.350 0.005 0.000 0.270 69 T C 1.765 176.259 174.700 -0.344 0.000 1.088 69 T CA 1.468 63.411 62.100 -0.261 0.000 1.127 69 T CB -0.480 68.320 68.868 -0.113 0.000 0.883 69 T HN 0.698 nan 8.240 nan 0.000 0.493 70 Q N 0.670 120.087 119.800 -0.638 0.000 2.308 70 Q HA -0.227 4.117 4.340 0.005 0.000 0.209 70 Q C 1.478 177.089 176.000 -0.648 0.000 0.985 70 Q CA 1.571 56.914 55.803 -0.766 0.000 0.881 70 Q CB -0.637 27.302 28.738 -1.332 0.000 0.917 70 Q HN 0.678 nan 8.270 nan 0.000 0.443 71 H N 0.034 118.927 119.070 -0.296 0.000 2.586 71 H HA 0.266 4.825 4.556 0.005 0.000 0.273 71 H C 0.408 175.647 175.328 -0.147 0.000 0.997 71 H CA 0.172 56.097 56.048 -0.204 0.000 1.177 71 H CB 0.633 30.274 29.762 -0.201 0.000 1.471 71 H HN 0.341 nan 8.280 nan 0.000 0.538 72 K N 1.063 121.423 120.400 -0.067 0.000 2.440 72 K HA 0.025 4.348 4.320 0.005 0.000 0.206 72 K C 0.108 176.676 176.600 -0.052 0.000 1.025 72 K CA -0.276 55.982 56.287 -0.048 0.000 1.135 72 K CB 0.405 32.877 32.500 -0.047 0.000 0.856 72 K HN 0.023 nan 8.250 nan 0.000 0.502 73 N N 1.967 120.626 118.700 -0.068 0.000 2.696 73 N HA -0.199 4.544 4.740 0.005 0.000 0.256 73 N C -1.254 174.225 175.510 -0.051 0.000 1.031 73 N CA 0.466 53.481 53.050 -0.058 0.000 0.730 73 N CB -1.241 37.221 38.487 -0.041 0.000 0.894 73 N HN 0.301 nan 8.380 nan 0.000 0.544 74 I N 1.254 121.789 120.570 -0.059 0.000 2.378 74 I HA 0.180 4.353 4.170 0.005 0.000 0.291 74 I C 0.679 176.774 176.117 -0.037 0.000 0.992 74 I CA -0.884 60.392 61.300 -0.041 0.000 1.154 74 I CB 1.198 39.177 38.000 -0.035 0.000 1.315 74 I HN 0.293 nan 8.210 nan 0.000 0.448 75 E N 6.893 127.076 120.200 -0.029 0.000 2.343 75 E HA 0.514 4.867 4.350 0.005 0.000 0.269 75 E C -0.917 175.679 176.600 -0.007 0.000 1.047 75 E CA -0.683 55.704 56.400 -0.022 0.000 0.874 75 E CB 1.730 31.412 29.700 -0.030 0.000 1.033 75 E HN 0.345 nan 8.360 nan 0.000 0.409 76 V N -1.598 118.323 119.914 0.011 0.000 3.007 76 V HA 0.622 4.746 4.120 0.005 0.000 0.311 76 V C -2.742 173.393 176.094 0.068 0.000 1.120 76 V CA -2.711 59.608 62.300 0.032 0.000 0.980 76 V CB 1.608 33.452 31.823 0.034 0.000 1.033 76 V HN 0.723 nan 8.190 nan 0.000 0.429 77 P HA 0.482 nan 4.420 nan 0.000 0.282 77 P C -1.490 175.951 177.300 0.236 0.000 1.249 77 P CA -0.097 63.071 63.100 0.113 0.000 0.806 77 P CB 1.341 33.072 31.700 0.051 0.000 0.984 78 F N 2.214 122.200 119.950 0.059 0.000 2.562 78 F HA 0.409 4.939 4.527 0.006 0.000 0.319 78 F C -0.706 175.106 175.800 0.019 0.000 1.154 78 F CA -1.185 56.851 58.000 0.060 0.000 0.931 78 F CB 2.008 41.102 39.000 0.156 0.000 1.198 78 F HN 0.113 nan 8.300 nan 0.000 0.444 79 K N 8.286 128.474 120.400 -0.354 0.000 2.354 79 K HA 0.352 4.675 4.320 0.005 0.000 0.257 79 K C -2.520 173.620 176.600 -0.766 0.000 1.062 79 K CA -1.736 54.266 56.287 -0.475 0.000 0.971 79 K CB 1.096 33.454 32.500 -0.237 0.000 1.305 79 K HN 0.352 nan 8.250 nan 0.000 0.449 80 P HA 0.041 nan 4.420 nan 0.000 0.274 80 P C 0.156 177.214 177.300 -0.404 0.000 1.256 80 P CA -0.183 62.436 63.100 -0.801 0.000 0.795 80 P CB 1.079 32.361 31.700 -0.698 0.000 1.038 81 A N 1.591 124.242 122.820 -0.282 0.000 2.014 81 A HA -0.028 4.295 4.320 0.005 0.000 0.218 81 A C 1.167 178.586 177.584 -0.274 0.000 1.163 81 A CA 1.133 52.946 52.037 -0.373 0.000 0.652 81 A CB -0.414 18.232 19.000 -0.590 0.000 0.808 81 A HN 0.745 nan 8.150 nan 0.000 0.449 82 R N -3.655 116.776 120.500 -0.114 0.000 2.756 82 R HA 0.672 5.015 4.340 0.005 0.000 0.273 82 R C -2.026 174.270 176.300 -0.008 0.000 1.030 82 R CA -0.755 55.354 56.100 0.015 0.000 0.887 82 R CB 0.959 31.374 30.300 0.191 0.000 1.274 82 R HN -0.048 nan 8.270 nan 0.000 0.461 83 V N 1.033 120.968 119.914 0.034 0.000 2.876 83 V HA 0.604 4.727 4.120 0.005 0.000 0.312 83 V C -0.638 175.491 176.094 0.058 0.000 1.085 83 V CA -0.846 61.468 62.300 0.024 0.000 0.945 83 V CB 2.073 33.907 31.823 0.020 0.000 1.017 83 V HN 0.686 nan 8.190 nan 0.000 0.428 84 I N 3.600 124.207 120.570 0.061 0.000 2.689 84 I HA 0.703 4.876 4.170 0.005 0.000 0.299 84 I C -1.612 174.547 176.117 0.070 0.000 1.059 84 I CA -0.626 60.720 61.300 0.077 0.000 1.055 84 I CB 1.939 40.002 38.000 0.104 0.000 1.243 84 I HN 0.510 nan 8.210 nan 0.000 0.425 85 L N 5.367 126.626 121.223 0.060 0.000 2.359 85 L HA 0.559 4.902 4.340 0.005 0.000 0.256 85 L C -0.967 175.927 176.870 0.039 0.000 1.026 85 L CA -0.446 54.424 54.840 0.050 0.000 0.828 85 L CB 1.988 44.073 42.059 0.044 0.000 1.406 85 L HN 0.572 nan 8.230 nan 0.000 0.413 86 Q N -1.052 118.766 119.800 0.029 0.000 2.572 86 Q HA 0.416 4.760 4.340 0.005 0.000 0.284 86 Q C -0.127 175.906 176.000 0.055 0.000 1.091 86 Q CA -0.723 55.093 55.803 0.021 0.000 0.840 86 Q CB 0.767 29.496 28.738 -0.015 0.000 1.433 86 Q HN 0.582 nan 8.270 nan 0.000 0.471 87 D N -0.504 119.954 120.400 0.095 0.000 2.194 87 D HA -0.102 4.542 4.640 0.005 0.000 0.204 87 D C 1.071 177.562 176.300 0.319 0.000 0.964 87 D CA 0.681 54.807 54.000 0.211 0.000 0.846 87 D CB -0.075 40.886 40.800 0.268 0.000 0.962 87 D HN 0.325 nan 8.370 nan 0.000 0.490 88 F N 2.556 122.498 119.950 -0.014 0.000 2.102 88 F HA -0.114 4.416 4.527 0.005 0.000 0.298 88 F C 2.745 178.568 175.800 0.039 0.000 1.105 88 F CA 1.834 59.834 58.000 -0.000 0.000 1.239 88 F CB -1.009 37.910 39.000 -0.136 0.000 0.991 88 F HN 0.134 nan 8.300 nan 0.000 0.474 89 T N -3.619 111.041 114.554 0.177 0.000 3.065 89 T HA 0.186 4.540 4.350 0.005 0.000 0.252 89 T C 2.168 176.932 174.700 0.108 0.000 1.099 89 T CA 0.695 62.868 62.100 0.121 0.000 1.063 89 T CB -0.459 68.453 68.868 0.074 0.000 0.948 89 T HN 0.201 nan 8.240 nan 0.000 0.506 90 G N 1.231 110.110 108.800 0.131 0.000 2.408 90 G HA2 0.002 3.965 3.960 0.005 0.000 0.215 90 G HA3 0.002 3.965 3.960 0.005 0.000 0.215 90 G C 1.482 176.498 174.900 0.194 0.000 1.156 90 G CA 0.546 45.721 45.100 0.125 0.000 0.793 90 G HN 0.414 nan 8.290 nan 0.000 0.535 91 V N 2.497 122.571 119.914 0.267 0.000 2.233 91 V HA -0.113 4.010 4.120 0.005 0.000 0.247 91 V C 0.455 176.746 176.094 0.329 0.000 1.050 91 V CA 2.429 64.946 62.300 0.363 0.000 1.010 91 V CB -0.979 31.039 31.823 0.324 0.000 0.637 91 V HN 0.308 nan 8.190 nan 0.000 0.444 92 P HA -0.156 nan 4.420 nan 0.000 0.219 92 P C 1.544 178.931 177.300 0.144 0.000 1.146 92 P CA 2.081 65.332 63.100 0.252 0.000 0.808 92 P CB -0.087 31.800 31.700 0.311 0.000 0.779 93 A N 0.215 123.065 122.820 0.051 0.000 1.877 93 A HA -0.136 4.187 4.320 0.005 0.000 0.216 93 A C 2.479 179.959 177.584 -0.173 0.000 1.186 93 A CA 2.026 53.976 52.037 -0.146 0.000 0.620 93 A CB -1.667 17.211 19.000 -0.202 0.000 0.822 93 A HN 0.073 nan 8.150 nan 0.000 0.443 94 V N -0.356 119.585 119.914 0.045 0.000 2.407 94 V HA -0.214 3.910 4.120 0.005 0.000 0.248 94 V C 2.564 178.894 176.094 0.393 0.000 1.055 94 V CA 1.809 64.182 62.300 0.121 0.000 1.049 94 V CB -0.700 31.187 31.823 0.106 0.000 0.662 94 V HN 0.371 nan 8.190 nan 0.000 0.455 95 V N 0.295 120.523 119.914 0.524 0.000 2.255 95 V HA -0.280 3.843 4.120 0.005 0.000 0.247 95 V C 2.332 178.737 176.094 0.520 0.000 1.051 95 V CA 2.304 64.953 62.300 0.581 0.000 1.018 95 V CB -0.730 31.342 31.823 0.415 0.000 0.641 95 V HN 0.550 nan 8.190 nan 0.000 0.445 96 D N -0.220 120.374 120.400 0.324 0.000 2.106 96 D HA -0.186 4.457 4.640 0.005 0.000 0.191 96 D C 2.010 178.550 176.300 0.400 0.000 0.997 96 D CA 1.416 55.609 54.000 0.322 0.000 0.834 96 D CB -0.417 40.435 40.800 0.088 0.000 0.956 96 D HN 0.351 nan 8.370 nan 0.000 0.448 97 F N 1.253 121.276 119.950 0.121 0.000 2.126 97 F HA -0.114 4.416 4.527 0.005 0.000 0.299 97 F C 2.502 178.495 175.800 0.322 0.000 1.096 97 F CA 0.605 58.595 58.000 -0.017 0.000 1.255 97 F CB -1.160 37.410 39.000 -0.716 0.000 0.997 97 F HN -0.077 nan 8.300 nan 0.000 0.479 98 A N -0.153 123.089 122.820 0.704 0.000 1.877 98 A HA -0.058 4.265 4.320 0.005 0.000 0.216 98 A C 2.482 180.534 177.584 0.780 0.000 1.186 98 A CA 2.009 54.529 52.037 0.805 0.000 0.620 98 A CB -1.314 18.097 19.000 0.686 0.000 0.822 98 A HN 0.297 nan 8.150 nan 0.000 0.443 99 A N -0.614 122.703 122.820 0.830 0.000 1.902 99 A HA -0.143 4.180 4.320 0.005 0.000 0.217 99 A C 2.261 180.171 177.584 0.544 0.000 1.181 99 A CA 1.879 54.355 52.037 0.731 0.000 0.623 99 A CB -0.562 18.842 19.000 0.673 0.000 0.818 99 A HN 0.545 nan 8.150 nan 0.000 0.443 100 M N -1.319 118.527 119.600 0.410 0.000 2.159 100 M HA -0.143 4.340 4.480 0.005 0.000 0.263 100 M C 2.380 178.763 176.300 0.140 0.000 1.063 100 M CA 1.368 56.712 55.300 0.073 0.000 1.110 100 M CB -0.309 32.336 32.600 0.075 0.000 1.374 100 M HN 0.346 nan 8.290 nan 0.000 0.411 101 R N 0.366 121.035 120.500 0.282 0.000 2.081 101 R HA -0.150 4.193 4.340 0.005 0.000 0.235 101 R C 1.666 178.099 176.300 0.222 0.000 1.131 101 R CA 1.462 57.707 56.100 0.241 0.000 0.960 101 R CB -0.415 30.070 30.300 0.308 0.000 0.856 101 R HN 0.390 nan 8.270 nan 0.000 0.436 102 D N 0.303 120.887 120.400 0.308 0.000 2.117 102 D HA -0.113 4.530 4.640 0.005 0.000 0.197 102 D C 1.775 178.188 176.300 0.188 0.000 0.987 102 D CA 1.466 55.635 54.000 0.282 0.000 0.829 102 D CB -0.236 40.800 40.800 0.392 0.000 0.961 102 D HN 0.222 nan 8.370 nan 0.000 0.460 103 A N 0.646 123.562 122.820 0.160 0.000 1.877 103 A HA -0.127 4.196 4.320 0.005 0.000 0.216 103 A C 2.537 180.142 177.584 0.035 0.000 1.186 103 A CA 1.235 53.320 52.037 0.080 0.000 0.620 103 A CB -0.803 18.177 19.000 -0.033 0.000 0.822 103 A HN 0.138 nan 8.150 nan 0.000 0.443 104 V N 0.589 120.513 119.914 0.016 0.000 2.392 104 V HA -0.297 3.826 4.120 0.005 0.000 0.249 104 V C 2.571 178.684 176.094 0.032 0.000 1.059 104 V CA 2.491 64.795 62.300 0.008 0.000 1.051 104 V CB -0.718 31.107 31.823 0.003 0.000 0.658 104 V HN 0.780 nan 8.190 nan 0.000 0.455 105 K N 0.185 120.622 120.400 0.061 0.000 2.057 105 K HA -0.192 4.131 4.320 0.005 0.000 0.206 105 K C 2.153 178.788 176.600 0.058 0.000 1.050 105 K CA 1.202 57.527 56.287 0.063 0.000 0.935 105 K CB -0.067 32.485 32.500 0.088 0.000 0.715 105 K HN 0.244 nan 8.250 nan 0.000 0.439 106 K N 0.962 121.403 120.400 0.068 0.000 2.148 106 K HA -0.081 4.242 4.320 0.005 0.000 0.204 106 K C 1.948 178.575 176.600 0.044 0.000 1.050 106 K CA 1.027 57.351 56.287 0.061 0.000 0.942 106 K CB -0.325 32.219 32.500 0.073 0.000 0.724 106 K HN 0.284 nan 8.250 nan 0.000 0.446 107 L N -0.073 121.171 121.223 0.036 0.000 2.610 107 L HA 0.064 4.407 4.340 0.005 0.000 0.232 107 L C 0.928 177.809 176.870 0.018 0.000 1.149 107 L CA 0.551 55.405 54.840 0.023 0.000 0.872 107 L CB -0.330 41.736 42.059 0.011 0.000 0.992 107 L HN 0.447 nan 8.230 nan 0.000 0.447 108 G N -0.429 108.385 108.800 0.022 0.000 2.131 108 G HA2 -0.191 3.772 3.960 0.005 0.000 0.223 108 G HA3 -0.191 3.772 3.960 0.005 0.000 0.223 108 G C 0.419 175.327 174.900 0.013 0.000 0.990 108 G CA -0.191 44.920 45.100 0.018 0.000 0.671 108 G HN 0.504 nan 8.290 nan 0.000 0.521 109 G N -0.837 107.970 108.800 0.012 0.000 2.557 109 G HA2 0.520 4.483 3.960 0.005 0.000 0.302 109 G HA3 0.520 4.483 3.960 0.005 0.000 0.302 109 G C -0.787 174.119 174.900 0.010 0.000 1.311 109 G CA 0.216 45.319 45.100 0.005 0.000 1.030 109 G HN 0.280 nan 8.290 nan 0.000 0.509 110 D N -0.442 119.961 120.400 0.004 0.000 2.359 110 D HA 0.353 4.996 4.640 0.005 0.000 0.230 110 D C -1.532 174.772 176.300 0.006 0.000 1.118 110 D CA -2.277 51.727 54.000 0.007 0.000 0.844 110 D CB 1.808 42.609 40.800 0.002 0.000 1.059 110 D HN -0.084 nan 8.370 nan 0.000 0.493 111 P HA -0.038 nan 4.420 nan 0.000 0.230 111 P C 0.820 178.115 177.300 -0.008 0.000 1.158 111 P CA 0.431 63.546 63.100 0.026 0.000 0.769 111 P CB 0.396 32.129 31.700 0.055 0.000 0.807 112 E N 0.177 120.362 120.200 -0.025 0.000 2.409 112 E HA -0.118 4.235 4.350 0.005 0.000 0.198 112 E C 1.445 178.017 176.600 -0.046 0.000 1.024 112 E CA 0.757 57.123 56.400 -0.056 0.000 0.861 112 E CB -0.236 29.450 29.700 -0.025 0.000 0.788 112 E HN 0.410 nan 8.360 nan 0.000 0.521 113 K N 0.223 120.607 120.400 -0.028 0.000 2.288 113 K HA 0.002 4.325 4.320 0.005 0.000 0.201 113 K C 0.580 177.147 176.600 -0.055 0.000 1.048 113 K CA 0.316 56.586 56.287 -0.028 0.000 0.956 113 K CB 0.319 32.806 32.500 -0.021 0.000 0.746 113 K HN 0.007 nan 8.250 nan 0.000 0.461 114 I N 2.624 123.159 120.570 -0.059 0.000 2.311 114 I HA 0.082 4.256 4.170 0.005 0.000 0.297 114 I C -0.896 175.112 176.117 -0.182 0.000 1.131 114 I CA 0.419 61.653 61.300 -0.110 0.000 1.289 114 I CB -0.871 37.132 38.000 0.005 0.000 1.446 114 I HN 0.123 nan 8.210 nan 0.000 0.524 115 N N 6.423 124.959 118.700 -0.273 0.000 2.635 115 N HA 0.281 5.024 4.740 0.005 0.000 0.260 115 N C -2.848 172.548 175.510 -0.190 0.000 1.078 115 N CA -0.976 51.924 53.050 -0.250 0.000 1.012 115 N CB 2.624 40.980 38.487 -0.218 0.000 1.677 115 N HN 0.146 nan 8.380 nan 0.000 0.514 116 P HA -0.035 nan 4.420 nan 0.000 0.265 116 P C 0.488 177.815 177.300 0.045 0.000 1.193 116 P CA -0.162 62.928 63.100 -0.016 0.000 0.765 116 P CB 0.657 32.392 31.700 0.058 0.000 0.823 117 V N 0.362 120.299 119.914 0.039 0.000 3.578 117 V HA 0.179 4.302 4.120 0.005 0.000 0.290 117 V C 0.469 176.584 176.094 0.035 0.000 1.376 117 V CA 0.010 62.333 62.300 0.039 0.000 1.083 117 V CB -0.947 30.888 31.823 0.021 0.000 0.911 117 V HN 0.630 nan 8.190 nan 0.000 0.433 118 C N -2.380 116.945 119.300 0.042 0.000 2.771 118 C HA 0.865 5.328 4.460 0.005 0.000 0.333 118 C C -2.879 172.165 174.990 0.089 0.000 1.267 118 C CA -2.453 56.595 59.018 0.049 0.000 1.721 118 C CB 1.307 29.047 27.740 0.001 0.000 2.222 118 C HN 0.229 nan 8.230 nan 0.000 0.485 119 P HA 0.380 nan 4.420 nan 0.000 0.268 119 P C -0.643 176.725 177.300 0.113 0.000 1.204 119 P CA 0.762 63.944 63.100 0.137 0.000 0.768 119 P CB 0.427 32.247 31.700 0.200 0.000 0.842 120 A N 2.877 125.759 122.820 0.104 0.000 2.335 120 A HA 0.490 4.814 4.320 0.005 0.000 0.304 120 A C -0.917 176.720 177.584 0.087 0.000 1.118 120 A CA -0.497 51.597 52.037 0.096 0.000 0.757 120 A CB 0.774 19.839 19.000 0.108 0.000 1.188 120 A HN 0.368 nan 8.150 nan 0.000 0.460 121 D N 1.969 122.416 120.400 0.079 0.000 2.278 121 D HA 0.471 5.115 4.640 0.005 0.000 0.245 121 D C -1.083 175.254 176.300 0.062 0.000 1.052 121 D CA 0.064 54.107 54.000 0.071 0.000 0.834 121 D CB 2.326 43.169 40.800 0.070 0.000 1.194 121 D HN 0.489 nan 8.370 nan 0.000 0.481 122 L N 2.009 123.262 121.223 0.050 0.000 2.362 122 L HA 0.488 4.831 4.340 0.005 0.000 0.275 122 L C -1.427 175.441 176.870 -0.004 0.000 0.998 122 L CA -0.695 54.166 54.840 0.035 0.000 0.820 122 L CB 1.758 43.848 42.059 0.052 0.000 1.270 122 L HN 0.059 nan 8.230 nan 0.000 0.415 123 V N 6.133 126.044 119.914 -0.005 0.000 2.409 123 V HA 0.378 4.502 4.120 0.005 0.000 0.291 123 V C 0.165 176.238 176.094 -0.035 0.000 1.020 123 V CA -0.427 61.853 62.300 -0.034 0.000 0.848 123 V CB 1.637 33.458 31.823 -0.004 0.000 0.990 123 V HN 0.569 nan 8.190 nan 0.000 0.430 124 I N 5.596 126.097 120.570 -0.115 0.000 2.294 124 I HA 0.268 4.442 4.170 0.005 0.000 0.295 124 I C 0.304 176.400 176.117 -0.036 0.000 1.098 124 I CA 0.133 61.376 61.300 -0.096 0.000 1.277 124 I CB 0.484 38.296 38.000 -0.313 0.000 1.434 124 I HN 0.824 nan 8.210 nan 0.000 0.498 125 D N 1.561 121.992 120.400 0.052 0.000 2.401 125 D HA -0.039 4.604 4.640 0.005 0.000 0.269 125 D C 1.122 177.382 176.300 -0.067 0.000 1.117 125 D CA 0.170 54.177 54.000 0.013 0.000 0.829 125 D CB 0.008 40.812 40.800 0.007 0.000 1.350 125 D HN 0.391 nan 8.370 nan 0.000 0.529 126 H N -0.168 118.787 119.070 -0.192 0.000 2.529 126 H HA 0.425 4.984 4.556 0.005 0.000 0.277 126 H C 1.051 176.122 175.328 -0.429 0.000 1.004 126 H CA 0.414 56.162 56.048 -0.500 0.000 1.167 126 H CB 0.820 29.942 29.762 -1.067 0.000 1.445 126 H HN -0.003 nan 8.280 nan 0.000 0.554 127 S N -0.417 115.291 115.700 0.013 0.000 2.499 127 S HA 0.157 4.630 4.470 0.005 0.000 0.225 127 S C 0.879 175.550 174.600 0.119 0.000 1.050 127 S CA -0.327 57.959 58.200 0.144 0.000 0.928 127 S CB 0.656 64.054 63.200 0.330 0.000 0.803 127 S HN 0.310 nan 8.310 nan 0.000 0.506 128 I N 2.505 123.133 120.570 0.097 0.000 2.634 128 I HA 0.064 4.237 4.170 0.005 0.000 0.284 128 I C -0.418 175.726 176.117 0.045 0.000 1.124 128 I CA 0.185 61.538 61.300 0.090 0.000 1.417 128 I CB 0.540 38.597 38.000 0.095 0.000 1.396 128 I HN 0.236 nan 8.210 nan 0.000 0.571 129 Q N 4.932 124.765 119.800 0.055 0.000 2.433 129 Q HA 0.371 4.714 4.340 0.005 0.000 0.279 129 Q C -0.789 175.224 176.000 0.022 0.000 1.105 129 Q CA -0.990 54.832 55.803 0.032 0.000 0.815 129 Q CB 2.470 31.230 28.738 0.036 0.000 1.403 129 Q HN 0.482 nan 8.270 nan 0.000 0.435 130 V N 2.226 122.143 119.914 0.004 0.000 1.984 130 V HA -0.044 4.080 4.120 0.005 0.000 0.272 130 V C 0.488 176.549 176.094 -0.055 0.000 1.706 130 V CA 0.432 62.727 62.300 -0.008 0.000 1.644 130 V CB -0.868 30.947 31.823 -0.013 0.000 1.509 130 V HN 0.736 nan 8.190 nan 0.000 0.511 131 D N 1.453 121.802 120.400 -0.084 0.000 2.117 131 D HA -0.069 4.574 4.640 0.005 0.000 0.197 131 D C 0.325 176.280 176.300 -0.576 0.000 0.987 131 D CA 1.646 55.456 54.000 -0.318 0.000 0.829 131 D CB 0.230 40.852 40.800 -0.297 0.000 0.961 131 D HN 0.494 nan 8.370 nan 0.000 0.460 132 F N 0.480 120.433 119.950 0.004 0.000 2.563 132 F HA 0.318 4.848 4.527 0.005 0.000 0.316 132 F C 0.552 176.335 175.800 -0.028 0.000 1.076 132 F CA -1.108 56.889 58.000 -0.005 0.000 0.921 132 F CB 1.801 40.800 39.000 -0.002 0.000 1.209 132 F HN -0.194 nan 8.300 nan 0.000 0.462 133 N N 0.512 119.300 118.700 0.146 0.000 2.732 133 N HA 0.468 5.211 4.740 0.005 0.000 0.259 133 N C -0.364 175.153 175.510 0.011 0.000 1.402 133 N CA -0.912 52.156 53.050 0.029 0.000 0.829 133 N CB 2.136 40.593 38.487 -0.050 0.000 1.495 133 N HN 0.711 nan 8.380 nan 0.000 0.511 134 R N -1.467 119.001 120.500 -0.053 0.000 3.963 134 R HA -0.122 4.221 4.340 0.005 0.000 0.394 134 R C -0.631 175.656 176.300 -0.022 0.000 1.131 134 R CA 1.064 57.128 56.100 -0.059 0.000 1.059 134 R CB -0.864 29.402 30.300 -0.056 0.000 1.614 134 R HN 0.632 nan 8.270 nan 0.000 0.546 135 R N -1.291 119.201 120.500 -0.013 0.000 2.795 135 R HA 0.482 4.825 4.340 0.005 0.000 0.275 135 R C 0.730 177.010 176.300 -0.033 0.000 0.981 135 R CA 0.197 56.286 56.100 -0.018 0.000 0.917 135 R CB 1.373 31.665 30.300 -0.014 0.000 1.202 135 R HN 0.062 nan 8.270 nan 0.000 0.469 136 A N 1.090 123.886 122.820 -0.040 0.000 1.972 136 A HA -0.185 4.139 4.320 0.005 0.000 0.219 136 A C 1.067 178.620 177.584 -0.051 0.000 1.169 136 A CA 2.026 54.036 52.037 -0.045 0.000 0.635 136 A CB -0.301 18.672 19.000 -0.045 0.000 0.810 136 A HN 0.756 nan 8.150 nan 0.000 0.446 137 D N -0.446 119.916 120.400 -0.063 0.000 2.340 137 D HA -0.018 4.625 4.640 0.005 0.000 0.217 137 D C 1.564 177.809 176.300 -0.091 0.000 1.081 137 D CA 0.933 54.885 54.000 -0.080 0.000 0.842 137 D CB -0.677 40.059 40.800 -0.106 0.000 0.934 137 D HN 0.439 nan 8.370 nan 0.000 0.511 138 S N 0.263 115.930 115.700 -0.055 0.000 2.383 138 S HA -0.171 4.302 4.470 0.005 0.000 0.227 138 S C 1.901 176.516 174.600 0.024 0.000 1.026 138 S CA 0.536 58.737 58.200 0.001 0.000 0.981 138 S CB -0.668 62.568 63.200 0.060 0.000 0.818 138 S HN 0.251 nan 8.310 nan 0.000 0.472 139 L N 1.596 122.812 121.223 -0.012 0.000 1.989 139 L HA -0.102 4.241 4.340 0.005 0.000 0.211 139 L C 2.786 179.671 176.870 0.024 0.000 1.071 139 L CA 2.126 56.960 54.840 -0.010 0.000 0.749 139 L CB -1.069 40.965 42.059 -0.041 0.000 0.890 139 L HN 0.289 nan 8.230 nan 0.000 0.431 140 Q N -0.102 119.699 119.800 0.002 0.000 2.084 140 Q HA -0.232 4.112 4.340 0.005 0.000 0.202 140 Q C 2.237 178.247 176.000 0.017 0.000 0.978 140 Q CA 1.843 57.651 55.803 0.008 0.000 0.844 140 Q CB -0.068 28.655 28.738 -0.024 0.000 0.898 140 Q HN 0.607 nan 8.270 nan 0.000 0.426 141 K N 0.152 120.537 120.400 -0.026 0.000 2.097 141 K HA -0.101 4.222 4.320 0.005 0.000 0.206 141 K C 1.733 178.437 176.600 0.173 0.000 1.049 141 K CA 1.097 57.367 56.287 -0.029 0.000 0.933 141 K CB -0.059 32.223 32.500 -0.364 0.000 0.717 141 K HN 0.202 nan 8.250 nan 0.000 0.442 142 N N 1.263 120.082 118.700 0.199 0.000 2.216 142 N HA -0.121 4.622 4.740 0.005 0.000 0.183 142 N C 1.788 177.402 175.510 0.173 0.000 1.017 142 N CA 1.027 54.200 53.050 0.204 0.000 0.861 142 N CB -0.096 38.480 38.487 0.148 0.000 0.986 142 N HN 0.287 nan 8.380 nan 0.000 0.428 143 Q N 0.394 120.286 119.800 0.154 0.000 2.119 143 Q HA -0.098 4.246 4.340 0.005 0.000 0.201 143 Q C 0.965 177.105 176.000 0.233 0.000 0.972 143 Q CA 1.023 56.941 55.803 0.192 0.000 0.847 143 Q CB 0.088 28.921 28.738 0.158 0.000 0.903 143 Q HN 0.308 nan 8.270 nan 0.000 0.433 144 D N 0.562 121.064 120.400 0.170 0.000 2.092 144 D HA -0.168 4.475 4.640 0.005 0.000 0.193 144 D C 1.926 178.349 176.300 0.205 0.000 0.994 144 D CA 1.033 55.132 54.000 0.165 0.000 0.828 144 D CB -0.263 40.596 40.800 0.099 0.000 0.963 144 D HN 0.215 nan 8.370 nan 0.000 0.450 145 L N 0.786 122.123 121.223 0.190 0.000 2.042 145 L HA -0.172 4.171 4.340 0.005 0.000 0.210 145 L C 2.521 179.487 176.870 0.161 0.000 1.076 145 L CA 1.182 56.124 54.840 0.170 0.000 0.749 145 L CB -0.463 41.697 42.059 0.168 0.000 0.893 145 L HN 0.110 nan 8.230 nan 0.000 0.432 146 E N 0.322 120.638 120.200 0.192 0.000 2.049 146 E HA -0.291 4.062 4.350 0.005 0.000 0.198 146 E C 2.216 178.907 176.600 0.151 0.000 1.007 146 E CA 1.782 58.294 56.400 0.186 0.000 0.809 146 E CB -0.187 29.674 29.700 0.269 0.000 0.749 146 E HN 0.351 nan 8.360 nan 0.000 0.450 147 F N 1.334 121.394 119.950 0.184 0.000 2.134 147 F HA -0.119 4.411 4.527 0.005 0.000 0.299 147 F C 2.310 178.116 175.800 0.010 0.000 1.097 147 F CA 1.757 59.858 58.000 0.169 0.000 1.264 147 F CB 0.033 39.179 39.000 0.243 0.000 1.001 147 F HN 0.091 nan 8.300 nan 0.000 0.479 148 E N -0.633 119.702 120.200 0.225 0.000 2.153 148 E HA -0.193 4.160 4.350 0.005 0.000 0.194 148 E C 2.209 178.826 176.600 0.028 0.000 0.988 148 E CA 0.891 57.367 56.400 0.126 0.000 0.811 148 E CB -0.099 29.673 29.700 0.119 0.000 0.746 148 E HN 0.389 nan 8.360 nan 0.000 0.466 149 R N 0.129 120.622 120.500 -0.011 0.000 2.161 149 R HA 0.087 4.430 4.340 0.005 0.000 0.213 149 R C 1.010 177.184 176.300 -0.209 0.000 1.055 149 R CA 0.617 56.692 56.100 -0.042 0.000 0.996 149 R CB 0.255 30.560 30.300 0.007 0.000 0.901 149 R HN 0.086 nan 8.270 nan 0.000 0.456 150 N N 0.113 118.552 118.700 -0.435 0.000 2.238 150 N HA 0.038 4.781 4.740 0.005 0.000 0.235 150 N C 0.876 175.791 175.510 -0.991 0.000 1.209 150 N CA -0.056 52.507 53.050 -0.812 0.000 0.879 150 N CB 0.827 38.655 38.487 -1.097 0.000 1.136 150 N HN 0.129 nan 8.380 nan 0.000 0.517 151 R N 1.812 121.974 120.500 -0.563 0.000 2.096 151 R HA -0.159 4.185 4.340 0.005 0.000 0.240 151 R C 1.838 178.021 176.300 -0.196 0.000 1.139 151 R CA 1.678 57.599 56.100 -0.298 0.000 0.952 151 R CB 0.080 30.362 30.300 -0.030 0.000 0.854 151 R HN 0.254 nan 8.270 nan 0.000 0.436 152 E N 0.052 120.112 120.200 -0.234 0.000 2.077 152 E HA -0.220 4.133 4.350 0.005 0.000 0.193 152 E C 2.094 178.679 176.600 -0.026 0.000 0.989 152 E CA 1.165 57.502 56.400 -0.104 0.000 0.800 152 E CB 0.062 29.693 29.700 -0.114 0.000 0.746 152 E HN 0.353 nan 8.360 nan 0.000 0.452 153 R N -0.507 119.880 120.500 -0.187 0.000 2.091 153 R HA -0.142 4.202 4.340 0.005 0.000 0.238 153 R C 2.321 178.837 176.300 0.360 0.000 1.136 153 R CA 1.596 57.734 56.100 0.062 0.000 0.959 153 R CB -0.335 29.932 30.300 -0.056 0.000 0.856 153 R HN 0.232 nan 8.270 nan 0.000 0.437 154 F N 1.382 121.367 119.950 0.059 0.000 2.134 154 F HA -0.132 4.398 4.527 0.005 0.000 0.299 154 F C 2.149 177.952 175.800 0.004 0.000 1.097 154 F CA 1.048 59.114 58.000 0.110 0.000 1.264 154 F CB -0.960 38.000 39.000 -0.067 0.000 1.001 154 F HN 0.081 nan 8.300 nan 0.000 0.479 155 E N -0.640 119.675 120.200 0.192 0.000 2.077 155 E HA -0.248 4.105 4.350 0.005 0.000 0.193 155 E C 2.114 178.874 176.600 0.268 0.000 0.989 155 E CA 1.394 57.871 56.400 0.127 0.000 0.800 155 E CB -0.527 29.252 29.700 0.130 0.000 0.746 155 E HN 0.334 nan 8.360 nan 0.000 0.452 156 F N 1.362 121.431 119.950 0.199 0.000 2.134 156 F HA -0.139 4.391 4.527 0.004 0.000 0.299 156 F C 1.878 177.893 175.800 0.358 0.000 1.097 156 F CA 1.226 59.376 58.000 0.250 0.000 1.264 156 F CB -0.087 38.992 39.000 0.133 0.000 1.001 156 F HN -0.091 nan 8.300 nan 0.000 0.479 157 L N 0.018 121.448 121.223 0.344 0.000 2.056 157 L HA -0.223 4.120 4.340 0.005 0.000 0.207 157 L C 2.581 179.608 176.870 0.263 0.000 1.078 157 L CA 1.561 56.569 54.840 0.280 0.000 0.749 157 L CB -0.756 41.564 42.059 0.435 0.000 0.901 157 L HN 0.077 nan 8.230 nan 0.000 0.433 158 K N -0.371 120.190 120.400 0.269 0.000 2.020 158 K HA -0.287 4.036 4.320 0.005 0.000 0.212 158 K C 2.051 178.733 176.600 0.137 0.000 1.050 158 K CA 2.248 58.632 56.287 0.162 0.000 0.929 158 K CB -0.406 31.961 32.500 -0.223 0.000 0.714 158 K HN 0.287 nan 8.250 nan 0.000 0.443 159 W N 0.911 122.198 121.300 -0.020 0.000 2.317 159 W HA -0.202 4.462 4.660 0.007 0.000 0.318 159 W C 1.817 178.314 176.519 -0.036 0.000 1.227 159 W CA 2.396 59.726 57.345 -0.025 0.000 1.269 159 W CB -0.949 28.517 29.460 0.011 0.000 1.155 159 W HN 0.186 nan 8.180 nan 0.000 0.484 160 G N -0.181 108.478 108.800 -0.234 0.000 2.469 160 G HA2 -0.388 3.576 3.960 0.005 0.000 0.219 160 G HA3 -0.388 3.576 3.960 0.005 0.000 0.219 160 G C 1.569 176.377 174.900 -0.152 0.000 1.150 160 G CA 1.949 46.835 45.100 -0.357 0.000 0.763 160 G HN 0.456 nan 8.290 nan 0.000 0.561 161 S N -0.636 115.041 115.700 -0.038 0.000 2.507 161 S HA 0.010 4.483 4.470 0.005 0.000 0.235 161 S C 2.015 176.596 174.600 -0.031 0.000 0.988 161 S CA 1.409 59.629 58.200 0.033 0.000 0.944 161 S CB -0.014 63.266 63.200 0.133 0.000 0.762 161 S HN 0.551 nan 8.310 nan 0.000 0.526 162 Q N -0.133 119.570 119.800 -0.162 0.000 2.394 162 Q HA 0.440 4.784 4.340 0.005 0.000 0.218 162 Q C 2.150 177.937 176.000 -0.356 0.000 0.907 162 Q CA 0.665 56.355 55.803 -0.187 0.000 0.919 162 Q CB 0.031 28.688 28.738 -0.134 0.000 1.051 162 Q HN 0.677 nan 8.270 nan 0.000 0.538 163 A N -0.286 122.102 122.820 -0.721 0.000 2.195 163 A HA 0.195 4.518 4.320 0.005 0.000 0.210 163 A C 0.013 176.916 177.584 -1.135 0.000 1.165 163 A CA 0.251 51.693 52.037 -0.992 0.000 0.806 163 A CB 0.271 18.276 19.000 -1.658 0.000 0.847 163 A HN 0.175 nan 8.150 nan 0.000 0.482 164 F N -0.454 119.220 119.950 -0.461 0.000 2.495 164 F HA 0.433 4.963 4.527 0.006 0.000 0.327 164 F C 0.533 176.188 175.800 -0.243 0.000 1.103 164 F CA -0.858 56.895 58.000 -0.412 0.000 0.949 164 F CB 1.078 39.874 39.000 -0.340 0.000 1.142 164 F HN 0.149 nan 8.300 nan 0.000 0.457 165 H N 1.813 120.887 119.070 0.007 0.000 2.757 165 H HA 0.133 4.693 4.556 0.005 0.000 0.370 165 H C 0.267 175.614 175.328 0.031 0.000 1.172 165 H CA -0.074 55.972 56.048 -0.004 0.000 1.426 165 H CB 0.357 30.108 29.762 -0.018 0.000 1.438 165 H HN 0.593 nan 8.280 nan 0.000 0.612 166 N N 0.252 119.056 118.700 0.174 0.000 2.741 166 N HA -0.178 4.566 4.740 0.005 0.000 0.251 166 N C -1.058 174.518 175.510 0.110 0.000 1.112 166 N CA 0.987 54.110 53.050 0.121 0.000 0.750 166 N CB -0.747 37.812 38.487 0.119 0.000 1.119 166 N HN 0.591 nan 8.380 nan 0.000 0.561 167 M N 0.709 120.374 119.600 0.108 0.000 2.066 167 M HA 0.257 4.740 4.480 0.005 0.000 0.340 167 M C 0.542 176.898 176.300 0.093 0.000 1.053 167 M CA -0.351 55.011 55.300 0.102 0.000 0.983 167 M CB 2.278 34.944 32.600 0.110 0.000 1.520 167 M HN 0.023 nan 8.290 nan 0.000 0.428 168 R N 3.838 124.389 120.500 0.086 0.000 2.460 168 R HA 0.737 5.081 4.340 0.005 0.000 0.303 168 R C -1.461 174.878 176.300 0.066 0.000 0.968 168 R CA -0.420 55.728 56.100 0.081 0.000 0.889 168 R CB 1.264 31.611 30.300 0.077 0.000 1.123 168 R HN 0.767 nan 8.270 nan 0.000 0.455 169 I N 5.214 125.815 120.570 0.052 0.000 2.404 169 I HA 0.294 4.467 4.170 0.005 0.000 0.293 169 I C -0.224 175.812 176.117 -0.134 0.000 0.992 169 I CA -1.121 60.158 61.300 -0.034 0.000 1.149 169 I CB 1.867 39.853 38.000 -0.023 0.000 1.315 169 I HN 0.507 nan 8.210 nan 0.000 0.446 170 I N 8.274 128.747 120.570 -0.161 0.000 2.304 170 I HA 0.297 4.471 4.170 0.005 0.000 0.291 170 I C -1.978 173.888 176.117 -0.418 0.000 1.018 170 I CA -2.591 58.588 61.300 -0.201 0.000 1.260 170 I CB 0.569 38.526 38.000 -0.070 0.000 1.390 170 I HN 0.217 nan 8.210 nan 0.000 0.475 171 P HA 0.272 nan 4.420 nan 0.000 0.274 171 P C -2.697 174.304 177.300 -0.499 0.000 1.256 171 P CA -1.645 60.916 63.100 -0.898 0.000 0.795 171 P CB -0.474 30.739 31.700 -0.812 0.000 1.038 172 P HA 0.004 nan 4.420 nan 0.000 0.266 172 P C 0.992 178.266 177.300 -0.043 0.000 1.193 172 P CA 1.479 64.470 63.100 -0.182 0.000 0.770 172 P CB -0.322 31.338 31.700 -0.066 0.000 0.836 173 G N 