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 2vwj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MILDTDYITE DGKPVIRIFK KENGEFKIDY DRNFEPYIYA LLKDDSAIED DATA SEQUENCE VKKITAERHG TTVRVVRAEK VKKKFLGRPI EVWKLYFTHP QDVPAIRDKI DATA SEQUENCE KEHPAVVDIY EYDIPFAKRY LIDKGLIPME GDEELKMLAF DIETLYHEGE DATA SEQUENCE KFAEGPILMI SYADEEGARV ITWRNIDLPY VDVVSTEKEM IKRFLKVVKE DATA SEQUENCE KDPDVLITYN GDNFAFAYLK KRSEKLGVKF ILGREGSEPK IQRMGDRFAV DATA SEQUENCE EVKGRIHFDL YPVIRRTINL PTYTLEAVYE AIFGQPKEKV YAEEIAQAWE DATA SEQUENCE TGEGLERVAR YSMEDAKVTY ELGKEFFPME AQLSRLVGQS LWDVSRSSTG DATA SEQUENCE NLVEWFLLRK AYERNELAPN KPDERELARR RESYAGGYVK EPERGLWENI DATA SEQUENCE VYLDFRSLYP SIIITHNVSP DTLNREGCEE YDVAPQVGHK FCKDFPGFIP DATA SEQUENCE SLLGDLLEER QKVKKKMKAT IDPIEKKLLD YRQRAIKILA NSFYGYYGYA DATA SEQUENCE KARWYCKECA ESVTAWGRQY IETTIREIEE KFGFKVLYAD TDGFFATIPG DATA SEQUENCE ADAETVKKKA KEFLDYINAK LPGLLELEYE GFYKRGFFVT KKKYAVIDEE DATA SEQUENCE DKITTRGLEI VRRDWSEIAK ETQARVLEAI LKHGDVEEAV RIVKEVTEKL DATA SEQUENCE SKYEVPPEKL VIYEQITRDL KDYKATGPHV AVAKRLAARG IKIRPGTVIS DATA SEQUENCE YIVLKGSGRI GDRAIPFDEF DPAKHKYDAE YYIENQVLPA VERILRAFGY DATA SEQUENCE RKEDLRY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.053 0.000 1.140 1 M CA 0.000 55.325 55.300 0.042 0.000 0.988 1 M CB 0.000 32.631 32.600 0.051 0.000 1.302 2 I N 2.710 123.306 120.570 0.045 0.000 2.598 2 I HA 0.053 4.218 4.170 -0.009 0.000 0.284 2 I C 0.502 176.670 176.117 0.086 0.000 1.140 2 I CA 0.004 61.339 61.300 0.059 0.000 1.420 2 I CB 0.659 38.682 38.000 0.039 0.000 1.387 2 I HN 0.689 nan 8.210 nan 0.000 0.553 3 L N 4.164 125.465 121.223 0.131 0.000 2.467 3 L HA 0.339 4.673 4.340 -0.009 0.000 0.213 3 L C 0.379 177.317 176.870 0.113 0.000 1.053 3 L CA 0.470 55.391 54.840 0.134 0.000 0.847 3 L CB 0.075 42.235 42.059 0.168 0.000 1.075 3 L HN 0.617 nan 8.230 nan 0.000 0.479 4 D N -1.085 119.406 120.400 0.152 0.000 2.671 4 D HA 0.352 4.986 4.640 -0.009 0.000 0.273 4 D C -1.331 175.104 176.300 0.225 0.000 1.264 4 D CA -0.025 54.043 54.000 0.112 0.000 0.788 4 D CB 2.215 42.990 40.800 -0.042 0.000 1.324 4 D HN -0.041 nan 8.370 nan 0.000 0.424 5 T N -1.039 113.600 114.554 0.142 0.000 2.909 5 T HA 0.772 5.117 4.350 -0.009 0.000 0.299 5 T C -1.120 173.645 174.700 0.107 0.000 1.073 5 T CA -0.779 61.400 62.100 0.132 0.000 0.999 5 T CB 2.415 71.293 68.868 0.017 0.000 1.098 5 T HN 0.432 nan 8.240 nan 0.000 0.477 6 D N 0.104 120.584 120.400 0.134 0.000 2.759 6 D HA 0.469 5.103 4.640 -0.009 0.000 0.321 6 D C -1.261 175.120 176.300 0.136 0.000 1.267 6 D CA -0.856 53.206 54.000 0.104 0.000 0.933 6 D CB 0.710 41.549 40.800 0.065 0.000 1.431 6 D HN 0.775 nan 8.370 nan 0.000 0.504 7 Y N -1.025 119.328 120.300 0.089 0.000 2.536 7 Y HA 0.763 5.306 4.550 -0.011 0.000 0.347 7 Y C -0.818 175.153 175.900 0.119 0.000 1.000 7 Y CA -1.413 56.761 58.100 0.123 0.000 1.051 7 Y CB 1.453 40.081 38.460 0.280 0.000 1.259 7 Y HN 0.507 nan 8.280 nan 0.000 0.468 8 I N 0.088 120.786 120.570 0.213 0.000 2.545 8 I HA 0.600 4.765 4.170 -0.009 0.000 0.292 8 I C -0.683 175.614 176.117 0.300 0.000 1.040 8 I CA -1.077 60.306 61.300 0.138 0.000 1.068 8 I CB 2.244 40.311 38.000 0.113 0.000 1.251 8 I HN 0.656 nan 8.210 nan 0.000 0.424 9 T N 4.230 118.963 114.554 0.298 0.000 2.870 9 T HA 0.330 4.674 4.350 -0.009 0.000 0.300 9 T C -0.232 174.569 174.700 0.169 0.000 0.989 9 T CA -0.242 62.044 62.100 0.309 0.000 1.139 9 T CB 0.226 69.261 68.868 0.278 0.000 0.920 9 T HN 0.858 nan 8.240 nan 0.000 0.537 10 E N 2.157 122.445 120.200 0.147 0.000 2.294 10 E HA 0.280 4.625 4.350 -0.009 0.000 0.272 10 E C -1.254 175.388 176.600 0.069 0.000 0.896 10 E CA -0.903 55.550 56.400 0.089 0.000 0.802 10 E CB 0.985 30.730 29.700 0.075 0.000 1.267 10 E HN 0.487 nan 8.360 nan 0.000 0.406 11 D N 3.155 123.582 120.400 0.045 0.000 2.800 11 D HA -0.204 4.431 4.640 -0.009 0.000 0.232 11 D C 0.941 177.262 176.300 0.034 0.000 1.137 11 D CA 1.774 55.794 54.000 0.033 0.000 0.718 11 D CB -1.458 39.360 40.800 0.031 0.000 1.084 11 D HN 1.180 nan 8.370 nan 0.000 0.432 12 G N -0.611 108.206 108.800 0.029 0.000 2.212 12 G HA2 -0.391 3.564 3.960 -0.009 0.000 0.266 12 G HA3 -0.391 3.564 3.960 -0.009 0.000 0.266 12 G C 0.335 175.281 174.900 0.077 0.000 0.978 12 G CA 0.980 46.084 45.100 0.007 0.000 0.632 12 G HN 0.489 nan 8.290 nan 0.000 0.537 13 K N 1.911 122.383 120.400 0.121 0.000 2.156 13 K HA 0.495 4.809 4.320 -0.009 0.000 0.271 13 K C -2.298 174.430 176.600 0.213 0.000 0.995 13 K CA -1.951 54.429 56.287 0.156 0.000 0.890 13 K CB 2.056 34.621 32.500 0.107 0.000 1.073 13 K HN 0.075 nan 8.250 nan 0.000 0.454 14 P HA 0.066 nan 4.420 nan 0.000 0.275 14 P C -0.860 176.562 177.300 0.203 0.000 1.227 14 P CA -0.329 62.835 63.100 0.106 0.000 0.781 14 P CB 0.928 32.395 31.700 -0.388 0.000 0.906 15 V N 4.001 124.093 119.914 0.297 0.000 2.623 15 V HA 0.286 4.401 4.120 -0.009 0.000 0.304 15 V C 0.316 176.555 176.094 0.242 