1.325 110.140 108.800 0.024 0.000 2.143 173 G HA2 -0.267 3.696 3.960 0.005 0.000 0.249 173 G HA3 -0.267 3.696 3.960 0.005 0.000 0.249 173 G C 0.900 175.763 174.900 -0.062 0.000 0.981 173 G CA 0.451 45.591 45.100 0.067 0.000 0.665 173 G HN 0.483 nan 8.290 nan 0.000 0.528 174 S N -0.399 115.239 115.700 -0.105 0.000 2.511 174 S HA 0.535 5.008 4.470 0.005 0.000 0.214 174 S C 1.405 175.918 174.600 -0.145 0.000 0.997 174 S CA 1.189 59.275 58.200 -0.190 0.000 0.908 174 S CB 0.752 63.853 63.200 -0.164 0.000 0.803 174 S HN 2.243 nan 8.310 nan 0.000 0.504 175 G N 1.188 109.982 108.800 -0.010 0.000 2.352 175 G HA2 -0.021 3.943 3.960 0.005 0.000 0.324 175 G HA3 -0.021 3.943 3.960 0.005 0.000 0.324 175 G C -1.331 173.601 174.900 0.053 0.000 1.249 175 G CA -0.991 44.150 45.100 0.069 0.000 1.053 175 G HN 0.208 nan 8.290 nan 0.000 0.492 176 I N 1.151 121.760 120.570 0.064 0.000 2.460 176 I HA 0.393 4.566 4.170 0.005 0.000 0.298 176 I C 1.961 178.085 176.117 0.013 0.000 0.989 176 I CA -0.697 60.617 61.300 0.024 0.000 1.173 176 I CB 1.763 39.778 38.000 0.024 0.000 1.338 176 I HN 0.755 nan 8.210 nan 0.000 0.456 177 I N 4.780 125.309 120.570 -0.068 0.000 2.130 177 I HA -0.431 3.742 4.170 0.005 0.000 0.241 177 I C 2.254 178.317 176.117 -0.091 0.000 1.023 177 I CA 2.159 63.374 61.300 -0.142 0.000 1.293 177 I CB -0.056 37.761 38.000 -0.304 0.000 1.001 177 I HN 0.696 nan 8.210 nan 0.000 0.407 178 H N -0.193 118.958 119.070 0.135 0.000 2.462 178 H HA -0.134 4.425 4.556 0.006 0.000 0.292 178 H C 2.078 177.483 175.328 0.129 0.000 1.049 178 H CA 1.568 57.692 56.048 0.128 0.000 1.334 178 H CB -0.421 29.417 29.762 0.126 0.000 1.404 178 H HN 0.593 nan 8.280 nan 0.000 0.544 179 Q N 0.836 120.766 119.800 0.217 0.000 2.049 179 Q HA -0.076 4.267 4.340 0.005 0.000 0.198 179 Q C 2.305 178.449 176.000 0.240 0.000 0.971 179 Q CA 1.165 57.100 55.803 0.220 0.000 0.833 179 Q CB 0.208 29.067 28.738 0.202 0.000 0.896 179 Q HN 0.138 nan 8.270 nan 0.000 0.434 180 V N 1.808 121.853 119.914 0.217 0.000 2.392 180 V HA -0.263 3.861 4.120 0.005 0.000 0.249 180 V C 2.176 178.376 176.094 0.178 0.000 1.059 180 V CA 1.865 64.306 62.300 0.235 0.000 1.051 180 V CB -0.862 31.091 31.823 0.217 0.000 0.658 180 V HN 0.464 nan 8.190 nan 0.000 0.455 181 N N 0.415 119.213 118.700 0.164 0.000 2.084 181 N HA -0.138 4.605 4.740 0.005 0.000 0.190 181 N C 1.699 177.285 175.510 0.127 0.000 1.030 181 N CA 1.716 54.851 53.050 0.142 0.000 0.849 181 N CB -0.343 38.255 38.487 0.185 0.000 1.012 181 N HN 0.434 nan 8.380 nan 0.000 0.423 182 L N 0.369 121.692 121.223 0.167 0.000 2.017 182 L HA -0.095 4.248 4.340 0.005 0.000 0.208 182 L C 1.925 178.933 176.870 0.230 0.000 1.073 182 L CA 1.310 56.262 54.840 0.187 0.000 0.745 182 L CB -0.247 41.925 42.059 0.189 0.000 0.894 182 L HN 0.262 nan 8.230 nan 0.000 0.432 183 E N -2.411 117.906 120.200 0.196 0.000 2.385 183 E HA -0.122 4.231 4.350 0.005 0.000 0.194 183 E C 0.985 177.501 176.600 -0.140 0.000 1.013 183 E CA 0.606 57.070 56.400 0.106 0.000 0.866 183 E CB 0.418 30.328 29.700 0.351 0.000 0.832 183 E HN 0.460 nan 8.360 nan 0.000 0.500 184 Y N -0.719 119.380 120.300 -0.335 0.000 2.965 184 Y HA 0.202 4.756 4.550 0.005 0.000 0.242 184 Y C 1.392 177.174 175.900 -0.196 0.000 1.078 184 Y CA 0.016 57.853 58.100 -0.439 0.000 1.288 184 Y CB 0.125 38.075 38.460 -0.850 0.000 1.459 184 Y HN -0.163 nan 8.280 nan 0.000 0.438 185 L N 1.313 122.413 121.223 -0.205 0.000 2.156 185 L HA 0.177 4.521 4.340 0.005 0.000 0.208 185 L C 1.270 178.039 176.870 -0.169 0.000 1.095 185 L CA 0.502 55.199 54.840 -0.239 0.000 0.770 185 L CB -0.724 41.319 42.059 -0.027 0.000 0.914 185 L HN 0.239 nan 8.230 nan 0.000 0.439 186 A N 0.068 122.842 122.820 -0.076 0.000 2.511 186 A HA 0.096 4.420 4.320 0.005 0.000 0.242 186 A C 0.994 178.526 177.584 -0.086 0.000 1.069 186 A CA -0.028 51.996 52.037 -0.021 0.000 0.763 186 A CB 0.304 19.330 19.000 0.043 0.000 1.001 186 A HN 0.209 nan 8.150 nan 0.000 0.498 187 R N 1.228 121.683 120.500 -0.075 0.000 2.156 187 R HA 0.215 4.559 4.340 0.005 0.000 0.207 187 R C 1.388 177.672 176.300 -0.028 0.000 1.040 187 R CA 1.321 57.327 56.100 -0.156 0.000 1.013 187 R CB -0.303 29.751 30.300 -0.409 0.000 0.931 187 R HN 0.832 nan 8.270 nan 0.000 0.465 188 V N -1.997 117.964 119.914 0.079 0.000 0.489 188 V HA -0.313 3.811 4.120 0.005 0.000 0.092 188 V C 0.133 176.359 176.094 0.219 0.000 2.367 188 V CA 1.829 64.220 62.300 0.151 0.000 3.630 188 V CB -1.243 30.648 31.823 0.114 0.000 0.914 188 V HN 0.084 nan 8.190 nan 0.000 0.957 189 V N 0.314 120.335 119.914 0.177 0.000 2.577 189 V HA 0.645 4.768 4.120 0.005 0.000 0.303 189 V C -0.634 175.531 176.094 0.119 0.000 1.042 189 V CA -0.473 61.948 62.300 0.203 0.000 0.872 189 V CB 1.729 33.698 31.823 0.243 0.000 0.998 189 V HN 0.287 nan 8.190 nan 0.000 0.423 190 F N 2.725 122.523 119.950 -0.253 0.000 2.389 190 F HA 0.448 4.978 4.527 0.005 0.000 0.337 190 F C 0.560 176.116 175.800 -0.405 0.000 1.112 190 F CA -0.110 57.616 58.000 -0.457 0.000 1.192 190 F CB 1.044 39.369 39.000 -1.126 0.000 1.185 190 F HN 0.511 nan 8.300 nan 0.000 0.552 191 D N 2.994 123.289 120.400 -0.175 0.000 2.412 191 D HA 0.164 4.808 4.640 0.005 0.000 0.276 191 D C -1.320 174.897 176.300 -0.139 0.000 1.196 191 D CA -0.387 53.451 54.000 -0.271 0.000 0.905 191 D CB 0.318 40.909 40.800 -0.348 0.000 1.081 191 D HN 0.382 nan 8.370 nan 0.000 0.502 192 Q N 1.868 121.659 119.800 -0.015 0.000 2.330 192 Q HA 0.390 4.733 4.340 0.005 0.000 0.269 192 Q C -0.617 175.474 176.000 0.152 0.000 1.022 192 Q CA -0.361 55.523 55.803 0.135 0.000 0.796 192 Q CB 1.095 30.036 28.738 0.339 0.000 1.271 192 Q HN 0.215 nan 8.270 nan 0.000 0.450 193 D N 3.780 124.233 120.400 0.089 0.000 2.733 193 D HA -0.222 4.421 4.640 0.005 0.000 0.232 193 D C 0.488 176.849 176.300 0.102 0.000 1.161 193 D CA 2.020 56.077 54.000 0.096 0.000 0.653 193 D CB -1.126 39.755 40.800 0.135 0.000 1.052 193 D HN 1.052 nan 8.370 nan 0.000 0.424 194 G N -1.599 107.169 108.800 -0.053 0.000 2.141 194 G HA2 -0.315 3.648 3.960 0.005 0.000 0.231 194 G HA3 -0.315 3.648 3.960 0.005 0.000 0.231 194 G C -0.161 174.470 174.900 -0.448 0.000 0.984 194 G CA 0.064 45.019 45.100 -0.242 0.000 0.660 194 G HN 0.426 nan 8.290 nan 0.000 0.525 195 Y N -0.466 119.745 120.300 -0.150 0.000 2.361 195 Y HA 0.636 5.189 4.550 0.005 0.000 0.337 195 Y C 0.013 175.845 175.900 -0.114 0.000 0.965 195 Y CA -1.303 56.779 58.100 -0.030 0.000 1.091 195 Y CB 1.308 39.901 38.460 0.223 0.000 1.182 195 Y HN 0.144 nan 8.280 nan 0.000 0.450 196 Y N 3.643 124.005 120.300 0.103 0.000 2.299 196 Y HA 0.447 5.001 4.550 0.005 0.000 0.326 196 Y C -0.369 175.488 175.900 -0.072 0.000 1.164 196 Y CA -0.903 57.068 58.100 -0.216 0.000 1.234 196 Y CB 0.567 38.721 38.460 -0.511 0.000 1.219 196 Y HN 0.528 nan 8.280 nan 0.000 0.497 197 Y N -0.038 120.232 120.300 -0.050 0.000 2.656 197 Y HA 0.676 5.229 4.550 0.005 0.000 0.334 197 Y C -3.429 172.554 175.900 0.138 0.000 1.179 197 Y CA -3.751 54.362 58.100 0.021 0.000 1.050 197 Y CB 0.703 39.252 38.460 0.149 0.000 1.308 197 Y HN 0.254 nan 8.280 nan 0.000 0.456 198 P HA 0.049 nan 4.420 nan 0.000 0.268 198 P C -0.625 176.926 177.300 0.419 0.000 1.205 198 P CA 0.219 63.588 63.100 0.449 0.000 0.771 198 P CB 0.598 32.579 31.700 0.468 0.000 0.858 199 D N 1.508 122.160 120.400 0.420 0.000 2.455 199 D HA 0.251 4.894 4.640 0.005 0.000 0.241 199 D C -0.310 176.180 176.300 0.315 0.000 1.138 199 D CA 0.773 55.037 54.000 0.440 0.000 0.877 199 D CB 0.194 41.224 40.800 0.384 0.000 1.187 199 D HN 0.370 nan 8.370 nan 0.000 0.451 200 S N 2.237 118.073 115.700 0.227 0.000 2.588 200 S HA 0.788 5.261 4.470 0.005 0.000 0.269 200 S C -0.919 173.705 174.600 0.039 0.000 1.157 200 S CA -0.917 57.387 58.200 0.174 0.000 0.824 200 S CB 0.967 64.333 63.200 0.277 0.000 1.126 200 S HN 0.659 nan 8.310 nan 0.000 0.464 201 L N -1.377 119.812 121.223 -0.057 0.000 2.869 201 L HA 0.944 5.287 4.340 0.005 0.000 0.265 201 L C -1.377 175.319 176.870 -0.291 0.000 1.011 201 L CA -1.318 53.443 54.840 -0.132 0.000 0.913 201 L CB 1.254 43.312 42.059 -0.003 0.000 1.490 201 L HN 0.963 nan 8.230 nan 0.000 0.410 202 V N -2.060 117.706 119.914 -0.246 0.000 2.864 202 V HA 1.080 5.203 4.120 0.005 0.000 0.314 202 V C 0.056 176.122 176.094 -0.047 0.000 1.073 202 V CA 0.211 62.372 62.300 -0.231 0.000 0.956 202 V CB 1.257 32.944 31.823 -0.227 0.000 1.023 202 V HN 1.206 nan 8.190 nan 0.000 0.435 203 G N 0.261 109.081 108.800 0.033 0.000 2.612 203 G HA2 0.575 4.538 3.960 0.005 0.000 0.298 203 G HA3 0.575 4.538 3.960 0.005 0.000 0.298 203 G C -0.097 174.867 174.900 0.106 0.000 1.336 203 G CA -0.039 45.114 45.100 0.089 0.000 0.953 203 G HN 1.330 nan 8.290 nan 0.000 0.482 204 T N -0.960 113.647 114.554 0.088 0.000 4.099 204 T HA 0.389 4.742 4.350 0.005 0.000 0.223 204 T C -0.277 174.489 174.700 0.110 0.000 0.968 204 T CA -0.347 61.799 62.100 0.077 0.000 0.966 204 T CB -0.293 68.598 68.868 0.038 0.000 1.328 204 T HN 0.477 nan 8.240 nan 0.000 0.783 205 D N 0.650 121.145 120.400 0.159 0.000 2.812 205 D HA 0.068 4.712 4.640 0.005 0.000 0.210 205 D C 0.938 177.348 176.300 0.184 0.000 1.260 205 D CA -0.144 53.981 54.000 0.209 0.000 0.817 205 D CB 2.034 43.023 40.800 0.315 0.000 1.694 205 D HN 0.283 nan 8.370 nan 0.000 0.530 206 S N 2.284 118.033 115.700 0.082 0.000 2.440 206 S HA -0.197 4.276 4.470 0.005 0.000 0.238 206 S C 1.036 175.522 174.600 -0.190 0.000 1.010 206 S CA 1.149 59.305 58.200 -0.073 0.000 0.972 206 S CB -0.421 62.667 63.200 -0.186 0.000 0.774 206 S HN 0.617 nan 8.310 nan 0.000 0.501 207 H N 0.548 119.672 119.070 0.090 0.000 2.519 207 H HA 0.310 4.869 4.556 0.005 0.000 0.289 207 H C 1.496 176.477 175.328 -0.578 0.000 1.040 207 H CA 0.469 56.433 56.048 -0.140 0.000 1.165 207 H CB -0.024 29.704 29.762 -0.057 0.000 1.462 207 H HN 0.341 nan 8.280 nan 0.000 0.555 208 T N -0.313 114.137 114.554 -0.174 0.000 2.849 208 T HA -0.203 4.150 4.350 0.005 0.000 0.270 208 T C 2.272 176.953 174.700 -0.031 0.000 1.066 208 T CA 1.830 63.895 62.100 -0.059 0.000 1.130 208 T CB -0.316 68.657 68.868 0.174 0.000 0.864 208 T HN 0.665 nan 8.240 nan 0.000 0.481 209 T N 0.618 115.187 114.554 0.025 0.000 2.946 209 T HA -0.099 4.254 4.350 0.005 0.000 0.271 209 T C 1.824 176.565 174.700 0.068 0.000 1.104 209 T CA 1.003 63.164 62.100 0.102 0.000 1.114 209 T CB -0.648 68.289 68.868 0.115 0.000 0.867 209 T HN 0.340 nan 8.240 nan 0.000 0.513 210 M N 0.182 119.761 119.600 -0.034 0.000 2.146 210 M HA -0.124 4.359 4.480 0.005 0.000 0.256 210 M C 1.986 178.294 176.300 0.013 0.000 1.075 210 M CA 1.693 56.978 55.300 -0.025 0.000 1.082 210 M CB -0.394 32.158 32.600 -0.079 0.000 1.355 210 M HN 0.307 nan 8.290 nan 0.000 0.402 211 I N 0.993 121.592 120.570 0.048 0.000 2.756 211 I HA -0.222 3.951 4.170 0.005 0.000 0.262 211 I C 1.072 177.237 176.117 0.081 0.000 1.225 211 I CA 1.457 62.801 61.300 0.073 0.000 1.472 211 I CB -0.656 37.415 38.000 0.119 0.000 1.094 211 I HN 0.280 nan 8.210 nan 0.000 0.454 212 D N 0.275 120.754 120.400 0.133 0.000 2.309 212 D HA -0.102 4.541 4.640 0.005 0.000 0.212 212 D C 2.240 178.585 176.300 0.075 0.000 0.968 212 D CA 1.164 55.276 54.000 0.187 0.000 0.882 212 D CB -0.531 40.458 40.800 0.315 0.000 0.918 212 D HN 0.468 nan 8.370 nan 0.000 0.503 213 G N 0.171 108.970 108.800 -0.002 0.000 2.471 213 G HA2 -0.163 3.800 3.960 0.005 0.000 0.219 213 G HA3 -0.163 3.800 3.960 0.005 0.000 0.219 213 G C 1.270 176.009 174.900 -0.269 0.000 1.125 213 G CA 0.082 45.042 45.100 -0.234 0.000 0.775 213 G HN 0.261 nan 8.290 nan 0.000 0.548 214 L N 0.305 121.429 121.223 -0.165 0.000 2.607 214 L HA 0.427 4.770 4.340 0.005 0.000 0.228 214 L C 1.711 178.537 176.870 -0.074 0.000 1.123 214 L CA 0.820 55.576 54.840 -0.139 0.000 0.890 214 L CB -0.038 41.965 42.059 -0.093 0.000 1.103 214 L HN 0.323 nan 8.230 nan 0.000 0.468 215 G N 0.421 109.128 108.800 -0.155 0.000 2.136 215 G HA2 -0.267 3.696 3.960 0.005 0.000 0.242 215 G HA3 -0.267 3.696 3.960 0.005 0.000 0.242 215 G C 0.238 175.222 174.900 0.140 0.000 0.989 215 G CA 0.327 45.272 45.100 -0.258 0.000 0.682 215 G HN 0.326 nan 8.290 nan 0.000 0.522 216 I N 0.751 121.449 120.570 0.213 0.000 2.312 216 I HA 0.355 4.528 4.170 0.005 0.000 0.290 216 I C 0.567 176.962 176.117 0.463 0.000 1.008 216 I CA -1.057 60.449 61.300 0.344 0.000 1.226 216 I CB 1.433 39.568 38.000 0.225 0.000 1.371 216 I HN 0.058 nan 8.210 nan 0.000 0.468 217 L N 7.359 128.887 121.223 0.509 0.000 2.600 217 L HA 0.439 4.782 4.340 0.005 0.000 0.278 217 L C 0.411 177.372 176.870 0.152 0.000 1.139 217 L CA 0.721 55.743 54.840 0.304 0.000 0.933 217 L CB -0.499 41.583 42.059 0.038 0.000 1.266 217 L HN 0.675 nan 8.230 nan 0.000 0.471 218 G N 3.710 112.608 108.800 0.163 0.000 2.667 218 G HA2 0.656 4.619 3.960 0.005 0.000 0.298 218 G HA3 0.656 4.619 3.960 0.005 0.000 0.298 218 G C -2.042 172.965 174.900 0.179 0.000 1.377 218 G CA -0.391 44.718 45.100 0.015 0.000 0.964 218 G HN 0.716 nan 8.290 nan 0.000 0.493 219 W N 0.063 121.433 121.300 0.116 0.000 2.923 219 W HA 0.776 5.440 4.660 0.005 0.000 0.373 219 W C -0.005 176.566 176.519 0.087 0.000 1.205 219 W CA -1.498 55.895 57.345 0.080 0.000 1.180 219 W CB 0.675 30.178 29.460 0.072 0.000 1.477 219 W HN 0.936 nan 8.180 nan 0.000 0.581 220 G N 0.736 109.804 108.800 0.447 0.000 2.377 220 G HA2 0.660 4.624 3.960 0.005 0.000 0.299 220 G HA3 0.660 4.624 3.960 0.005 0.000 0.299 220 G C -1.015 174.090 174.900 0.343 0.000 1.150 220 G CA -0.246 45.023 45.100 0.281 0.000 0.847 220 G HN 1.490 nan 8.290 nan 0.000 0.501 221 V N -0.522 119.525 119.914 0.223 0.000 3.159 221 V HA 0.950 5.073 4.120 0.005 0.000 0.308 221 V C 0.553 176.707 176.094 0.100 0.000 1.190 221 V CA -0.510 61.902 62.300 0.188 0.000 1.037 221 V CB 1.317 33.256 31.823 0.193 0.000 1.060 221 V HN 1.154 nan 8.190 nan 0.000 0.437 222 G N 0.451 109.288 108.800 0.061 0.000 2.594 222 G HA2 0.442 4.405 3.960 0.005 0.000 0.243 222 G HA3 0.442 4.405 3.960 0.005 0.000 0.243 222 G C 1.027 175.910 174.900 -0.030 0.000 1.229 222 G CA 0.048 45.154 45.100 0.008 0.000 0.843 222 G HN 1.648 nan 8.290 nan 0.000 0.578 223 G N 0.687 109.449 108.800 -0.063 0.000 2.476 223 G HA2 -0.273 3.690 3.960 0.005 0.000 0.218 223 G HA3 -0.273 3.690 3.960 0.005 0.000 0.218 223 G C 1.731 176.538 174.900 -0.156 0.000 1.164 223 G CA 1.362 46.398 45.100 -0.107 0.000 0.768 223 G HN 0.883 nan 8.290 nan 0.000 0.560 224 I N -1.027 119.435 120.570 -0.179 0.000 2.264 224 I HA -0.087 4.086 4.170 0.005 0.000 0.248 224 I C 2.351 178.378 176.117 -0.150 0.000 1.111 224 I CA 2.360 63.543 61.300 -0.194 0.000 1.382 224 I CB -0.476 37.374 38.000 -0.249 0.000 1.060 224 I HN 0.323 nan 8.210 nan 0.000 0.418 225 E N 1.833 121.972 120.200 -0.103 0.000 2.072 225 E HA -0.168 4.186 4.350 0.005 0.000 0.191 225 E C 2.335 178.916 176.600 -0.031 0.000 0.985 225 E CA 1.279 57.648 56.400 -0.051 0.000 0.801 225 E CB -0.101 29.611 29.700 0.020 0.000 0.750 225 E HN 0.598 nan 8.360 nan 0.000 0.452 226 A N 1.016 123.813 122.820 -0.038 0.000 1.902 226 A HA -0.244 4.079 4.320 0.005 0.000 0.217 226 A C 1.904 179.459 177.584 -0.049 0.000 1.181 226 A CA 1.788 53.802 52.037 -0.038 0.000 0.623 226 A CB -0.585 18.390 19.000 -0.040 0.000 0.818 226 A HN 0.344 nan 8.150 nan 0.000 0.443 227 E N -0.162 119.960 120.200 -0.130 0.000 2.070 227 E HA -0.157 4.196 4.350 0.005 0.000 0.197 227 E C 2.306 178.958 176.600 0.086 0.000 1.004 227 E CA 1.374 57.689 56.400 -0.141 0.000 0.805 227 E CB -0.337 29.154 29.700 -0.348 0.000 0.744 227 E HN 0.630 nan 8.360 nan 0.000 0.451 228 A N 0.625 123.456 122.820 0.019 0.000 1.902 228 A HA -0.148 4.176 4.320 0.005 0.000 0.217 228 A C 2.508 180.128 177.584 0.060 0.000 1.181 228 A CA 1.257 53.320 52.037 0.043 0.000 0.623 228 A CB -0.701 18.289 19.000 -0.017 0.000 0.818 228 A HN 0.134 nan 8.150 nan 0.000 0.443 229 V N 0.086 120.020 119.914 0.033 0.000 2.287 229 V HA -0.343 3.780 4.120 0.005 0.000 0.248 229 V C 2.645 178.752 176.094 0.022 0.000 1.053 229 V CA 2.328 64.633 62.300 0.008 0.000 1.027 229 V CB -0.722 31.082 31.823 -0.032 0.000 0.646 229 V HN 0.584 nan 8.190 nan 0.000 0.447 230 M N -0.826 118.817 119.600 0.072 0.000 2.267 230 M HA -0.160 4.324 4.480 0.005 0.000 0.263 230 M C 1.821 178.177 176.300 0.093 0.000 1.063 230 M CA 1.728 57.097 55.300 0.116 0.000 1.090 230 M CB -0.345 32.409 32.600 0.257 0.000 1.392 230 M HN 0.294 nan 8.290 nan 0.000 0.422 231 L N -1.072 120.213 121.223 0.103 0.000 2.591 231 L HA 0.159 4.503 4.340 0.005 0.000 0.228 231 L C 1.367 178.257 176.870 0.034 0.000 1.133 231 L CA 0.332 55.203 54.840 0.051 0.000 0.880 231 L CB -0.170 41.929 42.059 0.067 0.000 1.033 231 L HN 0.590 nan 8.230 nan 0.000 0.450 232 G N -0.349 108.469 108.800 0.030 0.000 2.184 232 G HA2 -0.261 3.702 3.960 0.005 0.000 0.206 232 G HA3 -0.261 3.702 3.960 0.005 0.000 0.206 232 G C 0.175 175.093 174.900 0.031 0.000 0.995 232 G CA -0.291 44.819 45.100 0.017 0.000 0.651 232 G HN 0.304 nan 8.290 nan 0.000 0.511 233 Q N 1.797 121.632 119.800 0.057 0.000 2.297 233 Q HA 0.529 4.872 4.340 0.005 0.000 0.267 233 Q C -2.196 173.834 176.000 0.051 0.000 1.006 233 Q CA -1.470 54.388 55.803 0.092 0.000 0.896 233 Q CB 0.756 29.588 28.738 0.158 0.000 1.186 233 Q HN 0.280 nan 8.270 nan 0.000 0.392 234 P HA 0.034 nan 4.420 nan 0.000 0.269 234 P C -0.631 176.717 177.300 0.079 0.000 1.209 234 P CA 0.073 63.185 63.100 0.021 0.000 0.776 234 P CB 0.461 32.174 31.700 0.021 0.000 0.876 235 I N 1.031 121.651 120.570 0.084 0.000 2.710 235 I HA 0.016 4.189 4.170 0.005 0.000 0.286 235 I C 1.007 177.244 176.117 0.200 0.000 1.181 235 I CA 0.767 62.181 61.300 0.189 0.000 1.430 235 I CB 0.269 38.451 38.000 0.304 0.000 1.367 235 I HN 0.261 nan 8.210 nan 0.000 0.577 236 S N 8.238 124.047 115.700 0.181 0.000 2.456 236 S HA 0.782 5.255 4.470 0.005 0.000 0.316 236 S C -0.521 174.150 174.600 0.118 0.000 1.089 236 S CA -0.836 57.431 58.200 0.111 0.000 1.101 236 S CB 0.388 63.603 63.200 0.026 0.000 0.995 236 S HN 0.546 nan 8.310 nan 0.000 0.468 237 M N 3.131 122.789 119.600 0.096 0.000 2.531 237 M HA 0.609 5.093 4.480 0.005 0.000 0.286 237 M C -1.399 174.900 176.300 -0.001 0.000 1.232 237 M CA -1.075 54.258 55.300 0.054 0.000 0.877 237 M CB 1.500 34.150 32.600 0.083 0.000 1.726 237 M HN 0.168 nan 8.290 nan 0.000 0.463 238 V N 2.744 122.636 119.914 -0.036 0.000 2.572 238 V HA 0.067 4.190 4.120 0.005 0.000 0.291 238 V C 0.220 176.255 176.094 -0.098 0.000 1.039 238 V CA -0.418 61.845 62.300 -0.062 0.000 1.055 238 V CB 0.970 32.752 31.823 -0.069 0.000 0.969 238 V HN 0.737 nan 8.190 nan 0.000 0.482 239 L N 10.060 131.230 121.223 -0.087 0.000 2.584 239 L HA 0.267 4.610 4.340 0.005 0.000 0.272 239 L C -1.884 174.896 176.870 -0.150 0.000 1.195 239 L CA -0.557 54.227 54.840 -0.094 0.000 0.920 239 L CB 0.258 42.300 42.059 -0.029 0.000 1.173 239 L HN 0.473 nan 8.230 nan 0.000 0.489 240 P HA 0.154 nan 4.420 nan 0.000 0.284 240 P C -1.174 176.078 177.300 -0.080 0.000 1.253 240 P CA -0.569 62.341 63.100 -0.317 0.000 0.800 240 P CB 0.778 31.991 31.700 -0.812 0.000 0.961 241 Q N 0.470 120.214 119.800 -0.093 0.000 2.432 241 Q HA 0.278 4.621 4.340 0.005 0.000 0.264 241 Q C -0.414 175.681 176.000 0.159 0.000 1.035 241 Q CA -0.081 55.736 55.803 0.023 0.000 0.908 241 Q CB 0.519 29.223 28.738 -0.056 0.000 1.280 241 Q HN 0.251 nan 8.270 nan 0.000 0.455 242 V N 3.794 123.937 119.914 0.382 0.000 2.407 242 V HA 0.253 4.376 4.120 0.005 0.000 0.291 242 V C -0.492 175.761 176.094 0.265 0.000 1.018 242 V CA -0.784 61.715 62.300 0.331 0.000 0.842 242 V CB 1.372 33.410 31.823 0.358 0.000 0.996 242 V HN 0.604 nan 8.190 nan 0.000 0.426 243 I N 4.041 124.672 120.570 0.100 0.000 2.371 243 I HA 0.363 4.536 4.170 0.005 0.000 0.290 243 I C 1.084 177.049 176.117 -0.254 0.000 1.028 243 I CA 0.151 61.444 61.300 -0.012 0.000 1.345 243 I CB 1.067 39.052 38.000 -0.025 0.000 1.407 243 I HN 0.693 nan 8.210 nan 0.000 0.501 244 G N 6.217 114.766 108.800 -0.418 0.000 2.333 244 G HA2 0.227 4.190 3.960 0.005 0.000 0.290 244 G HA3 0.227 4.190 3.960 0.005 0.000 0.290 244 G C -1.081 173.696 174.900 -0.205 0.000 1.150 244 G CA -0.235 44.286 45.100 -0.965 0.000 0.895 244 G HN 0.541 nan 8.290 nan 0.000 0.444 245 Y N 3.350 123.435 120.300 -0.358 0.000 2.504 245 Y HA 0.397 4.950 4.550 0.005 0.000 0.339 245 Y C 0.867 176.653 175.900 -0.190 0.000 0.974 245 Y CA -0.892 57.012 58.100 -0.326 0.000 1.232 245 Y CB 0.674 38.677 38.460 -0.762 0.000 1.108 245 Y HN 0.493 nan 8.280 nan 0.000 0.509 246 R N 6.624 126.886 120.500 -0.397 0.000 2.234 246 R HA 0.422 4.766 4.340 0.005 0.000 0.324 246 R C -1.390 174.687 176.300 -0.372 0.000 1.054 246 R CA -0.305 55.352 56.100 -0.739 0.000 0.912 246 R CB 0.359 30.177 30.300 -0.803 0.000 1.030 246 R HN 0.723 nan 8.270 nan 0.000 0.455 247 L N 6.663 127.752 121.223 -0.224 0.000 2.309 247 L HA 0.536 4.879 4.340 0.005 0.000 0.282 247 L C 0.142 176.942 176.870 -0.116 0.000 1.036 247 L CA -0.632 54.166 54.840 -0.070 0.000 0.806 247 L CB 1.513 43.600 42.059 0.046 0.000 1.220 247 L HN 0.647 nan 8.230 nan 0.000 0.429 248 M N 1.399 120.953 119.600 -0.078 0.000 2.618 248 M HA 0.886 5.369 4.480 0.005 0.000 0.281 248 M C 0.019 176.297 176.300 -0.036 0.000 1.267 248 M CA -0.266 54.995 55.300 -0.066 0.000 0.845 248 M CB 2.334 34.886 32.600 -0.080 0.000 1.732 248 M HN 0.635 nan 8.290 nan 0.000 0.461 249 G N 1.936 110.720 108.800 -0.027 0.000 2.693 249 G HA2 -0.129 3.834 3.960 0.005 0.000 0.226 249 G HA3 -0.129 3.834 3.960 0.005 0.000 0.226 249 G C -1.442 173.451 174.900 -0.012 0.000 1.354 249 G CA -0.414 44.677 45.100 -0.016 0.000 0.873 249 G HN 0.960 nan 8.290 nan 0.000 0.562 250 K N 1.342 121.739 120.400 -0.005 0.000 2.378 250 K HA 0.585 4.908 4.320 0.005 0.000 0.252 250 K C -2.518 174.087 176.600 0.009 0.000 0.931 250 K CA -1.652 54.632 56.287 -0.005 0.000 0.794 250 K CB 2.961 35.455 32.500 -0.011 0.000 1.181 250 K HN 0.457 nan 8.250 nan 0.000 0.425 251 P HA -0.020 nan 4.420 nan 0.000 0.275 251 P C -0.841 176.488 177.300 0.048 0.000 1.227 251 P CA -0.143 62.977 63.100 0.035 0.000 0.781 251 P CB 0.579 32.293 31.700 0.024 0.000 0.906 252 H N 4.721 123.783 119.070 -0.012 0.000 2.897 252 H HA 0.024 4.583 4.556 0.005 0.000 0.347 252 H C -1.385 173.940 175.328 -0.004 0.000 1.068 252 H CA -0.876 55.163 56.048 -0.015 0.000 1.426 252 H CB 0.505 30.250 29.762 -0.027 0.000 1.410 252 H HN 0.198 nan 8.280 nan 0.000 0.597 253 P HA -0.125 nan 4.420 nan 0.000 0.224 253 P C 1.292 178.608 177.300 0.027 0.000 1.142 253 P CA 1.038 64.023 63.100 -0.191 0.000 0.778 253 P CB 0.125 31.658 31.700 -0.280 0.000 0.764 254 L N -2.541 118.798 121.223 0.193 0.000 2.477 254 L HA 0.063 4.406 4.340 0.005 0.000 0.220 254 L C 0.857 177.823 176.870 0.160 0.000 1.106 254 L CA -0.005 54.951 54.840 0.193 0.000 0.851 254 L CB -0.166 41.915 42.059 0.038 0.000 0.994 254 L HN -0.220 nan 8.230 nan 0.000 0.462 255 V N 0.894 120.895 119.914 0.145 0.000 2.740 255 V HA 0.062 4.185 4.120 0.005 0.000 0.303 255 V C 0.716 176.883 176.094 0.121 0.000 1.054 255 V CA 0.061 62.422 62.300 0.102 0.000 1.106 255 V CB 1.257 33.128 31.823 0.081 0.000 0.957 255 V HN 0.399 nan 8.190 nan 0.000 0.486 256 T N 0.301 114.925 114.554 0.118 0.000 2.950 256 T HA 0.339 4.692 4.350 0.005 0.000 0.288 256 T C 1.280 176.013 174.700 0.055 0.000 1.035 256 T CA 0.005 62.167 62.100 0.103 0.000 1.028 256 T CB 1.540 70.495 68.868 0.144 0.000 1.109 256 T HN 0.721 nan 8.240 nan 0.000 0.514 257 S N 1.098 116.813 115.700 0.025 0.000 2.380 257 S HA -0.219 4.254 4.470 0.005 0.000 0.229 257 S C 1.940 176.550 174.600 0.017 0.000 1.043 257 S CA 1.953 60.150 58.200 -0.004 0.000 1.038 257 S CB -1.831 61.350 63.200 -0.031 0.000 0.872 257 S HN 0.853 nan 8.310 nan 0.000 0.456 258 T N 2.614 117.192 114.554 0.040 0.000 2.684 258 T HA -0.137 4.216 4.350 0.005 0.000 0.267 258 T C 1.458 176.199 174.700 0.067 0.000 1.036 258 T CA 1.622 63.756 62.100 0.056 0.000 1.148 258 T CB -0.781 68.131 68.868 0.074 0.000 0.863 258 T HN 0.441 nan 8.240 nan 0.000 0.436 259 D N 1.168 121.612 120.400 0.074 0.000 2.133 259 D HA -0.074 4.569 4.640 0.005 0.000 0.195 259 D C 2.089 178.426 176.300 0.061 0.000 0.997 259 D CA 0.957 54.998 54.000 0.069 0.000 0.840 259 D CB -0.419 40.418 40.800 0.061 0.000 0.947 259 D HN 0.395 nan 8.370 nan 0.000 0.452 260 I N 0.418 121.018 120.570 0.050 0.000 2.202 260 I HA -0.199 3.974 4.170 0.005 0.000 0.242 260 I C 2.623 178.775 176.117 0.058 0.000 1.091 260 I CA 0.585 61.914 61.300 0.048 0.000 1.368 260 I CB -0.240 37.776 38.000 0.027 0.000 1.058 260 I HN -0.102 nan 8.210 nan 0.000 0.410 261 V N 0.798 120.744 119.914 0.055 0.000 2.427 261 V HA -0.224 3.900 4.120 0.005 0.000 0.248 261 V C 2.344 178.501 176.094 0.105 0.000 1.051 261 V CA 1.656 64.004 62.300 0.081 0.000 1.048 261 V CB -0.086 31.787 31.823 0.082 0.000 0.666 261 V HN 0.242 nan 8.190 nan 0.000 0.456 262 L N 0.204 121.482 121.223 0.093 0.000 2.046 262 L HA -0.109 4.234 4.340 0.005 0.000 0.208 262 L C 2.649 179.576 176.870 0.095 0.000 1.077 262 L CA 2.671 57.569 54.840 0.097 0.000 0.747 262 L CB -1.564 40.549 42.059 0.091 0.000 0.896 262 L HN 0.380 nan 8.230 nan 0.000 0.432 263 T N -0.315 114.290 114.554 0.085 0.000 2.652 263 T HA -0.203 4.150 4.350 0.005 0.000 0.267 263 T C 2.020 176.787 174.700 0.112 0.000 1.039 263 T CA 1.750 63.901 62.100 0.085 0.000 1.153 263 T CB -0.326 68.585 68.868 0.072 0.000 0.863 263 T HN 0.208 nan 8.240 nan 0.000 0.428 264 I N 1.023 121.648 120.570 0.093 0.000 2.286 264 I HA -0.185 3.988 4.170 0.005 0.000 0.248 264 I C 2.727 178.790 176.117 -0.091 0.000 1.115 264 I CA 1.079 62.388 61.300 0.014 0.000 1.392 264 I CB -0.663 37.259 38.000 -0.130 0.000 1.065 264 I HN 0.269 nan 8.210 nan 0.000 0.418 265 T N 0.705 115.285 114.554 0.044 0.000 2.652 265 T HA -0.257 4.096 4.350 0.005 0.000 0.267 265 T C 1.986 176.773 174.700 0.145 0.000 1.039 265 T CA 1.606 63.828 62.100 0.204 0.000 1.153 265 T CB -0.234 68.797 68.868 0.271 0.000 0.863 265 T HN 0.327 nan 8.240 nan 0.000 0.428 266 K N 0.288 120.764 120.400 0.126 0.000 2.103 266 K HA -0.220 4.104 4.320 0.005 0.000 0.207 266 K C 2.169 178.862 176.600 0.155 0.000 1.048 266 K CA 1.593 57.951 56.287 0.119 0.000 0.930 266 K CB -0.368 32.190 32.500 0.098 0.000 0.716 266 K HN 0.615 nan 8.250 nan 0.000 0.444 267 H N 0.341 119.433 119.070 0.037 0.000 2.293 267 H HA -0.073 4.486 4.556 0.005 0.000 0.300 267 H C 2.201 177.555 175.328 0.042 0.000 1.082 267 H CA 1.595 57.675 56.048 0.053 0.000 1.308 267 H CB 0.089 29.919 29.762 0.112 0.000 1.375 267 H HN 0.169 nan 8.280 nan 0.000 0.495 268 L N 0.179 121.346 121.223 -0.094 0.000 2.217 268 L HA -0.113 4.230 4.340 0.005 0.000 0.211 268 L C 2.848 179.727 176.870 0.014 0.000 1.107 268 L CA 0.356 55.100 54.840 -0.160 0.000 0.783 268 L CB -0.255 41.582 42.059 -0.371 0.000 0.919 268 L HN 0.223 nan 8.230 nan 0.000 0.442 269 R N 0.354 120.908 120.500 0.089 0.000 2.081 269 R HA -0.157 4.186 4.340 0.005 0.000 0.235 269 R C 2.184 178.523 176.300 0.065 0.000 1.131 269 R CA 1.363 57.522 56.100 0.098 0.000 0.960 269 R CB -0.471 29.892 30.300 0.104 0.000 0.856 269 R HN 0.520 nan 8.270 nan 0.000 0.436 270 Q N -0.276 119.565 119.800 0.069 0.000 2.050 270 Q HA -0.114 4.229 4.340 0.005 0.000 0.202 270 Q C 2.182 178.210 176.000 0.047 0.000 0.980 270 Q CA 1.656 57.499 55.803 0.067 0.000 0.840 270 Q CB -0.122 28.679 28.738 0.106 0.000 0.898 270 Q HN 0.089 nan 8.270 nan 0.000 0.424 271 V N -0.247 119.678 119.914 0.019 0.000 2.343 271 V HA -0.106 4.017 4.120 0.005 0.000 0.247 271 V C 0.993 177.091 176.094 0.007 0.000 1.051 271 V CA 1.362 63.656 62.300 -0.010 0.000 1.036 271 V CB -0.955 30.812 31.823 -0.093 0.000 0.654 271 V HN 0.666 nan 8.190 nan 0.000 0.451 272 G N 0.046 108.857 108.800 0.018 0.000 3.292 272 G HA2 -0.032 3.931 3.960 0.005 0.000 0.636 272 G HA3 -0.032 3.931 3.960 0.005 0.000 0.636 272 G C -0.191 174.729 174.900 0.033 0.000 1.069 272 G CA 0.012 45.132 45.100 0.034 0.000 0.890 272 G HN 1.284 nan 8.290 nan 0.000 0.427 273 V N -0.029 119.917 119.914 0.053 0.000 3.078 273 V HA 0.532 4.655 4.120 0.005 0.000 0.344 273 V C 0.938 177.070 176.094 0.063 0.000 1.409 273 V CA 0.038 62.373 62.300 0.058 0.000 1.146 273 V CB 0.550 32.419 31.823 0.076 0.000 1.126 273 V HN 0.999 nan 8.190 nan 0.000 0.513 274 V N 2.786 122.733 119.914 0.054 0.000 2.540 274 V HA 0.535 4.659 4.120 0.005 0.000 0.297 274 V C 1.737 177.846 176.094 0.026 0.000 1.024 274 V CA 1.574 63.901 62.300 0.046 0.000 1.105 274 V CB 0.093 31.948 31.823 0.053 0.000 0.938 274 V HN 1.099 nan 8.190 nan 0.000 0.482 275 G N 3.957 112.762 108.800 0.008 0.000 2.159 275 G HA2 -0.217 3.746 3.960 0.005 0.000 0.256 275 G HA3 -0.217 3.746 3.960 0.005 0.000 0.256 275 G C 0.090 174.966 174.900 -0.039 0.000 0.977 275 G CA 0.309 45.393 45.100 -0.025 0.000 0.652 275 G HN 0.631 nan 8.290 nan 0.000 0.531 276 K N -0.575 119.834 120.400 0.014 0.000 2.340 276 K HA 0.710 5.033 4.320 0.005 0.000 0.244 276 K C -0.587 176.139 176.600 0.209 0.000 0.973 276 K CA -1.094 55.217 56.287 0.040 0.000 0.828 276 K CB 1.374 33.905 32.500 0.051 0.000 1.226 276 K HN -0.065 nan 8.250 nan 0.000 0.437 277 F N 0.983 120.912 119.950 -0.036 0.000 2.389 277 F HA 0.257 4.787 4.527 0.005 0.000 0.337 277 F C 0.447 176.236 175.800 -0.017 0.000 1.112 277 F CA -1.146 56.837 58.000 -0.028 0.000 1.192 277 F CB 1.029 40.008 39.000 -0.035 0.000 1.185 277 F HN 0.025 nan 8.300 nan 0.000 0.552 278 V N 2.040 122.037 119.914 0.139 0.000 2.513 278 V HA 0.386 4.509 4.120 0.005 0.000 0.299 278 V C -0.487 175.545 176.094 -0.104 0.000 1.035 278 V CA -0.853 61.407 62.300 -0.067 0.000 0.889 278 V CB 1.819 33.522 31.823 -0.200 0.000 0.988 278 V HN 0.732 nan 8.190 nan 0.000 0.440 279 E N 3.180 123.236 120.200 -0.240 0.000 2.241 279 E HA 0.523 4.876 4.350 0.005 0.000 0.263 279 E C -1.542 174.857 176.600 -0.336 0.000 0.882 279 E CA -0.579 55.755 56.400 -0.110 0.000 0.769 279 E CB 1.307 31.111 29.700 0.174 0.000 1.185 279 E HN 0.473 nan 8.360 nan 0.000 0.415 280 F N 4.634 124.440 119.950 -0.241 0.000 2.382 280 F HA 0.470 5.000 4.527 0.005 0.000 0.331 280 F C 0.333 176.251 175.800 0.196 0.000 1.121 280 F CA 0.028 57.892 58.000 -0.228 0.000 1.183 280 F CB 0.608 39.045 39.000 -0.940 0.000 1.207 280 F HN 0.448 nan 8.300 nan 0.000 0.555 281 F N -1.159 118.877 119.950 0.143 0.000 3.052 281 F HA 0.838 5.369 4.527 0.005 0.000 0.323 281 F C -0.329 175.586 175.800 0.192 0.000 1.178 281 F CA -0.862 57.323 58.000 0.309 0.000 0.892 281 F CB 1.228 40.471 39.000 0.405 0.000 1.416 281 F HN 0.888 nan 8.300 nan 0.000 0.488 282 G N 0.254 109.040 108.800 -0.023 0.000 2.570 282 G HA2 0.095 4.059 3.960 0.005 0.000 0.686 282 G HA3 0.095 4.059 3.960 0.005 0.000 0.686 282 G C -2.966 171.927 174.900 -0.012 0.000 1.257 282 G CA -0.469 44.495 45.100 -0.227 0.000 0.846 282 G HN 0.614 nan 8.290 nan 0.000 0.627 283 P HA 0.038 nan 4.420 nan 0.000 0.222 283 P C 1.812 179.107 177.300 -0.008 0.000 1.147 283 P CA 1.826 64.937 63.100 0.019 0.000 0.790 283 P CB 0.039 31.742 31.700 0.005 0.000 0.780 284 G N -0.813 107.961 108.800 -0.043 0.000 2.813 284 G HA2 -0.053 3.910 3.960 0.005 0.000 0.209 284 G HA3 -0.053 3.910 3.960 0.005 0.000 0.209 284 G C 1.351 176.208 174.900 -0.072 0.000 1.150 284 G CA 0.096 45.169 45.100 -0.046 0.000 0.785 284 G HN 0.157 nan 8.290 nan 0.000 0.535 285 V N 1.240 121.079 119.914 -0.125 0.000 2.407 285 V HA -0.023 4.100 4.120 0.005 0.000 0.245 285 V C 3.193 179.143 176.094 -0.240 0.000 1.041 285 V CA 1.659 63.801 62.300 -0.262 0.000 1.040 285 V CB -0.567 30.838 31.823 -0.696 0.000 0.671 285 V HN 0.381 nan 8.190 nan 0.000 0.455 286 A N 0.879 123.630 122.820 -0.116 0.000 2.024 286 A HA -0.287 4.036 4.320 0.005 0.000 0.220 286 A C 2.188 179.745 177.584 -0.045 0.000 1.164 286 A CA 1.971 53.995 52.037 -0.022 0.000 0.643 286 A CB -0.443 18.599 19.000 0.070 0.000 0.806 286 A HN 0.783 nan 8.150 nan 0.000 0.451 287 Q N -0.336 119.429 119.800 -0.058 0.000 2.311 287 Q HA 0.193 4.536 4.340 0.005 0.000 0.203 287 Q C 0.186 176.133 176.000 -0.087 0.000 0.954 287 Q CA 0.227 55.995 55.803 -0.058 0.000 0.885 287 Q CB -0.479 28.232 28.738 -0.045 0.000 0.963 287 Q HN 0.564 nan 8.270 nan 0.000 0.471 288 L N 3.190 124.335 121.223 -0.131 0.000 2.360 288 L HA 0.165 4.508 4.340 0.005 0.000 0.276 288 L C 0.506 177.255 176.870 -0.202 0.000 1.121 288 L CA -0.705 54.026 54.840 -0.181 0.000 0.845 288 L CB 0.697 42.603 42.059 -0.256 0.000 1.143 288 L HN 0.195 nan 8.230 nan 0.000 0.452 289 S N 3.050 118.646 115.700 -0.174 0.000 2.596 289 S HA 0.146 4.620 4.470 0.005 0.000 0.260 289 S C 1.364 175.797 174.600 -0.277 0.000 1.336 289 S CA -0.755 57.346 58.200 -0.166 0.000 0.993 289 S CB 0.949 64.086 63.200 -0.105 0.000 0.923 289 S HN 0.437 nan 8.310 nan 0.000 0.567 290 I N 1.213 121.605 120.570 -0.296 0.000 2.286 290 I HA -0.123 4.051 4.170 0.005 0.000 0.248 290 I C 2.841 178.668 176.117 -0.484 0.000 1.115 290 I CA 1.566 62.574 61.300 -0.488 0.000 1.392 290 I CB -2.402 35.147 38.000 -0.751 0.000 1.065 290 I HN 0.870 nan 8.210 nan 0.000 0.418 291 A N 0.709 123.332 122.820 -0.329 0.000 1.902 291 A HA -0.215 4.108 4.320 0.005 0.000 0.217 291 A C 1.971 179.427 177.584 -0.213 0.000 1.181 291 A CA 1.948 53.865 52.037 -0.200 0.000 0.623 291 A CB -0.587 18.386 19.000 -0.046 0.000 0.818 291 A HN 0.366 nan 8.150 nan 0.000 0.443 292 D N -0.300 119.958 120.400 -0.237 0.000 2.097 292 D HA -0.136 4.507 4.640 0.005 0.000 0.195 292 D C 2.176 178.228 176.300 -0.414 0.000 0.989 292 D CA 1.375 55.222 54.000 -0.254 0.000 0.827 292 D CB -0.428 40.232 40.800 -0.233 0.000 0.966 292 D HN 0.469 nan 8.370 nan 0.000 0.456 293 R N 0.778 120.882 120.500 -0.660 0.000 2.081 293 R HA -0.028 4.315 4.340 0.005 0.000 0.235 293 R C 2.320 178.131 176.300 -0.815 0.000 1.131 293 R CA 1.291 56.637 56.100 -1.256 0.000 0.960 293 R CB -0.324 28.979 30.300 -1.662 0.000 0.856 293 R HN 0.120 nan 8.270 nan 0.000 0.436 294 A N 0.519 123.042 122.820 -0.495 0.000 1.902 294 A HA -0.153 4.170 4.320 0.005 0.000 0.217 294 A C 2.161 179.653 177.584 -0.153 0.000 1.181 294 A CA 1.904 53.781 52.037 -0.267 0.000 0.623 294 A CB -0.854 18.017 19.000 -0.215 0.000 0.818 294 A HN 0.279 nan 8.150 nan 0.000 0.443 295 T N 0.596 115.059 114.554 -0.152 0.000 2.665 295 T HA -0.173 4.180 4.350 0.005 0.000 0.268 295 T C 1.779 176.462 174.700 -0.029 0.000 1.035 295 T CA 1.768 63.824 62.100 -0.074 0.000 1.151 295 T CB -0.481 68.347 68.868 -0.066 0.000 0.862 295 T HN 0.459 nan 8.240 nan 0.000 0.438 296 I N 1.150 121.675 120.570 -0.075 0.000 2.252 296 I HA -0.142 4.031 4.170 0.005 0.000 0.245 296 I C 2.886 179.128 176.117 0.208 0.000 1.102 296 I CA 1.170 62.496 61.300 0.043 0.000 1.385 296 I CB -0.440 37.517 38.000 -0.072 0.000 1.064 296 I HN 0.194 nan 8.210 nan 0.000 0.414 297 A N 0.731 123.645 122.820 0.156 0.000 1.968 297 A HA -0.197 4.127 4.320 0.005 0.000 0.217 297 A C 2.169 179.842 177.584 0.148 0.000 1.169 297 A CA 1.450 53.641 52.037 0.256 0.000 0.638 297 A CB -0.780 18.361 19.000 0.235 0.000 0.812 297 A HN 0.507 nan 8.150 nan 0.000 0.446 298 N N 0.372 119.117 118.700 0.075 0.000 2.061 298 N HA -0.177 4.566 4.740 0.005 0.000 0.193 298 N C 1.417 177.006 175.510 0.131 0.000 1.030 298 N CA 1.874 54.960 53.050 0.059 0.000 0.856 298 N CB -0.270 38.217 38.487 -0.001 0.000 1.023 298 N HN 0.528 nan 8.380 nan 0.000 0.424 299 M N 0.274 119.927 119.600 0.088 0.000 2.633 299 M HA -0.017 4.466 4.480 0.005 0.000 0.226 299 M C 2.118 178.137 176.300 -0.468 0.000 1.137 299 M CA -0.264 55.047 55.300 0.019 0.000 1.020 299 M CB -0.364 32.308 32.600 0.121 0.000 1.675 299 M HN 0.306 nan 8.290 nan 0.000 0.500 300 C N 2.514 121.534 119.300 -0.466 0.000 2.385 300 C HA -0.135 4.328 4.460 0.005 0.000 0.275 300 C C -0.037 174.599 174.990 -0.591 0.000 1.207 300 C CA 1.648 60.215 59.018 -0.751 0.000 1.760 300 C CB -1.157 26.490 27.740 -0.154 0.000 2.051 300 C HN 0.380 nan 8.230 nan 0.000 0.467 301 P HA -0.065 nan 4.420 nan 0.000 0.220 301 P C 1.011 178.239 177.300 -0.120 0.000 1.148 301 P CA 1.623 64.617 63.100 -0.176 0.000 0.803 301 P CB -0.211 31.379 31.700 -0.184 0.000 0.782 302 E N -0.610 119.511 120.200 -0.133 0.000 2.208 302 E HA -0.133 4.220 4.350 0.005 0.000 0.193 302 E C 1.644 178.277 176.600 0.054 0.000 0.988 302 E CA 1.047 57.454 56.400 0.012 0.000 0.828 302 E CB -0.857 28.884 29.700 0.068 0.000 0.763 302 E HN 0.546 nan 8.360 nan 0.000 0.478 303 Y N -3.841 116.504 120.300 0.074 0.000 2.462 303 Y HA 0.501 5.055 4.550 0.006 0.000 0.261 303 Y C 1.476 177.399 175.900 0.038 0.000 1.146 303 Y CA 0.129 58.258 58.100 0.048 0.000 1.283 303 Y CB 0.115 38.593 38.460 0.029 0.000 1.090 303 Y HN -0.035 nan 8.280 nan 0.000 0.526 304 G N 0.198 109.011 108.800 0.020 0.000 2.218 304 G HA2 -0.169 3.794 3.960 0.005 0.000 0.216 304 G HA3 -0.169 3.794 3.960 0.005 0.000 0.216 304 G C 0.654 175.579 174.900 0.041 0.000 0.994 304 G CA -0.284 44.840 45.100 0.041 0.000 0.637 304 G HN 0.845 nan 8.290 nan 0.000 0.505 305 A N -0.035 122.834 122.820 0.081 0.000 2.409 305 A HA 0.617 4.940 4.320 0.005 0.000 0.246 305 A C 1.584 179.180 177.584 0.019 0.000 1.099 305 A CA 1.713 53.803 52.037 0.088 0.000 0.789 305 A CB 0.202 19.310 19.000 0.180 0.000 1.053 305 A HN 0.671 nan 8.150 nan 0.000 0.503 306 T N 0.084 114.649 114.554 0.018 0.000 2.976 306 T HA 0.418 4.771 4.350 0.005 0.000 0.257 306 T C 0.693 175.336 174.700 -0.095 0.000 1.051 306 T CA 1.274 63.305 62.100 -0.116 0.000 1.141 306 T CB -0.052 68.668 68.868 -0.247 0.000 0.881 306 T HN 1.155 nan 8.240 nan 0.000 0.461 307 A N 0.300 123.078 122.820 -0.070 0.000 2.539 307 A HA 0.839 5.162 4.320 0.005 0.000 0.296 307 A C -1.367 176.260 177.584 0.071 0.000 1.073 307 A CA -0.675 51.315 52.037 -0.078 0.000 0.700 307 A CB 1.432 20.120 19.000 -0.519 0.000 1.296 307 A HN 0.287 nan 8.150 nan 0.000 0.405 308 A N 1.079 124.029 122.820 0.217 0.000 2.815 308 A HA 0.606 4.930 4.320 0.005 0.000 0.318 308 A C -1.229 176.628 177.584 0.454 0.000 1.186 308 A CA -0.212 52.041 52.037 0.360 0.000 0.754 308 A CB -0.109 19.211 19.000 0.533 0.000 1.151 308 A HN 1.243 nan 8.150 nan 0.000 0.452 309 F N 1.743 121.787 119.950 0.156 0.000 2.420 309 F HA 0.754 5.284 4.527 0.005 0.000 0.342 309 F C -1.181 174.695 175.800 0.127 0.000 1.113 309 F CA -1.165 56.932 58.000 0.161 0.000 1.059 309 F CB 1.017 40.062 39.000 0.074 0.000 1.128 309 F HN 0.394 nan 8.300 nan 0.000 0.475 310 F N 7.092 126.801 119.950 -0.401 0.000 2.359 310 F HA 0.420 4.950 4.527 0.005 0.000 0.369 310 F C -2.189 173.304 175.800 -0.511 0.000 1.084 310 F CA -2.362 55.480 58.000 -0.264 0.000 1.096 310 F CB 0.756 39.585 39.000 -0.285 0.000 1.335 310 F HN 0.349 nan 8.300 nan 0.000 0.457 311 P HA -0.070 nan 4.420 nan 0.000 0.267 311 P C -0.361 176.859 177.300 -0.135 0.000 1.195 311 P CA -0.007 62.967 63.100 -0.210 0.000 0.773 311 P CB 0.531 32.019 31.700 -0.354 0.000 0.837 312 V N 3.367 123.190 119.914 -0.152 0.000 2.529 312 V HA 0.141 4.264 4.120 0.005 0.000 0.292 312 V C 0.703 176.508 176.094 -0.482 0.000 1.028 312 V CA 0.725 62.937 62.300 -0.147 0.000 1.074 312 V CB 0.042 31.885 31.823 0.033 0.000 0.958 312 V HN 0.716 nan 8.190 nan 0.000 0.481 313 D N 3.007 123.166 120.400 -0.401 0.000 2.758 313 D HA 0.222 4.865 4.640 0.005 0.000 0.279 313 D C 0.790 176.940 176.300 -0.250 0.000 1.111 313 D CA -0.709 52.886 54.000 -0.676 0.000 1.109 313 D CB 1.104 41.733 40.800 -0.285 0.000 1.428 313 D HN 0.191 nan 8.370 nan 0.000 0.586 314 E N -0.473 119.701 120.200 -0.042 0.000 2.160 314 E HA -0.091 4.262 4.350 0.005 0.000 0.195 314 E C 1.799 178.457 176.600 0.098 0.000 0.991 314 E CA 1.177 57.688 56.400 0.185 0.000 0.810 314 E CB -0.452 29.350 29.700 0.170 0.000 0.742 314 E HN 0.353 nan 8.360 nan 0.000 0.466 315 V N 0.077 120.020 119.914 0.047 0.000 2.343 315 V HA -0.263 3.860 4.120 0.005 0.000 0.247 315 V C 2.241 178.356 176.094 0.034 0.000 1.051 315 V CA 1.886 64.202 62.300 0.027 0.000 1.036 315 V CB -0.674 31.144 31.823 -0.008 0.000 0.654 315 V HN 0.247 nan 8.190 nan 0.000 0.451 316 S N 0.391 116.105 115.700 0.022 0.000 2.359 316 S HA -0.161 4.312 4.470 0.005 0.000 0.224 316 S C 1.968 176.632 174.600 0.108 0.000 1.035 316 S CA 1.537 59.760 58.200 0.038 0.000 1.018 316 S CB -0.367 62.842 63.200 0.015 0.000 0.876 316 S HN 0.393 nan 8.310 nan 0.000 0.448 317 I N 2.290 122.932 120.570 0.121 0.000 2.163 317 I HA -0.162 4.011 4.170 0.005 0.000 0.243 317 I C 2.483 178.630 176.117 0.050 0.000 1.085 317 I CA 1.500 62.861 61.300 0.103 0.000 1.347 317 I CB -2.211 35.875 38.000 0.143 0.000 1.044 317 I HN 0.281 nan 8.210 nan 0.000 0.408 318 T N 0.274 114.861 114.554 0.055 0.000 2.720 318 T HA -0.262 4.091 4.350 0.005 0.000 0.268 318 T C 1.865 176.569 174.700 0.006 0.000 1.037 318 T CA 1.642 63.754 62.100 0.020 0.000 1.144 318 T CB -0.579 68.303 68.868 0.025 0.000 0.864 318 T HN 0.362 nan 8.240 nan 0.000 0.444 319 Y N 1.642 121.892 120.300 -0.084 0.000 2.181 319 Y HA -0.045 4.508 4.550 0.005 0.000 0.288 319 Y C 1.992 177.791 175.900 -0.169 0.000 1.146 319 Y CA 1.034 59.059 58.100 -0.125 0.000 1.164 319 Y CB -0.446 37.949 38.460 -0.109 0.000 0.982 319 Y HN 0.125 nan 8.280 nan 0.000 0.515 320 L N -0.792 120.401 121.223 -0.051 0.000 2.042 320 L HA -0.210 4.134 4.340 0.005 0.000 0.210 320 L C 2.635 179.364 176.870 -0.235 0.000 1.076 320 L CA 1.425 56.172 54.840 -0.156 0.000 0.749 320 L CB -1.004 41.025 42.059 -0.050 0.000 0.893 320 L HN 0.313 nan 8.230 nan 0.000 0.432 321 V N -0.579 119.231 119.914 -0.174 0.000 2.358 321 V HA -0.304 3.819 4.120 0.005 0.000 0.246 321 V C 2.388 178.346 176.094 -0.227 0.000 1.047 321 V CA 2.091 64.291 62.300 -0.167 0.000 1.035 321 V CB -0.256 31.504 31.823 -0.106 0.000 0.658 321 V HN 0.613 nan 8.190 nan 0.000 0.452 322 Q N 0.507 120.136 119.800 -0.285 0.000 2.084 322 Q HA -0.198 4.146 4.340 0.005 0.000 0.202 322 Q C 1.935 177.560 176.000 -0.625 0.000 0.978 322 Q CA 2.405 58.001 55.803 -0.345 0.000 0.844 322 Q CB -0.355 28.199 28.738 -0.307 0.000 0.898 322 Q HN 0.849 nan 8.270 nan 0.000 0.426 323 T N -3.261 110.712 114.554 -0.969 0.000 3.252 323 T HA 0.265 4.618 4.350 0.005 0.000 0.250 323 T C 1.037 175.392 174.700 -0.575 0.000 1.123 323 T CA 0.411 61.676 62.100 -1.392 0.000 1.006 323 T CB 0.005 68.045 68.868 -1.381 0.000 0.992 323 T HN 0.537 nan 8.240 nan 0.000 0.547 324 G N 1.360 109.958 108.800 -0.338 0.000 2.160 324 G HA2 -0.295 3.668 3.960 0.005 0.000 0.251 324 G HA3 -0.295 3.668 3.960 0.005 0.000 0.251 324 G C 0.139 174.969 174.900 -0.116 0.000 1.008 324 G CA -0.226 44.791 45.100 -0.138 0.000 0.724 324 G HN 0.668 nan 8.290 nan 0.000 0.514 325 R N 0.770 121.168 120.500 -0.169 0.000 2.640 325 R HA 0.280 4.623 4.340 0.005 0.000 0.270 325 R C 0.711 176.938 176.300 -0.122 0.000 1.024 325 R CA -0.083 55.931 56.100 -0.144 0.000 1.085 325 R CB 0.340 30.541 30.300 -0.166 0.000 0.963 325 R HN 0.322 nan 8.270 nan 0.000 0.426 326 D N 1.748 122.082 120.400 -0.111 0.000 2.583 326 D HA -0.129 4.514 4.640 0.005 0.000 0.232 326 D C 0.894 177.120 176.300 -0.124 0.000 1.128 326 D CA 0.288 54.230 54.000 -0.097 0.000 0.859 326 D CB 0.847 41.595 40.800 -0.087 0.000 1.169 326 D HN 0.559 nan 8.370 nan 0.000 0.481 327 E N 3.635 123.778 120.200 -0.094 0.000 2.110 327 E HA -0.210 4.143 4.350 0.005 0.000 0.193 327 E C 1.455 177.985 176.600 -0.117 0.000 0.988 327 E CA 1.570 57.911 56.400 -0.098 0.000 0.804 327 E CB -0.012 29.648 29.700 -0.067 0.000 0.745 327 E HN 0.590 nan 8.360 nan 0.000 0.458 328 E N 0.188 120.332 120.200 -0.094 0.000 2.058 328 E HA -0.226 4.127 4.350 0.005 0.000 0.194 328 E C 2.038 178.512 176.600 -0.210 0.000 0.997 328 E CA 1.606 57.961 56.400 -0.075 0.000 0.801 328 E CB -0.048 29.648 29.700 -0.007 0.000 0.746 328 E HN 0.325 nan 8.360 nan 0.000 0.450 329 K N 0.338 120.535 120.400 -0.338 0.000 2.062 329 K HA -0.079 4.245 4.320 0.005 0.000 0.205 329 K C 2.327 178.439 176.600 -0.813 0.000 1.051 329 K CA 0.749 56.547 56.287 -0.816 0.000 0.941 329 K CB -0.170 32.039 32.500 -0.486 0.000 0.719 329 K HN 0.079 nan 8.250 nan 0.000 0.440 330 L N 1.440 122.417 121.223 -0.410 0.000 2.081 330 L HA -0.234 4.109 4.340 0.005 0.000 0.212 330 L C 2.504 179.215 176.870 -0.264 0.000 1.080 330 L CA 1.181 55.852 54.840 -0.282 0.000 0.754 330 L CB -0.475 41.478 42.059 -0.177 0.000 0.893 330 L HN 0.132 nan 8.230 nan 0.000 0.433 331 K N 0.243 120.497 120.400 -0.243 0.000 2.015 331 K HA -0.241 4.082 4.320 0.005 0.000 0.216 331 K C 2.169 178.678 176.600 -0.152 0.000 1.052 331 K CA 2.434 58.626 56.287 -0.159 0.000 0.937 331 K CB -0.643 31.803 32.500 -0.089 0.000 0.719 331 K HN 0.483 nan 8.250 nan 0.000 0.446 332 Y N -0.508 119.702 120.300 -0.151 0.000 2.457 332 Y HA 0.099 4.652 4.550 0.005 0.000 0.292 332 Y C 1.925 177.680 175.900 -0.241 0.000 1.125 332 Y CA 0.142 58.073 58.100 -0.281 0.000 1.254 332 Y CB -0.888 37.297 38.460 -0.458 0.000 1.012 332 Y HN -0.053 nan 8.280 nan 0.000 0.555 333 I N 1.068 121.544 120.570 -0.156 0.000 2.113 333 I HA -0.287 3.886 4.170 0.005 0.000 0.238 333 I C 2.715 178.855 176.117 0.037 0.000 1.070 333 I CA 2.114 63.422 61.300 0.012 0.000 1.332 333 I CB -0.391 37.565 38.000 -0.073 0.000 1.044 333 I HN 0.191 nan 8.210 nan 0.000 0.402 334 K N 1.367 121.717 120.400 -0.082 0.000 2.025 334 K HA -0.254 4.069 4.320 0.005 0.000 0.207 334 K C 2.245 178.675 176.600 -0.282 0.000 1.049 334 K CA 1.657 57.805 56.287 -0.233 0.000 0.933 334 K CB -0.070 32.230 32.500 -0.333 0.000 0.714 334 K HN 0.060 nan 8.250 nan 0.000 0.438 335 K N -0.196 120.081 120.400 -0.205 0.000 2.044 335 K HA -0.265 4.058 4.320 0.005 0.000 0.210 335 K C 2.204 178.671 176.600 -0.220 0.000 1.049 335 K CA 1.942 58.109 56.287 -0.200 0.000 0.927 335 K CB -0.429 31.979 32.500 -0.154 0.000 0.713 335 K HN 0.253 nan 8.250 nan 0.000 0.443 336 Y N 1.179 121.302 120.300 -0.295 0.000 2.145 336 Y HA -0.175 4.379 4.550 0.006 0.000 0.286 336 Y C 1.674 177.486 175.900 -0.146 0.000 1.145 336 Y CA 1.683 59.579 58.100 -0.340 0.000 1.148 336 Y CB -0.296 37.984 38.460 -0.301 0.000 0.981 336 Y HN 0.027 nan 8.280 nan 0.000 0.507 337 L N 0.084 121.164 121.223 -0.237 0.000 2.046 337 L HA -0.266 4.078 4.340 0.005 0.000 0.208 337 L C 2.605 179.432 176.870 -0.071 0.000 1.077 337 L CA 1.706 56.464 54.840 -0.137 0.000 0.747 337 L CB -0.702 41.503 42.059 0.244 0.000 0.896 337 L HN 0.306 nan 8.230 nan 0.000 0.432 338 Q N -0.244 119.478 119.800 -0.131 0.000 2.050 338 Q HA -0.214 4.129 4.340 0.005 0.000 0.202 338 Q C 2.479 178.437 176.000 -0.071 0.000 0.980 338 Q CA 1.665 57.416 55.803 -0.086 0.000 0.840 338 Q CB -0.322 28.285 28.738 -0.218 0.000 0.898 338 Q HN 0.575 nan 8.270 nan 0.000 0.424 339 A N 0.311 123.027 122.820 -0.174 0.000 1.908 339 A HA -0.137 4.186 4.320 0.005 0.000 0.218 339 A C 2.155 179.760 177.584 0.033 0.000 1.181 339 A CA 1.481 53.450 52.037 -0.112 0.000 0.627 339 A CB -0.619 18.186 19.000 -0.325 0.000 0.818 339 A HN 0.281 nan 8.150 nan 0.000 0.445 340 V N -0.937 118.918 119.914 -0.097 0.000 3.541 340 V HA 0.348 4.471 4.120 0.005 0.000 0.267 340 V C 1.370 177.581 176.094 0.195 0.000 1.213 340 V CA 1.383 63.735 62.300 0.086 0.000 1.149 340 V CB -0.434 31.317 31.823 -0.120 0.000 0.822 340 V HN 1.351 nan 8.190 nan 0.000 0.462 341 G N 0.615 109.507 108.800 0.154 0.000 2.165 341 G HA2 -0.266 3.697 3.960 0.005 0.000 0.226 341 G HA3 -0.266 3.697 3.960 0.005 0.000 0.226 341 G C 0.268 175.299 174.900 0.218 0.000 1.035 341 G CA 0.456 45.679 45.100 0.204 0.000 0.744 341 G HN 0.470 nan 8.290 nan 0.000 0.501 342 M N -0.659 119.103 119.600 0.271 0.000 2.589 342 M HA 0.418 4.901 4.480 0.005 0.000 0.344 342 M C -0.057 176.493 176.300 0.417 0.000 1.168 342 M CA -0.171 55.389 55.300 0.433 0.000 0.956 342 M CB 0.612 33.414 32.600 0.336 0.000 1.370 342 M HN 0.212 nan 8.290 nan 0.000 0.518 343 F N 1.137 121.189 119.950 0.170 0.000 2.426 343 F HA 0.574 5.104 4.527 0.005 0.000 0.348 343 F C 0.105 175.840 175.800 -0.108 0.000 1.124 343 F CA -0.878 57.127 58.000 0.009 0.000 1.008 343 F CB 0.695 39.690 39.000 -0.008 0.000 1.139 343 F HN -0.056 nan 8.300 nan 0.000 0.452 344 R N 3.308 123.293 120.500 -0.859 0.000 2.457 344 R HA 0.330 4.673 4.340 0.005 0.000 0.284 344 R C -1.530 174.308 176.300 -0.770 0.000 1.024 344 R CA -0.343 55.190 56.100 -0.946 0.000 1.025 344 R CB 0.816 30.276 30.300 -1.400 0.000 1.063 344 R HN 0.601 nan 8.270 nan 0.000 0.493 345 D N 3.389 123.482 120.400 -0.512 0.000 2.469 345 D HA 0.149 4.792 4.640 0.005 0.000 0.251 345 D C -0.169 175.980 176.300 -0.251 0.000 1.173 345 D CA -0.428 53.401 54.000 -0.285 0.000 0.882 345 D CB 0.386 41.140 40.800 -0.078 0.000 1.129 345 D HN 0.451 nan 8.370 nan 0.000 0.549 346 F N 1.603 121.518 119.950 -0.059 0.000 2.502 346 F HA 0.029 4.559 4.527 0.005 0.000 0.298 346 F C 1.912 177.736 175.800 0.040 0.000 1.111 346 F CA 0.357 58.362 58.000 0.009 0.000 1.445 346 F CB -0.061 38.948 39.000 0.015 0.000 1.081 346 F HN 0.349 nan 8.300 nan 0.000 0.558 347 N N -0.170 118.627 118.700 0.161 0.000 2.449 347 N HA -0.069 4.674 4.740 0.005 0.000 0.191 347 N C -0.183 175.379 175.510 0.088 0.000 1.161 347 N CA 0.512 53.629 53.050 0.112 0.000 0.863 347 N CB -0.111 38.426 38.487 0.083 0.000 0.980 347 N HN 0.178 nan 8.380 nan 0.000 0.458 348 D N 0.811 121.260 120.400 0.082 0.000 2.462 348 D HA 0.195 4.838 4.640 0.005 0.000 0.249 348 D C -1.647 174.713 176.300 0.101 0.000 1.117 348 D CA -2.201 51.843 54.000 0.073 0.000 0.900 348 D CB 1.554 42.382 40.800 0.046 0.000 1.039 348 D HN -0.044 nan 8.370 nan 0.000 0.516 349 P HA -0.175 nan 4.420 nan 0.000 0.219 349 P C 1.303 178.670 177.300 0.111 0.000 1.146 349 P CA 0.787 63.977 63.100 0.150 0.000 0.808 349 P CB 0.129 31.911 31.700 0.136 0.000 0.779 350 S N -0.428 115.319 115.700 0.078 0.000 2.419 350 S HA -0.206 4.267 4.470 0.005 0.000 0.233 350 S C 2.138 176.766 174.600 0.046 0.000 1.016 350 S CA 0.878 59.110 58.200 0.054 0.000 0.974 350 S CB -1.105 62.122 63.200 0.045 0.000 0.786 350 S HN 0.205 nan 8.310 nan 0.000 0.492 351 Q N 0.780 120.618 119.800 0.063 0.000 2.424 351 Q HA 0.037 4.380 4.340 0.005 0.000 0.204 351 Q C -0.642 175.413 176.000 0.091 0.000 0.933 351 Q CA 0.059 55.907 55.803 0.075 0.000 0.929 351 Q CB 0.027 28.812 28.738 0.079 0.000 1.037 351 Q HN 0.524 nan 8.270 nan 0.000 0.511 352 D N 2.900 123.349 120.400 0.081 0.000 2.450 352 D HA 0.076 4.719 4.640 0.005 0.000 0.247 352 D C -2.188 173.986 176.300 -0.209 0.000 1.162 352 D CA -0.994 53.022 54.000 0.028 0.000 0.879 352 D CB 0.856 41.732 40.800 0.128 0.000 1.163 352 D HN 0.169 nan 8.370 nan 0.000 0.472 353 P HA 0.063 nan 4.420 nan 0.000 0.271 353 P C -0.613 176.160 177.300 -0.878 0.000 1.244 353 P CA -0.202 62.454 63.100 -0.740 0.000 0.793 353 P CB 0.521 31.587 31.700 -1.056 0.000 0.984 354 D N 0.248 120.317 120.400 -0.552 0.000 2.522 354 D HA 0.214 4.857 4.640 0.005 0.000 0.218 354 D C -0.271 175.949 176.300 -0.134 0.000 1.149 354 D CA -0.039 53.798 54.000 -0.272 0.000 0.981 354 D CB -0.680 40.085 40.800 -0.058 0.000 1.041 354 D HN 0.130 nan 8.370 nan 0.000 0.518 355 F N 0.070 120.046 119.950 0.044 0.000 2.435 355 F HA 0.102 4.632 4.527 0.005 0.000 0.316 355 F C 2.240 178.159 175.800 0.198 0.000 1.220 355 F CA -0.475 57.612 58.000 0.145 0.000 1.241 355 F CB 0.234 39.229 39.000 -0.009 0.000 1.234 355 F HN 0.125 nan 8.300 nan 0.000 0.569 356 T N -0.459 114.363 114.554 0.446 0.000 2.674 356 T HA -0.130 4.223 4.350 0.005 0.000 0.265 356 T C 0.298 175.096 174.700 0.163 0.000 1.039 356 T CA 1.399 63.618 62.100 0.199 0.000 1.150 356 T CB -0.324 68.620 68.868 0.127 0.000 0.864 356 T HN 0.671 nan 8.240 nan 0.000 0.427 357 Q N -0.447 119.454 119.800 0.169 0.000 2.511 357 Q HA 0.671 5.015 4.340 0.005 0.000 0.289 357 Q C -1.969 174.105 176.000 0.122 0.000 1.021 357 Q CA -1.004 54.875 55.803 0.126 0.000 0.785 357 Q CB 2.065 30.848 28.738 0.075 0.000 1.472 357 Q HN 0.045 nan 8.270 nan 0.000 0.411 358 V N 1.217 121.200 119.914 0.115 0.000 2.483 358 V HA 0.580 4.703 4.120 0.005 0.000 0.295 358 V C -0.471 175.635 176.094 0.020 0.000 1.035 358 V CA -0.612 61.754 62.300 0.111 0.000 0.896 358 V CB 1.655 33.622 31.823 0.240 0.000 0.986 358 V HN 0.641 nan 8.190 nan 0.000 0.447 359 V N 3.600 123.468 119.914 -0.077 0.000 2.769 359 V HA 0.538 4.661 4.120 0.005 0.000 0.312 359 V C -0.359 175.507 176.094 -0.380 0.000 1.061 359 V CA -0.662 61.533 62.300 -0.174 0.000 0.931 359 V CB 2.244 33.945 31.823 -0.204 0.000 1.010 359 V HN 0.915 nan 8.190 nan 0.000 0.433 360 E N 1.989 122.015 120.200 -0.290 0.000 2.256 360 E HA 0.622 4.976 4.350 0.005 0.000 0.267 360 E C -1.733 174.675 176.600 -0.320 0.000 0.892 360 E CA -0.859 55.335 56.400 -0.343 0.000 0.775 360 E CB 2.667 32.260 29.700 -0.178 0.000 1.207 360 E HN 0.395 nan 8.360 nan 0.000 0.420 361 L N 2.805 123.850 121.223 -0.296 0.000 2.376 361 L HA 0.336 4.680 4.340 0.005 0.000 0.275 361 L C -1.158 175.675 176.870 -0.062 0.000 0.987 361 L CA -0.535 54.245 54.840 -0.100 0.000 0.828 361 L CB 1.627 43.762 42.059 0.127 0.000 1.249 361 L HN 0.339 nan 8.230 nan 0.000 0.409 362 D N 4.348 124.712 120.400 -0.060 0.000 2.339 362 D HA 0.158 4.801 4.640 0.005 0.000 0.241 362 D C 1.115 177.407 176.300 -0.013 0.000 1.183 362 D CA 0.075 54.052 54.000 -0.039 0.000 0.859 362 D CB 0.978 41.753 40.800 -0.041 0.000 1.067 362 D HN 0.678 nan 8.370 nan 0.000 0.484 363 L N 3.782 125.006 121.223 0.001 0.000 2.353 363 L HA -0.179 4.164 4.340 0.005 0.000 0.220 363 L C 2.365 179.246 176.870 0.018 0.000 1.133 363 L CA 0.998 55.849 54.840 0.017 0.000 0.798 363 L CB -0.267 41.802 42.059 0.016 0.000 0.922 363 L HN 0.465 nan 8.230 nan 0.000 0.445 364 K N -0.146 120.260 120.400 0.010 0.000 2.283 364 K HA -0.114 4.210 4.320 0.005 0.000 0.202 364 K C 1.735 178.339 176.600 0.008 0.000 1.048 364 K CA 1.571 57.870 56.287 0.019 0.000 0.948 364 K CB -0.466 32.043 32.500 0.014 0.000 0.742 364 K HN 0.292 nan 8.250 nan 0.000 0.458 365 T N -1.396 113.155 114.554 -0.005 0.000 3.088 365 T HA 0.117 4.470 4.350 0.005 0.000 0.259 365 T C 0.704 175.398 174.700 -0.010 0.000 1.122 365 T CA -0.267 61.823 62.100 -0.016 0.000 1.095 365 T CB -0.209 68.640 68.868 -0.031 0.000 0.930 365 T HN -0.018 nan 8.240 nan 0.000 0.508 366 V N 3.189 123.106 119.914 0.006 0.000 2.637 366 V HA 0.472 4.595 4.120 0.005 0.000 0.296 366 V C 0.450 176.545 176.094 0.001 0.000 1.046 366 V CA -0.617 61.691 62.300 0.014 0.000 1.066 366 V CB 0.822 32.664 31.823 0.031 0.000 0.968 366 V HN 0.523 nan 8.190 nan 0.000 0.483 367 V N 3.469 123.380 119.914 -0.006 0.000 2.962 367 V HA 0.717 4.840 4.120 0.005 0.000 0.313 367 V C -2.706 173.377 176.094 -0.019 0.000 1.099 367 V CA -2.750 59.530 62.300 -0.032 0.000 0.971 367 V CB 2.080 33.878 31.823 -0.042 0.000 1.028 367 V HN 0.680 nan 8.190 nan 0.000 0.430 368 P HA 0.197 nan 4.420 nan 0.000 0.261 368 P C -0.179 177.127 177.300 0.011 0.000 1.183 368 P CA 0.364 63.437 63.100 -0.046 0.000 0.761 368 P CB -0.029 31.572 31.700 -0.166 0.000 0.785 369 C N 2.422 121.758 119.300 0.059 0.000 3.241 369 C HA 0.790 5.253 4.460 0.005 0.000 0.312 369 C C -0.157 174.918 174.990 0.141 0.000 1.350 369 C CA -0.653 58.422 59.018 0.096 0.000 1.415 369 C CB 1.093 28.882 27.740 0.081 0.000 1.770 369 C HN 0.602 nan 8.230 nan 0.000 0.466 370 C N 0.581 119.984 119.300 0.172 0.000 3.028 370 C HA 0.948 5.411 4.460 0.005 0.000 0.338 370 C C -0.016 175.103 174.990 0.216 0.000 1.366 370 C CA -0.230 58.918 59.018 0.216 0.000 1.610 370 C CB 1.865 29.762 27.740 0.260 0.000 2.063 370 C HN 1.035 nan 8.230 nan 0.000 0.463 371 S N -0.299 115.536 115.700 0.226 0.000 2.614 371 S HA 0.875 5.348 4.470 0.005 0.000 0.288 371 S C -0.085 174.550 174.600 0.058 0.000 1.137 371 S CA 0.136 58.421 58.200 0.142 0.000 0.992 371 S CB 1.641 64.883 63.200 0.071 0.000 1.026 371 S HN 1.460 nan 8.310 nan 0.000 0.486 372 G N 2.971 111.754 108.800 -0.027 0.000 2.367 372 G HA2 0.305 4.268 3.960 0.005 0.000 0.272 372 G HA3 0.305 4.268 3.960 0.005 0.000 0.272 372 G C -2.923 171.860 174.900 -0.196 0.000 1.271 372 G CA -0.589 44.319 45.100 -0.319 0.000 0.893 372 G HN 0.339 nan 8.290 nan 0.000 0.485 373 P HA 0.142 nan 4.420 nan 0.000 0.237 373 P C 0.615 177.795 177.300 -0.201 0.000 1.178 373 P CA 1.029 63.797 63.100 -0.553 0.000 0.766 373 P CB 0.230 31.961 31.700 0.051 0.000 0.876 374 K N -1.582 118.793 120.400 -0.043 0.000 2.517 374 K HA 0.255 4.578 4.320 0.005 0.000 0.210 374 K C 0.622 177.310 176.600 0.147 0.000 1.166 374 K CA -0.163 56.206 56.287 0.138 0.000 1.030 374 K CB 1.447 34.139 32.500 0.320 0.000 0.974 374 K HN -0.036 nan 8.250 nan 0.000 0.585 375 R N 0.407 120.886 120.500 -0.034 0.000 2.698 375 R HA 0.204 4.547 4.340 0.005 0.000 0.275 375 R C -2.435 173.757 176.300 -0.180 0.000 1.001 375 R CA -1.816 54.212 56.100 -0.120 0.000 0.896 375 R CB 1.973 32.170 30.300 -0.172 0.000 1.218 375 R HN -0.264 nan 8.270 nan 0.000 0.462 376 P HA -0.154 nan 4.420 nan 0.000 0.221 376 P C 0.492 177.780 177.300 -0.019 0.000 1.150 376 P CA 0.887 63.909 63.100 -0.130 0.000 0.800 376 P CB 0.355 31.985 31.700 -0.118 0.000 0.787 377 Q N -1.088 118.709 119.800 -0.005 0.000 2.403 377 Q HA 0.004 4.347 4.340 0.005 0.000 0.203 377 Q C -0.330 175.683 176.000 0.023 0.000 0.932 377 Q CA 0.763 56.586 55.803 0.033 0.000 0.945 377 Q CB -0.617 28.145 28.738 0.041 0.000 1.045 377 Q HN 0.186 nan 8.270 nan 0.000 0.511 378 D N 2.774 123.175 120.400 