0.000 1.054 15 V CA -0.804 61.651 62.300 0.258 0.000 0.882 15 V CB 2.025 33.987 31.823 0.230 0.000 1.002 15 V HN 0.413 nan 8.190 nan 0.000 0.424 16 I N 4.426 125.053 120.570 0.095 0.000 2.416 16 I HA 0.397 4.562 4.170 -0.009 0.000 0.288 16 I C 0.556 176.510 176.117 -0.272 0.000 1.051 16 I CA 0.044 61.249 61.300 -0.159 0.000 1.375 16 I CB 1.088 38.701 38.000 -0.645 0.000 1.407 16 I HN 0.607 nan 8.210 nan 0.000 0.516 17 R N 6.404 126.712 120.500 -0.320 0.000 2.346 17 R HA 0.604 4.939 4.340 -0.009 0.000 0.311 17 R C -0.934 175.008 176.300 -0.598 0.000 0.983 17 R CA -0.811 54.902 56.100 -0.645 0.000 0.880 17 R CB 1.614 31.464 30.300 -0.750 0.000 1.100 17 R HN 0.384 nan 8.270 nan 0.000 0.453 18 I N 3.735 123.918 120.570 -0.645 0.000 2.355 18 I HA 0.245 4.409 4.170 -0.009 0.000 0.288 18 I C -0.635 175.216 176.117 -0.442 0.000 0.999 18 I CA -0.261 60.820 61.300 -0.365 0.000 1.163 18 I CB 0.849 38.725 38.000 -0.208 0.000 1.316 18 I HN 0.388 nan 8.210 nan 0.000 0.454 19 F N 6.100 125.985 119.950 -0.109 0.000 2.424 19 F HA 0.502 5.027 4.527 -0.003 0.000 0.356 19 F C 0.626 176.417 175.800 -0.015 0.000 1.110 19 F CA -0.349 57.627 58.000 -0.040 0.000 1.161 19 F CB 0.587 39.659 39.000 0.121 0.000 1.115 19 F HN 0.306 nan 8.300 nan 0.000 0.507 20 K N 1.946 122.369 120.400 0.038 0.000 2.352 20 K HA 0.667 4.981 4.320 -0.009 0.000 0.240 20 K C -1.161 175.492 176.600 0.088 0.000 1.017 20 K CA -1.504 54.803 56.287 0.033 0.000 0.851 20 K CB 2.272 34.736 32.500 -0.060 0.000 1.261 20 K HN 0.244 nan 8.250 nan 0.000 0.451 21 K N 1.724 122.184 120.400 0.100 0.000 2.613 21 K HA 0.212 4.527 4.320 -0.009 0.000 0.248 21 K C -1.714 174.921 176.600 0.058 0.000 0.959 21 K CA -0.135 56.221 56.287 0.116 0.000 0.855 21 K CB 1.244 33.837 32.500 0.155 0.000 1.143 21 K HN 0.515 nan 8.250 nan 0.000 0.437 22 E N 3.371 123.590 120.200 0.031 0.000 2.218 22 E HA 0.331 4.676 4.350 -0.009 0.000 0.263 22 E C -0.905 175.708 176.600 0.022 0.000 0.879 22 E CA -0.911 55.500 56.400 0.019 0.000 0.762 22 E CB 1.139 30.838 29.700 -0.002 0.000 1.166 22 E HN 0.597 nan 8.360 nan 0.000 0.415 23 N N 2.390 121.104 118.700 0.025 0.000 2.642 23 N HA -0.223 4.512 4.740 -0.009 0.000 0.269 23 N C 0.684 176.212 175.510 0.030 0.000 1.073 23 N CA 1.218 54.282 53.050 0.024 0.000 0.748 23 N CB -0.942 37.555 38.487 0.017 0.000 0.894 23 N HN 1.081 nan 8.380 nan 0.000 0.548 24 G N -0.552 108.271 108.800 0.039 0.000 2.216 24 G HA2 -0.344 3.611 3.960 -0.009 0.000 0.269 24 G HA3 -0.344 3.611 3.960 -0.009 0.000 0.269 24 G C -0.225 174.711 174.900 0.060 0.000 0.981 24 G CA 1.017 46.144 45.100 0.045 0.000 0.658 24 G HN 0.549 nan 8.290 nan 0.000 0.539 25 E N -0.492 119.745 120.200 0.062 0.000 2.155 25 E HA 0.501 4.846 4.350 -0.009 0.000 0.264 25 E C -0.264 176.397 176.600 0.103 0.000 0.886 25 E CA -1.315 55.130 56.400 0.074 0.000 0.752 25 E CB 1.034 30.755 29.700 0.035 0.000 1.133 25 E HN 0.197 nan 8.360 nan 0.000 0.414 26 F N 3.766 123.729 119.950 0.022 0.000 2.529 26 F HA 0.232 4.755 4.527 -0.006 0.000 0.365 26 F C 0.247 176.065 175.800 0.030 0.000 1.102 26 F CA -0.003 58.017 58.000 0.033 0.000 1.271 26 F CB 0.430 39.454 39.000 0.039 0.000 1.120 26 F HN 0.340 nan 8.300 nan 0.000 0.579 27 K N 5.893 125.673 120.400 -1.034 0.000 2.568 27 K HA 0.626 4.940 4.320 -0.009 0.000 0.273 27 K C -2.091 173.969 176.600 -0.901 0.000 0.951 27 K CA -0.861 54.899 56.287 -0.877 0.000 0.854 27 K CB 1.532 33.816 32.500 -0.359 0.000 1.424 27 K HN 0.589 nan 8.250 nan 0.000 0.427 28 I N 2.391 122.561 120.570 -0.666 0.000 2.382 28 I HA 0.267 4.431 4.170 -0.009 0.000 0.285 28 I C -0.823 174.937 176.117 -0.595 0.000 1.007 28 I CA -0.886 59.993 61.300 -0.702 0.000 1.142 28 I CB 1.493 39.103 38.000 -0.649 0.000 1.289 28 I HN 0.585 nan 8.210 nan 0.000 0.453 29 D N 5.167 125.224 120.400 -0.570 0.000 2.294 29 D HA 0.421 5.056 4.640 -0.009 0.000 0.250 29 D C -0.938 175.016 176.300 -0.576 0.000 1.058 29 D CA 0.135 53.916 54.000 -0.366 0.000 0.950 29 D CB 1.526 42.208 40.800 -0.197 0.000 1.158 29 D HN 0.208 nan 8.370 nan 0.000 0.453 30 Y N -0.110 120.102 120.300 -0.146 0.000 2.485 30 Y HA 0.362 4.916 4.550 0.006 0.000 0.345 30 Y C -0.080 175.772 175.900 -0.081 0.000 0.998 30 Y CA -0.845 57.179 58.100 -0.126 0.000 1.059 30 Y CB 1.910 40.318 38.460 -0.086 0.000 1.234 30 Y HN 0.078 nan 8.280 nan 0.000 0.461 31 D N 1.230 121.666 120.400 0.059 0.000 2.855 31 D HA 0.327 4.961 4.640 -0.009 0.000 0.241 31 D C -0.302 176.082 176.300 0.140 0.000 1.277 31 D CA -0.578 53.470 54.000 0.080 0.000 0.918 31 D CB 1.270 42.080 40.800 0.015 0.000 1.462 31 D HN 0.728 nan 8.370 nan 0.000 0.559 32 R N 2.144 122.742 120.500 0.163 0.000 2.432 32 R HA 0.259 4.593 4.340 -0.009 0.000 0.260 32 R C 0.428 176.844 176.300 0.193 0.000 0.935 32 R CA -0.266 55.934 56.100 0.167 0.000 1.080 32 R CB 0.554 30.926 30.300 0.120 0.000 1.155 32 R HN 0.146 nan 8.270 nan 0.000 0.531 33 N N 0.431 119.275 118.700 0.240 0.000 2.205 33 N HA 0.019 4.754 4.740 -0.009 0.000 0.201 33 N C -0.680 175.040 175.510 0.349 0.000 1.128 33 N CA 0.043 53.242 53.050 0.248 0.000 0.867 33 N CB 0.431 39.045 38.487 0.212 0.000 0.996 33 N HN 0.031 nan 8.380 nan 0.000 0.503 34 F N 2.599 122.704 119.950 0.259 0.000 2.413 34 F HA 0.195 4.715 4.527 -0.012 0.000 0.359 34 F C 0.395 176.451 175.800 0.426 0.000 1.122 34 F CA -0.874 57.329 58.000 0.338 0.000 1.160 34 F CB 0.341 39.550 39.000 0.349 0.000 1.146 34 F HN -0.174 nan 8.300 nan 0.000 0.514 35 E N 7.728 127.912 120.200 -0.025 0.000 2.229 35 E HA 0.227 4.571 4.350 -0.009 0.000 0.283 35 E C -2.150 174.459 176.600 0.016 0.000 1.030 35 E CA -1.919 54.538 56.400 0.096 0.000 0.836 35 E CB 0.581 30.471 29.700 0.316 0.000 1.068 35 E HN 0.349 nan 8.360 nan 0.000 0.401 36 P HA 0.003 nan 4.420 nan 0.000 0.269 36 P C -1.258 176.076 177.300 0.056 0.000 1.215 36 P CA 0.125 63.225 63.100 -0.001 0.000 0.780 36 P CB 0.314 31.899 31.700 -0.191 0.000 0.898 37 Y N 0.032 120.331 120.300 -0.002 0.000 2.641 37 Y HA 0.678 5.222 4.550 -0.010 0.000 0.333 37 Y C -0.896 174.984 175.900 -0.033 0.000 1.174 37 Y CA -1.535 56.498 58.100 -0.111 0.000 1.057 37 Y CB 0.391 38.457 38.460 -0.656 0.000 1.322 37 Y HN 0.491 nan 8.280 nan 0.000 0.457 38 I N -0.923 119.807 120.570 0.266 0.000 3.294 38 I HA 0.795 4.960 4.170 -0.009 0.000 0.311 38 I C -1.910 174.214 176.117 0.012 0.000 1.111 38 I CA -1.558 59.868 61.300 0.209 0.000 0.976 38 I CB 2.732 40.928 38.000 0.327 0.000 1.260 38 I HN 0.613 nan 8.210 nan 0.000 0.474 39 Y N 1.385 121.905 120.300 0.367 0.000 2.364 39 Y HA 0.787 5.332 4.550 -0.008 0.000 0.340 39 Y C 0.075 176.180 175.900 0.342 0.000 0.975 39 Y CA -0.662 57.631 58.100 0.322 0.000 1.089 39 Y CB 2.105 40.751 38.460 0.310 0.000 1.192 39 Y HN 0.762 nan 8.280 nan 0.000 0.454 40 A N 3.433 126.524 122.820 0.452 0.000 2.355 40 A HA 0.728 5.042 4.320 -0.009 0.000 0.317 40 A C -1.821 175.979 177.584 0.359 0.000 1.094 40 A CA -0.709 51.532 52.037 0.340 0.000 0.764 40 A CB 1.105 20.235 19.000 0.216 0.000 1.230 40 A HN 0.708 nan 8.150 nan 0.000 0.448 41 L N 3.148 124.549 121.223 0.296 0.000 2.272 41 L HA 0.650 4.985 4.340 -0.009 0.000 0.289 41 L C -1.038 175.935 176.870 0.171 0.000 1.032 41 L CA -0.118 54.867 54.840 0.243 0.000 0.810 41 L CB 0.697 42.900 42.059 0.240 0.000 1.205 41 L HN 0.620 nan 8.230 nan 0.000 0.422 42 L N 5.189 126.532 121.223 0.200 0.000 2.325 42 L HA 0.468 4.803 4.340 -0.009 0.000 0.278 42 L C 1.092 178.024 176.870 0.104 0.000 1.023 42 L CA -0.794 54.123 54.840 0.127 0.000 0.811 42 L CB 1.630 43.768 42.059 0.131 0.000 1.249 42 L HN 0.660 nan 8.230 nan 0.000 0.431 43 K N 0.447 120.887 120.400 0.066 0.000 2.002 43 K HA -0.126 4.188 4.320 -0.009 0.000 0.209 43 K C -0.079 176.559 176.600 0.064 0.000 1.048 43 K CA 1.534 57.855 56.287 0.057 0.000 0.930 43 K CB 0.080 32.607 32.500 0.046 0.000 0.714 43 K HN 0.538 nan 8.250 nan 0.000 0.438 44 D N -1.206 119.231 120.400 0.061 0.000 2.646 44 D HA 0.078 4.713 4.640 -0.009 0.000 0.245 44 D C -0.718 175.636 176.300 0.089 0.000 1.099 44 D CA -0.412 53.630 54.000 0.070 0.000 0.849 44 D CB 1.790 42.618 40.800 0.046 0.000 1.448 44 D HN -0.114 nan 8.370 nan 0.000 0.489 45 D N 0.561 121.056 120.400 0.158 0.000 2.411 45 D HA -0.117 4.518 4.640 -0.009 0.000 0.226 45 D C 1.497 177.867 176.300 0.116 0.000 0.988 45 D CA 1.299 55.464 54.000 0.274 0.000 0.938 45 D CB 0.397 41.376 40.800 0.298 0.000 0.883 45 D HN 0.283 nan 8.370 nan 0.000 0.525 46 S N -0.926 114.792 115.700 0.029 0.000 2.412 46 S HA 0.097 4.562 4.470 -0.009 0.000 0.223 46 S C 2.075 176.622 174.600 -0.088 0.000 1.048 46 S CA 0.353 58.542 58.200 -0.018 0.000 0.954 46 S CB -0.181 63.022 63.200 0.005 0.000 0.840 46 S HN 0.118 nan 8.310 nan 0.000 0.503 47 A N 1.336 124.105 122.820 -0.085 0.000 2.292 47 A HA 0.100 4.415 4.320 -0.009 0.000 0.209 47 A C 1.820 179.269 177.584 -0.225 0.000 1.209 47 A CA 0.886 52.861 52.037 -0.102 0.000 0.746 47 A CB -1.082 17.891 19.000 -0.045 0.000 0.764 47 A HN 0.584 nan 8.150 nan 0.000 0.492 48 I N -0.090 120.268 120.570 -0.352 0.000 2.248 48 I HA -0.219 3.945 4.170 -0.009 0.000 0.248 48 I C 1.876 177.774 176.117 -0.366 0.000 1.107 48 I CA 1.853 62.811 61.300 -0.571 0.000 1.373 48 I CB -0.138 37.280 38.000 -0.971 0.000 1.055 48 I HN 0.295 nan 8.210 nan 0.000 0.418 49 E N 0.055 120.117 120.200 -0.229 0.000 2.152 49 E HA -0.197 4.147 4.350 -0.009 0.000 0.192 49 E C 1.941 178.482 176.600 -0.098 0.000 0.983 49 E CA 1.044 57.358 56.400 -0.143 0.000 0.818 49 E CB -0.590 29.055 29.700 -0.092 0.000 0.758 49 E HN 0.569 nan 8.360 nan 0.000 0.467 50 D N 0.131 120.486 120.400 -0.075 0.000 2.144 50 D HA -0.090 4.545 4.640 -0.009 0.000 0.200 50 D C 1.862 178.154 176.300 -0.012 0.000 0.978 50 D CA 0.628 54.633 54.000 0.010 0.000 0.833 50 D CB 0.511 41.384 40.800 0.122 0.000 0.961 50 D HN -0.001 nan 8.370 nan 0.000 0.470 51 V N 0.824 120.643 119.914 -0.158 0.000 