0.001 0.000 2.608 378 D HA 0.108 4.751 4.640 0.005 0.000 0.224 378 D C -0.497 175.841 176.300 0.063 0.000 1.123 378 D CA 0.146 54.159 54.000 0.022 0.000 1.030 378 D CB 0.107 40.910 40.800 0.004 0.000 1.093 378 D HN 0.152 nan 8.370 nan 0.000 0.497 379 K N 0.858 121.300 120.400 0.070 0.000 2.447 379 K HA 0.154 4.477 4.320 0.005 0.000 0.281 379 K C -0.697 175.965 176.600 0.103 0.000 1.031 379 K CA 0.025 56.366 56.287 0.089 0.000 1.019 379 K CB 0.654 33.200 32.500 0.077 0.000 0.918 379 K HN -0.028 nan 8.250 nan 0.000 0.476 380 V N 3.856 123.850 119.914 0.133 0.000 2.443 380 V HA 0.273 4.397 4.120 0.005 0.000 0.293 380 V C -0.123 176.042 176.094 0.118 0.000 1.021 380 V CA -1.149 61.233 62.300 0.136 0.000 0.848 380 V CB 1.311 33.253 31.823 0.198 0.000 0.998 380 V HN 0.964 nan 8.190 nan 0.000 0.424 381 A N 4.219 127.090 122.820 0.085 0.000 2.565 381 A HA 0.304 4.628 4.320 0.005 0.000 0.237 381 A C 1.407 179.043 177.584 0.087 0.000 1.053 381 A CA 0.177 52.255 52.037 0.068 0.000 0.755 381 A CB 0.333 19.358 19.000 0.040 0.000 0.980 381 A HN 0.856 nan 8.150 nan 0.000 0.506 382 V N 3.036 123.005 119.914 0.092 0.000 2.324 382 V HA -0.271 3.852 4.120 0.005 0.000 0.250 382 V C 2.583 178.747 176.094 0.117 0.000 1.060 382 V CA 2.691 65.077 62.300 0.144 0.000 1.042 382 V CB -0.953 30.946 31.823 0.127 0.000 0.650 382 V HN 0.974 nan 8.190 nan 0.000 0.450 383 S N -0.010 115.729 115.700 0.064 0.000 2.423 383 S HA -0.228 4.245 4.470 0.005 0.000 0.238 383 S C 1.363 175.990 174.600 0.044 0.000 1.028 383 S CA 1.725 59.951 58.200 0.043 0.000 1.000 383 S CB -0.277 62.932 63.200 0.014 0.000 0.797 383 S HN 0.679 nan 8.310 nan 0.000 0.487 384 D N -0.416 120.018 120.400 0.056 0.000 2.433 384 D HA 0.249 4.892 4.640 0.005 0.000 0.211 384 D C 1.357 177.699 176.300 0.070 0.000 1.114 384 D CA -0.056 53.978 54.000 0.057 0.000 0.837 384 D CB 0.014 40.849 40.800 0.059 0.000 0.984 384 D HN 0.228 nan 8.370 nan 0.000 0.505 385 M N 0.564 120.202 119.600 0.065 0.000 2.149 385 M HA -0.151 4.332 4.480 0.005 0.000 0.261 385 M C 2.065 178.381 176.300 0.027 0.000 1.064 385 M CA 1.344 56.661 55.300 0.029 0.000 1.102 385 M CB -0.434 32.168 32.600 0.003 0.000 1.369 385 M HN -0.008 nan 8.290 nan 0.000 0.408 386 K N 0.286 120.699 120.400 0.022 0.000 2.001 386 K HA -0.196 4.127 4.320 0.005 0.000 0.208 386 K C 2.091 178.760 176.600 0.114 0.000 1.048 386 K CA 1.525 57.835 56.287 0.039 0.000 0.932 386 K CB 0.051 32.551 32.500 -0.000 0.000 0.715 386 K HN -0.043 nan 8.250 nan 0.000 0.437 387 K N 0.868 121.321 120.400 0.089 0.000 2.057 387 K HA -0.159 4.165 4.320 0.005 0.000 0.206 387 K C 1.685 178.350 176.600 0.108 0.000 1.050 387 K CA 1.965 58.307 56.287 0.091 0.000 0.935 387 K CB -0.283 32.255 32.500 0.064 0.000 0.715 387 K HN 0.207 nan 8.250 nan 0.000 0.439 388 D N -0.819 119.655 120.400 0.123 0.000 2.097 388 D HA -0.187 4.456 4.640 0.005 0.000 0.195 388 D C 1.679 178.082 176.300 0.171 0.000 0.989 388 D CA 1.099 55.178 54.000 0.132 0.000 0.827 388 D CB -0.140 40.753 40.800 0.154 0.000 0.966 388 D HN 0.231 nan 8.370 nan 0.000 0.456 389 F N 1.060 121.074 119.950 0.107 0.000 2.134 389 F HA -0.059 4.471 4.527 0.005 0.000 0.299 389 F C 2.207 178.082 175.800 0.125 0.000 1.097 389 F CA 1.424 59.529 58.000 0.176 0.000 1.264 389 F CB -0.121 38.965 39.000 0.142 0.000 1.001 389 F HN -0.059 nan 8.300 nan 0.000 0.479 390 E N -0.417 119.901 120.200 0.196 0.000 2.110 390 E HA -0.173 4.180 4.350 0.005 0.000 0.193 390 E C 2.295 178.880 176.600 -0.026 0.000 0.988 390 E CA 1.466 57.908 56.400 0.071 0.000 0.804 390 E CB -0.164 29.623 29.700 0.145 0.000 0.745 390 E HN 0.310 nan 8.360 nan 0.000 0.458 391 S N -0.412 115.289 115.700 0.001 0.000 2.402 391 S HA -0.141 4.332 4.470 0.005 0.000 0.229 391 S C 1.984 176.526 174.600 -0.098 0.000 1.021 391 S CA 0.687 58.877 58.200 -0.016 0.000 0.974 391 S CB -0.142 63.063 63.200 0.008 0.000 0.800 391 S HN 0.430 nan 8.310 nan 0.000 0.484 392 C N 1.383 120.571 119.300 -0.186 0.000 2.440 392 C HA 0.069 4.532 4.460 0.005 0.000 0.278 392 C C 2.449 177.221 174.990 -0.362 0.000 1.295 392 C CA 0.188 58.981 59.018 -0.375 0.000 1.738 392 C CB -1.516 25.890 27.740 -0.557 0.000 1.987 392 C HN 0.535 nan 8.230 nan 0.000 0.492 393 L N 0.835 121.852 121.223 -0.343 0.000 1.997 393 L HA -0.179 4.165 4.340 0.005 0.000 0.216 393 L C 2.573 179.308 176.870 -0.224 0.000 1.074 393 L CA 2.076 56.665 54.840 -0.418 0.000 0.763 393 L CB -0.877 40.546 42.059 -1.059 0.000 0.890 393 L HN 0.534 nan 8.230 nan 0.000 0.434 394 G N -1.432 107.343 108.800 -0.042 0.000 3.088 394 G HA2 0.336 4.300 3.960 0.005 0.000 0.217 394 G HA3 0.336 4.300 3.960 0.005 0.000 0.217 394 G C 0.519 175.449 174.900 0.050 0.000 1.159 394 G CA 0.367 45.581 45.100 0.190 0.000 0.760 394 G HN 0.371 nan 8.290 nan 0.000 0.550 395 A N 0.317 123.114 122.820 -0.038 0.000 2.351 395 A HA 0.528 4.851 4.320 0.005 0.000 0.257 395 A C 0.536 178.080 177.584 -0.066 0.000 1.087 395 A CA -0.459 51.541 52.037 -0.061 0.000 0.798 395 A CB 0.408 19.345 19.000 -0.105 0.000 1.033 395 A HN 0.241 nan 8.150 nan 0.000 0.488 396 K N 1.105 121.474 120.400 -0.051 0.000 2.524 396 K HA -0.053 4.270 4.320 0.005 0.000 0.279 396 K C 0.612 177.164 176.600 -0.079 0.000 0.993 396 K CA 0.270 56.528 56.287 -0.049 0.000 1.030 396 K CB 0.212 32.686 32.500 -0.043 0.000 0.891 396 K HN 0.798 nan 8.250 nan 0.000 0.488 397 Q N 2.289 122.053 119.800 -0.061 0.000 2.478 397 Q HA 0.006 4.349 4.340 0.005 0.000 0.323 397 Q C -0.217 175.705 176.000 -0.130 0.000 1.087 397 Q CA 0.836 56.594 55.803 -0.074 0.000 1.056 397 Q CB 0.112 28.828 28.738 -0.036 0.000 1.018 397 Q HN 0.797 nan 8.270 nan 0.000 0.387 398 G N 2.256 110.948 108.800 -0.179 0.000 2.348 398 G HA2 0.093 4.057 3.960 0.005 0.000 0.296 398 G HA3 0.093 4.057 3.960 0.005 0.000 0.296 398 G C -0.490 174.261 174.900 -0.248 0.000 1.258 398 G CA -0.642 44.289 45.100 -0.282 0.000 0.868 398 G HN 0.576 nan 8.290 nan 0.000 0.488 399 F N 0.329 120.249 119.950 -0.051 0.000 2.202 399 F HA 0.065 4.596 4.527 0.005 0.000 0.301 399 F C 1.965 177.686 175.800 -0.132 0.000 1.082 399 F CA 0.989 58.962 58.000 -0.046 0.000 1.313 399 F CB 0.282 39.282 39.000 0.001 0.000 1.024 399 F HN -0.080 nan 8.300 nan 0.000 0.495 400 K N 0.466 120.856 120.400 -0.015 0.000 3.202 400 K HA 0.418 4.741 4.320 0.005 0.000 0.206 400 K C -0.178 176.238 176.600 -0.307 0.000 1.142 400 K CA 0.113 56.307 56.287 -0.155 0.000 0.979 400 K CB 0.936 33.408 32.500 -0.047 0.000 0.863 400 K HN 0.117 nan 8.250 nan 0.000 0.479 401 G N -0.221 108.304 108.800 -0.459 0.000 2.761 401 G HA2 0.455 4.419 3.960 0.005 0.000 0.296 401 G HA3 0.455 4.419 3.960 0.005 0.000 0.296 401 G C -0.461 174.155 174.900 -0.473 0.000 1.416 401 G CA -0.618 44.217 45.100 -0.442 0.000 1.105 401 G HN 0.087 nan 8.290 nan 0.000 0.565 402 F N 0.029 119.912 119.950 -0.112 0.000 2.731 402 F HA 0.304 4.834 4.527 0.005 0.000 0.298 402 F C 1.506 177.263 175.800 -0.072 0.000 1.106 402 F CA -0.085 57.856 58.000 -0.098 0.000 1.329 402 F CB 0.636 39.542 39.000 -0.157 0.000 1.100 402 F HN 0.512 nan 8.300 nan 0.000 0.592 403 Q N 1.996 121.833 119.800 0.061 0.000 2.453 403 Q HA -0.165 4.178 4.340 0.005 0.000 0.350 403 Q C -1.665 174.384 176.000 0.081 0.000 1.447 403 Q CA -0.201 55.636 55.803 0.055 0.000 0.968 403 Q CB -0.765 27.993 28.738 0.033 0.000 1.175 403 Q HN 0.165 nan 8.270 nan 0.000 0.354 404 V N 1.783 121.761 119.914 0.106 0.000 2.417 404 V HA 0.726 4.850 4.120 0.005 0.000 0.291 404 V C 0.597 176.863 176.094 0.288 0.000 1.024 404 V CA -0.286 62.096 62.300 0.138 0.000 0.861 404 V CB 1.539 33.352 31.823 -0.016 0.000 0.985 404 V HN 0.605 nan 8.190 nan 0.000 0.436 405 A N 6.695 129.651 122.820 0.226 0.000 2.567 405 A HA 0.304 4.627 4.320 0.005 0.000 0.240 405 A C -1.174 176.423 177.584 0.022 0.000 1.053 405 A CA -0.517 51.628 52.037 0.180 0.000 0.755 405 A CB -0.156 19.007 19.000 0.271 0.000 0.978 405 A HN 0.738 nan 8.150 nan 0.000 0.507 406 P HA -0.240 nan 4.420 nan 0.000 0.217 406 P C 1.322 178.322 177.300 -0.501 0.000 1.151 406 P CA 1.731 64.382 63.100 -0.748 0.000 0.849 406 P CB 0.100 31.579 31.700 -0.367 0.000 0.787 407 E N -1.176 118.865 120.200 -0.266 0.000 2.338 407 E HA -0.213 4.140 4.350 0.005 0.000 0.197 407 E C 1.169 177.618 176.600 -0.252 0.000 1.007 407 E CA 1.276 57.516 56.400 -0.265 0.000 0.849 407 E CB -1.120 28.391 29.700 -0.315 0.000 0.774 407 E HN 0.482 nan 8.360 nan 0.000 0.506 408 H N -0.118 118.982 119.070 0.050 0.000 2.551 408 H HA 0.165 4.725 4.556 0.005 0.000 0.271 408 H C 1.238 176.757 175.328 0.318 0.000 0.984 408 H CA 0.212 56.366 56.048 0.178 0.000 1.164 408 H CB -0.046 29.836 29.762 0.201 0.000 1.437 408 H HN 0.480 nan 8.280 nan 0.000 0.550 409 H N 0.580 119.739 119.070 0.148 0.000 2.518 409 H HA -0.040 4.520 4.556 0.005 0.000 0.289 409 H C 0.820 176.300 175.328 0.254 0.000 1.051 409 H CA 0.335 56.445 56.048 0.104 0.000 1.280 409 H CB 0.501 30.288 29.762 0.043 0.000 1.380 409 H HN 0.240 nan 8.280 nan 0.000 0.566 410 N N 1.023 119.928 118.700 0.341 0.000 2.204 410 N HA 0.005 4.748 4.740 0.005 0.000 0.219 410 N C -0.562 175.100 175.510 0.255 0.000 1.151 410 N CA 0.049 53.265 53.050 0.276 0.000 0.867 410 N CB 0.431 39.032 38.487 0.190 0.000 1.043 410 N HN 0.279 nan 8.380 nan 0.000 0.516 411 D N 1.160 121.720 120.400 0.266 0.000 2.378 411 D HA 0.077 4.720 4.640 0.005 0.000 0.238 411 D C 0.386 176.723 176.300 0.061 0.000 1.180 411 D CA 0.937 54.989 54.000 0.087 0.000 0.895 411 D CB 0.454 41.333 40.800 0.130 0.000 1.192 411 D HN 0.416 nan 8.370 nan 0.000 0.438 412 H N -2.574 116.516 119.070 0.033 0.000 3.079 412 H HA 0.637 5.196 4.556 0.005 0.000 0.356 412 H C -1.445 173.898 175.328 0.024 0.000 1.221 412 H CA -1.228 54.828 56.048 0.014 0.000 1.185 412 H CB 0.948 30.733 29.762 0.039 0.000 1.882 412 H HN -0.029 nan 8.280 nan 0.000 0.543 413 K N 1.624 122.134 120.400 0.184 0.000 2.463 413 K HA 0.418 4.741 4.320 0.005 0.000 0.255 413 K C -0.881 175.862 176.600 0.238 0.000 0.942 413 K CA -0.513 55.868 56.287 0.155 0.000 0.814 413 K CB 1.617 34.164 32.500 0.080 0.000 1.122 413 K HN 0.842 nan 8.250 nan 0.000 0.425 414 T N 4.638 119.308 114.554 0.193 0.000 2.918 414 T HA 0.487 4.840 4.350 0.005 0.000 0.302 414 T C -0.214 174.614 174.700 0.214 0.000 1.045 414 T CA 0.082 62.256 62.100 0.122 0.000 1.114 414 T CB -0.112 68.792 68.868 0.061 0.000 0.965 414 T HN 0.460 nan 8.240 nan 0.000 0.540 415 F N 0.286 120.247 119.950 0.018 0.000 2.686 415 F HA 0.724 5.254 4.527 0.005 0.000 0.311 415 F C -1.244 174.600 175.800 0.074 0.000 1.128 415 F CA -1.876 56.141 58.000 0.027 0.000 0.946 415 F CB 1.146 40.144 39.000 -0.004 0.000 1.336 415 F HN 0.563 nan 8.300 nan 0.000 0.457 416 I N 1.585 122.295 120.570 0.233 0.000 2.339 416 I HA 0.617 4.790 4.170 0.005 0.000 0.290 416 I C -2.092 174.242 176.117 0.362 0.000 0.994 416 I CA -0.759 60.634 61.300 0.155 0.000 1.191 416 I CB 1.602 39.647 38.000 0.075 0.000 1.343 416 I HN 0.804 nan 8.210 nan 0.000 0.458 417 Y N 6.108 126.573 120.300 0.274 0.000 2.338 417 Y HA 0.339 4.892 4.550 0.005 0.000 0.333 417 Y C -0.384 175.682 175.900 0.277 0.000 0.968 417 Y CA -0.348 57.958 58.100 0.343 0.000 1.123 417 Y CB 1.009 39.768 38.460 0.497 0.000 1.165 417 Y HN 0.827 nan 8.280 nan 0.000 0.452 418 D N 5.180 125.359 120.400 -0.369 0.000 2.697 418 D HA -0.290 4.353 4.640 0.005 0.000 0.238 418 D C -0.189 176.090 176.300 -0.035 0.000 1.152 418 D CA 1.513 55.377 54.000 -0.228 0.000 0.666 418 D CB -0.957 39.709 40.800 -0.224 0.000 1.037 418 D HN 0.831 nan 8.370 nan 0.000 0.423 419 N N -1.667 117.017 118.700 -0.026 0.000 2.693 419 N HA -0.225 4.518 4.740 0.005 0.000 0.249 419 N C -0.285 175.201 175.510 -0.039 0.000 1.119 419 N CA 1.754 54.791 53.050 -0.021 0.000 0.717 419 N CB -1.281 37.190 38.487 -0.028 0.000 1.071 419 N HN 0.672 nan 8.380 nan 0.000 0.555 420 T N -2.643 111.888 114.554 -0.038 0.000 2.893 420 T HA 0.591 4.944 4.350 0.005 0.000 0.293 420 T C -0.327 174.154 174.700 -0.364 0.000 1.027 420 T CA -0.932 61.048 62.100 -0.200 0.000 0.988 420 T CB 2.591 71.319 68.868 -0.234 0.000 1.043 420 T HN -0.121 nan 8.240 nan 0.000 0.461 421 E N 1.457 121.372 120.200 -0.475 0.000 2.259 421 E HA 0.638 4.991 4.350 0.005 0.000 0.281 421 E C -1.102 174.996 176.600 -0.837 0.000 1.027 421 E CA -0.206 55.907 56.400 -0.478 0.000 0.838 421 E CB 0.537 30.066 29.700 -0.286 0.000 1.066 421 E HN 0.576 nan 8.360 nan 0.000 0.401 422 F N 0.195 119.808 119.950 -0.563 0.000 2.620 422 F HA 0.546 5.076 4.527 0.005 0.000 0.320 422 F C 0.043 175.469 175.800 -0.623 0.000 1.069 422 F CA -0.905 56.700 58.000 -0.658 0.000 0.953 422 F CB 2.279 40.638 39.000 -1.069 0.000 1.322 422 F HN 0.089 nan 8.300 nan 0.000 0.479 423 T N 2.631 117.117 114.554 -0.113 0.000 2.812 423 T HA 0.563 4.916 4.350 0.005 0.000 0.282 423 T C -1.264 173.507 174.700 0.119 0.000 0.990 423 T CA -0.463 61.637 62.100 0.000 0.000 0.960 423 T CB 1.678 70.528 68.868 -0.031 0.000 0.948 423 T HN 0.315 nan 8.240 nan 0.000 0.438 424 L N 2.815 124.181 121.223 0.238 0.000 2.331 424 L HA 0.901 5.244 4.340 0.005 0.000 0.275 424 L C -0.247 176.696 176.870 0.122 0.000 1.022 424 L CA -0.146 54.811 54.840 0.196 0.000 0.812 424 L CB 1.140 43.300 42.059 0.168 0.000 1.257 424 L HN 0.913 nan 8.230 nan 0.000 0.435 425 A N 1.622 124.484 122.820 0.071 0.000 2.564 425 A HA 0.532 4.856 4.320 0.005 0.000 0.288 425 A C -1.206 176.369 177.584 -0.014 0.000 1.164 425 A CA -0.705 51.353 52.037 0.034 0.000 0.712 425 A CB 0.742 19.816 19.000 0.122 0.000 1.303 425 A HN 0.699 nan 8.150 nan 0.000 0.418 426 H N 0.007 119.152 119.070 0.124 0.000 3.070 426 H HA 0.293 4.852 4.556 0.005 0.000 0.313 426 H C 1.481 176.868 175.328 0.098 0.000 0.997 426 H CA 2.081 58.225 56.048 0.161 0.000 1.438 426 H CB 0.533 30.432 29.762 0.229 0.000 1.455 426 H HN 1.628 nan 8.280 nan 0.000 0.575 427 G N 2.685 111.508 108.800 0.038 0.000 2.213 427 G HA2 -0.341 3.622 3.960 0.005 0.000 0.236 427 G HA3 -0.341 3.622 3.960 0.005 0.000 0.236 427 G C 0.436 175.159 174.900 -0.296 0.000 0.991 427 G CA 0.188 44.961 45.100 -0.544 0.000 0.629 427 G HN 0.805 nan 8.290 nan 0.000 0.517 428 S N 0.203 115.843 115.700 -0.101 0.000 2.537 428 S HA 0.485 4.958 4.470 0.005 0.000 0.286 428 S C 0.466 175.037 174.600 -0.048 0.000 1.299 428 S CA -0.037 58.143 58.200 -0.033 0.000 1.067 428 S CB 2.034 65.267 63.200 0.054 0.000 0.864 428 S HN 1.118 nan 8.310 nan 0.000 0.494 429 V N 4.389 124.280 119.914 -0.038 0.000 2.470 429 V HA 0.192 4.315 4.120 0.005 0.000 0.276 429 V C 1.175 177.254 176.094 -0.026 0.000 1.040 429 V CA 0.013 62.290 62.300 -0.039 0.000 1.008 429 V CB 0.573 32.388 31.823 -0.014 0.000 0.990 429 V HN 0.992 nan 8.190 nan 0.000 0.477 430 V N 2.671 122.557 119.914 -0.046 0.000 3.562 430 V HA 0.490 4.613 4.120 0.005 0.000 0.270 430 V C 0.431 176.449 176.094 -0.127 0.000 1.418 430 V CA 0.329 62.585 62.300 -0.073 0.000 1.033 430 V CB 0.217 31.988 31.823 -0.087 0.000 0.820 430 V HN 0.553 nan 8.190 nan 0.000 0.441 431 I N 1.718 122.231 120.570 -0.094 0.000 2.466 431 I HA 0.802 4.975 4.170 0.005 0.000 0.289 431 I C -0.526 175.581 176.117 -0.016 0.000 1.026 431 I CA -0.572 60.679 61.300 -0.081 0.000 1.078 431 I CB 1.901 39.860 38.000 -0.069 0.000 1.249 431 I HN 0.228 nan 8.210 nan 0.000 0.429 432 A N 5.426 128.239 122.820 -0.011 0.000 2.651 432 A HA 0.813 5.136 4.320 0.005 0.000 0.290 432 A C -0.746 176.925 177.584 0.144 0.000 1.185 432 A CA -0.416 51.683 52.037 0.104 0.000 0.746 432 A CB 1.058 20.161 19.000 0.171 0.000 1.213 432 A HN 0.750 nan 8.150 nan 0.000 0.429 433 A N 2.941 125.855 122.820 0.156 0.000 2.311 433 A HA 0.703 5.026 4.320 0.005 0.000 0.306 433 A C -0.472 177.216 177.584 0.173 0.000 1.189 433 A CA -0.367 51.756 52.037 0.142 0.000 0.791 433 A CB 0.305 19.341 19.000 0.061 0.000 1.172 433 A HN 0.732 nan 8.150 nan 0.000 0.481 434 I N 2.823 123.528 120.570 0.226 0.000 2.329 434 I HA 0.322 4.495 4.170 0.005 0.000 0.295 434 I C 0.613 176.775 176.117 0.075 0.000 1.109 434 I CA 0.432 61.807 61.300 0.124 0.000 1.297 434 I CB 0.713 38.766 38.000 0.087 0.000 1.433 434 I HN 0.636 nan 8.210 nan 0.000 0.509 435 T N 3.580 118.164 114.554 0.051 0.000 2.843 435 T HA 0.595 4.948 4.350 0.005 0.000 0.302 435 T C -0.901 173.809 174.700 0.018 0.000 1.232 435 T CA -0.361 61.754 62.100 0.025 0.000 1.009 435 T CB 1.550 70.431 68.868 0.021 0.000 1.254 435 T HN 0.604 nan 8.240 nan 0.000 0.504 436 S N 0.209 115.913 115.700 0.005 0.000 2.813 436 S HA -0.138 4.335 4.470 0.005 0.000 0.857 436 S C 1.395 176.008 174.600 0.022 0.000 0.865 436 S CA 0.127 58.327 58.200 -0.001 0.000 1.493 436 S CB -1.538 61.653 63.200 -0.015 0.000 1.073 436 S HN 1.773 nan 8.310 nan 0.000 0.228 437 C N 3.959 123.284 119.300 0.041 0.000 2.403 437 C HA -0.060 4.403 4.460 0.005 0.000 0.279 437 C C 2.616 177.643 174.990 0.062 0.000 1.269 437 C CA 1.754 60.822 59.018 0.083 0.000 1.774 437 C CB -2.302 25.529 27.740 0.151 0.000 1.993 437 C HN 0.976 nan 8.230 nan 0.000 0.496 438 T N 1.705 116.266 114.554 0.012 0.000 2.680 438 T HA -0.207 4.146 4.350 0.005 0.000 0.268 438 T C 1.572 176.277 174.700 0.009 0.000 1.033 438 T CA 2.373 64.465 62.100 -0.014 0.000 1.152 438 T CB -0.347 68.489 68.868 -0.053 0.000 0.859 438 T HN 0.737 nan 8.240 nan 0.000 0.452 439 N N -0.465 118.249 118.700 0.023 0.000 2.360 439 N HA 0.026 4.770 4.740 0.005 0.000 0.211 439 N C 1.963 177.506 175.510 0.054 0.000 1.147 439 N CA 1.060 54.129 53.050 0.032 0.000 0.866 439 N CB 0.173 38.677 38.487 0.029 0.000 1.206 439 N HN 0.548 nan 8.380 nan 0.000 0.478 440 T N -1.579 113.013 114.554 0.063 0.000 3.072 440 T HA 0.091 4.445 4.350 0.005 0.000 0.266 440 T C 1.567 176.344 174.700 0.129 0.000 1.127 440 T CA 0.657 62.807 62.100 0.083 0.000 1.107 440 T CB -0.159 68.749 68.868 0.067 0.000 0.910 440 T HN -0.135 nan 8.240 nan 0.000 0.513 441 S N 1.793 117.570 115.700 0.128 0.000 2.603 441 S HA 0.136 4.609 4.470 0.005 0.000 0.220 441 S C 0.685 175.390 174.600 0.175 0.000 0.967 441 S CA -0.231 58.072 58.200 0.172 0.000 0.920 441 S CB -0.310 62.976 63.200 0.144 0.000 0.773 441 S HN 0.524 nan 8.310 nan 0.000 0.529 442 N N 1.550 120.330 118.700 0.133 0.000 2.558 442 N HA 0.305 5.048 4.740 0.005 0.000 0.242 442 N C -2.515 173.059 175.510 0.106 0.000 0.979 442 N CA -2.221 50.884 53.050 0.092 0.000 0.931 442 N CB 1.552 40.057 38.487 0.031 0.000 1.122 442 N HN -0.129 nan 8.380 nan 0.000 0.508 443 P HA -0.057 nan 4.420 nan 0.000 0.219 443 P C 1.062 178.332 177.300 -0.050 0.000 1.146 443 P CA 1.002 64.082 63.100 -0.033 0.000 0.808 443 P CB 0.485 32.011 31.700 -0.289 0.000 0.779 444 S N -0.545 115.134 115.700 -0.036 0.000 2.368 444 S HA -0.118 4.355 4.470 0.005 0.000 0.225 444 S C 1.862 176.437 174.600 -0.042 0.000 1.030 444 S CA 1.768 59.942 58.200 -0.044 0.000 0.999 444 S CB -1.093 62.086 63.200 -0.034 0.000 0.844 444 S HN 0.140 nan 8.310 nan 0.000 0.459 445 V N -1.651 118.252 119.914 -0.018 0.000 2.992 445 V HA 0.117 4.240 4.120 0.005 0.000 0.250 445 V C 1.944 178.016 176.094 -0.038 0.000 1.090 445 V CA 0.515 62.796 62.300 -0.033 0.000 1.101 445 V CB -0.603 31.218 31.823 -0.004 0.000 0.743 445 V HN 0.255 nan 8.190 nan 0.000 0.468 446 M N 0.535 120.153 119.600 0.030 0.000 2.123 446 M HA 0.109 4.592 4.480 0.005 0.000 0.263 446 M C 2.260 178.594 176.300 0.057 0.000 1.069 446 M CA 1.706 57.049 55.300 0.072 0.000 1.133 446 M CB -1.208 31.520 32.600 0.212 0.000 1.356 446 M HN 0.345 nan 8.290 nan 0.000 0.415 447 L N -0.426 120.841 121.223 0.072 0.000 2.141 447 L HA -0.104 4.239 4.340 0.005 0.000 0.209 447 L C 2.576 179.384 176.870 -0.103 0.000 1.094 447 L CA 1.062 55.903 54.840 0.000 0.000 0.763 447 L CB -1.158 40.878 42.059 -0.039 0.000 0.908 447 L HN 0.394 nan 8.230 nan 0.000 0.437 448 G N -0.228 108.488 108.800 -0.140 0.000 2.459 448 G HA2 -0.313 3.650 3.960 0.005 0.000 0.217 448 G HA3 -0.313 3.650 3.960 0.005 0.000 0.217 448 G C 1.772 176.464 174.900 -0.345 0.000 1.183 448 G CA 0.885 45.830 45.100 -0.259 0.000 0.776 448 G HN 0.470 nan 8.290 nan 0.000 0.552 449 A N 0.805 123.457 122.820 -0.280 0.000 1.908 449 A HA 0.109 4.432 4.320 0.005 0.000 0.218 449 A C 2.726 180.150 177.584 -0.266 0.000 1.181 449 A CA 2.270 54.124 52.037 -0.305 0.000 0.627 449 A CB -1.133 17.714 19.000 -0.254 0.000 0.818 449 A HN 0.596 nan 8.150 nan 0.000 0.445 450 G N -0.426 108.266 108.800 -0.180 0.000 2.402 450 G HA2 -0.125 3.838 3.960 0.005 0.000 0.216 450 G HA3 -0.125 3.838 3.960 0.005 0.000 0.216 450 G C 1.548 176.345 174.900 -0.172 0.000 1.162 450 G CA 0.966 45.987 45.100 -0.132 0.000 0.777 450 G HN 0.428 nan 8.290 nan 0.000 0.539 451 L N -0.111 120.991 121.223 -0.203 0.000 2.093 451 L HA 0.075 4.418 4.340 0.005 0.000 0.208 451 L C 2.722 179.434 176.870 -0.263 0.000 1.085 451 L CA 0.475 55.179 54.840 -0.227 0.000 0.755 451 L CB -0.356 41.580 42.059 -0.204 0.000 0.904 451 L HN 0.236 nan 8.230 nan 0.000 0.435 452 L N -0.052 120.981 121.223 -0.316 0.000 2.017 452 L HA -0.200 4.143 4.340 0.005 0.000 0.208 452 L C 2.781 179.515 176.870 -0.226 0.000 1.073 452 L CA 1.509 56.159 54.840 -0.316 0.000 0.745 452 L CB -0.290 41.497 42.059 -0.454 0.000 0.894 452 L HN 0.204 nan 8.230 nan 0.000 0.432 453 A N 0.166 122.860 122.820 -0.210 0.000 1.873 453 A HA -0.333 3.990 4.320 0.005 0.000 0.218 453 A C 2.402 179.930 177.584 -0.093 0.000 1.193 453 A CA 2.379 54.346 52.037 -0.116 0.000 0.629 453 A CB -0.735 18.221 19.000 -0.072 0.000 0.826 453 A HN 0.527 nan 8.150 nan 0.000 0.447 454 K N -0.340 119.908 120.400 -0.254 0.000 2.032 454 K HA -0.183 4.140 4.320 0.005 0.000 0.209 454 K C 2.127 178.512 176.600 -0.359 0.000 1.048 454 K CA 1.761 57.667 56.287 -0.635 0.000 0.927 454 K CB -0.202 31.727 32.500 -0.951 0.000 0.712 454 K HN 0.441 nan 8.250 nan 0.000 0.441 455 K N -0.041 120.211 120.400 -0.246 0.000 2.063 455 K HA -0.148 4.175 4.320 0.005 0.000 0.208 455 K C 2.176 178.726 176.600 -0.083 0.000 1.048 455 K CA 1.285 57.484 56.287 -0.148 0.000 0.928 455 K CB -0.171 32.254 32.500 -0.125 0.000 0.713 455 K HN 0.233 nan 8.250 nan 0.000 0.442 456 A N 1.024 123.799 122.820 -0.074 0.000 1.858 456 A HA -0.133 4.190 4.320 0.005 0.000 0.216 456 A C 2.392 179.984 177.584 0.013 0.000 1.190 456 A CA 1.478 53.498 52.037 -0.027 0.000 0.617 456 A CB -0.757 18.224 19.000 -0.032 0.000 0.827 456 A HN 0.076 nan 8.150 nan 0.000 0.443 457 V N 0.832 120.776 119.914 0.050 0.000 2.287 457 V HA -0.265 3.858 4.120 0.005 0.000 0.248 457 V C 2.162 178.318 176.094 0.102 0.000 1.053 457 V CA 2.430 64.803 62.300 0.123 0.000 1.027 457 V CB -0.820 31.185 31.823 0.303 0.000 0.646 457 V HN 0.531 nan 8.190 nan 0.000 0.447 458 D N 0.398 120.844 120.400 0.076 0.000 2.178 458 D HA -0.102 4.541 4.640 0.005 0.000 0.201 458 D C 1.935 178.254 176.300 0.031 0.000 0.980 458 D CA 1.529 55.561 54.000 0.054 0.000 0.842 458 D CB -0.214 40.588 40.800 0.003 0.000 0.948 458 D HN 0.490 nan 8.370 nan 0.000 0.472 459 A N -0.147 122.684 122.820 0.018 0.000 2.238 459 A HA 0.395 4.718 4.320 0.005 0.000 0.208 459 A C 1.584 179.181 177.584 0.021 0.000 1.177 459 A CA 0.853 52.900 52.037 0.017 0.000 0.804 459 A CB -0.321 18.685 19.000 0.011 0.000 0.823 459 A HN 0.220 nan 8.150 nan 0.000 0.482 460 G N -0.792 108.026 108.800 0.030 0.000 2.225 460 G HA2 -0.199 3.764 3.960 0.005 0.000 0.264 460 G HA3 -0.199 3.764 3.960 0.005 0.000 0.264 460 G C -0.109 174.806 174.900 0.026 0.000 1.060 460 G CA 0.401 45.518 45.100 0.029 0.000 0.833 460 G HN 0.451 nan 8.290 nan 0.000 0.498 461 L N -0.614 120.625 121.223 0.028 0.000 2.352 461 L HA 0.645 4.988 4.340 0.005 0.000 0.269 461 L C 0.595 177.486 176.870 0.035 0.000 1.034 461 L CA -0.932 53.923 54.840 0.025 0.000 0.806 461 L CB 1.764 43.833 42.059 0.017 0.000 1.244 461 L HN 0.288 nan 8.230 nan 0.000 0.447 462 N N -0.541 118.179 118.700 0.034 0.000 2.610 462 N HA 0.522 5.265 4.740 0.005 0.000 0.264 462 N C -1.712 173.814 175.510 0.027 0.000 1.348 462 N CA -0.722 52.350 53.050 0.037 0.000 0.819 462 N CB 2.903 41.413 38.487 0.038 0.000 1.521 462 N HN 0.107 nan 8.380 nan 0.000 0.497 463 V N 2.081 122.004 119.914 0.016 0.000 2.398 463 V HA 0.318 4.442 4.120 0.005 0.000 0.286 463 V C 0.334 176.362 176.094 -0.110 0.000 1.026 463 V CA -0.499 61.782 62.300 -0.032 0.000 0.868 463 V CB 1.247 33.070 31.823 0.001 0.000 0.982 463 V HN 0.683 nan 8.190 nan 0.000 0.443 464 M N 7.798 127.279 119.600 -0.197 0.000 2.248 464 M HA 0.063 4.546 4.480 0.005 0.000 0.343 464 M C -1.065 174.923 176.300 -0.520 0.000 1.243 464 M CA -0.680 54.422 55.300 -0.330 0.000 1.025 464 M CB 0.770 33.077 32.600 -0.488 0.000 1.759 464 M HN 0.438 nan 8.290 nan 0.000 0.452 465 P HA -0.145 nan 4.420 nan 0.000 0.229 465 P C 0.576 177.647 177.300 -0.381 0.000 1.160 465 P CA 1.380 64.383 63.100 -0.162 0.000 0.777 465 P CB -0.286 31.523 31.700 0.182 0.000 0.814 466 Y N -0.957 118.902 120.300 -0.736 0.000 2.583 466 Y HA 0.255 4.808 4.550 0.005 0.000 0.293 466 Y C 1.009 176.551 175.900 -0.597 0.000 1.157 466 Y CA -0.922 56.504 58.100 -1.123 0.000 1.315 466 Y CB -1.366 36.509 38.460 -0.975 0.000 1.021 466 Y HN -0.243 nan 8.280 nan 0.000 0.536 467 I N 2.981 123.044 120.570 -0.844 0.000 2.471 467 I HA 0.015 4.189 4.170 0.005 0.000 0.286 467 I C 0.462 176.367 176.117 -0.353 0.000 1.079 467 I CA -0.163 60.809 61.300 -0.548 0.000 1.398 467 I CB 0.945 38.624 38.000 -0.535 0.000 1.403 467 I HN 0.099 nan 8.210 nan 0.000 0.530 468 K N 6.491 126.735 120.400 -0.260 0.000 2.111 468 K HA 0.113 4.436 4.320 0.005 0.000 0.249 468 K C 0.013 176.463 176.600 -0.250 0.000 1.157 468 K CA -0.349 55.806 56.287 -0.220 0.000 1.048 468 K CB -0.039 32.357 32.500 -0.173 0.000 1.498 468 K HN 0.718 nan 8.250 nan 0.000 0.344 469 T N -0.122 114.206 114.554 -0.376 0.000 2.910 469 T HA 0.450 4.804 4.350 0.005 0.000 0.293 469 T C -0.095 174.279 174.700 -0.542 0.000 1.015 469 T CA -0.759 60.949 62.100 -0.654 0.000 1.094 469 T CB 1.380 69.546 68.868 -1.169 0.000 0.968 469 T HN 0.439 nan 8.240 nan 0.000 0.521 470 S N 1.380 116.793 115.700 -0.478 0.000 2.552 470 S HA 0.594 5.068 4.470 0.005 0.000 0.272 470 S C -1.654 172.972 174.600 0.043 0.000 1.150 470 S CA -1.159 56.923 58.200 -0.197 0.000 0.849 470 S CB 1.498 64.636 63.200 -0.104 0.000 1.113 470 S HN 0.937 nan 8.310 nan 0.000 0.458 471 L N 1.471 122.720 121.223 0.043 0.000 2.372 471 L HA 0.792 5.136 4.340 0.005 0.000 0.274 471 L C -0.977 175.861 176.870 -0.053 0.000 0.988 471 L CA -0.010 54.874 54.840 0.074 0.000 0.833 471 L CB 1.812 43.933 42.059 0.103 0.000 1.236 471 L HN 0.815 nan 8.230 nan 0.000 0.410 472 S N 6.475 122.145 115.700 -0.050 0.000 2.252 472 S HA 0.487 4.960 4.470 0.005 0.000 0.187 472 S C -2.568 171.987 174.600 -0.075 0.000 1.587 472 S CA -0.906 57.231 58.200 -0.105 0.000 1.215 472 S CB 0.591 63.753 63.200 -0.064 0.000 1.085 472 S HN 0.492 nan 8.310 nan 0.000 0.466 473 P HA 0.219 nan 4.420 nan 0.000 0.272 473 P C 0.916 178.295 177.300 0.131 0.000 1.223 473 P CA -0.172 62.945 63.100 0.028 0.000 0.784 473 P CB 0.540 32.286 31.700 0.076 0.000 0.923 474 G N -0.132 108.744 108.800 0.127 0.000 2.985 474 G HA2 0.229 4.192 3.960 0.005 0.000 0.209 474 G HA3 0.229 4.192 3.960 0.005 0.000 0.209 474 G C 0.127 175.116 174.900 0.148 0.000 1.165 474 G CA 0.378 45.559 45.100 0.134 0.000 0.776 474 G HN 0.696 nan 8.290 nan 0.000 0.541 475 S N -2.896 112.889 115.700 0.142 0.000 2.611 475 S HA 0.513 4.986 4.470 0.005 0.000 0.268 475 S C 1.009 175.526 174.600 -0.140 0.000 1.156 475 S CA 0.392 58.585 58.200 -0.011 0.000 0.817 475 S CB 0.979 64.210 63.200 0.052 0.000 1.122 475 S HN 0.344 nan 8.310 nan 0.000 0.466 476 G N 0.431 108.948 108.800 -0.471 0.000 2.484 476 G HA2 0.023 3.986 3.960 0.005 0.000 0.218 476 G HA3 0.023 3.986 3.960 0.005 0.000 0.218 476 G C 1.140 175.878 174.900 -0.271 0.000 1.130 476 G CA 0.926 45.725 45.100 -0.503 0.000 0.784 476 G HN 0.782 nan 8.290 nan 0.000 0.543 477 V N 0.712 120.441 119.914 -0.307 0.000 2.407 477 V HA -0.188 3.935 4.120 0.005 0.000 0.248 477 V C 2.961 178.814 176.094 -0.402 0.000 1.055 477 V CA 1.379 63.478 62.300 -0.334 0.000 1.049 477 V CB -0.398 31.068 31.823 -0.595 0.000 0.662 477 V HN 0.259 nan 8.190 nan 0.000 0.455 478 V N 0.154 119.812 119.914 -0.426 0.000 2.255 478 V HA -0.305 3.818 4.120 0.005 0.000 0.247 478 V C 2.576 178.245 176.094 -0.708 0.000 1.051 478 V CA 2.790 64.603 62.300 -0.811 0.000 1.018 478 V CB -1.106 30.537 31.823 -0.301 0.000 0.641 478 V HN 0.618 nan 8.190 nan 0.000 0.445 479 T N -1.174 113.228 114.554 -0.254 0.000 2.833 479 T HA -0.191 4.162 4.350 0.005 0.000 0.269 479 T C 1.808 176.446 174.700 -0.103 0.000 1.054 479 T CA 1.602 63.626 62.100 -0.126 0.000 1.135 479 T CB -0.345 68.546 68.868 0.037 0.000 