2.302 51 V HA -0.119 3.995 4.120 -0.009 0.000 0.243 51 V C 2.251 178.263 176.094 -0.135 0.000 1.036 51 V CA 0.952 63.129 62.300 -0.206 0.000 1.020 51 V CB -0.402 31.207 31.823 -0.358 0.000 0.657 51 V HN 0.076 nan 8.190 nan 0.000 0.453 52 K N 0.906 121.204 120.400 -0.171 0.000 2.703 52 K HA -0.123 4.191 4.320 -0.009 0.000 0.197 52 K C 1.101 177.654 176.600 -0.077 0.000 1.016 52 K CA 1.309 57.516 56.287 -0.134 0.000 0.981 52 K CB -0.316 32.090 32.500 -0.157 0.000 0.805 52 K HN 0.516 nan 8.250 nan 0.000 0.490 53 K N 0.228 120.597 120.400 -0.051 0.000 2.586 53 K HA 0.203 4.517 4.320 -0.009 0.000 0.198 53 K C 0.016 176.621 176.600 0.009 0.000 1.170 53 K CA -0.245 56.031 56.287 -0.019 0.000 1.069 53 K CB -0.252 32.237 32.500 -0.018 0.000 0.944 53 K HN 0.090 nan 8.250 nan 0.000 0.572 54 I N 1.415 121.996 120.570 0.019 0.000 2.882 54 I HA 0.391 4.556 4.170 -0.009 0.000 0.286 54 I C 0.101 176.251 176.117 0.056 0.000 1.139 54 I CA -0.158 61.172 61.300 0.050 0.000 1.379 54 I CB 1.791 39.833 38.000 0.070 0.000 1.410 54 I HN 0.143 nan 8.210 nan 0.000 0.594 55 T N 3.152 117.739 114.554 0.056 0.000 3.097 55 T HA 0.648 4.992 4.350 -0.009 0.000 0.332 55 T C -1.076 173.649 174.700 0.043 0.000 1.269 55 T CA -0.608 61.525 62.100 0.054 0.000 1.076 55 T CB 1.836 70.727 68.868 0.038 0.000 1.209 55 T HN 0.771 nan 8.240 nan 0.000 0.474 56 A N 1.301 124.146 122.820 0.041 0.000 2.515 56 A HA 0.955 5.270 4.320 -0.009 0.000 0.296 56 A C -0.652 176.942 177.584 0.017 0.000 1.094 56 A CA -0.644 51.406 52.037 0.022 0.000 0.718 56 A CB 1.260 20.269 19.000 0.014 0.000 1.307 56 A HN 1.042 nan 8.150 nan 0.000 0.408 57 E N -0.561 119.643 120.200 0.008 0.000 2.145 57 E HA 0.729 5.074 4.350 -0.009 0.000 0.270 57 E C -0.315 176.283 176.600 -0.002 0.000 0.906 57 E CA -0.205 56.197 56.400 0.004 0.000 0.761 57 E CB 1.218 30.920 29.700 0.003 0.000 1.116 57 E HN 1.975 nan 8.360 nan 0.000 0.408 58 R N -0.663 119.834 120.500 -0.006 0.000 2.604 58 R HA 0.756 5.091 4.340 -0.009 0.000 0.281 58 R C 0.634 176.926 176.300 -0.014 0.000 1.020 58 R CA 0.628 56.722 56.100 -0.010 0.000 0.899 58 R CB -0.427 29.865 30.300 -0.012 0.000 1.205 58 R HN 2.491 nan 8.270 nan 0.000 0.450 59 H N -0.434 118.628 119.070 -0.012 0.000 2.604 59 H HA 0.118 4.669 4.556 -0.009 0.000 0.321 59 H C 2.042 177.361 175.328 -0.015 0.000 1.132 59 H CA 2.043 58.082 56.048 -0.014 0.000 1.129 59 H CB -1.663 28.086 29.762 -0.022 0.000 1.526 59 H HN 2.916 nan 8.280 nan 0.000 0.415 60 G N -1.656 107.138 108.800 -0.009 0.000 3.078 60 G HA2 -0.121 3.834 3.960 -0.009 0.000 0.227 60 G HA3 -0.121 3.834 3.960 -0.009 0.000 0.227 60 G C 1.460 176.356 174.900 -0.006 0.000 1.306 60 G CA 1.712 46.808 45.100 -0.007 0.000 0.841 60 G HN 2.318 nan 8.290 nan 0.000 0.530 61 T N 2.498 117.046 114.554 -0.010 0.000 2.901 61 T HA 0.510 4.855 4.350 -0.009 0.000 0.301 61 T C 0.976 175.676 174.700 -0.000 0.000 1.012 61 T CA 1.028 63.124 62.100 -0.007 0.000 1.135 61 T CB 0.380 69.239 68.868 -0.014 0.000 0.936 61 T HN 1.111 nan 8.240 nan 0.000 0.539 62 T N 2.199 116.757 114.554 0.008 0.000 2.889 62 T HA 0.582 4.926 4.350 -0.009 0.000 0.291 62 T C -0.241 174.477 174.700 0.029 0.000 0.995 62 T CA -0.879 61.231 62.100 0.016 0.000 1.092 62 T CB 1.126 70.004 68.868 0.017 0.000 0.954 62 T HN 0.400 nan 8.240 nan 0.000 0.506 63 V N 1.847 121.786 119.914 0.042 0.000 2.409 63 V HA 0.811 4.925 4.120 -0.009 0.000 0.291 63 V C 0.710 176.868 176.094 0.106 0.000 1.020 63 V CA -0.929 61.416 62.300 0.075 0.000 0.848 63 V CB 0.668 32.531 31.823 0.067 0.000 0.990 63 V HN 1.282 nan 8.190 nan 0.000 0.430 64 R N 2.657 123.229 120.500 0.120 0.000 2.782 64 R HA 0.823 5.158 4.340 -0.009 0.000 0.258 64 R C -0.423 175.955 176.300 0.131 0.000 1.055 64 R CA -0.561 55.601 56.100 0.102 0.000 1.065 64 R CB 1.157 31.487 30.300 0.051 0.000 1.172 64 R HN 0.569 nan 8.270 nan 0.000 0.510 65 V N 2.886 122.814 119.914 0.024 0.000 2.153 65 V HA 0.060 4.174 4.120 -0.009 0.000 0.250 65 V C 1.605 177.610 176.094 -0.150 0.000 1.334 65 V CA -0.206 61.996 62.300 -0.164 0.000 1.249 65 V CB -0.001 31.724 31.823 -0.165 0.000 1.371 65 V HN 0.711 nan 8.190 nan 0.000 0.498 66 V N 2.891 122.744 119.914 -0.101 0.000 2.680 66 V HA -0.218 3.896 4.120 -0.009 0.000 0.267 66 V C 1.117 177.163 176.094 -0.079 0.000 1.137 66 V CA 2.102 64.372 62.300 -0.051 0.000 1.143 66 V CB -0.996 30.831 31.823 0.007 0.000 0.711 66 V HN 0.901 nan 8.190 nan 0.000 0.490 67 R N -2.035 118.400 120.500 -0.108 0.000 3.197 67 R HA 0.531 4.865 4.340 -0.009 0.000 0.261 67 R C -1.513 174.774 176.300 -0.021 0.000 1.015 67 R CA 0.208 56.251 56.100 -0.095 0.000 0.949 67 R CB 0.909 31.085 30.300 -0.207 0.000 1.256 67 R HN 0.128 nan 8.270 nan 0.000 0.514 68 A N 2.118 124.952 122.820 0.024 0.000 2.354 68 A HA 0.780 5.095 4.320 -0.009 0.000 0.321 68 A C -1.233 176.514 177.584 0.271 0.000 1.125 68 A CA -0.461 51.678 52.037 0.170 0.000 0.799 68 A CB 1.965 21.019 19.000 0.091 0.000 1.293 68 A HN 0.700 nan 8.150 nan 0.000 0.452 69 E N 0.667 121.126 120.200 0.430 0.000 2.397 69 E HA 0.232 4.576 4.350 -0.009 0.000 0.293 69 E C -1.544 175.065 176.600 0.016 0.000 0.930 69 E CA -0.511 56.037 56.400 0.248 0.000 0.793 69 E CB 1.361 31.150 29.700 0.148 0.000 1.259 69 E HN 0.579 nan 8.360 nan 0.000 0.406 70 K N 3.789 123.878 120.400 -0.519 0.000 2.248 70 K HA 0.398 4.712 4.320 -0.009 0.000 0.281 70 K C -1.336 174.959 176.600 -0.508 0.000 1.054 70 K CA -0.357 55.245 56.287 -1.142 0.000 0.903 70 K CB 1.436 32.858 32.500 -1.797 0.000 1.077 70 K HN 0.297 nan 8.250 nan 0.000 0.474 71 V N 2.581 122.271 119.914 -0.373 0.000 2.876 71 V HA 0.632 4.746 4.120 -0.009 0.000 0.312 71 V C -1.024 174.944 176.094 -0.210 0.000 1.085 71 V CA -0.563 61.613 62.300 -0.206 0.000 0.945 71 V CB 1.825 33.601 31.823 -0.078 0.000 1.017 71 V HN 0.822 nan 8.190 nan 0.000 0.428 72 K N 4.490 124.786 120.400 -0.173 0.000 2.213 72 K HA 0.823 5.138 4.320 -0.009 0.000 0.270 72 K C -0.536 175.969 176.600 -0.158 0.000 1.002 72 K CA -0.554 55.637 56.287 -0.161 0.000 0.868 72 K CB 1.272 33.692 32.500 -0.133 0.000 1.093 72 K HN 0.834 nan 8.250 nan 0.000 0.454 73 K N 0.653 120.951 120.400 -0.170 0.000 2.197 73 K HA 0.597 4.911 4.320 -0.009 0.000 0.247 73 K C -0.995 175.520 176.600 -0.141 0.000 1.077 73 K CA -1.098 55.081 56.287 -0.180 0.000 0.882 73 K CB 1.590 33.938 32.500 -0.253 0.000 1.396 73 K HN 0.400 nan 8.250 nan 0.000 0.482 74 K N 0.786 121.103 120.400 -0.138 0.000 2.221 74 K HA 0.389 4.703 4.320 -0.009 0.000 0.258 74 K C -1.514 175.048 176.600 -0.064 0.000 0.944 74 K CA -0.431 55.795 56.287 -0.102 0.000 0.823 74 K CB 0.988 33.410 32.500 -0.129 0.000 1.113 74 K HN 0.347 nan 8.250 nan 0.000 0.431 75 F N 4.659 124.500 119.950 -0.181 0.000 2.403 75 F HA 0.308 4.829 4.527 -0.009 0.000 0.355 75 F C -0.508 175.239 175.800 -0.088 0.000 1.119 75 F CA -0.998 56.896 58.000 -0.177 0.000 1.007 75 F CB 0.548 39.419 39.000 -0.216 0.000 1.194 75 F HN 0.398 nan 8.300 nan 0.000 0.443 76 L N 6.142 127.081 121.223 -0.472 0.000 3.660 76 L HA -0.178 4.156 4.340 -0.009 0.000 0.440 76 L C 1.192 178.025 176.870 -0.061 0.000 1.262 76 L CA 1.317 56.011 54.840 -0.244 0.000 0.837 76 L CB -1.763 40.149 42.059 -0.245 0.000 1.689 76 L HN 1.108 nan 8.230 nan 0.000 0.890 77 G N -2.576 106.170 108.800 -0.090 0.000 2.498 77 G HA2 -0.353 3.601 3.960 -0.009 0.000 0.229 77 G HA3 -0.353 3.601 3.960 -0.009 0.000 0.229 77 G C 0.513 175.359 174.900 -0.089 0.000 1.156 77 G CA 0.227 45.281 45.100 -0.078 0.000 0.680 77 G HN 0.513 nan 8.290 nan 0.000 0.512 78 R N 1.731 122.214 120.500 -0.028 0.000 2.491 78 R HA 0.507 4.841 4.340 -0.009 0.000 0.283 78 R C -2.092 174.199 176.300 -0.016 0.000 1.072 78 R CA -0.487 55.606 56.100 -0.010 0.000 1.048 78 R CB 0.235 30.563 30.300 0.048 0.000 0.983 78 R HN 0.486 nan 8.270 nan 0.000 0.450 79 P HA 0.320 nan 4.420 nan 0.000 0.271 79 P C -0.347 176.928 177.300 -0.041 0.000 1.218 79 P CA -0.091 62.977 63.100 -0.053 0.000 0.780 79 P CB 0.487 32.151 31.700 -0.061 0.000 0.901 80 I N 0.786 121.315 120.570 -0.069 0.000 2.802 80 I HA 0.294 4.459 4.170 -0.009 0.000 0.298 80 I C -0.876 175.167 176.117 -0.124 0.000 1.176 80 I CA -0.861 60.385 61.300 -0.090 0.000 1.025 80 I CB 2.270 40.203 38.000 -0.112 0.000 1.243 80 I HN 0.224 nan 8.210 nan 0.000 0.424 81 E N 5.840 125.970 120.200 -0.117 0.000 2.155 81 E HA 0.534 4.879 4.350 -0.009 0.000 0.264 81 E C -1.286 175.232 176.600 -0.137 0.000 0.886 81 E CA -0.559 55.752 56.400 -0.147 0.000 0.752 81 E CB 2.285 31.906 29.700 -0.132 0.000 1.133 81 E HN 0.411 nan 8.360 nan 0.000 0.414 82 V N -0.382 119.427 119.914 -0.174 0.000 3.141 82 V HA 0.596 4.711 4.120 -0.009 0.000 0.312 82 V C -1.310 174.710 176.094 -0.124 0.000 1.157 82 V CA -1.255 61.012 62.300 -0.054 0.000 1.041 82 V CB 1.455 33.299 31.823 0.034 0.000 1.071 82 V HN 0.589 nan 8.190 nan 0.000 0.441 83 W N 1.048 122.431 121.300 0.138 0.000 2.329 83 W HA 0.578 5.232 4.660 -0.010 0.000 0.312 83 W C 0.351 176.974 176.519 0.173 0.000 1.054 83 W CA -0.308 57.111 57.345 0.123 0.000 1.245 83 W CB 1.458 30.957 29.460 0.064 0.000 1.255 83 W HN 0.601 nan 8.180 nan 0.000 0.436 84 K N 5.151 125.737 120.400 0.311 0.000 2.292 84 K HA 0.278 4.592 4.320 -0.009 0.000 0.290 84 K C -0.635 176.018 176.600 0.088 0.000 1.083 84 K CA -0.231 56.089 56.287 0.054 0.000 0.918 84 K CB 0.123 32.574 32.500 -0.083 0.000 1.089 84 K HN 0.516 nan 8.250 nan 0.000 0.473 85 L N 6.076 127.309 121.223 0.017 0.000 2.255 85 L HA 0.264 4.599 4.340 -0.009 0.000 0.289 85 L C -0.253 176.463 176.870 -0.256 0.000 1.046 85 L CA -0.894 53.915 54.840 -0.052 0.000 0.816 85 L CB 0.007 42.031 42.059 -0.057 0.000 1.197 85 L HN 0.528 nan 8.230 nan 0.000 0.427 86 Y N 3.122 123.213 120.300 -0.349 0.000 2.281 86 Y HA 0.459 5.003 4.550 -0.010 0.000 0.337 86 Y C 0.161 175.624 175.900 -0.729 0.000 1.304 86 Y CA 0.300 58.221 58.100 -0.298 0.000 1.465 86 Y CB 