0.869 479 T HN 0.463 nan 8.240 nan 0.000 0.466 480 Y N 2.045 122.192 120.300 -0.256 0.000 2.163 480 Y HA -0.145 4.408 4.550 0.005 0.000 0.288 480 Y C 2.168 178.011 175.900 -0.095 0.000 1.136 480 Y CA 0.543 58.543 58.100 -0.168 0.000 1.147 480 Y CB -0.914 37.439 38.460 -0.178 0.000 0.987 480 Y HN 0.519 nan 8.280 nan 0.000 0.509 481 Y N -1.834 118.514 120.300 0.081 0.000 2.395 481 Y HA 0.036 4.590 4.550 0.005 0.000 0.293 481 Y C 1.879 177.739 175.900 -0.066 0.000 1.123 481 Y CA 0.716 58.810 58.100 -0.009 0.000 1.227 481 Y CB -1.419 37.027 38.460 -0.022 0.000 1.012 481 Y HN 0.041 nan 8.280 nan 0.000 0.552 482 L N 0.115 121.327 121.223 -0.017 0.000 2.217 482 L HA -0.123 4.220 4.340 0.005 0.000 0.211 482 L C 2.464 179.313 176.870 -0.036 0.000 1.107 482 L CA 1.283 56.118 54.840 -0.009 0.000 0.783 482 L CB -0.422 41.590 42.059 -0.078 0.000 0.919 482 L HN 0.298 nan 8.230 nan 0.000 0.442 483 Q N -0.583 119.202 119.800 -0.025 0.000 2.089 483 Q HA -0.168 4.175 4.340 0.005 0.000 0.195 483 Q C 2.064 178.042 176.000 -0.036 0.000 0.963 483 Q CA 0.804 56.592 55.803 -0.026 0.000 0.834 483 Q CB 0.092 28.813 28.738 -0.028 0.000 0.906 483 Q HN 0.212 nan 8.270 nan 0.000 0.452 484 E N 0.644 120.851 120.200 0.012 0.000 2.160 484 E HA -0.158 4.196 4.350 0.005 0.000 0.195 484 E C 1.821 178.202 176.600 -0.365 0.000 0.991 484 E CA 1.559 57.955 56.400 -0.007 0.000 0.810 484 E CB -0.006 29.796 29.700 0.169 0.000 0.742 484 E HN 0.321 nan 8.360 nan 0.000 0.466 485 S N -1.819 113.474 115.700 -0.678 0.000 2.562 485 S HA 0.137 4.610 4.470 0.005 0.000 0.221 485 S C 1.689 176.042 174.600 -0.411 0.000 0.975 485 S CA 0.586 58.091 58.200 -1.159 0.000 0.918 485 S CB 0.106 62.799 63.200 -0.845 0.000 0.772 485 S HN 0.415 nan 8.310 nan 0.000 0.531 486 G N 0.337 109.027 108.800 -0.183 0.000 2.184 486 G HA2 -0.288 3.675 3.960 0.005 0.000 0.264 486 G HA3 -0.288 3.675 3.960 0.005 0.000 0.264 486 G C 0.667 175.635 174.900 0.113 0.000 0.975 486 G CA 0.337 45.433 45.100 -0.007 0.000 0.642 486 G HN 0.640 nan 8.290 nan 0.000 0.536 487 V N 0.158 120.094 119.914 0.037 0.000 2.788 487 V HA 0.010 4.133 4.120 0.005 0.000 0.251 487 V C 2.608 178.795 176.094 0.155 0.000 1.068 487 V CA 2.300 64.669 62.300 0.115 0.000 1.090 487 V CB -0.101 31.713 31.823 -0.013 0.000 0.710 487 V HN 0.491 nan 8.190 nan 0.000 0.467 488 M N 1.226 120.859 119.600 0.056 0.000 2.082 488 M HA -0.098 4.385 4.480 0.005 0.000 0.258 488 M C -0.450 175.856 176.300 0.010 0.000 1.069 488 M CA 2.387 57.698 55.300 0.020 0.000 1.102 488 M CB -1.484 31.105 32.600 -0.019 0.000 1.336 488 M HN 0.199 nan 8.290 nan 0.000 0.404 489 P HA -0.139 nan 4.420 nan 0.000 0.218 489 P C 0.864 178.060 177.300 -0.174 0.000 1.148 489 P CA 1.530 64.535 63.100 -0.158 0.000 0.822 489 P CB -0.349 31.169 31.700 -0.303 0.000 0.784 490 Y N -1.084 119.201 120.300 -0.025 0.000 2.263 490 Y HA -0.063 4.490 4.550 0.005 0.000 0.292 490 Y C 2.353 178.249 175.900 -0.007 0.000 1.130 490 Y CA 0.724 58.811 58.100 -0.022 0.000 1.179 490 Y CB -1.205 37.231 38.460 -0.040 0.000 0.998 490 Y HN -0.157 nan 8.280 nan 0.000 0.532 491 L N -1.062 120.243 121.223 0.137 0.000 2.017 491 L HA -0.248 4.095 4.340 0.005 0.000 0.208 491 L C 2.481 179.442 176.870 0.151 0.000 1.073 491 L CA 1.421 56.327 54.840 0.111 0.000 0.745 491 L CB -0.687 41.410 42.059 0.065 0.000 0.894 491 L HN 0.108 nan 8.230 nan 0.000 0.432 492 S N -0.672 115.072 115.700 0.073 0.000 2.380 492 S HA -0.341 4.132 4.470 0.005 0.000 0.229 492 S C 1.905 176.526 174.600 0.034 0.000 1.043 492 S CA 1.789 60.011 58.200 0.037 0.000 1.038 492 S CB -0.352 62.839 63.200 -0.015 0.000 0.872 492 S HN 0.456 nan 8.310 nan 0.000 0.456 493 Q N 0.355 120.171 119.800 0.026 0.000 2.224 493 Q HA 0.017 4.360 4.340 0.005 0.000 0.203 493 Q C 1.699 177.734 176.000 0.058 0.000 0.970 493 Q CA 0.909 56.725 55.803 0.021 0.000 0.865 493 Q CB -0.104 28.635 28.738 0.001 0.000 0.922 493 Q HN 0.500 nan 8.270 nan 0.000 0.445 494 L N -1.112 120.186 121.223 0.125 0.000 2.558 494 L HA 0.183 4.527 4.340 0.005 0.000 0.225 494 L C 1.078 178.032 176.870 0.140 0.000 1.128 494 L CA 0.573 55.520 54.840 0.179 0.000 0.868 494 L CB 0.285 42.499 42.059 0.257 0.000 1.006 494 L HN 0.529 nan 8.230 nan 0.000 0.454 495 G N -0.692 108.135 108.800 0.045 0.000 2.154 495 G HA2 -0.265 3.699 3.960 0.005 0.000 0.186 495 G HA3 -0.265 3.699 3.960 0.005 0.000 0.186 495 G C 0.090 174.777 174.900 -0.356 0.000 1.000 495 G CA -0.567 44.424 45.100 -0.181 0.000 0.664 495 G HN 0.221 nan 8.290 nan 0.000 0.513 496 F N 2.156 122.083 119.950 -0.039 0.000 2.983 496 F HA 0.340 4.870 4.527 0.005 0.000 0.307 496 F C 0.782 176.550 175.800 -0.054 0.000 1.218 496 F CA -1.271 56.702 58.000 -0.045 0.000 1.323 496 F CB 0.372 39.347 39.000 -0.041 0.000 0.989 496 F HN -0.039 nan 8.300 nan 0.000 0.509 497 D N 0.795 121.208 120.400 0.021 0.000 2.419 497 D HA 0.012 4.655 4.640 0.005 0.000 0.236 497 D C 0.323 176.598 176.300 -0.041 0.000 1.165 497 D CA 0.419 54.410 54.000 -0.015 0.000 0.882 497 D CB 1.712 42.489 40.800 -0.037 0.000 1.201 497 D HN -0.132 nan 8.370 nan 0.000 0.443 498 V N 2.271 122.138 119.914 -0.077 0.000 2.655 498 V HA -0.015 4.108 4.120 0.005 0.000 0.300 498 V C 1.465 177.465 176.094 -0.156 0.000 1.044 498 V CA 0.106 62.308 62.300 -0.163 0.000 1.095 498 V CB 1.306 32.981 31.823 -0.246 0.000 0.952 498 V HN 0.493 nan 8.190 nan 0.000 0.485 499 V N 1.400 121.212 119.914 -0.170 0.000 3.556 499 V HA 0.803 4.927 4.120 0.005 0.000 0.287 499 V C 0.559 176.584 176.094 -0.114 0.000 1.422 499 V CA 0.650 62.890 62.300 -0.100 0.000 1.038 499 V CB 0.116 31.907 31.823 -0.055 0.000 0.850 499 V HN 1.213 nan 8.190 nan 0.000 0.437 500 G N -0.597 108.053 108.800 -0.250 0.000 2.358 500 G HA2 0.376 4.339 3.960 0.005 0.000 0.301 500 G HA3 0.376 4.339 3.960 0.005 0.000 0.301 500 G C -1.827 172.852 174.900 -0.369 0.000 1.539 500 G CA -0.715 44.256 45.100 -0.214 0.000 0.893 500 G HN 0.121 nan 8.290 nan 0.000 0.636 501 Y N 1.050 121.337 120.300 -0.021 0.000 2.944 501 Y HA 0.630 5.183 4.550 0.005 0.000 0.335 501 Y C 1.038 176.915 175.900 -0.038 0.000 1.075 501 Y CA 0.441 58.518 58.100 -0.037 0.000 1.240 501 Y CB 1.400 39.828 38.460 -0.055 0.000 1.167 501 Y HN 0.997 nan 8.280 nan 0.000 0.555 502 G N -1.017 107.806 108.800 0.038 0.000 2.634 502 G HA2 0.226 4.189 3.960 0.005 0.000 0.309 502 G HA3 0.226 4.189 3.960 0.005 0.000 0.309 502 G C -0.050 174.799 174.900 -0.084 0.000 1.299 502 G CA -0.492 44.595 45.100 -0.023 0.000 0.798 502 G HN 0.416 nan 8.290 nan 0.000 0.490 503 C N -0.260 118.926 119.300 -0.190 0.000 2.476 503 C HA 0.216 4.679 4.460 0.005 0.000 0.278 503 C C 2.104 177.014 174.990 -0.133 0.000 1.274 503 C CA 1.445 60.325 59.018 -0.230 0.000 1.713 503 C CB -1.467 25.962 27.740 -0.518 0.000 2.039 503 C HN 0.750 nan 8.230 nan 0.000 0.484 504 M N -0.537 118.991 119.600 -0.121 0.000 7.319 504 M HA -0.364 4.120 4.480 0.005 0.000 0.305 504 M C 1.419 177.703 176.300 -0.026 0.000 0.480 504 M CA 2.191 57.458 55.300 -0.055 0.000 1.311 504 M CB -2.072 30.503 32.600 -0.042 0.000 0.421 504 M HN 0.310 nan 8.290 nan 0.000 0.673 505 T N 0.355 114.906 114.554 -0.006 0.000 2.759 505 T HA -0.182 4.172 4.350 0.005 0.000 0.269 505 T C 1.590 176.304 174.700 0.024 0.000 1.042 505 T CA 1.791 63.904 62.100 0.022 0.000 1.140 505 T CB -0.658 68.227 68.868 0.029 0.000 0.864 505 T HN 0.632 nan 8.240 nan 0.000 0.455 506 C N 0.921 120.222 119.300 0.003 0.000 2.391 506 C HA -0.111 4.352 4.460 0.005 0.000 0.276 506 C C 2.302 177.312 174.990 0.033 0.000 1.217 506 C CA 0.649 59.671 59.018 0.007 0.000 1.766 506 C CB -1.219 26.509 27.740 -0.021 0.000 2.046 506 C HN 0.551 nan 8.230 nan 0.000 0.475 507 I N 0.186 120.767 120.570 0.018 0.000 3.793 507 I HA 0.296 4.469 4.170 0.005 0.000 0.315 507 I C 1.529 177.718 176.117 0.121 0.000 1.275 507 I CA 1.290 62.638 61.300 0.080 0.000 1.214 507 I CB -0.477 37.538 38.000 0.024 0.000 1.018 507 I HN 0.561 nan 8.210 nan 0.000 0.439 508 G N 1.017 109.870 108.800 0.088 0.000 2.141 508 G HA2 -0.288 3.675 3.960 0.005 0.000 0.242 508 G HA3 -0.288 3.675 3.960 0.005 0.000 0.242 508 G C 0.353 175.300 174.900 0.078 0.000 0.982 508 G CA 0.173 45.328 45.100 0.092 0.000 0.662 508 G HN 0.352 nan 8.290 nan 0.000 0.527 509 N N 1.217 119.953 118.700 0.061 0.000 3.259 509 N HA 0.321 5.064 4.740 0.005 0.000 0.308 509 N C 1.612 177.143 175.510 0.034 0.000 1.334 509 N CA 0.671 53.749 53.050 0.047 0.000 1.202 509 N CB 0.481 38.980 38.487 0.020 0.000 1.485 509 N HN 0.565 nan 8.380 nan 0.000 0.549 510 S N -1.696 114.034 115.700 0.050 0.000 2.524 510 S HA 0.298 4.772 4.470 0.005 0.000 0.216 510 S C 1.176 175.828 174.600 0.085 0.000 0.987 510 S CA 0.029 58.277 58.200 0.079 0.000 0.909 510 S CB 0.109 63.400 63.200 0.151 0.000 0.781 510 S HN 0.483 nan 8.310 nan 0.000 0.521 511 G N 2.418 111.246 108.800 0.047 0.000 2.741 511 G HA2 -0.127 3.837 3.960 0.005 0.000 0.222 511 G HA3 -0.127 3.837 3.960 0.005 0.000 0.222 511 G C -3.156 171.792 174.900 0.080 0.000 1.364 511 G CA -0.543 44.564 45.100 0.013 0.000 0.866 511 G HN 0.415 nan 8.290 nan 0.000 0.555 512 P HA 0.532 nan 4.420 nan 0.000 0.278 512 P C 0.093 177.447 177.300 0.090 0.000 1.238 512 P CA -0.379 62.777 63.100 0.092 0.000 0.794 512 P CB 0.902 32.592 31.700 -0.017 0.000 0.955 513 L N 3.452 124.735 121.223 0.100 0.000 2.399 513 L HA 0.417 4.760 4.340 0.005 0.000 0.265 513 L C -1.677 175.180 176.870 -0.022 0.000 1.089 513 L CA -2.168 52.631 54.840 -0.068 0.000 0.802 513 L CB 0.469 42.400 42.059 -0.214 0.000 1.180 513 L HN 0.295 nan 8.230 nan 0.000 0.454 514 P HA 0.004 nan 4.420 nan 0.000 0.269 514 P C -0.011 177.304 177.300 0.026 0.000 1.209 514 P CA -0.148 62.998 63.100 0.076 0.000 0.776 514 P CB 0.942 32.767 31.700 0.208 0.000 0.876 515 E N 3.554 123.787 120.200 0.055 0.000 2.085 515 E HA -0.151 4.203 4.350 0.005 0.000 0.194 515 E C -0.911 175.682 176.600 -0.012 0.000 0.994 515 E CA 2.087 58.497 56.400 0.017 0.000 0.801 515 E CB -1.741 27.977 29.700 0.029 0.000 0.743 515 E HN 0.409 nan 8.360 nan 0.000 0.453 516 P HA -0.075 nan 4.420 nan 0.000 0.221 516 P C 1.232 178.305 177.300 -0.378 0.000 1.150 516 P CA 0.738 63.836 63.100 -0.003 0.000 0.800 516 P CB 0.151 32.008 31.700 0.261 0.000 0.787 517 V N -0.535 119.079 119.914 -0.501 0.000 2.323 517 V HA -0.162 3.962 4.120 0.005 0.000 0.244 517 V C 2.450 178.274 176.094 -0.449 0.000 1.041 517 V CA 1.501 63.315 62.300 -0.809 0.000 1.025 517 V CB -1.120 30.374 31.823 -0.549 0.000 0.656 517 V HN -0.053 nan 8.190 nan 0.000 0.451 518 V N -0.267 119.500 119.914 -0.244 0.000 2.287 518 V HA -0.261 3.862 4.120 0.005 0.000 0.248 518 V C 2.595 178.613 176.094 -0.127 0.000 1.053 518 V CA 2.000 64.217 62.300 -0.139 0.000 1.027 518 V CB -0.615 31.172 31.823 -0.059 0.000 0.646 518 V HN 0.560 nan 8.190 nan 0.000 0.447 519 E N 0.183 120.310 120.200 -0.122 0.000 2.033 519 E HA -0.290 4.064 4.350 0.005 0.000 0.199 519 E C 2.389 178.932 176.600 -0.096 0.000 1.011 519 E CA 1.790 58.141 56.400 -0.081 0.000 0.815 519 E CB -0.421 29.250 29.700 -0.048 0.000 0.755 519 E HN 0.563 nan 8.360 nan 0.000 0.451 520 A N 1.019 123.740 122.820 -0.165 0.000 1.948 520 A HA -0.205 4.118 4.320 0.005 0.000 0.220 520 A C 2.271 179.784 177.584 -0.119 0.000 1.177 520 A CA 1.473 53.431 52.037 -0.132 0.000 0.636 520 A CB -0.703 18.163 19.000 -0.223 0.000 0.815 520 A HN 0.215 nan 8.150 nan 0.000 0.449 521 I N -0.059 120.420 120.570 -0.152 0.000 2.142 521 I HA -0.237 3.936 4.170 0.005 0.000 0.240 521 I C 2.686 178.763 176.117 -0.066 0.000 1.078 521 I CA 1.923 63.158 61.300 -0.108 0.000 1.343 521 I CB -0.593 37.345 38.000 -0.103 0.000 1.046 521 I HN 0.434 nan 8.210 nan 0.000 0.405 522 T N -1.779 112.743 114.554 -0.054 0.000 2.942 522 T HA -0.132 4.221 4.350 0.005 0.000 0.265 522 T C 1.791 176.476 174.700 -0.026 0.000 1.062 522 T CA 0.723 62.805 62.100 -0.030 0.000 1.139 522 T CB -0.198 68.658 68.868 -0.020 0.000 0.883 522 T HN 0.137 nan 8.240 nan 0.000 0.468 523 Q N 1.119 120.901 119.800 -0.030 0.000 2.269 523 Q HA 0.270 4.613 4.340 0.005 0.000 0.201 523 Q C 2.322 178.310 176.000 -0.021 0.000 0.946 523 Q CA 1.149 56.941 55.803 -0.019 0.000 0.877 523 Q CB -0.579 28.153 28.738 -0.010 0.000 0.963 523 Q HN 0.627 nan 8.270 nan 0.000 0.472 524 G N -0.979 107.800 108.800 -0.034 0.000 2.838 524 G HA2 -0.029 3.934 3.960 0.005 0.000 0.210 524 G HA3 -0.029 3.934 3.960 0.005 0.000 0.210 524 G C -0.479 174.391 174.900 -0.051 0.000 1.153 524 G CA 0.199 45.273 45.100 -0.044 0.000 0.778 524 G HN 0.269 nan 8.290 nan 0.000 0.539 525 D N -0.441 119.936 120.400 -0.038 0.000 2.705 525 D HA -0.133 4.510 4.640 0.005 0.000 0.240 525 D C 0.220 176.536 176.300 0.026 0.000 1.137 525 D CA 0.559 54.555 54.000 -0.007 0.000 0.677 525 D CB -1.555 39.237 40.800 -0.012 0.000 1.049 525 D HN 0.316 nan 8.370 nan 0.000 0.427 526 L N -0.564 120.623 121.223 -0.060 0.000 2.357 526 L HA 0.415 4.759 4.340 0.005 0.000 0.273 526 L C 0.945 177.836 176.870 0.035 0.000 1.080 526 L CA -1.080 53.671 54.840 -0.149 0.000 0.803 526 L CB 1.453 43.370 42.059 -0.236 0.000 1.174 526 L HN -0.192 nan 8.230 nan 0.000 0.443 527 V N 2.843 122.894 119.914 0.228 0.000 2.313 527 V HA 0.272 4.395 4.120 0.005 0.000 0.252 527 V C 0.673 176.794 176.094 0.045 0.000 1.112 527 V CA -0.394 61.928 62.300 0.038 0.000 0.984 527 V CB 0.242 31.965 31.823 -0.166 0.000 1.157 527 V HN 0.789 nan 8.190 nan 0.000 0.493 528 A N 5.128 127.940 122.820 -0.014 0.000 2.331 528 A HA 0.724 5.047 4.320 0.005 0.000 0.283 528 A C -0.270 177.307 177.584 -0.011 0.000 1.142 528 A CA -0.354 51.667 52.037 -0.025 0.000 0.812 528 A CB 0.928 19.896 19.000 -0.053 0.000 1.074 528 A HN 0.550 nan 8.150 nan 0.000 0.497 529 V N 1.832 121.732 119.914 -0.023 0.000 2.435 529 V HA 0.626 4.749 4.120 0.005 0.000 0.290 529 V C 0.825 176.927 176.094 0.014 0.000 1.030 529 V CA -0.136 62.173 62.300 0.016 0.000 0.881 529 V CB 1.700 33.492 31.823 -0.051 0.000 0.983 529 V HN 1.109 nan 8.190 nan 0.000 0.445 530 G N 3.501 112.338 108.800 0.061 0.000 2.335 530 G HA2 0.575 4.538 3.960 0.005 0.000 0.314 530 G HA3 0.575 4.538 3.960 0.005 0.000 0.314 530 G C -0.884 174.079 174.900 0.106 0.000 1.129 530 G CA -0.328 44.805 45.100 0.056 0.000 0.912 530 G HN 0.543 nan 8.290 nan 0.000 0.443 531 V N 3.711 123.681 119.914 0.092 0.000 2.435 531 V HA 0.718 4.842 4.120 0.005 0.000 0.290 531 V C 0.187 176.361 176.094 0.133 0.000 1.030 531 V CA -0.587 61.790 62.300 0.129 0.000 0.881 531 V CB 0.870 32.762 31.823 0.115 0.000 0.983 531 V HN 0.819 nan 8.190 nan 0.000 0.445 532 L N 2.314 123.616 121.223 0.131 0.000 2.466 532 L HA 0.691 5.035 4.340 0.005 0.000 0.258 532 L C 0.321 177.248 176.870 0.096 0.000 0.973 532 L CA -0.557 54.347 54.840 0.107 0.000 0.826 532 L CB 2.425 44.530 42.059 0.077 0.000 1.372 532 L HN 0.494 nan 8.230 nan 0.000 0.409 533 S N 0.070 115.819 115.700 0.082 0.000 2.930 533 S HA 0.430 4.903 4.470 0.005 0.000 0.257 533 S C 0.566 175.187 174.600 0.035 0.000 1.208 533 S CA -0.028 58.209 58.200 0.063 0.000 1.233 533 S CB -0.837 62.395 63.200 0.054 0.000 0.900 533 S HN 1.023 nan 8.310 nan 0.000 0.472 534 G N 1.817 110.633 108.800 0.027 0.000 2.543 534 G HA2 0.428 4.391 3.960 0.005 0.000 0.267 534 G HA3 0.428 4.391 3.960 0.005 0.000 0.267 534 G C 0.425 175.308 174.900 -0.028 0.000 1.406 534 G CA -0.594 44.501 45.100 -0.008 0.000 1.048 534 G HN 0.526 nan 8.290 nan 0.000 0.548 535 N N -2.120 116.541 118.700 -0.064 0.000 2.159 535 N HA 0.161 4.904 4.740 0.005 0.000 0.217 535 N C 0.308 175.777 175.510 -0.069 0.000 1.223 535 N CA -0.254 52.757 53.050 -0.067 0.000 0.896 535 N CB 0.892 39.293 38.487 -0.144 0.000 1.064 535 N HN 0.337 nan 8.380 nan 0.000 0.518 536 R N 0.297 120.738 120.500 -0.099 0.000 2.548 536 R HA 0.364 4.707 4.340 0.005 0.000 0.280 536 R C -1.130 175.032 176.300 -0.230 0.000 1.061 536 R CA -0.540 55.420 56.100 -0.232 0.000 0.915 536 R CB 1.128 31.398 30.300 -0.049 0.000 1.210 536 R HN 0.214 nan 8.270 nan 0.000 0.442 537 N N 2.203 120.644 118.700 -0.431 0.000 2.547 537 N HA 0.068 4.811 4.740 0.005 0.000 0.285 537 N C -1.029 174.392 175.510 -0.148 0.000 1.600 537 N CA -0.359 52.562 53.050 -0.215 0.000 0.872 537 N CB 0.148 38.527 38.487 -0.179 0.000 1.412 537 N HN 0.194 nan 8.380 nan 0.000 0.489 538 F N 2.794 122.798 119.950 0.091 0.000 2.484 538 F HA 0.136 4.666 4.527 0.005 0.000 0.360 538 F C 1.367 177.240 175.800 0.121 0.000 1.101 538 F CA -1.151 56.925 58.000 0.127 0.000 1.251 538 F CB 0.520 39.609 39.000 0.148 0.000 1.132 538 F HN 0.114 nan 8.300 nan 0.000 0.570 539 E N 1.319 121.733 120.200 0.357 0.000 2.966 539 E HA 0.157 4.510 4.350 0.005 0.000 0.254 539 E C 1.106 177.814 176.600 0.179 0.000 0.923 539 E CA 0.650 57.193 56.400 0.238 0.000 0.960 539 E CB -0.274 29.563 29.700 0.229 0.000 0.901 539 E HN 0.923 nan 8.360 nan 0.000 0.525 540 G N 4.215 113.100 108.800 0.141 0.000 2.317 540 G HA2 -0.422 3.541 3.960 0.005 0.000 0.227 540 G HA3 -0.422 3.541 3.960 0.005 0.000 0.227 540 G C 1.084 176.043 174.900 0.097 0.000 1.042 540 G CA 0.259 45.419 45.100 0.100 0.000 0.623 540 G HN 0.594 nan 8.290 nan 0.000 0.509 541 R N 0.808 121.385 120.500 0.129 0.000 2.237 541 R HA 0.210 4.553 4.340 0.005 0.000 0.219 541 R C 2.280 178.648 176.300 0.114 0.000 1.080 541 R CA 1.782 57.960 56.100 0.131 0.000 0.995 541 R CB -0.153 30.262 30.300 0.191 0.000 0.875 541 R HN 0.450 nan 8.270 nan 0.000 0.462 542 V N -0.872 119.109 119.914 0.111 0.000 2.391 542 V HA 0.029 4.152 4.120 0.005 0.000 0.237 542 V C 0.791 176.973 176.094 0.146 0.000 1.046 542 V CA 0.982 63.350 62.300 0.114 0.000 1.053 542 V CB -0.102 31.786 31.823 0.108 0.000 0.704 542 V HN 0.334 nan 8.190 nan 0.000 0.475 543 H N -0.935 118.161 119.070 0.044 0.000 3.029 543 H HA 0.265 4.824 4.556 0.005 0.000 0.358 543 H C -2.448 172.899 175.328 0.031 0.000 1.129 543 H CA -1.311 54.755 56.048 0.030 0.000 1.230 543 H CB 2.565 32.334 29.762 0.012 0.000 1.827 543 H HN -0.057 nan 8.280 nan 0.000 0.530 544 P HA -0.106 nan 4.420 nan 0.000 0.218 544 P C 0.490 177.878 177.300 0.146 0.000 1.146 544 P CA 1.136 64.237 63.100 0.003 0.000 0.813 544 P CB 0.394 32.026 31.700 -0.114 0.000 0.778 545 N N -1.241 117.677 118.700 0.364 0.000 2.279 545 N HA 0.044 4.788 4.740 0.005 0.000 0.226 545 N C -0.142 175.427 175.510 0.099 0.000 1.126 545 N CA 0.436 53.599 53.050 0.188 0.000 0.846 545 N CB 0.067 38.637 38.487 0.139 0.000 1.050 545 N HN 0.206 nan 8.380 nan 0.000 0.502 546 T N -2.365 112.266 114.554 0.128 0.000 2.864 546 T HA 0.392 4.745 4.350 0.005 0.000 0.310 546 T C 0.914 175.663 174.700 0.081 0.000 1.040 546 T CA -0.786 61.357 62.100 0.072 0.000 0.977 546 T CB 1.632 70.543 68.868 0.072 0.000 0.976 546 T HN -0.078 nan 8.240 nan 0.000 0.459 547 R N 1.773 122.298 120.500 0.043 0.000 2.236 547 R HA 0.296 4.640 4.340 0.005 0.000 0.208 547 R C 0.718 177.091 176.300 0.121 0.000 1.036 547 R CA 0.407 56.540 56.100 0.054 0.000 1.001 547 R CB 0.247 30.517 30.300 -0.050 0.000 0.896 547 R HN 0.761 nan 8.270 nan 0.000 0.464 548 A N 1.454 124.338 122.820 0.106 0.000 2.353 548 A HA 0.468 4.791 4.320 0.005 0.000 0.299 548 A C -1.101 176.566 177.584 0.139 0.000 1.089 548 A CA -0.836 51.331 52.037 0.215 0.000 0.736 548 A CB 0.946 20.204 19.000 0.431 0.000 1.195 548 A HN 0.043 nan 8.150 nan 0.000 0.447 549 N N 1.372 120.065 118.700 -0.010 0.000 2.346 549 N HA 0.488 5.231 4.740 0.005 0.000 0.289 549 N C -1.961 173.442 175.510 -0.179 0.000 1.027 549 N CA -0.011 53.040 53.050 0.001 0.000 0.864 549 N CB 1.762 40.264 38.487 0.025 0.000 1.370 549 N HN 0.574 nan 8.380 nan 0.000 0.481 550 Y N 1.218 121.541 120.300 0.038 0.000 2.331 550 Y HA 0.407 4.960 4.550 0.005 0.000 0.334 550 Y C 0.407 176.329 175.900 0.037 0.000 0.960 550 Y CA -0.754 57.365 58.100 0.032 0.000 1.130 550 Y CB 1.506 39.963 38.460 -0.004 0.000 1.164 550 Y HN 0.216 nan 8.280 nan 0.000 0.458 551 L N 3.943 125.256 121.223 0.150 0.000 2.380 551 L HA 0.698 5.041 4.340 0.005 0.000 0.273 551 L C 0.166 177.133 176.870 0.163 0.000 1.138 551 L CA -0.297 54.612 54.840 0.115 0.000 0.832 551 L CB 0.482 42.573 42.059 0.055 0.000 1.124 551 L HN 0.787 nan 8.230 nan 0.000 0.454 552 A N 1.740 124.651 122.820 0.152 0.000 2.604 552 A HA 0.557 4.880 4.320 0.005 0.000 0.295 552 A C -0.302 177.367 177.584 0.141 0.000 1.067 552 A CA -0.547 51.597 52.037 0.178 0.000 0.683 552 A CB 1.477 20.628 19.000 0.252 0.000 1.281 552 A HN 0.694 nan 8.150 nan 0.000 0.407 553 S N 1.578 117.364 115.700 0.143 0.000 2.566 553 S HA 0.263 4.736 4.470 0.005 0.000 0.280 553 S C -1.645 173.000 174.600 0.075 0.000 1.343 553 S CA 0.134 58.399 58.200 0.108 0.000 1.036 553 S CB 0.201 63.485 63.200 0.141 0.000 0.866 553 S HN 0.410 nan 8.310 nan 0.000 0.526 554 P HA -0.128 nan 4.420 nan 0.000 0.217 554 P C -1.267 175.957 177.300 -0.127 0.000 1.158 554 P CA 1.704 64.776 63.100 -0.047 0.000 0.887 554 P CB -1.206 30.456 31.700 -0.062 0.000 0.792 555 P HA -0.119 nan 4.420 nan 0.000 0.218 555 P C 1.699 178.918 177.300 -0.135 0.000 1.149 555 P CA 1.336 64.236 63.100 -0.334 0.000 0.817 555 P CB -0.448 30.810 31.700 -0.736 0.000 0.785 556 L N -0.820 120.462 121.223 0.097 0.000 2.093 556 L HA -0.108 4.236 4.340 0.005 0.000 0.208 556 L C 2.667 179.626 176.870 0.150 0.000 1.085 556 L CA 1.003 55.933 54.840 0.149 0.000 0.755 556 L CB -0.850 41.354 42.059 0.241 0.000 0.904 556 L HN -0.167 nan 8.230 nan 0.000 0.435 557 V N 0.280 120.271 119.914 0.128 0.000 2.332 557 V HA -0.336 3.787 4.120 0.005 0.000 0.248 557 V C 2.288 178.444 176.094 0.103 0.000 1.055 557 V CA 1.888 64.283 62.300 0.157 0.000 1.038 557 V CB -0.311 31.580 31.823 0.113 0.000 0.651 557 V HN 0.343 nan 8.190 nan 0.000 0.450 558 I N -0.033 120.468 120.570 -0.116 0.000 2.286 558 I HA -0.174 3.999 4.170 0.005 0.000 0.245 558 I C 2.708 178.797 176.117 -0.047 0.000 1.104 558 I CA 1.250 62.431 61.300 -0.199 0.000 1.397 558 I CB -0.698 37.040 38.000 -0.438 0.000 1.072 558 I HN 0.306 nan 8.210 nan 0.000 0.417 559 A N 0.737 123.504 122.820 -0.089 0.000 1.892 559 A HA -0.272 4.051 4.320 0.005 0.000 0.218 559 A C 2.151 179.735 177.584 -0.000 0.000 1.188 559 A CA 1.789 53.739 52.037 -0.144 0.000 0.631 559 A CB -1.243 17.529 19.000 -0.380 0.000 0.822 559 A HN 0.456 nan 8.150 nan 0.000 0.447 560 Y N -0.473 119.940 120.300 0.187 0.000 2.373 560 Y HA 0.002 4.555 4.550 0.005 0.000 0.293 560 Y C 2.830 178.791 175.900 0.102 0.000 1.129 560 Y CA 0.454 58.663 58.100 0.181 0.000 1.226 560 Y CB -0.175 38.363 38.460 0.129 0.000 1.000 560 Y HN 0.375 nan 8.280 nan 0.000 0.549 561 A N 0.469 123.434 122.820 0.243 0.000 1.877 561 A HA -0.176 4.147 4.320 0.005 0.000 0.216 561 A C 2.126 179.769 177.584 0.098 0.000 1.186 561 A CA 1.690 53.829 52.037 0.170 0.000 0.620 561 A CB -0.909 18.274 19.000 0.305 0.000 0.822 561 A HN 0.478 nan 8.150 nan 0.000 0.443 562 I N -0.369 120.263 120.570 0.102 0.000 2.202 562 I HA -0.237 3.936 4.170 0.005 0.000 0.242 562 I C 2.924 179.086 176.117 0.075 0.000 1.091 562 I CA 1.062 62.403 61.300 0.068 0.000 1.368 562 I CB -0.277 37.751 38.000 0.047 0.000 1.058 562 I HN 0.342 nan 8.210 nan 0.000 0.410 563 A N 0.183 123.080 122.820 0.129 0.000 1.969 563 A HA 0.040 4.364 4.320 0.005 0.000 0.218 563 A C 2.124 179.759 177.584 0.085 0.000 1.169 563 A CA 1.406 53.519 52.037 0.127 0.000 0.635 563 A CB -0.925 18.197 19.000 0.204 0.000 0.810 563 A HN 0.598 nan 8.150 nan 0.000 0.445 564 G N -2.439 106.414 108.800 0.088 0.000 2.184 564 G HA2 -0.176 3.787 3.960 0.005 0.000 0.264 564 G HA3 -0.176 3.787 3.960 0.005 0.000 0.264 564 G C 0.441 175.364 174.900 0.039 0.000 0.975 564 G CA 1.246 46.368 45.100 0.036 0.000 0.642 564 G HN 1.574 nan 8.290 nan 0.000 0.536 565 T N -1.257 113.326 114.554 0.049 0.000 2.885 565 T HA 0.520 4.873 4.350 0.005 0.000 0.322 565 T C 1.100 175.760 174.700 -0.066 0.000 1.387 565 T CA 0.096 62.169 62.100 -0.044 0.000 1.041 565 T CB 1.029 69.865 68.868 -0.053 0.000 1.287 565 T HN 1.069 nan 8.240 nan 0.000 0.491 566 I N 0.970 121.345 120.570 -0.325 0.000 3.603 566 I HA 0.469 4.642 4.170 0.005 0.000 0.297 566 I C 1.196 177.113 176.117 -0.333 0.000 1.269 566 I CA 0.156 61.151 61.300 -0.508 0.000 1.361 566 I CB -0.201 37.207 38.000 -0.985 0.000 1.063 566 I HN 0.348 nan 8.210 nan 0.000 0.448 567 R N 2.285 122.611 120.500 -0.291 0.000 3.688 567 R HA 0.539 4.882 4.340 0.005 0.000 0.194 567 R C -0.737 175.487 176.300 -0.126 0.000 1.677 567 R CA -0.008 55.999 56.100 -0.155 0.000 1.351 567 R CB -0.304 29.951 30.300 -0.076 0.000 1.338 567 R HN 0.462 nan 8.270 nan 0.000 0.731 568 I N -0.420 120.038 120.570 -0.185 0.000 2.692 568 I HA 0.177 4.350 4.170 0.005 0.000 0.293 568 I C -1.404 174.505 176.117 -0.346 0.000 1.200 568 I CA -0.678 60.451 61.300 -0.286 0.000 1.036 568 I CB 2.326 40.061 38.000 -0.441 0.000 1.258 568 I HN 0.202 nan 8.210 nan 0.000 0.421 569 D N 6.712 126.982 120.400 -0.217 0.000 2.467 569 D HA 0.207 4.850 4.640 0.005 0.000 0.220 569 D C 0.690 176.961 176.300 -0.049 0.000 1.103 569 D CA -0.219 53.710 54.000 -0.119 0.000 0.886 569 D CB 0.625 41.417 40.800 -0.015 0.000 1.025 569 D HN 0.522 nan 8.370 nan 0.000 0.514 570 F N 1.613 121.594 119.950 0.051 0.000 2.307 570 F HA -0.186 4.345 4.527 0.005 0.000 0.301 570 F C 2.522 178.435 175.800 0.189 0.000 1.076 570 F CA 0.739 58.782 58.000 0.071 0.000 1.383 570 F CB 0.326 39.314 39.000 -0.019 0.000 1.055 570 F HN 0.452 nan 8.300 nan 0.000 0.526 571 E N 0.737 121.100 120.200 0.271 0.000 2.190 571 E HA -0.146 4.207 4.350 0.005 0.000 0.191 571 E C 1.823 178.522 176.600 0.165 0.000 0.978 571 E CA 0.867 57.359 56.400 0.152 0.000 0.839 571 E CB -0.370 29.348 29.700 0.030 0.000 0.787 571 E HN 0.273 nan 8.360 nan 0.000 0.473 572 K N 1.883 122.403 120.400 0.200 0.000 2.137 572 K HA -0.043 4.281 4.320 0.005 0.000 0.202 572 K C 0.202 177.020 176.600 0.362 0.000 1.052 572 K CA 0.797 57.201 56.287 0.195 0.000 0.961 572 K CB 0.226 32.785 32.500 0.098 0.000 0.741 572 K HN 0.242 nan 8.250 nan 0.000 0.452 573 E N 1.970 122.369 120.200 0.332 0.000 2.210 573 E HA 0.344 4.697 4.350 0.005 0.000 0.266 573 E C -2.595 173.870 176.600 -0.225 0.000 0.883 573 E CA -2.703 53.764 56.400 0.112 0.000 0.761 573 E CB 1.720 31.423 29.700 0.004 0.000 1.156 573 E HN 0.028 nan 8.360 nan 0.000 0.412 574 P HA 0.076 nan 4.420 nan 0.000 0.276 574 P C 0.310 177.362 177.300 -0.414 0.000 1.261 574 P CA -0.428 61.958 63.100 -1.190 0.000 0.800 574 P CB 1.407 32.473 31.700 -1.057 0.000 1.066 575 L N -0.503 120.560 121.223 -0.267 0.000 2.068 575 L HA 0.194 4.537 4.340 0.005 0.000 0.204 575 L C 1.603 178.424 176.870 -0.081 0.000 1.076 575 L CA 1.715 56.507 54.840 -0.079 0.000 0.753 575 L CB -0.741 41.313 42.059 -0.008 0.000 0.910 575 L HN 0.588 nan 8.230 nan 0.000 0.439 576 G N -1.121 107.616 108.800 -0.105 0.000 2.650 576 G HA2 0.485 4.448 3.960 0.005 0.000 0.310 576 G HA3 0.485 4.448 3.960 0.005 0.000 0.310 576 G C -1.678 173.179 174.900 -0.070 0.000 1.270 576 G CA 0.029 45.089 45.100 -0.067 0.000 0.810 576 G HN -0.151 nan 8.290 nan 0.000 0.493 577 V N -1.023 118.871 119.914 -0.033 0.000 2.448 577 V HA 0.641 4.764 4.120 0.005 0.000 0.295 577 V C -0.273 175.820 176.094 -0.001 0.000 1.025 577 V CA -1.300 60.989 62.300 -0.017 0.000 0.859 577 V CB 1.477 33.294 31.823 -0.009 0.000 0.988 577 V HN 0.719 nan 8.190 nan 0.000 0.431 578 N N 3.367 122.072 118.700 0.008 0.000 2.488 578 N HA 0.281 5.025 4.740 0.005 0.000 0.274 578 N C 1.224 176.744 175.510 0.017 0.000 1.111 578 N CA 0.354 53.414 53.050 0.016 0.000 0.974 578 N CB 2.127 40.628 38.487 0.023 0.000 1.089 578 N HN 0.996 nan 8.380 nan 0.000 0.465 579 A N 3.840 126.669 122.820 0.016 0.000 2.245 579 A HA -0.160 4.164 4.320 0.005 0.000 0.217 579 A C 1.329 178.922 177.584 0.016 0.000 1.171 579 A CA 1.437 53.483 52.037 0.015 0.000 0.688 579 A CB 0.047 19.056 19.000 0.014 0.000 0.781 579 A HN 0.823 nan 8.150 nan 0.000 0.479 580 K N -2.593 117.818 120.400 0.018 0.000 2.572 580 K HA 0.245 4.568 4.320 0.005 0.000 0.234 580 K C 1.808 178.422 176.600 0.023 0.000 1.374 580 K CA 0.450 56.748 56.287 0.019 0.000 0.771 580 K CB -0.449 32.062 32.500 0.018 0.000 1.738 580 K HN 0.111 nan 8.250 nan 0.000 0.388 581 G N 1.142 109.958 108.800 0.027 0.000 2.956 581 G HA2 -0.091 3.873 3.960 0.005 0.000 0.207 581 G HA3 -0.091 3.873 3.960 0.005 0.000 0.207 581 G C 0.152 175.078 174.900 0.043 0.000 1.162 581 G CA 0.195 45.315 45.100 0.034 0.000 0.796 581 G HN 0.183 nan 8.290 nan 0.000 0.527 582 Q N -0.860 118.962 119.800 0.036 0.000 1.692 582 Q HA -0.226 4.117 4.340 0.005 0.000 0.332 582 Q C 0.215 176.241 176.000 0.043 0.000 0.767 582 Q CA 1.330 57.155 55.803 0.037 0.000 0.934 582 Q CB -1.475 27.288 28.738 0.041 0.000 2.756 582 Q HN 0.505 nan 