0.752 39.128 38.460 -0.141 0.000 1.350 86 Y HN 0.285 nan 8.280 nan 0.000 0.575 87 F N -2.270 117.787 119.950 0.178 0.000 2.869 87 F HA 0.301 4.822 4.527 -0.010 0.000 0.325 87 F C 0.785 176.615 175.800 0.050 0.000 1.184 87 F CA -0.725 57.320 58.000 0.074 0.000 0.951 87 F CB 1.297 40.300 39.000 0.005 0.000 1.421 87 F HN 0.258 nan 8.300 nan 0.000 0.501 88 T N -2.092 112.620 114.554 0.264 0.000 3.044 88 T HA 0.019 4.364 4.350 -0.009 0.000 0.237 88 T C -0.484 174.256 174.700 0.067 0.000 1.001 88 T CA 0.804 62.989 62.100 0.141 0.000 1.160 88 T CB -0.078 68.865 68.868 0.125 0.000 0.889 88 T HN 0.356 nan 8.240 nan 0.000 0.442 89 H N 1.084 120.112 119.070 -0.069 0.000 2.609 89 H HA 0.264 4.814 4.556 -0.011 0.000 0.344 89 H C -2.196 172.932 175.328 -0.335 0.000 1.040 89 H CA -2.207 53.709 56.048 -0.220 0.000 1.216 89 H CB 2.422 32.114 29.762 -0.118 0.000 1.529 89 H HN -0.116 nan 8.280 nan 0.000 0.519 90 P HA -0.292 nan 4.420 nan 0.000 0.225 90 P C 1.468 178.582 177.300 -0.309 0.000 1.154 90 P CA 1.504 64.126 63.100 -0.796 0.000 0.933 90 P CB 0.327 31.248 31.700 -1.297 0.000 0.790 91 Q N -1.120 118.672 119.800 -0.013 0.000 2.368 91 Q HA -0.176 4.159 4.340 -0.009 0.000 0.210 91 Q C 1.608 177.609 176.000 0.002 0.000 0.982 91 Q CA 1.178 57.065 55.803 0.139 0.000 0.884 91 Q CB -0.814 28.116 28.738 0.320 0.000 0.933 91 Q HN 0.381 nan 8.270 nan 0.000 0.460 92 D N -0.184 120.172 120.400 -0.072 0.000 2.123 92 D HA -0.128 4.507 4.640 -0.009 0.000 0.196 92 D C 1.992 178.070 176.300 -0.369 0.000 0.992 92 D CA 0.764 54.642 54.000 -0.205 0.000 0.833 92 D CB -0.105 40.539 40.800 -0.259 0.000 0.954 92 D HN 0.049 nan 8.370 nan 0.000 0.455 93 V N 1.907 121.542 119.914 -0.465 0.000 2.233 93 V HA -0.175 3.939 4.120 -0.009 0.000 0.247 93 V C -0.904 175.062 176.094 -0.212 0.000 1.050 93 V CA 1.865 63.892 62.300 -0.456 0.000 1.010 93 V CB -1.637 29.994 31.823 -0.321 0.000 0.637 93 V HN 0.235 nan 8.190 nan 0.000 0.444 94 P HA 0.015 nan 4.420 nan 0.000 0.244 94 P C 0.592 177.857 177.300 -0.057 0.000 1.211 94 P CA 1.567 64.639 63.100 -0.047 0.000 0.760 94 P CB 0.143 31.844 31.700 0.002 0.000 0.961 95 A N -0.464 122.305 122.820 -0.085 0.000 1.988 95 A HA 0.200 4.515 4.320 -0.009 0.000 0.198 95 A C 1.881 179.430 177.584 -0.059 0.000 1.507 95 A CA -0.019 51.981 52.037 -0.060 0.000 0.901 95 A CB -0.883 18.087 19.000 -0.049 0.000 1.007 95 A HN 0.103 nan 8.150 nan 0.000 0.502 96 I N -0.331 120.189 120.570 -0.083 0.000 2.830 96 I HA -0.107 4.058 4.170 -0.009 0.000 0.263 96 I C 2.349 178.451 176.117 -0.026 0.000 1.230 96 I CA 0.621 61.904 61.300 -0.029 0.000 1.480 96 I CB -0.120 37.889 38.000 0.015 0.000 1.095 96 I HN 0.348 nan 8.210 nan 0.000 0.455 97 R N 1.028 121.480 120.500 -0.081 0.000 2.148 97 R HA -0.244 4.091 4.340 -0.009 0.000 0.230 97 R C 1.737 177.969 176.300 -0.113 0.000 1.120 97 R CA 2.672 58.703 56.100 -0.115 0.000 0.902 97 R CB -0.279 29.916 30.300 -0.174 0.000 0.839 97 R HN 0.357 nan 8.270 nan 0.000 0.431 98 D N -0.098 120.236 120.400 -0.110 0.000 2.263 98 D HA -0.118 4.516 4.640 -0.009 0.000 0.208 98 D C 1.950 178.222 176.300 -0.047 0.000 0.971 98 D CA 1.700 55.643 54.000 -0.095 0.000 0.867 98 D CB -0.270 40.482 40.800 -0.080 0.000 0.929 98 D HN 0.431 nan 8.370 nan 0.000 0.492 99 K N 0.970 121.355 120.400 -0.024 0.000 2.155 99 K HA 0.014 4.328 4.320 -0.009 0.000 0.203 99 K C 2.122 178.746 176.600 0.040 0.000 1.052 99 K CA 0.594 56.886 56.287 0.009 0.000 0.948 99 K CB -0.896 31.614 32.500 0.017 0.000 0.728 99 K HN 0.201 nan 8.250 nan 0.000 0.448 100 I N 0.154 120.742 120.570 0.030 0.000 2.286 100 I HA -0.193 3.972 4.170 -0.009 0.000 0.245 100 I C 2.788 178.920 176.117 0.026 0.000 1.104 100 I CA 1.111 62.436 61.300 0.041 0.000 1.397 100 I CB -0.011 38.020 38.000 0.053 0.000 1.072 100 I HN 0.339 nan 8.210 nan 0.000 0.417 101 K N 1.345 121.734 120.400 -0.019 0.000 2.002 101 K HA -0.230 4.085 4.320 -0.009 0.000 0.209 101 K C 1.944 178.549 176.600 0.007 0.000 1.048 101 K CA 1.770 58.035 56.287 -0.036 0.000 0.930 101 K CB -0.092 32.346 32.500 -0.104 0.000 0.714 101 K HN 0.292 nan 8.250 nan 0.000 0.438 102 E N -0.070 120.135 120.200 0.009 0.000 2.114 102 E HA -0.208 4.137 4.350 -0.009 0.000 0.199 102 E C 0.649 177.280 176.600 0.051 0.000 1.008 102 E CA 0.583 56.993 56.400 0.016 0.000 0.810 102 E CB -0.293 29.407 29.700 0.000 0.000 0.739 102 E HN 0.325 nan 8.360 nan 0.000 0.456 103 H N 1.482 120.537 119.070 -0.025 0.000 3.209 103 H HA -0.073 4.477 4.556 -0.009 0.000 0.297 103 H C -1.619 173.698 175.328 -0.019 0.000 0.936 103 H CA -0.596 55.440 56.048 -0.021 0.000 1.392 103 H CB 0.925 30.674 29.762 -0.021 0.000 1.349 103 H HN 0.036 nan 8.280 nan 0.000 0.568 104 P HA -0.119 nan 4.420 nan 0.000 0.218 104 P C 1.046 178.455 177.300 0.180 0.000 1.149 104 P CA 1.632 64.783 63.100 0.084 0.000 0.817 104 P CB 0.011 31.701 31.700 -0.017 0.000 0.785 105 A N -0.202 122.849 122.820 0.385 0.000 2.066 105 A HA 