8.270 nan 0.000 0.655 583 Q N 1.311 121.154 119.800 0.071 0.000 2.262 583 Q HA 0.197 4.540 4.340 0.005 0.000 0.298 583 Q C -0.103 175.959 176.000 0.104 0.000 1.083 583 Q CA 0.364 56.217 55.803 0.083 0.000 0.962 583 Q CB 0.206 29.093 28.738 0.248 0.000 1.104 583 Q HN 0.377 nan 8.270 nan 0.000 0.376 584 V N 5.908 125.811 119.914 -0.018 0.000 2.350 584 V HA 0.405 4.528 4.120 0.005 0.000 0.285 584 V C -1.102 174.951 176.094 -0.068 0.000 1.014 584 V CA -0.493 61.821 62.300 0.023 0.000 0.831 584 V CB 0.292 32.120 31.823 0.009 0.000 1.000 584 V HN 0.563 nan 8.190 nan 0.000 0.433 585 F N 4.856 124.830 119.950 0.040 0.000 2.440 585 F HA 0.429 4.960 4.527 0.005 0.000 0.328 585 F C 0.818 176.642 175.800 0.039 0.000 1.070 585 F CA -0.505 57.528 58.000 0.055 0.000 1.011 585 F CB 1.714 40.742 39.000 0.047 0.000 1.226 585 F HN 0.441 nan 8.300 nan 0.000 0.491 586 L N 2.283 123.637 121.223 0.218 0.000 2.043 586 L HA -0.228 4.116 4.340 0.005 0.000 0.212 586 L C 2.427 179.359 176.870 0.102 0.000 1.075 586 L CA 1.916 56.785 54.840 0.047 0.000 0.752 586 L CB -0.786 41.128 42.059 -0.241 0.000 0.891 586 L HN 0.719 nan 8.230 nan 0.000 0.432 587 K N -0.743 119.731 120.400 0.123 0.000 2.089 587 K HA -0.243 4.080 4.320 0.005 0.000 0.210 587 K C 1.515 178.182 176.600 0.111 0.000 1.048 587 K CA 2.056 58.393 56.287 0.083 0.000 0.926 587 K CB -0.215 32.311 32.500 0.043 0.000 0.714 587 K HN 0.455 nan 8.250 nan 0.000 0.448 588 D N 0.019 120.496 120.400 0.128 0.000 2.277 588 D HA -0.054 4.589 4.640 0.005 0.000 0.208 588 D C 1.710 178.053 176.300 0.072 0.000 0.962 588 D CA 0.911 54.969 54.000 0.096 0.000 0.865 588 D CB 0.151 41.017 40.800 0.110 0.000 0.939 588 D HN 0.390 nan 8.370 nan 0.000 0.510 589 I N -0.954 119.663 120.570 0.079 0.000 3.854 589 I HA 0.033 4.206 4.170 0.005 0.000 0.312 589 I C 0.791 176.920 176.117 0.020 0.000 1.273 589 I CA -0.285 61.030 61.300 0.025 0.000 1.298 589 I CB 0.542 38.540 38.000 -0.004 0.000 1.071 589 I HN -0.010 nan 8.210 nan 0.000 0.428 590 W N 6.713 127.959 121.300 -0.091 0.000 2.368 590 W HA 0.162 4.826 4.660 0.005 0.000 0.316 590 W C -2.340 174.133 176.519 -0.076 0.000 1.375 590 W CA -1.401 55.883 57.345 -0.102 0.000 1.261 590 W CB 0.554 29.948 29.460 -0.110 0.000 1.298 590 W HN -0.069 nan 8.180 nan 0.000 0.539 591 P HA 0.069 nan 4.420 nan 0.000 0.275 591 P C -0.082 177.224 177.300 0.009 0.000 1.227 591 P CA 0.154 63.163 63.100 -0.150 0.000 0.781 591 P CB 1.139 32.679 31.700 -0.266 0.000 0.906 592 T N -0.346 114.234 114.554 0.043 0.000 2.816 592 T HA 0.237 4.590 4.350 0.005 0.000 0.282 592 T C 1.390 176.107 174.700 0.028 0.000 0.993 592 T CA -0.713 61.432 62.100 0.074 0.000 0.994 592 T CB 0.989 69.879 68.868 0.036 0.000 1.025 592 T HN 0.369 nan 8.240 nan 0.000 0.529 593 R N 0.288 120.804 120.500 0.028 0.000 2.117 593 R HA -0.175 4.169 4.340 0.005 0.000 0.243 593 R C 1.292 177.579 176.300 -0.022 0.000 1.143 593 R CA 2.123 58.223 56.100 -0.000 0.000 0.968 593 R CB -0.375 29.914 30.300 -0.019 0.000 0.863 593 R HN 0.675 nan 8.270 nan 0.000 0.444 594 D N -0.295 120.090 120.400 -0.025 0.000 2.183 594 D HA -0.084 4.559 4.640 0.005 0.000 0.205 594 D C 1.606 177.887 176.300 -0.030 0.000 0.962 594 D CA 0.936 54.918 54.000 -0.030 0.000 0.849 594 D CB -0.060 40.722 40.800 -0.030 0.000 0.978 594 D HN 0.389 nan 8.370 nan 0.000 0.488 595 E N 0.333 120.516 120.200 -0.029 0.000 2.110 595 E HA -0.106 4.247 4.350 0.005 0.000 0.193 595 E C 2.133 178.708 176.600 -0.042 0.000 0.988 595 E CA 0.571 56.950 56.400 -0.035 0.000 0.804 595 E CB 0.031 29.706 29.700 -0.042 0.000 0.745 595 E HN 0.306 nan 8.360 nan 0.000 0.458 596 I N 0.765 121.305 120.570 -0.050 0.000 2.286 596 I HA -0.252 3.922 4.170 0.005 0.000 0.245 596 I C 2.360 178.448 176.117 -0.048 0.000 1.104 596 I CA 1.000 62.265 61.300 -0.059 0.000 1.397 596 I CB -0.169 37.788 38.000 -0.071 0.000 1.072 596 I HN 0.060 nan 8.210 nan 0.000 0.417 597 Q N 0.681 120.455 119.800 -0.043 0.000 2.124 597 Q HA -0.193 4.150 4.340 0.005 0.000 0.202 597 Q C 2.438 178.412 176.000 -0.044 0.000 0.977 597 Q CA 1.799 57.576 55.803 -0.043 0.000 0.850 597 Q CB -0.247 28.467 28.738 -0.039 0.000 0.901 597 Q HN 0.601 nan 8.270 nan 0.000 0.429 598 A N 0.115 122.912 122.820 -0.038 0.000 1.854 598 A HA -0.116 4.207 4.320 0.005 0.000 0.214 598 A C 2.318 179.880 177.584 -0.036 0.000 1.192 598 A CA 1.220 53.232 52.037 -0.042 0.000 0.611 598 A CB -0.735 18.244 19.000 -0.035 0.000 0.832 598 A HN 0.196 nan 8.150 nan 0.000 0.442 599 V N 0.306 120.225 119.914 0.009 0.000 2.252 599 V HA -0.332 3.791 4.120 0.005 0.000 0.249 599 V C 2.546 178.689 176.094 0.082 0.000 1.056 599 V CA 2.497 64.867 62.300 0.116 0.000 1.022 599 V CB -0.930 30.968 31.823 0.125 0.000 0.641 599 V HN 0.768 nan 8.190 nan 0.000 0.445 600 E N 0.051 120.241 120.200 -0.017 0.000 2.070 600 E HA -0.304 4.049 4.350 0.005 0.000 0.197 600 E C 2.442 178.999 176.600 -0.072 0.000 1.004 600 E CA 1.740 58.090 56.400 -0.084 0.000 0.805 600 E CB -0.113 29.525 29.700 -0.104 0.000 0.744 600 E HN 0.445 nan 8.360 nan 0.000 0.451 601 R N -0.085 120.374 120.500 -0.068 0.000 2.096 601 R HA -0.166 4.177 4.340 0.005 0.000 0.235 601 R C 2.540 178.777 176.300 -0.106 0.000 1.127 601 R CA 2.106 58.161 56.100 -0.075 0.000 0.968 601 R CB 0.015 30.274 30.300 -0.069 0.000 0.861 601 R HN 0.412 nan 8.270 nan 0.000 0.440 602 Q N -2.227 117.476 119.800 -0.162 0.000 2.339 602 Q HA -0.070 4.273 4.340 0.005 0.000 0.205 602 Q C 0.744 176.526 176.000 -0.362 0.000 0.925 602 Q CA 0.922 56.543 55.803 -0.303 0.000 0.898 602 Q CB 0.223 28.689 28.738 -0.454 0.000 1.013 602 Q HN 0.448 nan 8.270 nan 0.000 0.504 603 Y N 0.571 120.835 120.300 -0.060 0.000 2.467 603 Y HA 0.290 4.843 4.550 0.005 0.000 0.250 603 Y C 0.132 175.991 175.900 -0.068 0.000 1.155 603 Y CA -0.564 57.506 58.100 -0.049 0.000 1.249 603 Y CB 1.789 40.234 38.460 -0.024 0.000 1.146 603 Y HN -0.145 nan 8.280 nan 0.000 0.524 604 V N 3.761 123.691 119.914 0.026 0.000 2.266 604 V HA 0.282 4.405 4.120 0.005 0.000 0.271 604 V C -0.225 175.929 176.094 0.100 0.000 1.032 604 V CA -0.758 61.568 62.300 0.043 0.000 0.806 604 V CB -0.178 31.615 31.823 -0.050 0.000 1.052 604 V HN 0.133 nan 8.190 nan 0.000 0.449 605 I N 1.263 121.892 120.570 0.100 0.000 2.693 605 I HA 0.614 4.787 4.170 0.005 0.000 0.303 605 I C -1.963 174.251 176.117 0.162 0.000 1.025 605 I CA -2.633 58.711 61.300 0.074 0.000 1.086 605 I CB 2.064 40.065 38.000 0.002 0.000 1.268 605 I HN 0.107 nan 8.210 nan 0.000 0.440 606 P HA -0.148 nan 4.420 nan 0.000 0.216 606 P C 1.599 178.977 177.300 0.130 0.000 1.154 606 P CA 2.021 65.169 63.100 0.079 0.000 0.865 606 P CB 0.018 31.708 31.700 -0.017 0.000 0.789 607 G N -1.301 107.535 108.800 0.060 0.000 2.448 607 G HA2 -0.272 3.692 3.960 0.005 0.000 0.219 607 G HA3 -0.272 3.692 3.960 0.005 0.000 0.219 607 G C 1.524 176.424 174.900 -0.000 0.000 1.127 607 G CA 0.747 45.868 45.100 0.036 0.000 0.766 607 G HN 0.225 nan 8.290 nan 0.000 0.552 608 M N -0.723 118.820 119.600 -0.095 0.000 2.086 608 M HA 0.088 4.571 4.480 0.005 0.000 0.261 608 M C 2.198 178.401 176.300 -0.162 0.000 1.067 608 M CA 1.357 56.428 55.300 -0.383 0.000 1.116 608 M CB -0.131 32.151 32.600 -0.531 0.000 1.348 608 M HN 0.275 nan 8.290 nan 0.000 0.407 609 F N -0.020 119.925 119.950 -0.008 0.000 2.113 609 F HA -0.186 4.345 4.527 0.005 0.000 0.297 609 F C 2.340 178.246 175.800 0.176 0.000 1.103 609 F CA 1.309 59.396 58.000 0.144 0.000 1.248 609 F CB -0.575 38.496 39.000 0.117 0.000 0.999 609 F HN -0.038 nan 8.300 nan 0.000 0.475 610 K N 0.565 121.132 120.400 0.278 0.000 2.044 610 K HA -0.196 4.128 4.320 0.005 0.000 0.210 610 K C 1.977 178.655 176.600 0.130 0.000 1.049 610 K CA 1.656 58.053 56.287 0.182 0.000 0.927 610 K CB -0.316 32.253 32.500 0.114 0.000 0.713 610 K HN 0.247 nan 8.250 nan 0.000 0.443 611 E N -0.415 119.846 120.200 0.102 0.000 2.051 611 E HA -0.165 4.188 4.350 0.005 0.000 0.192 611 E C 1.964 178.569 176.600 0.008 0.000 0.991 611 E CA 1.478 57.929 56.400 0.085 0.000 0.799 611 E CB -0.016 29.800 29.700 0.193 0.000 0.748 611 E HN 0.051 nan 8.360 nan 0.000 0.449 612 V N 0.189 120.072 119.914 -0.052 0.000 2.427 612 V HA -0.231 3.892 4.120 0.005 0.000 0.248 612 V C 1.597 177.428 176.094 -0.440 0.000 1.051 612 V CA 1.646 63.765 62.300 -0.301 0.000 1.048 612 V CB -0.448 31.075 31.823 -0.499 0.000 0.666 612 V HN 0.295 nan 8.190 nan 0.000 0.456 613 Y N -0.698 119.526 120.300 -0.127 0.000 2.482 613 Y HA 0.051 4.604 4.550 0.005 0.000 0.270 613 Y C 2.461 178.238 175.900 -0.204 0.000 1.152 613 Y CA 0.389 58.323 58.100 -0.276 0.000 1.292 613 Y CB 0.009 38.286 38.460 -0.305 0.000 1.070 613 Y HN 0.217 nan 8.280 nan 0.000 0.528 614 Q N 1.429 121.240 119.800 0.019 0.000 2.077 614 Q HA -0.245 4.098 4.340 0.005 0.000 0.206 614 Q C 0.841 176.841 176.000 0.000 0.000 0.989 614 Q CA 1.913 57.734 55.803 0.030 0.000 0.853 614 Q CB 0.037 28.789 28.738 0.022 0.000 0.907 614 Q HN 0.377 nan 8.270 nan 0.000 0.418 615 K N -0.237 120.134 120.400 -0.049 0.000 2.478 615 K HA 0.217 4.540 4.320 0.005 0.000 0.205 615 K C 1.316 177.868 176.600 -0.081 0.000 1.033 615 K CA -0.239 56.021 56.287 -0.045 0.000 1.091 615 K CB 0.433 32.905 32.500 -0.045 0.000 0.844 615 K HN 0.215 nan 8.250 nan 0.000 0.507 616 I N 1.590 122.079 120.570 -0.136 0.000 2.236 616 I HA -0.356 3.817 4.170 0.005 0.000 0.249 616 I C 1.378 177.419 176.117 -0.126 0.000 1.102 616 I CA 1.829 63.019 61.300 -0.183 0.000 1.365 616 I CB 0.313 38.154 38.000 -0.265 0.000 1.051 616 I HN 0.288 nan 8.210 nan 0.000 0.420 617 E N -0.717 119.444 120.200 -0.064 0.000 2.299 617 E HA -0.094 4.259 4.350 0.005 0.000 0.193 617 E C 1.420 178.019 176.600 -0.003 0.000 0.998 617 E CA 1.401 57.781 56.400 -0.033 0.000 0.851 617 E CB 0.220 29.942 29.700 0.036 0.000 0.795 617 E HN 0.631 nan 8.360 nan 0.000 0.492 618 T N -3.132 111.427 114.554 0.008 0.000 3.058 618 T HA 0.129 4.482 4.350 0.005 0.000 0.278 618 T C 1.452 176.173 174.700 0.034 0.000 0.974 618 T CA -0.265 61.864 62.100 0.049 0.000 0.893 618 T CB 0.436 69.333 68.868 0.048 0.000 1.138 618 T HN -0.017 nan 8.240 nan 0.000 0.529 619 V N 2.038 121.948 119.914 -0.006 0.000 3.041 619 V HA 0.191 4.314 4.120 0.005 0.000 0.260 619 V C 0.732 176.826 176.094 0.000 0.000 1.105 619 V CA 0.829 63.117 62.300 -0.020 0.000 1.125 619 V CB -0.510 31.273 31.823 -0.066 0.000 0.730 619 V HN 0.510 nan 8.190 nan 0.000 0.479 620 N N 1.129 119.848 118.700 0.033 0.000 2.439 620 N HA 0.048 4.792 4.740 0.005 0.000 0.243 620 N C 0.997 176.586 175.510 0.130 0.000 1.088 620 N CA -0.016 53.081 53.050 0.079 0.000 0.940 620 N CB 1.070 39.622 38.487 0.108 0.000 1.180 620 N HN 0.378 nan 8.380 nan 0.000 0.505 621 E N 1.643 121.874 120.200 0.051 0.000 2.150 621 E HA -0.073 4.280 4.350 0.005 0.000 0.193 621 E C 1.155 177.756 176.600 0.003 0.000 0.985 621 E CA 0.791 57.209 56.400 0.030 0.000 0.814 621 E CB -0.007 29.688 29.700 -0.009 0.000 0.752 621 E HN 0.506 nan 8.360 nan 0.000 0.466 622 S N 0.759 116.408 115.700 -0.086 0.000 2.368 622 S HA -0.108 4.366 4.470 0.005 0.000 0.224 622 S C 1.407 175.986 174.600 -0.035 0.000 1.029 622 S CA 0.629 58.644 58.200 -0.308 0.000 0.988 622 S CB -0.278 62.374 63.200 -0.914 0.000 0.838 622 S HN 0.481 nan 8.310 nan 0.000 0.462 623 W N 3.171 124.538 121.300 0.112 0.000 2.355 623 W HA -0.124 4.541 4.660 0.007 0.000 0.309 623 W C 1.258 177.877 176.519 0.166 0.000 1.206 623 W CA 1.271 58.806 57.345 0.317 0.000 1.284 623 W CB -0.581 29.007 29.460 0.213 0.000 1.145 623 W HN 0.302 nan 8.180 nan 0.000 0.502 624 N N 0.889 119.730 118.700 0.235 0.000 2.289 624 N HA -0.127 4.616 4.740 0.005 0.000 0.184 624 N C 1.716 177.231 175.510 0.009 0.000 1.016 624 N CA 1.726 54.847 53.050 0.118 0.000 0.872 624 N CB -0.821 37.749 38.487 0.137 0.000 0.973 624 N HN 0.182 nan 8.380 nan 0.000 0.433 625 A N 0.828 123.651 122.820 0.005 0.000 2.072 625 A HA 0.118 4.441 4.320 0.005 0.000 0.216 625 A C 0.975 178.547 177.584 -0.019 0.000 1.156 625 A CA -0.075 51.957 52.037 -0.009 0.000 0.701 625 A CB -0.300 18.692 19.000 -0.013 0.000 0.816 625 A HN 0.172 nan 8.150 nan 0.000 0.458 626 L N 1.143 122.338 121.223 -0.048 0.000 2.584 626 L HA 0.203 4.546 4.340 0.005 0.000 0.272 626 L C 0.773 177.600 176.870 -0.072 0.000 1.195 626 L CA -0.378 54.427 54.840 -0.058 0.000 0.920 626 L CB 0.276 42.231 42.059 -0.172 0.000 1.173 626 L HN 0.317 nan 8.230 nan 0.000 0.489 627 A N 3.234 126.042 122.820 -0.020 0.000 2.354 627 A HA 0.623 4.947 4.320 0.005 0.000 0.269 627 A C 0.271 177.863 177.584 0.013 0.000 1.109 627 A CA -0.292 51.742 52.037 -0.006 0.000 0.800 627 A CB 0.537 19.538 19.000 0.003 0.000 1.045 627 A HN 0.722 nan 8.150 nan 0.000 0.489 628 T N 0.663 115.239 114.554 0.036 0.000 2.893 628 T HA 0.764 5.118 4.350 0.005 0.000 0.291 628 T C -2.600 172.159 174.700 0.099 0.000 1.028 628 T CA -1.441 60.722 62.100 0.104 0.000 0.995 628 T CB 1.361 70.319 68.868 0.150 0.000 1.051 628 T HN 0.554 nan 8.240 nan 0.000 0.470 629 P HA 0.277 nan 4.420 nan 0.000 0.274 629 P C 0.702 178.102 177.300 0.167 0.000 1.246 629 P CA -0.649 62.485 63.100 0.057 0.000 0.795 629 P CB 0.775 32.432 31.700 -0.072 0.000 1.006 630 S N -1.849 113.906 115.700 0.091 0.000 2.593 630 S HA 0.017 4.491 4.470 0.005 0.000 0.217 630 S C 0.381 175.066 174.600 0.141 0.000 0.966 630 S CA -0.399 57.861 58.200 0.099 0.000 0.914 630 S CB -0.620 62.603 63.200 0.039 0.000 0.776 630 S HN 0.360 nan 8.310 nan 0.000 0.523 631 D N 2.293 122.814 120.400 0.202 0.000 2.419 631 D HA 0.153 4.796 4.640 0.005 0.000 0.236 631 D C 0.745 177.265 176.300 0.366 0.000 1.165 631 D CA 0.307 54.446 54.000 0.231 0.000 0.882 631 D CB 0.719 41.603 40.800 0.139 0.000 1.201 631 D HN 0.289 nan 8.370 nan 0.000 0.443 632 K N 0.094 120.613 120.400 0.199 0.000 2.365 632 K HA 0.215 4.539 4.320 0.005 0.000 0.195 632 K C 0.268 176.984 176.600 0.194 0.000 1.079 632 K CA 0.095 56.430 56.287 0.081 0.000 0.979 632 K CB 0.509 32.984 32.500 -0.042 0.000 0.929 632 K HN 0.219 nan 8.250 nan 0.000 0.523 633 L N 1.636 122.992 121.223 0.221 0.000 2.295 633 L HA 0.316 4.660 4.340 0.005 0.000 0.285 633 L C -0.455 176.528 176.870 0.187 0.000 1.035 633 L CA -1.031 53.953 54.840 0.240 0.000 0.806 633 L CB 0.828 42.987 42.059 0.167 0.000 1.214 633 L HN -0.056 nan 8.230 nan 0.000 0.426 634 F N 3.023 122.935 119.950 -0.063 0.000 2.541 634 F HA 0.072 4.604 4.527 0.009 0.000 0.378 634 F C 0.157 175.618 175.800 -0.566 0.000 1.068 634 F CA -0.230 57.416 58.000 -0.590 0.000 1.199 634 F CB 0.334 38.733 39.000 -1.002 0.000 1.091 634 F HN 0.223 nan 8.300 nan 0.000 0.555 635 F N 7.641 126.789 119.950 -1.338 0.000 2.651 635 F HA 0.179 4.707 4.527 0.002 0.000 0.347 635 F C -0.550 174.742 175.800 -0.846 0.000 1.284 635 F CA -0.807 56.685 58.000 -0.846 0.000 1.175 635 F CB -0.539 38.077 39.000 -0.639 0.000 1.542 635 F HN 0.390 nan 8.300 nan 0.000 0.661 636 W N 4.432 125.467 121.300 -0.441 0.000 2.264 636 W HA 0.032 4.695 4.660 0.004 0.000 0.331 636 W C 0.584 176.978 176.519 -0.208 0.000 1.364 636 W CA -0.357 56.903 57.345 -0.143 0.000 1.253 636 W CB 0.115 29.577 29.460 0.003 0.000 1.215 636 W HN 0.325 nan 8.180 nan 0.000 0.561 637 N N 1.582 120.387 118.700 0.175 0.000 2.444 637 N HA 0.127 4.871 4.740 0.005 0.000 0.262 637 N C 0.384 175.964 175.510 0.118 0.000 0.974 637 N CA -0.238 52.875 53.050 0.106 0.000 0.933 637 N CB 1.584 40.150 38.487 0.132 0.000 1.137 637 N HN 0.285 nan 8.380 nan 0.000 0.498 638 S N 2.474 118.212 115.700 0.064 0.000 2.507 638 S HA 0.010 4.483 4.470 0.005 0.000 0.235 638 S C 1.346 175.975 174.600 0.048 0.000 0.988 638 S CA 0.581 58.810 58.200 0.049 0.000 0.944 638 S CB 0.055 63.266 63.200 0.017 0.000 0.762 638 S HN 0.506 nan 8.310 nan 0.000 0.526 639 K N 1.266 121.701 120.400 0.059 0.000 2.366 639 K HA 0.172 4.495 4.320 0.005 0.000 0.198 639 K C 0.906 177.545 176.600 0.066 0.000 1.044 639 K CA 0.091 56.408 56.287 0.051 0.000 0.973 639 K CB -0.357 32.175 32.500 0.053 0.000 0.767 639 K HN 0.187 nan 8.250 nan 0.000 0.475 640 S N 1.370 117.130 115.700 0.100 0.000 2.549 640 S HA 0.062 4.535 4.470 0.005 0.000 0.279 640 S C 1.084 175.739 174.600 0.092 0.000 1.321 640 S CA -0.155 58.122 58.200 0.128 0.000 1.054 640 S CB 0.685 63.992 63.200 0.178 0.000 0.899 640 S HN 0.437 nan 8.310 nan 0.000 0.497 641 T N 2.369 116.962 114.554 0.065 0.000 3.069 641 T HA 0.235 4.588 4.350 0.005 0.000 0.252 641 T C 0.907 175.493 174.700 -0.190 0.000 1.053 641 T CA 0.094 62.168 62.100 -0.045 0.000 0.964 641 T CB -0.264 68.530 68.868 -0.124 0.000 1.005 641 T HN 0.681 nan 8.240 nan 0.000 0.532 642 Y N 0.703 121.011 120.300 0.014 0.000 2.559 642 Y HA 0.507 5.060 4.550 0.005 0.000 0.279 642 Y C 0.655 176.520 175.900 -0.058 0.000 1.117 642 Y CA -0.510 57.575 58.100 -0.024 0.000 1.263 642 Y CB 0.798 39.246 38.460 -0.020 0.000 1.230 642 Y HN 0.169 nan 8.280 nan 0.000 0.528 643 I N 1.598 122.242 120.570 0.122 0.000 2.439 643 I HA 0.308 4.481 4.170 0.005 0.000 0.285 643 I C -0.670 175.568 176.117 0.202 0.000 1.021 643 I CA -0.835 60.485 61.300 0.034 0.000 1.091 643 I CB 1.400 39.303 38.000 -0.162 0.000 1.242 643 I HN -0.009 nan 8.210 nan 0.000 0.439 644 K N 3.598 124.096 120.400 0.164 0.000 2.427 644 K HA 0.384 4.707 4.320 0.005 0.000 0.252 644 K C -0.458 175.998 176.600 -0.241 0.000 0.931 644 K CA -0.378 55.940 56.287 0.052 0.000 0.793 644 K CB 2.238 34.713 32.500 -0.041 0.000 1.211 644 K HN 0.538 nan 8.250 nan 0.000 0.426 645 S N 4.994 120.243 115.700 -0.752 0.000 2.509 645 S HA 0.180 4.653 4.470 0.005 0.000 0.287 645 S C -2.072 172.118 174.600 -0.684 0.000 1.248 645 S CA -1.023 56.333 58.200 -1.407 0.000 1.089 645 S CB 0.208 62.375 63.200 -1.723 0.000 0.900 645 S HN 0.398 nan 8.310 nan 0.000 0.496 646 P HA 0.312 nan 4.420 nan 0.000 0.276 646 P C -2.319 174.584 177.300 -0.663 0.000 1.244 646 P CA -1.724 60.980 63.100 -0.659 0.000 0.801 646 P CB 0.445 31.644 31.700 -0.835 0.000 1.006 647 P HA 0.084 nan 4.420 nan 0.000 0.249 647 P C 1.278 178.406 177.300 -0.285 0.000 1.229 647 P CA 0.358 63.238 63.100 -0.367 0.000 0.788 647 P CB -0.208 31.369 31.700 -0.206 0.000 1.072 648 F N -0.665 119.063 119.950 -0.369 0.000 2.192 648 F HA -0.147 4.384 4.527 0.006 0.000 0.301 648 F C 1.272 176.809 175.800 -0.438 0.000 1.079 648 F CA 0.724 58.368 58.000 -0.594 0.000 1.303 648 F CB -0.730 37.534 39.000 -1.227 0.000 1.024 648 F HN -0.138 nan 8.300 nan 0.000 0.494 649 F N -0.153 119.893 119.950 0.160 0.000 2.654 649 F HA 0.184 4.714 4.527 0.005 0.000 0.303 649 F C 0.738 176.583 175.800 0.077 0.000 1.099 649 F CA -1.198 56.871 58.000 0.115 0.000 1.270 649 F CB -0.950 38.120 39.000 0.116 0.000 1.024 649 F HN -0.149 nan 8.300 nan 0.000 0.548 650 E N 1.480 121.774 120.200 0.156 0.000 2.417 650 E HA -0.044 4.309 4.350 0.005 0.000 0.261 650 E C 0.289 176.955 176.600 0.111 0.000 1.000 650 E CA 0.389 56.849 56.400 0.099 0.000 0.919 650 E CB -0.124 29.599 29.700 0.040 0.000 0.955 650 E HN 0.499 nan 8.360 nan 0.000 0.455 651 N N 1.750 120.506 118.700 0.093 0.000 2.708 651 N HA -0.261 4.483 4.740 0.005 0.000 0.251 651 N C -0.439 175.126 175.510 0.091 0.000 1.123 651 N CA 0.135 53.232 53.050 0.079 0.000 0.739 651 N CB -0.975 37.549 38.487 0.061 0.000 1.113 651 N HN 0.380 nan 8.380 nan 0.000 0.561 652 L N 1.607 122.904 121.223 0.122 0.000 2.540 652 L HA 0.109 4.452 4.340 0.005 0.000 0.276 652 L C 0.937 177.853 176.870 0.076 0.000 1.212 652 L CA 0.791 55.703 54.840 0.119 0.000 0.893 652 L CB 0.488 42.640 42.059 0.154 0.000 1.138 652 L HN 0.220 nan 8.230 nan 0.000 0.491 653 T N 2.067 116.658 114.554 0.061 0.000 2.940 653 T HA 0.376 4.729 4.350 0.005 0.000 0.288 653 T C 1.208 175.928 174.700 0.033 0.000 1.033 653 T CA -0.877 61.248 62.100 0.042 0.000 1.033 653 T CB 1.045 69.935 68.868 0.036 0.000 1.079 653 T HN 0.587 nan 8.240 nan 0.000 0.496 654 L N -0.112 121.125 121.223 0.024 0.000 2.072 654 L HA 0.095 4.439 4.340 0.005 0.000 0.205 654 L C 0.556 177.438 176.870 0.020 0.000 1.079 654 L CA 1.063 55.913 54.840 0.016 0.000 0.752 654 L CB -0.222 41.843 42.059 0.010 0.000 0.906 654 L HN 0.700 nan 8.230 nan 0.000 0.436 655 D N 0.033 120.445 120.400 0.020 0.000 2.341 655 D HA 0.331 4.974 4.640 0.005 0.000 0.245 655 D C -0.225 176.087 176.300 0.019 0.000 1.106 655 D CA 0.071 54.083 54.000 0.019 0.000 0.905 655 D CB 1.122 41.931 40.800 0.016 0.000 1.202 655 D HN -0.076 nan 8.370 nan 0.000 0.426 656 L N 1.716 122.948 121.223 0.015 0.000 2.322 656 L HA 0.350 4.693 4.340 0.005 0.000 0.279 656 L C 0.574 177.442 176.870 -0.004 0.000 1.036 656 L CA -0.721 54.122 54.840 0.004 0.000 0.807 656 L CB 1.050 43.108 42.059 -0.001 0.000 1.226 656 L HN 0.086 nan 8.230 nan 0.000 0.433 657 Q N 2.055 121.848 119.800 -0.012 0.000 2.257 657 Q HA 0.466 4.810 4.340 0.005 0.000 0.262 657 Q C -2.219 173.762 176.000 -0.033 0.000 0.997 657 Q CA -1.844 53.950 55.803 -0.014 0.000 0.873 657 Q CB 1.986 30.721 28.738 -0.006 0.000 1.312 657 Q HN 0.378 nan 8.270 nan 0.000 0.450 658 P HA 0.124 nan 4.420 nan 0.000 0.270 658 P C -2.467 174.808 177.300 -0.041 0.000 1.223 658 P CA -0.816 62.266 63.100 -0.030 0.000 0.785 658 P CB -0.329 31.368 31.700 -0.004 0.000 0.923 659 P HA 0.236 nan 4.420 nan 0.000 0.275 659 P C -0.672 176.655 177.300 0.044 0.000 1.227 659 P CA -0.191 62.892 63.100 -0.027 0.000 0.781 659 P CB 0.708 32.406 31.700 -0.003 0.000 0.906 660 K N 0.914 121.343 120.400 0.049 0.000 2.166 660 K HA 0.487 4.811 4.320 0.005 0.000 0.245 660 K C 0.168 176.813 176.600 0.076 0.000 0.967 660 K CA -0.777 55.541 56.287 0.052 0.000 0.863 660 K CB 1.083 33.603 32.500 0.032 0.000 1.107 660 K HN 0.321 nan 8.250 nan 0.000 0.436 661 S N 0.890 116.624 115.700 0.056 0.000 2.572 661 S HA 0.067 4.540 4.470 0.005 0.000 0.267 661 S C 0.512 175.141 174.600 0.048 0.000 1.361 661 S CA -0.309 57.922 58.200 0.051 0.000 1.009 661 S CB 0.116 63.329 63.200 0.022 0.000 0.888 661 S HN 0.322 nan 8.310 nan 0.000 0.553 662 I N 1.967 122.563 120.570 0.044 0.000 2.325 662 I HA 0.237 4.410 4.170 0.005 0.000 0.291 662 I C -0.619 175.507 176.117 0.016 0.000 1.019 662 I CA -0.315 61.007 61.300 0.036 0.000 1.302 662 I CB 0.882 38.905 38.000 0.039 0.000 1.401 662 I HN 0.176 nan 8.210 nan 0.000 0.485 663 V N 5.870 125.790 119.914 0.010 0.000 2.384 663 V HA 0.212 4.335 4.120 0.005 0.000 0.287 663 V C -0.115 175.968 176.094 -0.018 0.000 1.020 663 V CA -0.580 61.717 62.300 -0.006 0.000 0.850 663 V CB 1.249 33.069 31.823 -0.004 0.000 0.987 663 V HN 0.815 nan 8.190 nan 0.000 0.436 664 D N 2.486 122.863 120.400 -0.039 0.000 2.686 664 D HA -0.184 4.459 4.640 0.005 0.000 0.235 664 D C 0.647 176.881 176.300 -0.109 0.000 1.160 664 D CA 1.185 55.134 54.000 -0.086 0.000 0.645 664 D CB -0.482 40.259 40.800 -0.098 0.000 1.039 664 D HN 0.879 nan 8.370 nan 0.000 0.423 665 A N -0.149 122.648 122.820 -0.038 0.000 2.483 665 A HA 0.302 4.625 4.320 0.005 0.000 0.238 665 A C 0.093 177.619 177.584 -0.097 0.000 1.070 665 A CA 0.179 52.195 52.037 -0.036 0.000 0.770 665 A CB 0.346 19.346 19.000 -0.001 0.000 1.008 665 A HN 0.199 nan 8.150 nan 0.000 0.497 666 Y N 0.382 120.613 120.300 -0.115 0.000 2.354 666 Y HA 0.404 4.957 4.550 0.005 0.000 0.322 666 Y C 0.470 176.240 175.900 -0.218 0.000 1.253 666 Y CA -0.288 57.713 58.100 -0.164 0.000 1.272 666 Y CB 1.568 39.779 38.460 -0.414 0.000 1.255 666 Y HN 0.373 nan 8.280 nan 0.000 0.500 667 V N 4.892 124.861 119.914 0.091 0.000 2.368 667 V HA 0.018 4.141 4.120 0.005 0.000 0.266 667 V C 0.708 176.873 176.094 0.119 0.000 1.045 667 V CA -0.312 62.000 62.300 0.019 0.000 0.899 667 V CB 0.809 32.658 31.823 0.043 0.000 1.006 667 V HN 0.751 nan 8.190 nan 0.000 0.470 668 L N 6.273 127.491 121.223 -0.007 0.000 2.072 668 L HA 0.174 4.517 4.340 0.005 0.000 0.205 668 L C 0.368 177.324 176.870 0.143 0.000 1.079 668 L CA 2.043 56.913 54.840 0.049 0.000 0.752 668 L CB 0.154 42.202 42.059 -0.019 0.000 0.906 668 L HN 0.521 nan 8.230 nan 0.000 0.436 669 L N -0.450 120.760 121.223 -0.020 0.000 2.431 669 L HA 0.401 4.744 4.340 0.005 0.000 0.266 669 L C -0.736 175.912 176.870 -0.370 0.000 0.978 669 L CA -0.463 54.277 54.840 -0.167 0.000 0.822 669 L CB 1.478 43.293 42.059 -0.406 0.000 1.310 669 L HN -0.177 nan 8.230 nan 0.000 0.409 670 N N 3.246 121.519 118.700 -0.712 0.000 2.546 670 N HA 0.528 5.272 4.740 0.005 0.000 0.238 670 N C -1.271 173.991 175.510 -0.413 0.000 0.984 670 N CA -0.145 52.493 53.050 -0.686 0.000 0.935 670 N CB 0.536 38.325 38.487 -1.164 0.000 1.122 670 N HN 0.519 nan 8.380 nan 0.000 0.510 671 L N 0.869 121.930 121.223 -0.270 0.000 2.358 671 L HA 0.697 5.040 4.340 0.005 0.000 0.268 671 L C 1.435 178.232 176.870 -0.122 0.000 1.032 671 L CA -0.969 53.775 54.840 -0.160 0.000 0.805 671 L CB 1.518 43.536 42.059 -0.068 0.000 1.253 671 L HN 0.376 nan 8.230 nan 0.000 0.452 672 G N -0.614 108.134 108.800 -0.086 0.000 2.849 672 G HA2 0.266 4.229 3.960 0.005 0.000 0.174 672 G HA3 0.266 4.229 3.960 0.005 0.000 0.174 672 G C -0.898 173.980 174.900 -0.036 0.000 1.370 672 G CA -0.425 44.632 45.100 -0.072 0.000 1.040 672 G HN 0.505 nan 8.290 nan 0.000 0.582 673 D N -0.132 120.254 120.400 -0.022 0.000 2.329 673 D HA 0.329 4.972 4.640 0.005 0.000 0.246 673 D C 0.969 177.274 176.300 0.009 0.000 1.111 673 D CA 0.981 54.986 54.000 0.007 0.000 0.941 673 D CB 1.292 42.112 40.800 0.033 0.000 1.169 673 D HN 0.704 nan 8.370 nan 0.000 0.441 674 S N -1.361 114.336 115.700 -0.005 0.000 3.614 674 S HA -0.187 4.286 4.470 0.005 0.000 0.360 674 S C 0.014 174.505 174.600 -0.182 0.000 1.023 674 S CA -0.030 58.133 58.200 -0.062 0.000 1.114 674 S CB -2.273 60.914 63.200 -0.021 0.000 0.907 674 S HN 0.295 nan 8.310 nan 0.000 0.470 675 V N 2.964 122.773 119.914 -0.175 0.000 2.421 675 V HA 0.423 4.546 4.120 0.005 0.000 0.271 675 V C 1.482 177.369 176.094 -0.345 0.000 1.031 675 V CA 0.446 62.566 62.300 -0.301 0.000 1.032 675 V CB 0.264 32.048 31.823 -0.065 0.000 1.009 675 V HN 0.860 nan 8.190 nan 0.000 0.477 676 T N 1.163 115.551 114.554 -0.276 0.000 2.874 676 T HA 0.166 4.519 4.350 0.005 0.000 0.281 676 T C 1.442 176.041 174.700 -0.167 0.000 0.994 676 T CA 0.108 62.086 62.100 -0.203 0.000 1.015 676 T CB 1.316 70.056 68.868 -0.214 0.000 1.028 676 T HN 0.802 nan 8.240 nan 0.000 0.523 677 T N -1.612 112.812 114.554 -0.216 0.000 3.025 677 T HA -0.094 4.260 4.350 0.005 0.000 0.270 677 T C 1.235 175.873 174.700 -0.103 0.000 1.126 677 T CA 0.969 62.940 62.100 -0.215 0.000 1.105 677 T CB -0.479 68.285 68.868 -0.172 0.000 0.884 677 T HN 0.641 nan 8.240 nan 0.000 0.522 678 D N 0.947 121.323 120.400 -0.041 0.000 2.183 678 D HA -0.050 4.593 4.640 0.005 0.000 0.203 678 D C 1.812 178.031 176.300 -0.135 0.000 0.969 678 D CA 1.025 54.992 54.000 -0.055 0.000 0.842 678 D CB -0.149 40.644 40.800 -0.012 0.000 0.957 678 D HN 0.586 nan 8.370 nan 0.000 0.484 679 H N 0.209 119.225 119.070 -0.090 0.000 2.363 679 H HA 0.058 4.618 4.556 0.005 0.000 0.301 679 H C 2.200 177.476 175.328 -0.087 0.000 1.074 679 H CA 0.788 56.813 56.048 -0.038 0.000 1.354 679 H CB 0.077 29.836 29.762 -0.005 0.000 1.397 679 H HN 0.120 nan 8.280 nan 0.000 0.516 680 I N -1.210 119.299 120.570 -0.103 0.000 2.233 680 I HA -0.114 4.059 4.170 0.005 0.000 0.243 680 I C 0.853 176.692 176.117 -0.465 0.000 1.093 680 I CA 0.987 62.000 61.300 -0.479 0.000 1.380 680 I CB 0.182 37.898 38.000 -0.474 0.000 1.067 680 I HN 0.046 nan 8.210 nan 0.000 0.413 681 S N 1.837 117.370 115.700 -0.277 0.000 2.216 681 S HA 0.335 4.808 4.470 0.005 0.000 0.156 681 S C -2.498 171.961 174.600 -0.236 0.000 1.665 681 S CA -1.655 56.394 58.200 -0.251 0.000 1.262 681 S CB 0.206 63.348 63.200 -0.097 0.000 1.207 681 S HN -0.112 nan 8.310 nan 0.000 0.427 682 P HA 0.143 nan 4.420 nan 0.000 0.267 682 P C 0.145 177.380 177.300 -0.108 0.000 1.201 682 P CA 0.081 63.073 63.100 -0.180 0.000 0.775 682 P CB 0.894 32.496 31.700 -0.164 0.000 0.854 683 A N 1.952 124.819 122.820 0.078 0.000 2.469 683 A HA 0.437 4.760 4.320 0.005 0.000 0.245 683 A C 1.185 178.901 177.584 0.221 0.000 1.221 683 A CA 0.733 52.836 52.037 0.109 0.000 0.946 683 A CB -0.112 18.976 19.000 0.147 0.000 1.049 683 A HN 0.599 nan 8.150 nan 0.000 0.529 684 G N 0.171 109.121 108.800 0.250 0.000 3.075 684 G HA2 0.333 4.296 3.960 0.005 0.000 0.156 684 G HA3 0.333 4.296 3.960 0.005 0.000 0.156 684 G C -0.013 174.941 174.900 0.090 0.000 1.403 684 G CA -0.304 44.909 45.100 0.189 0.000 1.033 684 G HN 0.372 nan 8.290 nan 0.000 0.589 685 N N -0.446 118.275 118.700 0.036 0.000 2.294 685 N HA -0.003 4.740 4.740 0.005 0.000 0.248 685 N C -0.188 175.226 175.510 -0.160 0.000 1.242 685 N CA 0.342 53.367 53.050 -0.041 0.000 0.848 685 N CB 0.087 38.557 38.487 -0.027 0.000 1.084 685 N HN 0.220 nan 8.380 nan 0.000 0.457 686 I N 2.536 122.957 120.570 -0.248 0.000 2.307 686 I HA 0.293 4.467 4.170 0.005 0.000 0.289 686 I C 0.451 176.551 176.117 -0.028 0.000 1.021 686 I CA -0.880 60.176 61.300 -0.408 0.000 1.224 686 I CB 0.961 38.612 38.000 -0.582 0.000 1.376 686 I HN 0.596 nan 8.210 nan 0.000 0.470 687 A N 6.949 129.773 122.820 0.008 0.000 2.462 687 A HA 0.259 4.582 4.320 0.005 0.000 0.243 687 A C 1.403 179.058 177.584 0.117 0.000 1.076 687 A CA -0.174 51.905 52.037 0.070 0.000 0.773 687 A CB 0.370 19.413 19.000 0.072 0.000 1.010 687 A HN 0.800 nan 8.150 nan 0.000 0.493 688 R N 1.097 121.673 120.500 0.127 0.000 2.096 688 R HA -0.110 4.234 4.340 0.005 0.000 0.235 688 R C 0.655 177.020 176.300 0.107 0.000 1.127 688 R CA 1.409 57.604 56.100 0.158 0.000 0.968 688 R CB -0.105 30.245 30.300 0.083 0.000 0.861 688 R HN 0.863 nan 8.270 nan 0.000 0.440 689 N N 1.532 120.276 118.700 0.074 0.000 3.188 689 N HA -0.003 4.740 4.740 0.005 0.000 0.279 689 N C -1.307 174.238 175.510 0.059 0.000 1.213 689 N CA -0.057 53.028 53.050 0.059 0.000 1.138 689 N CB 0.335 38.853 38.487 0.051 0.000 1.417 689 N HN 0.091 nan 8.380 nan 0.000 0.526 690 S N 1.176 116.905 115.700 0.047 0.000 2.550 690 S HA 0.415 4.888 4.470 0.005 0.000 0.270 690 S C -2.452 172.148 174.600 0.001 0.000 1.145 690 S CA -1.094 57.130 58.200 0.039 0.000 0.852 690 S CB 2.145 65.378 63.200 0.055 0.000 1.119 690 S HN 0.001 nan 8.310 nan 0.000 0.465 691 P HA -0.102 nan 4.420 nan 0.000 0.215 691 P C 1.672 178.876 177.300 -0.161 0.000 1.157 691 P CA 2.451 65.510 63.100 -0.067 0.000 0.874 691 P CB -0.195 31.439 31.700 -0.111 0.000 0.790 692 A N -0.225 122.484 122.820 -0.185 0.000 1.908 692 A HA -0.147 4.176 4.320 0.005 0.000 0.218 692 A C 2.335 179.728 177.584 -0.319 0.000 1.181 692 A CA 2.264 54.153 52.037 -0.246 0.000 0.627 692 A CB -1.604 17.307 19.000 -0.148 0.000 0.818 692 A HN 0.211 nan 8.150 nan 0.000 0.445 693 A N -0.283 122.337 122.820 -0.333 0.000 1.898 693 A HA -0.137 4.186 4.320 0.005 0.000 0.216 693 A C 2.231 179.694 177.584 -0.202 0.000 1.181 693 A CA 1.426 53.181 52.037 -0.470 0.000 0.620 693 A CB -0.457 18.475 19.000 -0.114 0.000 0.819 693 A HN 0.552 nan 8.150 nan 0.000 0.442 694 R N -1.987 118.466 120.500 -0.079 0.000 2.091 694 R HA -0.184 4.159 4.340 0.005 0.000 0.238 694 R C 2.186 178.464 176.300 -0.037 0.000 1.136 694 R CA 1.810 57.894 56.100 -0.026 0.000 0.959 694 R CB -0.613 29.690 30.300 0.004 0.000 0.856 694 R HN 0.741 nan 8.270 nan 0.000 0.437 695 Y N 1.336 121.525 120.300 -0.186 0.000 2.181 695 Y HA -0.182 4.371 4.550 0.005 0.000 0.288 695 Y C 1.935 177.718 175.900 -0.194 0.000 1.146 695 Y CA 1.491 59.478 58.100 -0.188 0.000 1.164 695 Y CB -0.125 38.186 38.460 -0.248 0.000 0.982 695 Y HN -0.043 nan 8.280 nan 0.000 0.515 696 L N -0.889 120.254 121.223 -0.133 0.000 2.179 696 L HA -0.162 4.181 4.340 0.005 0.000 0.208 696 L C 2.338 179.133 176.870 -0.125 0.000 1.096 696 L CA 1.456 56.168 54.840 -0.213 0.000 0.779 696 L CB -0.685 41.133 42.059 -0.402 0.000 0.922 696 L HN 0.224 nan 8.230 nan 0.000 0.443 697 T N -0.319 114.201 114.554 -0.057 0.000 2.708 697 T HA -0.190 4.163 4.350 0.005 0.000 0.266 697 T C 1.549 176.217 174.700 -0.054 0.000 1.037 697 T CA 1.761 63.879 62.100 0.031 0.000 1.146 697 T CB -0.401 68.512 68.868 0.075 0.000 0.865 697 T HN 0.434 nan 8.240 nan 0.000 0.435 698 N N 0.416 119.044 118.700 -0.121 0.000 2.364 698 N HA -0.044 4.699 4.740 0.005 0.000 0.183 698 N C 1.702 177.098 175.510 -0.189 0.000 1.022 698 N CA 0.541 53.503 53.050 -0.147 0.000 0.883 698 N CB 0.007 38.392 38.487 -0.170 0.000 0.965 698 N HN 0.289 nan 8.380 nan 0.000 0.438 699 R N 0.013 120.359 120.500 -0.257 0.000 2.334 699 R HA 0.104 4.447 4.340 0.005 0.000 0.220 699 R C 0.715 176.949 176.300 -0.110 0.000 0.917 699 R CA 0.369 56.334 56.100 -0.226 0.000 1.073 699 R CB 0.577 30.672 30.300 -0.342 0.000 1.056 699 R HN 0.217 nan 8.270 nan 0.000 0.506 700 G N 1.123 109.882 108.800 -0.069 0.000 2.134 700 G HA2 -0.217 3.746 3.960 0.005 0.000 0.209 700 G HA3 -0.217 3.746 3.960 0.005 0.000 0.209 700 G C -0.039 174.867 174.900 0.010 0.000 0.993 700 G CA -0.439 44.647 45.100 -0.024 0.000 0.669 700 G HN 0.129 nan 8.290 nan 0.000 0.519 701 L N 1.416 122.666 121.223 0.045 0.000 2.343 701 L HA 0.677 5.020 4.340 0.005 0.000 0.275 701 L C 1.254 178.198 176.870 0.123 0.000 1.056 701 L CA -0.378 54.523 54.840 0.101 0.000 0.804 701 L CB 1.559 43.720 42.059 0.171 0.000 1.203 701 L HN 0.345 nan 8.230 nan 0.000 0.440 702 T N -1.858 112.705 114.554 0.015 0.000 2.902 702 T HA 0.309 4.662 4.350 0.005 0.000 0.280 702 T C -2.057 172.345 174.700 -0.497 0.000 0.992 702 T CA -1.922 60.097 62.100 -0.135 0.000 1.015 702 T CB 1.568 70.366 68.868 -0.117 0.000 1.044 702 T HN 0.300 nan 8.240 nan 0.000 0.520 703 P HA -0.167 nan 4.420 nan 0.000 0.216 703 P C 1.558 178.348 177.300 -0.849 0.000 1.150 703 P CA 1.135 63.286 63.100 -1.581 0.000 0.843 703 P CB -0.057 31.143 31.700 -0.834 0.000 0.787 704 R N 0.215 120.467 120.500 -0.414 0.000 2.237 704 R HA -0.033 4.310 4.340 0.005 0.000 0.219 704 R C 1.297 177.531 176.300 -0.110 0.000 1.080 704 R CA 1.240 57.217 56.100 -0.205 0.000 0.995 704 R CB -0.878 29.345 30.300 -0.129 0.000 0.875 704 R HN 0.248 nan 8.270 nan 0.000 0.462 705 E N 0.096 120.235 120.200 -0.101 0.000 2.474 705 E HA 0.048 4.402 4.350 0.005 0.000 0.195 705 E C 0.830 177.534 176.600 0.173 0.000 1.039 705 E CA -0.258 56.170 56.400 0.048 0.000 0.881 705 E CB 0.094 29.835 29.700 0.067 0.000 0.970 705 E HN 0.189 nan 8.360 nan 0.000 0.486 706 F N 1.699 121.617 119.950 -0.053 0.000 2.126 706 F HA -0.143 4.387 4.527 0.005 0.000 0.299 706 F C 1.499 177.243 175.800 -0.093 0.000 1.096 706 F CA 0.957 58.894 58.000 -0.105 0.000 1.255 706 F CB -0.899 38.016 39.000 -0.143 0.000 0.997 706 F HN 0.050 nan 8.300 nan 0.000 0.479 707 N N -0.612 118.189 118.700 0.168 0.000 6.832 707 N HA -0.221 4.522 4.740 0.005 0.000 0.417 707 N C -0.040 175.504 175.510 0.057 0.000 0.938 707 N CA 0.862 53.990 53.050 0.131 0.000 1.317 707 N CB -0.742 37.879 38.487 0.225 0.000 0.820 707 N HN 0.273 nan 8.380 nan 0.000 0.305 708 S N -0.888 114.862 115.700 0.083 0.000 2.652 708 S HA 0.436 4.909 4.470 0.005 0.000 0.270 708 S C 1.389 175.951 174.600 -0.064 0.000 1.243 708 S CA -0.163 58.055 58.200 0.031 0.000 0.999 708 S CB 0.750 64.070 63.200 0.200 0.000 0.973 708 S HN 0.497 nan 8.310 nan 0.000 0.544 709 Y N 1.097 121.337 120.300 -0.100 0.000 2.181 709 Y HA -0.013 4.540 4.550 0.005 0.000 0.288 709 Y C 2.781 178.469 175.900 -0.353 0.000 1.146 709 Y CA 1.237 59.203 58.100 -0.223 0.000 1.164 709 Y CB -0.816 37.519 38.460 -0.208 0.000 0.982 709 Y HN 0.906 nan 8.280 nan 0.000 0.515 710 G N -0.630 107.948 108.800 -0.369 0.000 2.442 710 G HA2 -0.339 3.624 3.960 0.005 0.000 0.219 710 G HA3 -0.339 3.624 3.960 0.005 0.000 0.219 710 G C 1.788 176.219 174.900 -0.781 0.000 1.141 710 G CA 1.303 45.713 45.100 -1.150 0.000 0.763 710 G HN 0.481 nan 8.290 nan 0.000 0.554 711 S N 0.098 115.655 115.700 -0.238 0.000 2.474 711 S HA 0.031 4.505 4.470 0.005 0.000 0.235 711 S C 1.908 176.601 174.600 0.156 0.000 0.997 711 S CA 0.512 58.798 58.200 0.143 0.000 0.949 711 S CB -0.071 63.316 63.200 0.311 0.000 0.766 711 S HN 0.274 nan 8.310 nan 0.000 0.517 712 R N 0.698 121.179 120.500 -0.031 0.000 2.388 712 R HA 0.317 4.661 4.340 0.005 0.000 0.247 712 R C 1.415 177.609 176.300 -0.177 0.000 0.931 712 R CA -0.106 55.928 56.100 -0.111 0.000 1.082 712 R CB -0.297 29.867 30.300 -0.226 0.000 1.135 712 R HN 0.483 nan 8.270 nan 0.000 0.525 713 R N -0.133 120.287 120.500 -0.134 0.000 2.285 713 R HA -0.027 4.316 4.340 0.005 0.000 0.213 713 R C 1.658 178.029 176.300 0.118 0.000 1.068 713 R CA 1.102 57.128 56.100 -0.123 0.000 1.004 713 R CB 0.007 30.325 30.300 0.031 0.000 0.873 713 R HN 0.154 nan 8.270 nan 0.000 0.467 714 G N -0.071 108.775 108.800 0.076 0.000 3.141 714 G HA2 -0.100 3.863 3.960 0.005 0.000 0.218 714 G HA3 -0.100 3.863 3.960 0.005 0.000 0.218 714 G C 0.046 174.972 174.900 0.043 0.000 1.170 714 G CA -0.236 44.920 45.100 0.093 0.000 0.769 714 G HN 0.072 nan 8.290 nan 0.000 0.546 715 N N 1.192 119.862 118.700 -0.050 0.000 2.626 715 N HA 0.071 4.814 4.740 0.005 0.000 0.249 715 N C 0.995 176.358 175.510 -0.244 0.000 1.021 715 N CA -0.477 52.497 53.050 -0.127 0.000 0.886 715 N CB 1.148 39.534 38.487 -0.169 0.000 1.149 715 N HN 0.240 nan 8.380 nan 0.000 0.517 716 D N 2.271 122.604 120.400 -0.112 0.000 2.221 716 D HA -0.208 4.436 4.640 0.005 0.000 0.204 716 D C 1.198 177.335 176.300 -0.273 0.000 0.982 716 D CA 0.833 54.777 54.000 -0.092 0.000 0.857 716 D CB 0.117 40.990 40.800 0.122 0.000 0.934 716 D HN 0.436 nan 8.370 nan 0.000 0.475 717 A N 1.225 123.839 122.820 -0.343 0.000 1.877 717 A HA -0.086 4.237 4.320 0.005 0.000 0.216 717 A C 2.679 179.774 177.584 -0.814 0.000 1.186 717 A CA 1.607 53.323 52.037 -0.535 0.000 0.620 717 A CB -0.833 17.798 19.000 -0.615 0.000 0.822 717 A HN 0.216 nan 8.150 nan 0.000 0.443 718 V N -0.045 119.381 119.914 -0.814 0.000 2.358 718 V HA -0.247 3.877 4.120 0.005 0.000 0.246 718 V C 2.634 178.388 176.094 -0.566 0.000 1.047 718 V CA 1.911 63.802 62.300 -0.681 0.000 1.035 718 V CB -0.665 30.858 31.823 -0.500 0.000 0.658 718 V HN 0.498 nan 8.190 nan 0.000 0.452 719 M N -0.028 119.143 119.600 -0.715 0.000 2.254 719 M HA 0.024 4.507 4.480 0.005 0.000 0.265 719 M C 2.400 178.341 176.300 -0.598 0.000 1.066 719 M CA 1.847 56.587 55.300 -0.934 0.000 1.123 719 M CB -1.562 29.788 32.600 -2.084 0.000 1.388 719 M HN 0.377 nan 8.290 nan 0.000 0.425 720 A N 0.666 123.261 122.820 -0.375 0.000 1.902 720 A HA -0.155 4.168 4.320 0.005 0.000 0.217 720 A C 2.384 179.901 177.584 -0.112 0.000 1.181 720 A CA 1.476 53.501 52.037 -0.021 0.000 0.623 720 A CB -0.596 18.505 19.000 0.168 0.000 0.818 720 A HN 0.453 nan 8.150 nan 0.000 0.443 721 R N -0.992 119.192 120.500 -0.527 0.000 2.120 721 R HA -0.094 4.250 4.340 0.005 0.000 0.234 721 R C 2.060 178.182 176.300 -0.296 0.000 1.123 721 R CA 1.037 56.711 56.100 -0.710 0.000 0.975 721 R CB -0.431 29.345 30.300 -0.874 0.000 0.866 721 R HN 0.516 nan 8.270 nan 0.000 0.446 722 G N 0.103 108.705 108.800 -0.331 0.000 2.920 722 G HA2 -0.056 3.907 3.960 0.005 0.000 0.208 722 G HA3 -0.056 3.907 3.960 0.005 0.000 0.208 722 G C 0.117 174.762 174.900 -0.424 0.000 1.159 722 G CA -0.097 44.706 45.100 -0.494 0.000 0.784 722 G HN 0.123 nan 8.290 nan 0.000 0.535 723 T N 1.234 115.662 114.554 -0.210 0.000 2.814 723 T HA 0.273 4.626 4.350 0.005 0.000 0.297 723 T C 0.293 174.997 174.700 0.007 0.000 0.956 723 T CA -0.089 61.913 62.100 -0.163 0.000 1.123 723 T CB 0.333 69.193 68.868 -0.014 0.000 0.902 723 T HN 0.281 nan 8.240 nan 0.000 0.528 724 F N 0.051 120.010 119.950 0.015 0.000 3.034 724 F HA -0.278 4.253 4.527 0.005 0.000 0.286 724 F C 1.579 177.399 175.800 0.033 0.000 0.804 724 F CA 0.422 58.453 58.000 0.051 0.000 1.161 724 F CB -2.070 36.989 39.000 0.099 0.000 1.317 724 F HN 0.698 nan 8.300 nan 0.000 0.453 725 A N -0.761 122.098 122.820 0.065 0.000 2.251 725 A HA 0.079 4.402 4.320 0.005 0.000 0.209 725 A C 1.187 178.809 177.584 0.062 0.000 1.187 725 A CA 0.290 52.362 52.037 0.058 0.000 0.823 725 A CB -0.176 18.819 19.000 -0.008 0.000 0.846 725 A HN 0.344 nan 8.150 nan 0.000 0.486 726 N N 1.523 120.245 118.700 0.037 0.000 2.447 726 N HA 0.002 4.745 4.740 0.005 0.000 0.263 726 N C 1.080 176.629 175.510 0.065 0.000 1.226 726 N CA 0.201 53.263 53.050 0.021 0.000 0.906 726 N CB 0.478 38.926 38.487 -0.064 0.000 1.060 726 N HN 0.520 nan 8.380 nan 0.000 0.468 727 I N 1.383 121.990 120.570 0.061 0.000 3.241 727 I HA -0.069 4.104 4.170 0.005 0.000 0.280 727 I C 0.941 177.102 176.117 0.074 0.000 1.320 727 I CA 0.868 62.210 61.300 0.071 0.000 1.413 727 I CB 0.032 38.070 38.000 0.063 0.000 1.060 727 I HN 0.362 nan 8.210 nan 0.000 0.500 728 R N 0.546 121.088 120.500 0.070 0.000 2.437 728 R HA 0.321 4.664 4.340 0.005 0.000 0.257 728 R C 0.228 176.649 176.300 0.202 0.000 0.927 728 R CA -0.668 55.496 56.100 0.108 0.000 1.078 728 R CB 0.316 30.671 30.300 0.092 0.000 1.161 728 R HN 0.227 nan 8.270 nan 0.000 0.529 729 L N 2.133 123.494 121.223 0.230 0.000 2.640 729 L HA -0.065 4.278 4.340 0.005 0.000 0.280 729 L C -0.292 176.667 176.870 0.148 0.000 1.229 729 L CA 0.692 55.697 54.840 0.274 0.000 0.919 729 L CB 0.285 42.489 42.059 0.241 0.000 1.168 729 L HN 0.027 nan 8.230 nan 0.000 0.496 730 L N 6.348 127.626 121.223 0.091 0.000 2.360 730 L HA 0.413 4.756 4.340 0.005 0.000 0.265 730 L C -0.312 176.550 176.870 -0.014 0.000 1.066 730 L CA -0.021 54.834 54.840 0.025 0.000 0.929 730 L CB 0.096 42.146 42.059 -0.014 0.000 1.306 730 L HN 0.706 nan 8.230 nan 0.000 0.434 731 N N 2.390 121.089 118.700 -0.002 0.000 2.458 731 N HA 0.143 4.886 4.740 0.005 0.000 0.270 731 N C 0.845 176.317 175.510 -0.064 0.000 1.102 731 N CA 0.096 53.116 53.050 -0.049 0.000 0.967 731 N CB 1.006 39.502 38.487 0.014 0.000 1.078 731 N HN 0.506 nan 8.380 nan 0.000 0.471 732 R N 2.538 122.936 120.500 -0.169 0.000 2.280 732 R HA 0.013 4.356 4.340 0.005 0.000 0.207 732 R C 0.818 177.070 176.300 -0.080 0.000 1.043 732 R CA 0.714 56.725 56.100 -0.147 0.000 1.006 732 R CB -0.059 30.122 30.300 -0.199 0.000 0.885 732 R HN 0.497 nan 8.270 nan 0.000 0.467 733 F N 0.353 120.295 119.950 -0.013 0.000 2.293 733 F HA -0.048 4.482 4.527 0.005 0.000 0.300 733 F C 1.784 177.586 175.800 0.002 0.000 1.086 733 F CA 0.940 58.939 58.000 -0.002 0.000 1.375 733 F CB -0.073 38.928 39.000 0.001 0.000 1.045 733 F HN -0.045 nan 8.300 nan 0.000 0.516 734 L N -1.222 120.111 121.223 0.184 0.000 2.556 734 L HA 0.119 4.463 4.340 0.005 0.000 0.226 734 L C 0.220 177.131 176.870 0.067 0.000 1.089 734 L CA 0.018 54.925 54.840 0.113 0.000 0.864 734 L CB -0.346 41.772 42.059 0.098 0.000 1.067 734 L HN -0.017 nan 8.230 nan 0.000 0.477 735 N N 2.565 121.293 118.700 0.047 0.000 2.699 735 N HA -0.209 4.534 4.740 0.005 0.000 0.256 735 N C -0.334 175.187 175.510 0.018 0.000 0.993 735 N CA 1.253 54.315 53.050 0.019 0.000 0.759 735 N CB -0.880 37.617 38.487 0.017 0.000 0.906 735 N HN 0.632 nan 8.380 nan 0.000 0.541 736 K N -1.562 118.853 120.400 0.024 0.000 2.625 736 K HA 0.237 4.560 4.320 0.005 0.000 0.284 736 K C -1.217 175.404 176.600 0.035 0.000 0.984 736 K CA -0.809 55.494 56.287 0.026 0.000 0.865 736 K CB 1.159 33.679 32.500 0.033 0.000 1.468 736 K HN -0.043 nan 8.250 nan 0.000 0.407 737 Q N 0.650 120.473 119.800 0.039 0.000 2.293 737 Q HA 0.505 4.848 4.340 0.005 0.000 0.263 737 Q C -0.884 175.155 176.000 0.064 0.000 1.002 737 Q CA 0.010 55.848 55.803 0.058 0.000 0.910 737 Q CB 1.321 30.096 28.738 0.061 0.000 1.185 737 Q HN 0.625 nan 8.270 nan 0.000 0.401 738 A N 4.175 127.042 122.820 0.078 0.000 2.573 738 A HA 0.376 4.699 4.320 0.005 0.000 0.299 738 A C -2.636 175.007 177.584 0.099 0.000 1.060 738 A CA -1.126 50.959 52.037 0.080 0.000 0.736 738 A CB 1.187 20.228 19.000 0.070 0.000 1.280 738 A HN 0.514 nan 8.150 nan 0.000 0.401 739 P HA 0.155 nan 4.420 nan 0.000 0.237 739 P C -0.441 176.937 177.300 0.130 0.000 1.723 739 P CA 0.647 63.826 63.100 0.131 0.000 0.882 739 P CB -0.239 31.534 31.700 0.121 0.000 1.810 740 Q N -1.095 118.773 119.800 0.114 0.000 2.544 740 Q HA 0.677 5.021 4.340 0.005 0.000 0.291 740 Q C -0.563 175.503 176.000 0.109 0.000 1.068 740 Q CA -0.684 55.182 55.803 0.105 0.000 0.785 740 Q CB 2.460 31.249 28.738 0.085 0.000 1.481 740 Q HN -0.050 nan 8.270 nan 0.000 0.430 741 T N -0.561 114.058 114.554 0.110 0.000 2.671 741 T HA 0.603 4.956 4.350 0.005 0.000 0.300 741 T C -1.689 173.061 174.700 0.084 0.000 1.238 741 T CA -0.531 61.655 62.100 0.143 0.000 1.020 741 T CB 1.050 70.024 68.868 0.178 0.000 1.503 741 T HN 0.440 nan 8.240 nan 0.000 0.497 742 I N 2.745 123.331 120.570 0.027 0.000 2.354 742 I HA 0.314 4.487 4.170 0.005 0.000 0.292 742 I C 0.214 176.276 176.117 -0.091 0.000 0.989 742 I CA -0.856 60.393 61.300 -0.086 0.000 1.188 742 I CB 1.210 39.067 38.000 -0.237 0.000 1.342 742 I HN 0.616 nan 8.210 nan 0.000 0.457 743 H N 7.393 126.354 119.070 -0.183 0.000 2.934 743 H HA 0.196 4.755 4.556 0.006 0.000 0.273 743 H C 0.434 175.578 175.328 -0.306 0.000 1.121 743 H CA -0.210 55.641 56.048 -0.329 0.000 1.451 743 H CB 1.018 30.533 29.762 -0.412 0.000 1.469 743 H HN 0.681 nan 8.280 nan 0.000 0.476 744 L N 6.311 127.186 121.223 -0.580 0.000 2.056 744 L HA -0.072 4.272 4.340 0.005 0.000 0.207 744 L C -0.477 176.111 176.870 -0.469 0.000 1.078 744 L CA 0.500 55.083 54.840 -0.429 0.000 0.749 744 L CB -1.447 40.463 42.059 -0.249 0.000 0.901 744 L HN 0.518 nan 8.230 nan 0.000 0.433 745 P HA -0.212 nan 4.420 nan 0.000 0.216 745 P C 1.762 178.912 177.300 -0.249 0.000 1.154 745 P CA 2.066 64.892 63.100 -0.456 0.000 0.865 745 P CB -0.025 31.348 31.700 -0.546 0.000 0.789 746 S N -2.966 112.603 115.700 -0.219 0.000 2.470 746 S HA 0.264 4.737 4.470 0.005 0.000 0.222 746 S C 1.799 176.371 174.600 -0.046 0.000 1.024 746 S CA 0.687 58.877 58.200 -0.016 0.000 0.931 746 S CB -0.774 62.504 63.200 0.129 0.000 0.791 746 S HN 0.297 nan 8.310 nan 0.000 0.513 747 G N 1.057 109.801 108.800 -0.094 0.000 2.176 747 G HA2 -0.243 3.721 3.960 0.005 0.000 0.253 747 G HA3 -0.243 3.721 3.960 0.005 0.000 0.253 747 G C -0.250 174.622 174.900 -0.047 0.000 0.979 747 G CA 0.181 45.235 45.100 -0.078 0.000 0.641 747 G HN 0.618 nan 8.290 nan 0.000 0.530 748 E N 0.656 120.845 120.200 -0.018 0.000 2.316 748 E HA 0.381 4.734 4.350 0.005 0.000 0.275 748 E C 0.386 176.980 176.600 -0.010 0.000 1.029 748 E CA -0.558 55.835 56.400 -0.012 0.000 0.871 748 E CB 0.946 30.635 29.700 -0.018 0.000 1.022 748 E HN 0.188 nan 8.360 nan 0.000 0.418 749 I N 4.747 125.314 120.570 -0.006 0.000 2.352 749 I HA 0.254 4.427 4.170 0.005 0.000 0.290 749 I C 0.097 176.222 176.117 0.013 0.000 1.036 749 I CA 0.023 61.329 61.300 0.010 0.000 1.336 749 I CB -0.379 37.632 38.000 0.019 0.000 1.407 749 I HN 0.406 nan 8.210 nan 0.000 0.497 750 L N 4.356 125.593 121.223 0.024 0.000 2.376 750 L HA 0.467 4.810 4.340 0.005 0.000 0.258 750 L C -0.374 176.531 176.870 0.059 0.000 1.013 750 L CA -1.162 53.691 54.840 0.023 0.000 0.822 750 L CB 2.192 44.242 42.059 -0.016 0.000 1.388 750 L HN 0.361 nan 8.230 nan 0.000 0.413 751 D N 0.454 120.899 120.400 0.076 0.000 2.449 751 D HA 0.024 4.667 4.640 0.005 0.000 0.236 751 D C 1.099 177.484 176.300 0.142 0.000 1.149 751 D CA -0.036 54.034 54.000 0.116 0.000 0.878 751 D CB 1.651 42.528 40.800 0.130 0.000 1.198 751 D HN 0.175 nan 8.370 nan 0.000 0.446 752 V N 2.026 122.046 119.914 0.177 0.000 2.332 752 V HA -0.275 3.848 4.120 0.005 0.000 0.248 752 V C 2.087 178.307 176.094 0.211 0.000 1.055 752 V CA 1.450 63.866 62.300 0.193 0.000 1.038 752 V CB -0.644 31.325 31.823 0.243 0.000 0.651 752 V HN 0.576 nan 8.190 nan 0.000 0.450 753 F N 1.527 121.541 119.950 0.106 0.000 2.161 753 F HA -0.230 4.300 4.527 0.005 0.000 0.300 753 F C 2.151 177.980 175.800 0.048 0.000 1.089 753 F CA 2.113 60.159 58.000 0.077 0.000 1.282 753 F CB -0.279 38.744 39.000 0.038 0.000 1.010 753 F HN 0.225 nan 8.300 nan 0.000 0.485 754 D N 0.487 120.928 120.400 0.069 0.000 2.123 754 D HA -0.094 4.549 4.640 0.005 0.000 0.200 754 D C 2.445 178.641 176.300 -0.172 0.000 0.976 754 D CA 1.364 55.327 54.000 -0.063 0.000 0.831 754 D CB -0.674 40.156 40.800 0.051 0.000 0.974 754 D HN 0.399 nan 8.370 nan 0.000 0.469 755 A N 1.389 124.157 122.820 -0.086 0.000 1.877 755 A HA -0.091 4.232 4.320 0.005 0.000 0.216 755 A C 2.346 179.902 177.584 -0.046 0.000 1.186 755 A CA 2.322 54.300 52.037 -0.098 0.000 0.620 755 A CB -0.746 18.284 19.000 0.050 0.000 0.822 755 A HN 0.235 nan 8.150 nan 0.000 0.443 756 A N -0.271 122.555 122.820 0.011 0.000 1.902 756 A HA -0.191 4.133 4.320 0.005 0.000 0.217 756 A C 1.926 179.468 177.584 -0.070 0.000 1.181 756 A CA 1.631 53.710 52.037 0.070 0.000 0.623 756 A CB -0.554 18.455 19.000 0.015 0.000 0.818 756 A HN 0.628 nan 8.150 nan 0.000 0.443 757 E N -0.367 119.648 120.200 -0.309 0.000 2.085 757 E HA -0.229 4.124 4.350 0.005 0.000 0.194 757 E C 2.323 178.806 176.600 -0.194 0.000 0.994 757 E CA 1.232 57.447 56.400 -0.310 0.000 0.801 757 E CB -0.269 29.176 29.700 -0.425 0.000 0.743 757 E HN 0.552 nan 8.360 nan 0.000 0.453 758 R N -0.069 120.270 120.500 -0.267 0.000 2.083 758 R HA -0.172 4.171 4.340 0.005 0.000 0.237 758 R C 2.356 178.568 176.300 -0.146 0.000 1.137 758 R CA 1.505 57.403 56.100 -0.337 0.000 0.951 758 R CB -0.472 29.333 30.300 -0.824 0.000 0.851 758 R HN 0.247 nan 8.270 nan 0.000 0.434 759 Y N 1.384 121.668 120.300 -0.027 0.000 2.128 759 Y HA -0.245 4.308 4.550 0.005 0.000 0.284 759 Y C 2.604 178.506 175.900 0.003 0.000 1.154 759 Y CA 1.496 59.612 58.100 0.027 0.000 1.149 759 Y CB -0.525 37.950 38.460 0.024 0.000 0.976 759 Y HN 0.150 nan 8.280 nan 0.000 0.505 760 Q N -0.358 119.522 119.800 0.133 0.000 2.084 760 Q HA -0.250 4.093 4.340 0.005 0.000 0.202 760 Q C 2.212 178.226 176.000 0.024 0.000 0.978 760 Q CA 1.633 57.465 55.803 0.049 0.000 0.844 760 Q CB -0.276 28.455 28.738 -0.012 0.000 0.898 760 Q HN 0.611 nan 8.270 nan 0.000 0.426 761 Q N -0.136 119.663 119.800 -0.003 0.000 2.124 761 Q HA -0.121 4.223 4.340 0.005 0.000 0.202 761 Q C 1.859 177.867 176.000 0.013 0.000 0.977 761 Q CA 1.289 57.085 55.803 -0.012 0.000 0.850 761 Q CB -0.120 28.590 28.738 -0.046 0.000 0.901 761 Q HN 0.352 nan 8.270 nan 0.000 0.429 762 A N 0.008 122.852 122.820 0.040 0.000 2.235 762 A HA 0.234 4.557 4.320 0.005 0.000 0.208 762 A C 1.394 179.027 177.584 0.082 0.000 1.172 762 A CA 0.809 52.885 52.037 0.066 0.000 0.786 762 A CB -0.311 18.747 19.000 0.097 0.000 0.804 762 A HN 0.471 nan 8.150 nan 0.000 0.479 763 G N -1.013 107.832 108.800 0.075 0.000 2.160 763 G HA2 -0.200 3.763 3.960 0.005 0.000 0.244 763 G HA3 -0.200 3.763 3.960 0.005 0.000 0.244 763 G C -0.117 174.835 174.900 0.086 0.000 1.022 763 G CA 0.282 45.420 45.100 0.064 0.000 0.741 763 G HN 0.475 nan 8.290 nan 0.000 0.508 764 L N 1.635 122.938 121.223 0.133 0.000 2.264 764 L HA 0.428 4.771 4.340 0.005 0.000 0.289 764 L C -1.408 175.515 176.870 0.089 0.000 1.044 764 L CA -2.260 52.677 54.840 0.162 0.000 0.807 764 L CB 1.294 43.552 42.059 0.331 0.000 1.192 764 L HN -0.040 nan 8.230 nan 0.000 0.425 765 P HA 0.187 nan 4.420 nan 0.000 0.270 765 P C -0.904 176.373 177.300 -0.039 0.000 1.223 765 P CA -0.079 63.024 63.100 0.006 0.000 0.785 765 P CB 1.035 32.741 31.700 0.010 0.000 0.923 766 L N 1.766 122.954 121.223 -0.057 0.000 2.354 766 L HA 0.637 4.980 4.340 0.005 0.000 0.264 766 L C 0.444 177.274 176.870 -0.066 0.000 1.008 766 L CA -1.077 53.700 54.840 -0.105 0.000 0.819 766 L CB 1.879 43.867 42.059 -0.119 0.000 1.339 766 L HN 0.390 nan 8.230 nan 0.000 0.420 767 I N -1.092 119.417 120.570 -0.102 0.000 3.174 767 I HA 0.755 4.929 4.170 0.005 0.000 0.313 767 I C -1.259 174.779 176.117 -0.131 0.000 1.155 767 I CA -1.033 60.204 61.300 -0.106 0.000 0.977 767 I CB 2.410 40.313 38.000 -0.163 0.000 1.248 767 I HN 0.176 nan 8.210 nan 0.000 0.453 768 V N 3.638 123.472 119.914 -0.133 0.000 2.540 768 V HA 0.467 4.590 4.120 0.005 0.000 0.302 768 V C -0.107 175.840 176.094 -0.246 0.000 1.035 768 V CA -0.531 61.661 62.300 -0.179 0.000 0.873 768 V CB 1.774 33.527 31.823 -0.116 0.000 0.992 768 V HN 0.495 nan 8.190 nan 0.000 0.428 769 L N 4.499 125.563 121.223 -0.266 0.000 2.307 769 L HA 0.889 5.233 4.340 0.005 0.000 0.282 769 L C 0.261 176.978 176.870 -0.255 0.000 1.051 769 L CA -0.114 54.584 54.840 -0.236 0.000 0.804 769 L CB 1.484 43.428 42.059 -0.192 0.000 1.197 769 L HN 0.780 nan 8.230 nan 0.000 0.431 770 A N 1.816 124.493 122.820 -0.239 0.000 2.593 770 A HA 0.833 5.156 4.320 0.005 0.000 0.290 770 A C -0.152 177.368 177.584 -0.107 0.000 1.126 770 A CA 0.025 51.925 52.037 -0.229 0.000 0.695 770 A CB 1.312 20.027 19.000 -0.475 0.000 1.290 770 A HN 0.725 nan 8.150 nan 0.000 0.414 771 G N -0.234 108.524 108.800 -0.071 0.000 3.137 771 G HA2 0.465 4.428 3.960 0.005 0.000 0.163 771 G HA3 0.465 4.428 3.960 0.005 0.000 0.163 771 G C -0.107 174.768 174.900 -0.042 0.000 1.602 771 G CA -0.537 44.532 45.100 -0.053 0.000 1.067 771 G HN 0.768 nan 8.290 nan 0.000 0.568 772 K N 0.483 120.868 120.400 -0.026 0.000 2.154 772 K HA 0.309 4.633 4.320 0.005 0.000 0.264 772 K C -0.216 176.385 176.600 0.002 0.000 1.008 772 K CA 0.017 56.295 56.287 -0.015 0.000 0.937 772 K CB 0.931 33.428 32.500 -0.006 0.000 1.002 772 K HN 0.593 nan 8.250 nan 0.000 0.469 773 E N 0.258 120.461 120.200 0.005 0.000 2.476 773 E HA -0.295 4.059 4.350 0.005 0.000 0.251 773 E C -1.044 175.564 176.600 0.014 0.000 1.130 773 E CA 0.408 56.818 56.400 0.017 0.000 0.736 773 E CB -1.425 28.279 29.700 0.006 0.000 1.298 773 E HN 0.452 nan 8.360 nan 0.000 0.400 774 Y N 0.703 120.929 120.300 -0.122 0.000 2.526 774 Y HA 0.196 4.749 4.550 0.005 0.000 0.330 774 Y C 1.469 177.373 175.900 0.007 0.000 1.156 774 Y CA 1.680 59.714 58.100 -0.109 0.000 1.419 774 Y CB 0.761 39.086 38.460 -0.226 0.000 1.250 774 Y HN 0.254 nan 8.280 nan 0.000 0.540 775 G N 3.468 111.824 108.800 -0.739 0.000 2.132 775 G HA2 -0.195 3.769 3.960 0.005 0.000 0.234 775 G HA3 -0.195 3.769 3.960 0.005 0.000 0.234 775 G C 0.171 174.905 174.900 -0.277 0.000 0.989 775 G CA -0.177 44.510 45.100 -0.688 0.000 0.676 775 G HN 1.186 nan 8.290 nan 0.000 0.522 776 A N -0.645 122.053 122.820 -0.203 0.000 2.507 776 A HA 0.763 5.086 4.320 0.005 0.000 0.235 776 A C 1.902 179.445 177.584 -0.070 0.000 1.070 776 A CA 2.256 54.238 52.037 -0.092 0.000 0.768 776 A CB 0.189 19.136 19.000 -0.088 0.000 1.011 776 A HN 2.566 nan 8.150 nan 0.000 0.502 777 G N -0.178 108.631 108.800 0.014 0.000 2.662 777 G HA2 -0.007 3.956 3.960 0.005 0.000 0.236 777 G HA3 -0.007 3.956 3.960 0.005 0.000 0.236 777 G C 0.713 175.636 174.900 0.038 0.000 1.212 777 G CA 0.584 45.731 45.100 0.077 0.000 0.968 777 G HN 2.108 nan 8.290 nan 0.000 0.576 778 S N 0.520 116.262 115.700 0.070 0.000 2.563 778 S HA 0.394 4.867 4.470 0.005 0.000 0.284 778 S C 1.932 176.569 174.600 0.061 0.000 1.331 778 S CA 1.094 59.344 58.200 0.082 0.000 1.047 778 S CB 0.779 64.054 63.200 0.125 0.000 0.859 778 S HN 2.067 nan 8.310 nan 0.000 0.514 779 S N 3.675 119.421 115.700 0.076 0.000 2.561 779 S HA -0.014 4.459 4.470 0.005 0.000 0.225 779 S C 0.660 175.310 174.600 0.084 0.000 0.977 779 S CA -0.258 57.990 58.200 0.081 0.000 0.926 779 S CB -0.461 62.792 63.200 0.089 0.000 0.769 779 S HN 0.863 nan 8.310 nan 0.000 0.533 780 R N 2.035 122.589 120.500 0.090 0.000 2.486 780 R HA -0.021 4.322 4.340 0.005 0.000 0.304 780 R C 0.055 176.399 176.300 0.073 0.000 0.913 780 R CA 0.731 56.888 56.100 0.094 0.000 1.124 780 R CB -0.251 30.116 30.300 0.113 0.000 0.891 780 R HN 0.336 nan 8.270 nan 0.000 0.410 781 D N 3.198 123.602 120.400 0.007 0.000 2.363 781 D HA -0.144 4.500 4.640 0.005 0.000 0.220 781 D C 0.858 177.054 176.300 -0.173 0.000 0.994 781 D CA 0.339 54.281 54.000 -0.096 0.000 0.890 781 D CB -0.208 40.474 40.800 -0.197 0.000 0.906 781 D HN 0.732 nan 8.370 nan 0.000 0.530 782 W N 1.102 122.383 121.300 -0.033 0.000 2.421 782 W HA 0.111 4.774 4.660 0.005 0.000 0.270 782 W C 2.386 178.877 176.519 -0.046 0.000 1.233 782 W CA 1.127 58.447 57.345 -0.041 0.000 1.226 782 W CB 0.084 29.503 29.460 -0.068 0.000 1.121 782 W HN 0.091 nan 8.180 nan 0.000 0.579 783 A N -0.435 122.479 122.820 0.157 0.000 2.168 783 A HA 0.151 4.474 4.320 0.005 0.000 0.215 783 A C 1.881 179.610 177.584 0.241 0.000 1.152 783 A CA 1.660 53.757 52.037 0.101 0.000 0.716 783 A CB -0.626 18.373 19.000 -0.002 0.000 0.794 783 A HN 0.182 nan 8.150 nan 0.000 0.465 784 A N -0.238 122.665 122.820 0.138 0.000 1.944 784 A HA 0.180 4.503 4.320 0.005 0.000 0.207 784 A C 1.931 179.517 177.584 0.003 0.000 1.265 784 A CA 0.896 52.970 52.037 0.061 0.000 0.712 784 A CB -0.157 18.794 19.000 -0.083 0.000 0.915 784 A HN 0.362 nan 8.150 nan 0.000 0.470 785 K N 0.152 120.424 120.400 -0.212 0.000 2.074 785 K HA -0.128 4.195 4.320 0.005 0.000 0.209 785 K C 2.027 178.744 176.600 0.195 0.000 1.048 785 K CA 1.332 57.413 56.287 -0.343 0.000 0.926 785 K CB -0.425 31.342 32.500 -1.222 0.000 0.713 785 K HN 0.441 nan 8.250 nan 0.000 0.444 786 G N 1.953 111.013 108.800 0.434 0.000 2.480 786 G HA2 -0.198 3.766 3.960 0.005 0.000 0.216 786 G HA3 -0.198 3.766 3.960 0.005 0.000 0.216 786 G C -1.007 174.107 174.900 0.356 0.000 1.200 786 G CA 0.714 46.123 45.100 0.515 0.000 0.782 786 G HN 0.218 nan 8.290 nan 0.000 0.554 787 P HA -0.135 nan 4.420 nan 0.000 0.216 787 P C 1.626 179.102 177.300 0.293 0.000 1.153 787 P CA 0.837 64.130 63.100 0.322 0.000 0.858 787 P CB -0.152 31.759 31.700 0.352 0.000 0.789 788 F N 0.394 120.432 119.950 0.147 0.000 2.065 788 F HA -0.221 4.309 4.527 