0.038 4.352 4.320 -0.009 0.000 0.218 105 A C 1.291 178.906 177.584 0.052 0.000 1.157 105 A CA 0.580 52.721 52.037 0.172 0.000 0.670 105 A CB -0.851 18.230 19.000 0.134 0.000 0.804 105 A HN 0.104 nan 8.150 nan 0.000 0.453 106 V N 0.931 120.877 119.914 0.053 0.000 2.406 106 V HA 0.106 4.221 4.120 -0.009 0.000 0.272 106 V C 1.364 177.479 176.094 0.036 0.000 1.043 106 V CA -0.069 62.237 62.300 0.009 0.000 0.915 106 V CB 1.366 33.175 31.823 -0.023 0.000 0.988 106 V HN 0.246 nan 8.190 nan 0.000 0.466 107 V N 3.276 123.214 119.914 0.039 0.000 2.346 107 V HA 0.097 4.212 4.120 -0.009 0.000 0.244 107 V C 0.622 176.715 176.094 -0.002 0.000 1.037 107 V CA 1.340 63.657 62.300 0.029 0.000 1.029 107 V CB -0.177 31.671 31.823 0.043 0.000 0.663 107 V HN 0.922 nan 8.190 nan 0.000 0.454 108 D N -1.870 118.529 120.400 -0.001 0.000 2.653 108 D HA 0.462 5.097 4.640 -0.009 0.000 0.258 108 D C -1.435 174.794 176.300 -0.119 0.000 1.252 108 D CA -0.455 53.473 54.000 -0.119 0.000 0.777 108 D CB 2.319 42.965 40.800 -0.256 0.000 1.339 108 D HN 0.184 nan 8.370 nan 0.000 0.422 109 I N -1.203 119.216 120.570 -0.252 0.000 2.693 109 I HA 0.709 4.873 4.170 -0.009 0.000 0.303 109 I C -1.148 174.885 176.117 -0.139 0.000 1.025 109 I CA -0.676 60.592 61.300 -0.053 0.000 1.086 109 I CB 1.873 39.874 38.000 0.002 0.000 1.268 109 I HN 0.180 nan 8.210 nan 0.000 0.440 110 Y N 0.680 121.248 120.300 0.446 0.000 2.562 110 Y HA 0.380 4.925 4.550 -0.009 0.000 0.345 110 Y C -0.231 175.867 175.900 0.331 0.000 1.045 110 Y CA -0.822 57.476 58.100 0.331 0.000 1.028 110 Y CB 1.937 40.536 38.460 0.232 0.000 1.297 110 Y HN 0.718 nan 8.280 nan 0.000 0.463 111 E N 1.046 121.366 120.200 0.200 0.000 2.271 111 E HA -0.279 4.065 4.350 -0.009 0.000 0.223 111 E C -1.044 175.629 176.600 0.122 0.000 1.223 111 E CA 0.737 57.229 56.400 0.153 0.000 0.704 111 E CB -1.351 28.612 29.700 0.439 0.000 1.194 111 E HN 0.699 nan 8.360 nan 0.000 0.375 112 Y N -1.129 119.248 120.300 0.128 0.000 2.660 112 Y HA 0.376 4.920 4.550 -0.010 0.000 0.254 112 Y C 0.396 176.325 175.900 0.048 0.000 1.176 112 Y CA -0.341 57.800 58.100 0.068 0.000 1.195 112 Y CB 0.295 38.785 38.460 0.051 0.000 1.190 112 Y HN 0.023 nan 8.280 nan 0.000 0.535 113 D N -0.337 120.062 120.400 -0.002 0.000 2.712 113 D HA 0.155 4.789 4.640 -0.009 0.000 0.300 113 D C -0.548 175.816 176.300 0.106 0.000 1.521 113 D CA -0.030 54.019 54.000 0.083 0.000 0.790 113 D CB -0.294 40.547 40.800 0.067 0.000 1.155 113 D HN 0.127 nan 8.370 nan 0.000 0.456 114 I N 1.856 122.497 120.570 0.120 0.000 2.291 114 I HA 0.313 4.477 4.170 -0.009 0.000 0.290 114 I C -2.198 174.077 176.117 0.263 0.000 1.050 114 I CA -2.771 58.666 61.300 0.228 0.000 1.245 114 I CB 0.130 38.242 38.000 0.186 0.000 1.405 114 I HN -0.297 nan 8.210 nan 0.000 0.478 115 P HA -0.121 nan 4.420 nan 0.000 0.255 115 P C 1.002 178.464 177.300 0.270 0.000 1.151 115 P CA 0.324 63.588 63.100 0.274 0.000 0.767 115 P CB 0.234 32.076 31.700 0.238 0.000 0.736 116 F N 4.876 124.892 119.950 0.110 0.000 2.082 116 F HA -0.362 4.157 4.527 -0.012 0.000 0.298 116 F C 2.087 177.982 175.800 0.159 0.000 1.091 116 F CA 2.446 60.489 58.000 0.070 0.000 1.230 116 F CB -0.737 38.168 39.000 -0.158 0.000 0.983 116 F HN 0.385 nan 8.300 nan 0.000 0.485 117 A N -0.652 122.247 122.820 0.131 0.000 2.015 117 A HA -0.144 4.171 4.320 -0.009 0.000 0.219 117 A C 2.193 179.764 177.584 -0.021 0.000 1.163 117 A CA 1.572 53.609 52.037 -0.000 0.000 0.646 117 A CB -0.492 18.562 19.000 0.090 0.000 0.806 117 A HN 0.503 nan 8.150 nan 0.000 0.448 118 K N -0.840 119.567 120.400 0.011 0.000 2.137 118 K HA -0.035 4.279 4.320 -0.009 0.000 0.202 118 K C 2.207 178.852 176.600 0.075 0.000 1.052 118 K CA 1.024 57.297 56.287 -0.023 0.000 0.961 118 K CB -0.107 32.288 32.500 -0.175 0.000 0.741 118 K HN 0.337 nan 8.250 nan 0.000 0.452 119 R N 0.931 121.503 120.500 0.120 0.000 2.103 119 R HA -0.235 4.100 4.340 -0.009 0.000 0.242 119 R C 2.096 178.415 176.300 0.031 0.000 1.142 119 R CA 1.575 57.747 56.100 0.119 0.000 0.960 119 R CB -0.774 29.596 30.300 0.117 0.000 0.858 119 R HN 0.289 nan 8.270 nan 0.000 0.439 120 Y N 0.319 120.444 120.300 -0.291 0.000 2.181 120 Y HA -0.143 4.401 4.550 -0.009 0.000 0.288 120 Y C 1.778 177.400 175.900 -0.464 0.000 1.146 120 Y CA 1.926 59.594 58.100 -0.721 0.000 1.164 120 Y CB -0.195 37.729 38.460 -0.894 0.000 0.982 120 Y HN 0.079 nan 8.280 nan 0.000 0.515 121 L N -0.441 120.664 121.223 -0.196 0.000 2.012 121 L HA -0.274 4.060 4.340 -0.009 0.000 0.210 121 L C 2.374 179.109 176.870 -0.225 0.000 1.073 121 L CA 1.708 56.439 54.840 -0.182 0.000 0.748 121 L CB -0.556 41.464 42.059 -0.065 0.000 0.891 121 L HN 0.294 nan 8.230 nan 0.000 0.431 122 I N -0.332 120.139 120.570 -0.166 0.000 2.113 122 I HA -0.299 3.866 4.170 -0.009 0.000 0.238 122 I C 2.093 177.947 176.117 -0.438 0.000 1.070 122 I CA 1.455 62.642 61.300 -0.188 0.000 1.332 122 I CB -0.424 37.538 38.000 -0.064 