0.005 0.000 0.298 788 F C 1.842 177.733 175.800 0.152 0.000 1.112 788 F CA 1.647 59.716 58.000 0.116 0.000 1.212 788 F CB -0.900 38.124 39.000 0.041 0.000 0.975 788 F HN -0.244 nan 8.300 nan 0.000 0.476 789 L N 0.161 121.576 121.223 0.320 0.000 2.275 789 L HA -0.159 4.184 4.340 0.005 0.000 0.215 789 L C 2.038 178.978 176.870 0.116 0.000 1.119 789 L CA 0.536 55.503 54.840 0.212 0.000 0.790 789 L CB -0.555 41.753 42.059 0.415 0.000 0.919 789 L HN 0.285 nan 8.230 nan 0.000 0.443 790 L N -0.242 121.075 121.223 0.156 0.000 2.599 790 L HA 0.107 4.450 4.340 0.005 0.000 0.230 790 L C 1.357 178.251 176.870 0.040 0.000 1.141 790 L CA 0.593 55.504 54.840 0.120 0.000 0.877 790 L CB -0.574 41.612 42.059 0.213 0.000 1.009 790 L HN 0.497 nan 8.230 nan 0.000 0.447 791 G N 1.083 109.864 108.800 -0.032 0.000 2.132 791 G HA2 -0.267 3.696 3.960 0.005 0.000 0.228 791 G HA3 -0.267 3.696 3.960 0.005 0.000 0.228 791 G C 0.098 174.979 174.900 -0.030 0.000 1.000 791 G CA -0.359 44.694 45.100 -0.077 0.000 0.693 791 G HN 0.287 nan 8.290 nan 0.000 0.515 792 I N 0.490 121.076 120.570 0.027 0.000 2.452 792 I HA 0.231 4.404 4.170 0.005 0.000 0.287 792 I C 1.380 177.538 176.117 0.068 0.000 1.079 792 I CA -0.429 60.910 61.300 0.065 0.000 1.387 792 I CB 1.056 39.147 38.000 0.151 0.000 1.404 792 I HN -0.110 nan 8.210 nan 0.000 0.522 793 K N 5.039 125.471 120.400 0.053 0.000 2.334 793 K HA 0.429 4.752 4.320 0.005 0.000 0.195 793 K C 0.151 176.813 176.600 0.104 0.000 1.045 793 K CA 0.235 56.574 56.287 0.087 0.000 1.004 793 K CB 0.674 33.214 32.500 0.067 0.000 0.837 793 K HN 0.679 nan 8.250 nan 0.000 0.510 794 A N 0.218 123.073 122.820 0.058 0.000 2.612 794 A HA 0.626 4.949 4.320 0.005 0.000 0.293 794 A C -1.394 176.190 177.584 0.000 0.000 1.075 794 A CA -0.608 51.443 52.037 0.023 0.000 0.680 794 A CB 1.585 20.578 19.000 -0.011 0.000 1.279 794 A HN -0.144 nan 8.150 nan 0.000 0.411 795 V N 0.872 120.783 119.914 -0.006 0.000 2.735 795 V HA 0.664 4.787 4.120 0.005 0.000 0.310 795 V C -1.201 174.857 176.094 -0.060 0.000 1.061 795 V CA -0.507 61.771 62.300 -0.037 0.000 0.913 795 V CB 1.662 33.511 31.823 0.044 0.000 1.005 795 V HN 0.909 nan 8.190 nan 0.000 0.428 796 L N 4.534 125.655 121.223 -0.170 0.000 2.342 796 L HA 0.947 5.291 4.340 0.005 0.000 0.276 796 L C -0.174 176.527 176.870 -0.283 0.000 0.997 796 L CA -0.026 54.668 54.840 -0.243 0.000 0.838 796 L CB 0.961 42.849 42.059 -0.286 0.000 1.224 796 L HN 0.839 nan 8.230 nan 0.000 0.416 797 A N 3.606 126.261 122.820 -0.274 0.000 2.527 797 A HA 0.623 4.946 4.320 0.005 0.000 0.293 797 A C 0.389 177.979 177.584 0.010 0.000 1.117 797 A CA -0.447 51.452 52.037 -0.231 0.000 0.723 797 A CB 1.122 19.703 19.000 -0.699 0.000 1.313 797 A HN 0.757 nan 8.150 nan 0.000 0.411 798 E N 0.086 120.350 120.200 0.107 0.000 2.107 798 E HA 0.042 4.395 4.350 0.005 0.000 0.191 798 E C 0.311 176.935 176.600 0.040 0.000 0.982 798 E CA 1.365 57.851 56.400 0.144 0.000 0.809 798 E CB 0.055 29.770 29.700 0.025 0.000 0.756 798 E HN 0.729 nan 8.360 nan 0.000 0.459 799 S N -1.117 114.540 115.700 -0.072 0.000 2.547 799 S HA 0.480 4.953 4.470 0.005 0.000 0.270 799 S C -1.322 173.205 174.600 -0.123 0.000 1.150 799 S CA -1.006 57.185 58.200 -0.015 0.000 0.850 799 S CB 0.829 64.051 63.200 0.036 0.000 1.118 799 S HN 0.071 nan 8.310 nan 0.000 0.461 800 Y N 0.412 120.772 120.300 0.100 0.000 2.524 800 Y HA 0.588 5.141 4.550 0.005 0.000 0.344 800 Y C 0.548 176.506 175.900 0.096 0.000 1.012 800 Y CA -0.869 57.316 58.100 0.141 0.000 1.068 800 Y CB 1.313 39.846 38.460 0.122 0.000 1.249 800 Y HN 0.620 nan 8.280 nan 0.000 0.468 801 E N 1.328 121.690 120.200 0.269 0.000 2.283 801 E HA 0.186 4.539 4.350 0.005 0.000 0.267 801 E C 0.745 177.445 176.600 0.166 0.000 1.045 801 E CA -0.478 56.019 56.400 0.161 0.000 0.884 801 E CB 1.324 31.080 29.700 0.094 0.000 1.106 801 E HN 0.592 nan 8.360 nan 0.000 0.408 802 R N 1.845 122.401 120.500 0.093 0.000 2.070 802 R HA -0.109 4.235 4.340 0.005 0.000 0.233 802 R C 2.004 178.342 176.300 0.063 0.000 1.137 802 R CA 1.331 57.464 56.100 0.054 0.000 0.945 802 R CB -0.385 29.917 30.300 0.003 0.000 0.845 802 R HN 0.560 nan 8.270 nan 0.000 0.430 803 I N -0.535 120.082 120.570 0.079 0.000 2.252 803 I HA -0.243 3.930 4.170 0.005 0.000 0.245 803 I C 2.495 178.678 176.117 0.110 0.000 1.102 803 I CA 1.347 62.701 61.300 0.091 0.000 1.385 803 I CB -0.531 37.526 38.000 0.095 0.000 1.064 803 I HN 0.259 nan 8.210 nan 0.000 0.414 804 H N 1.383 120.478 119.070 0.041 0.000 2.321 804 H HA -0.144 4.415 4.556 0.005 0.000 0.300 804 H C 2.368 177.733 175.328 0.061 0.000 1.087 804 H CA 1.729 57.807 56.048 0.051 0.000 1.319 804 H CB -0.088 29.707 29.762 0.054 0.000 1.379 804 H HN 0.044 nan 8.280 nan 0.000 0.501 805 R N -0.270 120.232 120.500 0.004 0.000 2.105 805 R HA -0.120 4.224 4.340 0.005 0.000 0.239 805 R C 2.189 178.384 176.300 -0.175 0.000 1.135 805 R CA 1.584 57.566 56.100 -0.195 0.000 0.967 805 R CB -0.170 30.020 30.300 -0.184 0.000 0.861 805 R HN 0.302 nan 8.270 nan 0.000 0.442 806 S N 0.294 115.951 115.700 -0.071 0.000 2.406 806 S HA -0.046 4.427 4.470 0.005 0.000 0.228 806 S C 1.391 175.963 174.600 -0.046 0.000 1.020 806 S CA 1.218 59.407 58.200 -0.019 0.000 0.965 806 S CB -0.200 63.022 63.200 0.036 0.000 0.798 806 S HN 0.516 nan 8.310 nan 0.000 0.488 807 N N 1.010 119.652 118.700 -0.096 0.000 2.216 807 N HA 0.083 4.826 4.740 0.005 0.000 0.183 807 N C 1.608 177.022 175.510 -0.160 0.000 1.017 807 N CA 0.717 53.692 53.050 -0.125 0.000 0.861 807 N CB -0.167 38.264 38.487 -0.093 0.000 0.986 807 N HN 0.239 nan 8.380 nan 0.000 0.428 808 L N 0.605 121.691 121.223 -0.228 0.000 1.989 808 L HA -0.172 4.171 4.340 0.005 0.000 0.211 808 L C 2.252 179.112 176.870 -0.016 0.000 1.071 808 L CA 0.968 55.716 54.840 -0.152 0.000 0.749 808 L CB -0.586 41.342 42.059 -0.219 0.000 0.890 808 L HN 0.057 nan 8.230 nan 0.000 0.431 809 V N 0.332 120.255 119.914 0.016 0.000 2.282 809 V HA -0.270 3.853 4.120 0.005 0.000 0.249 809 V C 2.545 178.734 176.094 0.159 0.000 1.057 809 V CA 2.152 64.588 62.300 0.227 0.000 1.032 809 V CB -1.309 30.670 31.823 0.260 0.000 0.645 809 V HN 0.615 nan 8.190 nan 0.000 0.447 810 G N -1.193 107.617 108.800 0.017 0.000 2.509 810 G HA2 -0.170 3.793 3.960 0.005 0.000 0.218 810 G HA3 -0.170 3.793 3.960 0.005 0.000 0.218 810 G C 1.241 176.040 174.900 -0.168 0.000 1.124 810 G CA 0.458 45.496 45.100 -0.104 0.000 0.776 810 G HN 0.390 nan 8.290 nan 0.000 0.547 811 M N 0.220 119.726 119.600 -0.155 0.000 2.383 811 M HA 0.259 4.742 4.480 0.005 0.000 0.247 811 M C 1.779 178.040 176.300 -0.064 0.000 1.117 811 M CA 0.197 55.335 55.300 -0.271 0.000 0.995 811 M CB -0.116 32.281 32.600 -0.339 0.000 1.480 811 M HN 0.376 nan 8.290 nan 0.000 0.485 812 G N 0.791 109.657 108.800 0.110 0.000 2.159 812 G HA2 -0.199 3.764 3.960 0.005 0.000 0.256 812 G HA3 -0.199 3.764 3.960 0.005 0.000 0.256 812 G C 0.149 175.297 174.900 0.415 0.000 0.977 812 G CA 0.132 45.398 45.100 0.277 0.000 0.652 812 G HN 0.347 nan 8.290 nan 0.000 0.531 813 V N 1.551 121.655 119.914 0.316 0.000 2.530 813 V HA 0.448 4.571 4.120 0.005 0.000 0.282 813 V C 1.073 177.293 176.094 0.210 0.000 1.048 813 V CA -0.389 62.070 62.300 0.266 0.000 0.997 813 V CB 1.448 33.388 31.823 0.194 0.000 0.987 813 V HN 0.308 nan 8.190 nan 0.000 0.477 814 I N 8.025 128.680 120.570 0.141 0.000 2.379 814 I HA 0.257 4.431 4.170 0.005 0.000 0.290 814 I C -2.140 173.829 176.117 -0.247 0.000 1.063 814 I CA -1.559 59.672 61.300 -0.115 0.000 1.351 814 I CB 1.194 39.122 38.000 -0.120 0.000 1.410 814 I HN 0.462 nan 8.210 nan 0.000 0.505 815 P HA 0.310 nan 4.420 nan 0.000 0.288 815 P C -0.761 176.321 177.300 -0.363 0.000 1.363 815 P CA -0.241 62.590 63.100 -0.449 0.000 0.837 815 P CB 0.474 31.645 31.700 -0.883 0.000 0.981 816 L N 2.580 123.725 121.223 -0.130 0.000 2.357 816 L HA 0.513 4.856 4.340 0.005 0.000 0.273 816 L C 0.851 177.727 176.870 0.010 0.000 1.080 816 L CA -0.381 54.389 54.840 -0.116 0.000 0.803 816 L CB 1.105 43.078 42.059 -0.143 0.000 1.174 816 L HN 0.325 nan 8.230 nan 0.000 0.443 817 E N 0.944 121.126 120.200 -0.031 0.000 2.275 817 E HA 0.324 4.677 4.350 0.005 0.000 0.270 817 E C -1.461 175.123 176.600 -0.027 0.000 0.882 817 E CA -0.745 55.673 56.400 0.030 0.000 0.758 817 E CB 1.412 31.192 29.700 0.134 0.000 1.195 817 E HN 0.305 nan 8.360 nan 0.000 0.419 818 Y N 2.105 122.434 120.300 0.049 0.000 2.550 818 Y HA 0.012 4.566 4.550 0.005 0.000 0.343 818 Y C 0.766 176.688 175.900 0.037 0.000 1.245 818 Y CA 0.163 58.291 58.100 0.046 0.000 1.462 818 Y CB 0.398 38.852 38.460 -0.009 0.000 1.340 818 Y HN 0.358 nan 8.280 nan 0.000 0.604 819 L N 4.146 125.500 121.223 0.219 0.000 2.452 819 L HA 0.204 4.548 4.340 0.005 0.000 0.267 819 L C -2.075 174.855 176.870 0.100 0.000 1.188 819 L CA -2.033 52.883 54.840 0.126 0.000 0.821 819 L CB -0.021 42.102 42.059 0.106 0.000 1.102 819 L HN 0.370 nan 8.230 nan 0.000 0.470 820 P HA -0.036 nan 4.420 nan 0.000 0.263 820 P C 0.704 178.015 177.300 0.018 0.000 1.175 820 P CA 0.932 64.053 63.100 0.035 0.000 0.761 820 P CB 0.468 32.182 31.700 0.024 0.000 0.794 821 G N 1.434 110.231 108.800 -0.005 0.000 2.162 821 G HA2 -0.247 3.716 3.960 0.005 0.000 0.260 821 G HA3 -0.247 3.716 3.960 0.005 0.000 0.260 821 G C -0.106 174.762 174.900 -0.053 0.000 0.976 821 G CA -0.069 45.014 45.100 -0.028 0.000 0.655 821 G HN 0.588 nan 8.290 nan 0.000 0.533 822 E N 0.175 120.344 120.200 -0.052 0.000 2.256 822 E HA 0.611 4.965 4.350 0.005 0.000 0.267 822 E C -0.074 176.313 176.600 -0.354 0.000 0.892 822 E CA -0.447 55.887 56.400 -0.110 0.000 0.775 822 E CB 1.650 31.366 29.700 0.027 0.000 1.207 822 E HN 0.527 nan 8.360 nan 0.000 0.420 823 N N -0.602 117.699 118.700 -0.665 0.000 3.356 823 N HA 0.219 4.962 4.740 0.005 0.000 0.246 823 N C -0.050 174.930 175.510 -0.883 0.000 1.480 823 N CA -0.211 52.053 53.050 -1.310 0.000 0.877 823 N CB 0.073 38.137 38.487 -0.705 0.000 1.431 823 N HN 0.359 nan 8.380 nan 0.000 0.500 824 A N -0.177 122.217 122.820 -0.710 0.000 1.892 824 A HA -0.221 4.102 4.320 0.005 0.000 0.218 824 A C 1.261 178.715 177.584 -0.216 0.000 1.188 824 A CA 2.296 54.162 52.037 -0.286 0.000 0.631 824 A CB -1.047 17.863 19.000 -0.149 0.000 0.822 824 A HN 0.738 nan 8.150 nan 0.000 0.447 825 D N -0.313 119.961 120.400 -0.211 0.000 2.123 825 D HA 0.028 4.672 4.640 0.005 0.000 0.200 825 D C 2.215 178.429 176.300 -0.143 0.000 0.976 825 D CA 1.393 55.306 54.000 -0.145 0.000 0.831 825 D CB -0.470 40.257 40.800 -0.122 0.000 0.974 825 D HN 0.433 nan 8.370 nan 0.000 0.469 826 A N 0.559 123.270 122.820 -0.182 0.000 2.019 826 A HA -0.071 4.252 4.320 0.005 0.000 0.219 826 A C 2.200 179.695 177.584 -0.148 0.000 1.164 826 A CA 0.781 52.726 52.037 -0.153 0.000 0.644 826 A CB -0.520 18.384 19.000 -0.161 0.000 0.805 826 A HN 0.210 nan 8.150 nan 0.000 0.449 827 L N -1.374 119.729 121.223 -0.199 0.000 2.567 827 L HA 0.200 4.543 4.340 0.005 0.000 0.225 827 L C 1.575 178.365 176.870 -0.134 0.000 1.119 827 L CA 0.445 55.165 54.840 -0.200 0.000 0.871 827 L CB -0.133 41.698 42.059 -0.381 0.000 1.036 827 L HN 0.545 nan 8.230 nan 0.000 0.459 828 G N 1.181 109.917 108.800 -0.106 0.000 2.198 828 G HA2 -0.279 3.684 3.960 0.005 0.000 0.260 828 G HA3 -0.279 3.684 3.960 0.005 0.000 0.260 828 G C 0.179 175.059 174.900 -0.034 0.000 1.025 828 G CA -0.104 44.960 45.100 -0.060 0.000 0.769 828 G HN 0.249 nan 8.290 nan 0.000 0.507 829 L N 0.345 121.544 121.223 -0.040 0.000 2.380 829 L HA 0.420 4.763 4.340 0.005 0.000 0.273 829 L C 1.929 178.840 176.870 0.068 0.000 1.138 829 L CA 0.286 55.153 54.840 0.045 0.000 0.832 829 L CB 1.024 43.138 42.059 0.091 0.000 1.124 829 L HN 0.388 nan 8.230 nan 0.000 0.454 830 T N -2.420 112.210 114.554 0.126 0.000 3.015 830 T HA 0.167 4.520 4.350 0.005 0.000 0.250 830 T C 1.336 176.181 174.700 0.243 0.000 1.057 830 T CA 0.460 62.648 62.100 0.147 0.000 1.066 830 T CB 0.507 69.461 68.868 0.143 0.000 0.959 830 T HN 0.935 nan 8.240 nan 0.000 0.488 831 G N 1.385 110.370 108.800 0.308 0.000 2.205 831 G HA2 -0.316 3.647 3.960 0.005 0.000 0.261 831 G HA3 -0.316 3.647 3.960 0.005 0.000 0.261 831 G C 0.872 176.094 174.900 0.536 0.000 0.980 831 G CA 0.528 45.861 45.100 0.388 0.000 0.632 831 G HN 0.581 nan 8.290 nan 0.000 0.533 832 Q N 0.232 120.268 119.800 0.394 0.000 2.424 832 Q HA 0.183 4.526 4.340 0.005 0.000 0.204 832 Q C 0.786 176.916 176.000 0.215 0.000 0.933 832 Q CA 0.721 56.670 55.803 0.245 0.000 0.929 832 Q CB 0.200 29.025 28.738 0.146 0.000 1.037 832 Q HN 0.748 nan 8.270 nan 0.000 0.511 833 E N 0.901 121.246 120.200 0.242 0.000 2.391 833 E HA 0.181 4.535 4.350 0.005 0.000 0.255 833 E C -0.369 176.313 176.600 0.137 0.000 1.187 833 E CA -0.041 56.414 56.400 0.092 0.000 0.941 833 E CB 0.625 30.264 29.700 -0.101 0.000 1.010 833 E HN -0.008 nan 8.360 nan 0.000 0.458 834 R N 0.734 121.187 120.500 -0.079 0.000 2.393 834 R HA 0.354 4.697 4.340 0.005 0.000 0.310 834 R C -1.012 175.230 176.300 -0.098 0.000 0.968 834 R CA -0.661 55.383 56.100 -0.094 0.000 0.867 834 R CB 0.798 30.919 30.300 -0.298 0.000 1.124 834 R HN 0.455 nan 8.270 nan 0.000 0.450 835 Y N 0.590 120.818 120.300 -0.119 0.000 2.328 835 Y HA 0.263 4.816 4.550 0.005 0.000 0.337 835 Y C 0.246 176.092 175.900 -0.090 0.000 0.966 835 Y CA -0.506 57.549 58.100 -0.075 0.000 1.136 835 Y CB 2.302 40.738 38.460 -0.040 0.000 1.170 835 Y HN 0.408 nan 8.280 nan 0.000 0.470 836 T N 5.706 120.253 114.554 -0.012 0.000 2.770 836 T HA 0.575 4.929 4.350 0.005 0.000 0.283 836 T C -0.353 174.315 174.700 -0.054 0.000 0.988 836 T CA -0.428 61.653 62.100 -0.033 0.000 0.957 836 T CB 0.229 69.061 68.868 -0.060 0.000 0.930 836 T HN 0.353 nan 8.240 nan 0.000 0.443 837 I N 4.463 125.016 120.570 -0.029 0.000 2.354 837 I HA 0.351 4.524 4.170 0.005 0.000 0.286 837 I C -0.600 175.498 176.117 -0.031 0.000 1.007 837 I CA -0.799 60.471 61.300 -0.050 0.000 1.167 837 I CB 1.162 39.144 38.000 -0.030 0.000 1.320 837 I HN 0.474 nan 8.210 nan 0.000 0.458 838 I N 7.682 128.223 120.570 -0.050 0.000 2.396 838 I HA 0.197 4.371 4.170 0.005 0.000 0.289 838 I C 0.149 176.264 176.117 -0.004 0.000 1.056 838 I CA 0.207 61.492 61.300 -0.025 0.000 1.365 838 I CB 0.145 38.123 38.000 -0.037 0.000 1.407 838 I HN 0.340 nan 8.210 nan 0.000 0.509 839 I N 8.693 129.281 120.570 0.029 0.000 2.312 839 I HA 0.324 4.497 4.170 0.005 0.000 0.290 839 I C -2.007 174.140 176.117 0.051 0.000 1.008 839 I CA -1.781 59.555 61.300 0.061 0.000 1.226 839 I CB 0.954 39.035 38.000 0.135 0.000 1.371 839 I HN 0.355 nan 8.210 nan 0.000 0.468 840 P HA 0.155 nan 4.420 nan 0.000 0.274 840 P C 0.291 177.616 177.300 0.041 0.000 1.237 840 P CA -0.303 62.814 63.100 0.029 0.000 0.793 840 P CB 1.013 32.724 31.700 0.018 0.000 0.977 841 E N 0.013 120.231 120.200 0.029 0.000 2.110 841 E HA -0.074 4.279 4.350 0.005 0.000 0.193 841 E C 0.142 176.759 176.600 0.028 0.000 0.988 841 E CA 1.277 57.694 56.400 0.028 0.000 0.804 841 E CB -0.153 29.558 29.700 0.017 0.000 0.745 841 E HN 0.411 nan 8.360 nan 0.000 0.458 842 N N 0.381 119.095 118.700 0.023 0.000 2.372 842 N HA 0.281 5.024 4.740 0.005 0.000 0.291 842 N C -0.775 174.749 175.510 0.023 0.000 1.024 842 N CA -0.249 52.812 53.050 0.019 0.000 0.873 842 N CB 1.808 40.301 38.487 0.010 0.000 1.206 842 N HN -0.019 nan 8.380 nan 0.000 0.486 843 L N 1.328 122.567 121.223 0.026 0.000 2.334 843 L HA 0.542 4.885 4.340 0.005 0.000 0.273 843 L C -0.069 176.808 176.870 0.012 0.000 1.013 843 L CA -0.820 54.038 54.840 0.029 0.000 0.816 843 L CB 1.571 43.663 42.059 0.056 0.000 1.278 843 L HN 0.212 nan 8.230 nan 0.000 0.431 844 K N 2.123 122.529 120.400 0.011 0.000 2.371 844 K HA 0.513 4.836 4.320 0.005 0.000 0.251 844 K C -2.643 173.964 176.600 0.011 0.000 0.934 844 K CA -1.954 54.335 56.287 0.002 0.000 0.798 844 K CB 2.069 34.567 32.500 -0.004 0.000 1.204 844 K HN 0.066 nan 8.250 nan 0.000 0.427 845 P HA -0.018 nan 4.420 nan 0.000 0.261 845 P C -0.849 176.449 177.300 -0.003 0.000 1.183 845 P CA 0.597 63.706 63.100 0.015 0.000 0.761 845 P CB 0.417 32.114 31.700 -0.005 0.000 0.785 846 Q N -0.533 119.259 119.800 -0.013 0.000 2.489 846 Q HA -0.222 4.121 4.340 0.005 0.000 0.259 846 Q C 0.277 176.255 176.000 -0.036 0.000 0.934 846 Q CA 0.478 56.255 55.803 -0.042 0.000 1.131 846 Q CB -2.126 26.590 28.738 -0.036 0.000 1.472 846 Q HN 0.625 nan 8.270 nan 0.000 0.560 847 M N -0.193 119.391 119.600 -0.027 0.000 2.245 847 M HA 0.309 4.793 4.480 0.005 0.000 0.330 847 M C -0.188 176.089 176.300 -0.038 0.000 1.098 847 M CA 0.249 55.534 55.300 -0.024 0.000 1.172 847 M CB 0.649 33.241 32.600 -0.013 0.000 1.467 847 M HN -0.043 nan 8.290 nan 0.000 0.454 848 K N 2.550 122.932 120.400 -0.029 0.000 2.249 848 K HA 0.508 4.831 4.320 0.005 0.000 0.280 848 K C -0.456 176.119 176.600 -0.042 0.000 1.033 848 K CA -0.740 55.528 56.287 -0.033 0.000 0.946 848 K CB 1.306 33.797 32.500 -0.016 0.000 1.005 848 K HN 0.653 nan 8.250 nan 0.000 0.469 849 V N -0.349 119.528 119.914 -0.061 0.000 2.960 849 V HA 0.385 4.508 4.120 0.005 0.000 0.315 849 V C -0.659 175.373 176.094 -0.103 0.000 1.087 849 V CA -1.172 61.084 62.300 -0.072 0.000 0.982 849 V CB 1.702 33.478 31.823 -0.079 0.000 1.039 849 V HN 0.763 nan 8.190 nan 0.000 0.437 850 Q N 1.681 121.414 119.800 -0.112 0.000 2.267 850 Q HA 0.620 4.963 4.340 0.005 0.000 0.255 850 Q C -1.098 174.756 176.000 -0.243 0.000 0.923 850 Q CA -0.243 55.462 55.803 -0.162 0.000 0.925 850 Q CB 1.629 30.298 28.738 -0.115 0.000 1.195 850 Q HN 0.810 nan 8.270 nan 0.000 0.417 851 V N 4.664 124.314 119.914 -0.441 0.000 2.417 851 V HA 0.467 4.591 4.120 0.005 0.000 0.291 851 V C -0.582 175.214 176.094 -0.497 0.000 1.024 851 V CA -0.765 61.211 62.300 -0.541 0.000 0.861 851 V CB 1.629 32.911 31.823 -0.901 0.000 0.985 851 V HN 0.754 nan 8.190 nan 0.000 0.436 852 K N 4.934 125.160 120.400 -0.291 0.000 2.292 852 K HA 0.702 5.025 4.320 0.005 0.000 0.257 852 K C -1.108 175.360 176.600 -0.220 0.000 0.940 852 K CA -0.530 55.631 56.287 -0.209 0.000 0.811 852 K CB 2.098 34.516 32.500 -0.137 0.000 1.120 852 K HN 0.506 nan 8.250 nan 0.000 0.428 853 L N 2.228 123.324 121.223 -0.211 0.000 2.375 853 L HA 0.213 4.556 4.340 0.005 0.000 0.268 853 L C 1.186 177.954 176.870 -0.169 0.000 1.058 853 L CA -0.613 54.065 54.840 -0.270 0.000 0.803 853 L CB 1.068 42.956 42.059 -0.285 0.000 1.212 853 L HN 0.803 nan 8.230 nan 0.000 0.451 854 D N -1.214 119.086 120.400 -0.166 0.000 2.348 854 D HA -0.158 4.485 4.640 0.005 0.000 0.216 854 D C 1.469 177.720 176.300 -0.081 0.000 0.970 854 D CA 1.166 55.100 54.000 -0.110 0.000 0.889 854 D CB -0.261 40.474 40.800 -0.108 0.000 0.912 854 D HN 0.707 nan 8.370 nan 0.000 0.524 855 T N -4.465 110.038 114.554 -0.085 0.000 3.067 855 T HA 0.353 4.707 4.350 0.005 0.000 0.261 855 T C 1.780 176.453 174.700 -0.044 0.000 1.110 855 T CA 0.871 62.938 62.100 -0.055 0.000 1.113 855 T CB 0.132 68.971 68.868 -0.048 0.000 0.917 855 T HN 0.377 nan 8.240 nan 0.000 0.499 856 G N 1.455 110.223 108.800 -0.053 0.000 2.284 856 G HA2 -0.237 3.726 3.960 0.005 0.000 0.216 856 G HA3 -0.237 3.726 3.960 0.005 0.000 0.216 856 G C 0.068 174.951 174.900 -0.028 0.000 1.009 856 G CA 0.021 45.097 45.100 -0.039 0.000 0.625 856 G HN 0.877 nan 8.290 nan 0.000 0.501 857 K N 1.965 122.354 120.400 -0.018 0.000 2.489 857 K HA 0.441 4.765 4.320 0.005 0.000 0.278 857 K C 0.336 176.955 176.600 0.033 0.000 1.000 857 K CA 0.941 57.240 56.287 0.021 0.000 1.012 857 K CB 0.209 32.732 32.500 0.039 0.000 0.903 857 K HN 0.499 nan 8.250 nan 0.000 0.485 858 T N 1.668 116.259 114.554 0.061 0.000 2.893 858 T HA 0.679 5.032 4.350 0.005 0.000 0.291 858 T C -0.517 174.279 174.700 0.159 0.000 1.028 858 T CA -0.924 61.188 62.100 0.020 0.000 0.995 858 T CB 0.712 69.554 68.868 -0.044 0.000 1.051 858 T HN 0.573 nan 8.240 nan 0.000 0.470 859 F N -0.643 119.301 119.950 -0.011 0.000 2.869 859 F HA 0.784 5.315 4.527 0.005 0.000 0.325 859 F C -0.922 174.881 175.800 0.006 0.000 1.184 859 F CA -1.430 56.577 58.000 0.011 0.000 0.951 859 F CB 1.304 40.330 39.000 0.043 0.000 1.421 859 F HN 0.597 nan 8.300 nan 0.000 0.501 860 Q N 0.744 120.659 119.800 0.192 0.000 2.351 860 Q HA 0.837 5.180 4.340 0.005 0.000 0.273 860 Q C -1.375 174.713 176.000 0.147 0.000 1.077 860 Q CA -1.496 54.337 55.803 0.050 0.000 0.843 860 Q CB 2.476 31.246 28.738 0.054 0.000 1.367 860 Q HN 0.972 nan 8.270 nan 0.000 0.449 861 A N 0.700 123.532 122.820 0.019 0.000 2.549 861 A HA 0.580 4.903 4.320 0.005 0.000 0.297 861 A C -1.157 176.406 177.584 -0.035 0.000 1.061 861 A CA -0.579 51.464 52.037 0.010 0.000 0.690 861 A CB 1.404 20.373 19.000 -0.051 0.000 1.287 861 A HN 0.403 nan 8.150 nan 0.000 0.402 862 V N 2.255 122.150 119.914 -0.032 0.000 2.530 862 V HA 0.311 4.434 4.120 0.005 0.000 0.282 862 V C 0.481 176.502 176.094 -0.121 0.000 1.048 862 V CA 0.073 62.340 62.300 -0.055 0.000 0.997 862 V CB 1.100 32.907 31.823 -0.027 0.000 0.987 862 V HN 0.892 nan 8.190 nan 0.000 0.477 863 M N 5.992 125.498 119.600 -0.157 0.000 2.094 863 M HA 0.352 4.836 4.480 0.005 0.000 0.348 863 M C 0.415 176.497 176.300 -0.364 0.000 1.267 863 M CA -0.363 54.766 55.300 -0.286 0.000 1.125 863 M CB 0.103 32.564 32.600 -0.231 0.000 1.527 863 M HN 0.451 nan 8.290 nan 0.000 0.447 864 R N 4.749 124.942 120.500 -0.513 0.000 4.609 864 R HA 0.158 4.501 4.340 0.005 0.000 0.235 864 R C -1.411 174.573 176.300 -0.526 0.000 1.836 864 R CA 0.057 55.897 56.100 -0.432 0.000 1.564 864 R CB -1.009 29.056 30.300 -0.392 0.000 1.382 864 R HN 0.492 nan 8.270 nan 0.000 0.776 865 F N 0.261 120.104 119.950 -0.178 0.000 2.375 865 F HA 0.169 4.700 4.527 0.005 0.000 0.362 865 F C 1.181 176.911 175.800 -0.116 0.000 1.129 865 F CA -0.807 57.104 58.000 -0.149 0.000 1.154 865 F CB 0.951 39.851 39.000 -0.167 0.000 1.205 865 F HN -0.041 nan 8.300 nan 0.000 0.513 866 D N 0.464 120.893 120.400 0.048 0.000 2.350 866 D HA 0.023 4.666 4.640 0.005 0.000 0.213 866 D C 0.938 177.232 176.300 -0.009 0.000 1.031 866 D CA 0.706 54.703 54.000 -0.005 0.000 0.861 866 D CB 0.383 41.166 40.800 -0.027 0.000 0.926 866 D HN 0.524 nan 8.370 nan 0.000 0.520 867 T N -3.226 111.323 114.554 -0.009 0.000 2.864 867 T HA 0.257 4.611 4.350 0.005 0.000 0.299 867 T C 0.484 175.131 174.700 -0.088 0.000 1.166 867 T CA -0.771 61.299 62.100 -0.050 0.000 1.007 867 T CB 2.337 71.168 68.868 -0.061 0.000 1.219 867 T HN -0.416 nan 8.240 nan 0.000 0.506 868 D N 0.684 121.019 120.400 -0.109 0.000 2.104 868 D HA -0.102 4.541 4.640 0.005 0.000 0.194 868 D C 2.295 178.445 176.300 -0.249 0.000 0.994 868 D CA 1.071 54.986 54.000 -0.143 0.000 0.830 868 D CB -0.428 40.298 40.800 -0.123 0.000 0.959 868 D HN 0.391 nan 8.370 nan 0.000 0.452 869 V N 1.170 120.894 119.914 -0.316 0.000 2.332 869 V HA -0.242 3.882 4.120 0.005 0.000 0.248 869 V C 2.290 177.867 176.094 -0.863 0.000 1.055 869 V CA 1.708 63.656 62.300 -0.587 0.000 1.038 869 V CB -0.503 31.015 31.823 -0.508 0.000 0.651 869 V HN 0.227 nan 8.190 nan 0.000 0.450 870 E N -0.024 119.889 120.200 -0.479 0.000 2.085 870 E HA -0.211 4.142 4.350 0.005 0.000 0.194 870 E C 2.252 178.674 176.600 -0.296 0.000 0.994 870 E CA 1.309 57.552 56.400 -0.262 0.000 0.801 870 E CB -0.221 29.504 29.700 0.042 0.000 0.743 870 E HN 0.507 nan 8.360 nan 0.000 0.453 871 L N 0.620 121.669 121.223 -0.290 0.000 2.083 871 L HA -0.167 4.176 4.340 0.005 0.000 0.209 871 L C 2.484 179.190 176.870 -0.274 0.000 1.083 871 L CA 1.172 55.818 54.840 -0.323 0.000 0.752 871 L CB -0.628 41.328 42.059 -0.172 0.000 0.899 871 L HN 0.200 nan 8.230 nan 0.000 0.433 872 T N -1.233 113.107 114.554 -0.355 0.000 2.788 872 T HA -0.179 4.174 4.350 0.005 0.000 0.268 872 T C 1.721 176.261 174.700 -0.268 0.000 1.044 872 T CA 1.170 63.053 62.100 -0.362 0.000 1.139 872 T CB -0.228 68.306 68.868 -0.556 0.000 0.867 872 T HN 0.181 nan 8.240 nan 0.000 0.454 873 Y N 0.526 120.658 120.300 -0.278 0.000 2.133 873 Y HA 0.039 4.592 4.550 0.006 0.000 0.287 873 Y C 2.122 177.939 175.900 -0.138 0.000 1.134 873 Y CA -0.369 57.618 58.100 -0.189 0.000 1.133 873 Y CB -1.373 37.013 38.460 -0.124 0.000 0.987 873 Y HN 0.224 nan 8.280 nan 0.000 0.502 874 F N 0.685 120.485 119.950 -0.251 0.000 2.091 874 F HA -0.246 4.285 4.527 0.006 0.000 0.299 874 F C 1.914 177.597 175.800 -0.195 0.000 1.103 874 F CA 1.578 59.356 58.000 -0.370 0.000 1.228 874 F CB -0.713 37.648 39.000 -1.065 0.000 0.984 874 F HN -0.047 nan 8.300 nan 0.000 0.477 875 L N 0.095 121.119 121.223 -0.333 0.000 2.191 875 L HA -0.212 4.131 4.340 0.005 0.000 0.212 875 L C 1.870 178.613 176.870 -0.212 0.000 1.103 875 L CA 1.142 55.780 54.840 -0.336 0.000 0.769 875 L CB -0.841 41.131 42.059 -0.145 0.000 0.908 875 L HN 0.259 nan 8.230 nan 0.000 0.438 876 N N 0.143 118.782 118.700 -0.101 0.000 2.412 876 N HA -0.011 4.732 4.740 0.005 0.000 0.184 876 N C 1.367 176.874 175.510 -0.006 0.000 1.101 876 N CA 0.901 53.958 53.050 0.012 0.000 0.881 876 N CB 0.637 39.225 38.487 0.168 0.000 0.969 876 N HN 0.452 nan 8.380 nan 0.000 0.459 877 G N 0.396 109.141 108.800 -0.092 0.000 2.159 877 G HA2 -0.175 3.789 3.960 0.005 0.000 0.256 877 G HA3 -0.175 3.789 3.960 0.005 0.000 0.256 877 G C 0.315 175.218 174.900 0.005 0.000 0.977 877 G CA 0.236 45.312 45.100 -0.041 0.000 0.652 877 G HN 0.739 nan 8.290 nan 0.000 0.531 878 G N -1.904 106.903 108.800 0.012 0.000 2.345 878 G HA2 0.403 4.366 3.960 0.005 0.000 0.310 878 G HA3 0.403 4.366 3.960 0.005 0.000 0.310 878 G C 0.493 175.370 174.900 -0.037 0.000 1.476 878 G CA -0.077 45.005 45.100 -0.030 0.000 0.978 878 G HN 1.021 nan 8.290 nan 0.000 0.656 879 I N 0.083 120.529 120.570 -0.207 0.000 2.315 879 I HA -0.001 4.172 4.170 0.005 0.000 0.248 879 I C 2.169 178.186 176.117 -0.166 0.000 1.117 879 I CA 1.105 62.129 61.300 -0.460 0.000 1.404 879 I CB -0.090 37.442 38.000 -0.780 0.000 1.071 879 I HN 0.474 nan 8.210 nan 0.000 0.419 880 L N 0.282 121.459 121.223 -0.078 0.000 2.341 880 L HA -0.055 4.288 4.340 0.005 0.000 0.214 880 L C 2.005 178.859 176.870 -0.027 0.000 1.115 880 L CA 0.349 55.181 54.840 -0.013 0.000 0.820 880 L CB -0.853 41.269 42.059 0.105 0.000 0.944 880 L HN 0.243 nan 8.230 nan 0.000 0.452 881 N N 0.265 119.016 118.700 0.085 0.000 2.069 881 N HA -0.255 4.488 4.740 0.005 0.000 0.191 881 N C 1.700 177.241 175.510 0.052 0.000 1.031 881 N CA 1.420 54.516 53.050 0.076 0.000 0.852 881 N CB -0.580 37.989 38.487 0.136 0.000 1.018 881 N HN 0.309 nan 8.380 nan 0.000 0.423 882 Y N 1.185 121.481 120.300 -0.006 0.000 2.128 882 Y HA -0.199 4.354 4.550 0.006 0.000 0.284 882 Y C 2.102 178.008 175.900 0.011 0.000 1.154 882 Y CA 1.607 59.727 58.100 0.034 0.000 1.149 882 Y CB -0.244 38.299 38.460 0.138 0.000 0.976 882 Y HN -0.067 nan 8.280 nan 0.000 0.505 883 M N 0.159 119.695 119.600 -0.107 0.000 2.108 883 M HA -0.225 4.258 4.480 0.005 0.000 0.261 883 M C 2.307 178.490 176.300 -0.195 0.000 1.066 883 M CA 1.591 56.782 55.300 -0.181 0.000 1.107 883 M CB -1.382 31.188 32.600 -0.049 0.000 1.356 883 M HN 0.411 nan 8.290 nan 0.000 0.406 884 I N -0.311 120.146 120.570 -0.188 0.000 2.163 884 I HA -0.342 3.831 4.170 0.005 0.000 0.243 884 I C 2.591 178.620 176.117 -0.147 0.000 1.085 884 I CA 1.365 62.553 61.300 -0.188 0.000 1.347 884 I CB -0.429 37.405 38.000 -0.276 0.000 1.044 884 I HN 0.319 nan 8.210 nan 0.000 0.408 885 R N 0.735 121.148 120.500 -0.145 0.000 2.091 885 R HA -0.209 4.134 4.340 0.005 0.000 0.238 885 R C 2.348 178.556 176.300 -0.153 0.000 1.136 885 R CA 1.373 57.403 56.100 -0.116 0.000 0.959 885 R CB -0.482 29.773 30.300 -0.074 0.000 0.856 885 R HN 0.356 nan 8.270 nan 0.000 0.437 886 K N 0.429 120.666 120.400 -0.272 0.000 2.097 886 K HA -0.122 4.201 4.320 0.005 0.000 0.206 886 K C 1.885 178.407 176.600 -0.129 0.000 1.049 886 K CA 1.205 57.347 56.287 -0.241 0.000 0.933 886 K CB 0.141 32.404 32.500 -0.396 0.000 0.717 886 K HN 0.056 nan 8.250 nan 0.000 0.442 887 M N 0.010 119.538 119.600 -0.120 0.000 2.349 887 M HA 0.027 4.510 4.480 0.005 0.000 0.266 887 M C 2.185 178.454 176.300 -0.053 0.000 1.076 887 M CA 0.958 56.215 55.300 -0.072 0.000 1.126 887 M CB -0.639 31.921 32.600 -0.066 0.000 1.392 887 M HN 0.216 nan 8.290 nan 0.000 0.440 888 A N 0.947 123.732 122.820 -0.058 0.000 1.975 888 A HA -0.048 4.275 4.320 0.005 0.000 0.215 888 A C 1.432 179.000 177.584 -0.027 0.000 1.170 888 A CA 0.522 52.538 52.037 -0.035 0.000 0.656 888 A CB -0.241 18.738 19.000 -0.034 0.000 0.821 888 A HN 0.492 nan 8.150 nan 0.000 0.449 889 K N 0.000 120.380 120.400 -0.033 0.000 2.780 889 K HA 0.000 4.323 4.320 0.005 0.000 0.191 889 K CA 0.000 56.273 56.287 -0.024 0.000 0.838 889 K CB 0.000 32.487 32.500 -0.021 0.000 1.064 889 K HN 0.000 nan 8.250 nan 0.000 0.543