0.000 1.044 122 I HN 0.233 nan 8.210 nan 0.000 0.402 123 D N 0.894 120.973 120.400 -0.534 0.000 2.117 123 D HA -0.135 4.499 4.640 -0.009 0.000 0.197 123 D C 1.866 177.968 176.300 -0.331 0.000 0.987 123 D CA 1.094 54.686 54.000 -0.680 0.000 0.829 123 D CB -0.211 40.565 40.800 -0.040 0.000 0.961 123 D HN 0.141 nan 8.370 nan 0.000 0.460 124 K N 0.234 120.369 120.400 -0.442 0.000 2.551 124 K HA 0.121 4.435 4.320 -0.009 0.000 0.192 124 K C 0.933 177.389 176.600 -0.240 0.000 1.027 124 K CA 0.397 56.455 56.287 -0.383 0.000 1.059 124 K CB 0.023 32.077 32.500 -0.743 0.000 0.831 124 K HN 0.189 nan 8.250 nan 0.000 0.508 125 G N 2.226 110.907 108.800 -0.199 0.000 2.379 125 G HA2 -0.271 3.683 3.960 -0.009 0.000 0.297 125 G HA3 -0.271 3.683 3.960 -0.009 0.000 0.297 125 G C 0.015 174.852 174.900 -0.106 0.000 1.004 125 G CA 0.241 45.278 45.100 -0.106 0.000 0.921 125 G HN 0.254 nan 8.290 nan 0.000 0.511 126 L N -0.136 120.994 121.223 -0.154 0.000 2.357 126 L HA 0.583 4.918 4.340 -0.009 0.000 0.273 126 L C 0.486 177.320 176.870 -0.060 0.000 1.080 126 L CA -0.991 53.786 54.840 -0.105 0.000 0.803 126 L CB 1.181 43.163 42.059 -0.128 0.000 1.174 126 L HN 0.008 nan 8.230 nan 0.000 0.443 127 I N 3.232 123.784 120.570 -0.030 0.000 2.439 127 I HA 0.350 4.515 4.170 -0.009 0.000 0.283 127 I C -2.244 173.873 176.117 -0.001 0.000 1.023 127 I CA -2.188 59.105 61.300 -0.012 0.000 1.100 127 I CB 1.351 39.349 38.000 -0.003 0.000 1.238 127 I HN 0.241 nan 8.210 nan 0.000 0.445 128 P HA 0.211 nan 4.420 nan 0.000 0.271 128 P C 0.391 177.697 177.300 0.010 0.000 1.233 128 P CA -0.201 62.907 63.100 0.013 0.000 0.789 128 P CB 0.369 32.075 31.700 0.011 0.000 0.951 129 M N -2.826 116.787 119.600 0.022 0.000 2.503 129 M HA -0.216 4.259 4.480 -0.009 0.000 0.199 129 M C -0.414 175.895 176.300 0.016 0.000 0.466 129 M CA 1.283 56.595 55.300 0.019 0.000 0.510 129 M CB -2.707 29.881 32.600 -0.019 0.000 1.858 129 M HN 0.479 nan 8.290 nan 0.000 0.799 130 E N 0.050 120.261 120.200 0.019 0.000 2.231 130 E HA 0.708 5.052 4.350 -0.009 0.000 0.277 130 E C 1.023 177.636 176.600 0.021 0.000 0.999 130 E CA 0.367 56.777 56.400 0.016 0.000 0.827 130 E CB 1.671 31.378 29.700 0.012 0.000 1.101 130 E HN 0.508 nan 8.360 nan 0.000 0.393 131 G N 0.776 109.588 108.800 0.020 0.000 2.384 131 G HA2 -0.104 3.851 3.960 -0.009 0.000 0.668 131 G HA3 -0.104 3.851 3.960 -0.009 0.000 0.668 131 G C 0.114 175.028 174.900 0.024 0.000 1.280 131 G CA -0.159 44.953 45.100 0.021 0.000 0.992 131 G HN 0.517 nan 8.290 nan 0.000 0.512 132 D N -0.297 120.117 120.400 0.023 0.000 2.271 132 D HA 0.278 4.912 4.640 -0.009 0.000 0.206 132 D C 0.918 177.235 176.300 0.028 0.000 0.967 132 D CA 1.272 55.287 54.000 0.024 0.000 0.867 132 D CB -0.256 40.557 40.800 0.021 0.000 0.960 132 D HN 0.711 nan 8.370 nan 0.000 0.509 133 E N 1.218 121.437 120.200 0.031 0.000 3.311 133 E HA -0.015 4.329 4.350 -0.009 0.000 0.264 133 E C -0.416 176.204 176.600 0.034 0.000 0.875 133 E CA 0.384 56.805 56.400 0.035 0.000 0.969 133 E CB 0.135 29.862 29.700 0.044 0.000 0.910 133 E HN 0.494 nan 8.360 nan 0.000 0.548 134 E N 3.684 123.901 120.200 0.029 0.000 2.029 134 E HA 0.128 4.472 4.350 -0.009 0.000 0.276 134 E C 0.437 177.047 176.600 0.016 0.000 1.163 134 E CA -0.219 56.194 56.400 0.022 0.000 0.909 134 E CB 0.027 29.741 29.700 0.024 0.000 1.046 134 E HN 0.257 nan 8.360 nan 0.000 0.406 135 L N 2.598 123.820 121.223 -0.000 0.000 2.461 135 L HA 0.281 4.616 4.340 -0.009 0.000 0.272 135 L C 0.684 177.533 176.870 -0.034 0.000 1.197 135 L CA 0.019 54.847 54.840 -0.019 0.000 0.836 135 L CB 0.485 42.508 42.059 -0.060 0.000 1.105 135 L HN 0.351 nan 8.230 nan 0.000 0.477 136 K N 3.523 123.913 120.400 -0.016 0.000 2.185 136 K HA 0.602 4.916 4.320 -0.009 0.000 0.269 136 K C -1.006 175.592 176.600 -0.003 0.000 0.987 136 K CA -0.210 56.077 56.287 0.000 0.000 0.865 136 K CB 1.077 33.582 32.500 0.008 0.000 1.090 136 K HN 0.476 nan 8.250 nan 0.000 0.450 137 M N 4.924 124.549 119.600 0.042 0.000 2.393 137 M HA 0.423 4.898 4.480 -0.009 0.000 0.299 137 M C -1.665 174.744 176.300 0.181 0.000 1.103 137 M CA -1.238 54.118 55.300 0.093 0.000 0.910 137 M CB 1.945 34.584 32.600 0.064 0.000 1.659 137 M HN 0.531 nan 8.290 nan 0.000 0.445 138 L N 2.404 123.757 121.223 0.215 0.000 2.438 138 L HA 0.841 5.176 4.340 -0.009 0.000 0.270 138 L C -0.960 176.135 176.870 0.374 0.000 0.972 138 L CA -0.151 54.832 54.840 0.238 0.000 0.831 138 L CB 1.826 43.987 42.059 0.170 0.000 1.273 138 L HN 0.831 nan 8.230 nan 0.000 0.405 139 A N 4.371 127.421 122.820 0.383 0.000 2.304 139 A HA 0.797 5.112 4.320 -0.009 0.000 0.301 139 A C -0.978 176.868 177.584 0.437 0.000 1.132 139 A CA -0.285 51.980 52.037 0.380 0.000 0.819 139 A CB 0.371 19.574 19.000 0.339 0.000 1.094 139 A HN 0.795 nan 8.150 nan 0.000 0.492 140 F N 0.109 120.193 119.950 0.223 0.000 2.601 140 F HA 0.812 5.334 4.527 -0.009 0.000 0.309 140 F C -1.281 174.544 175.800 0.042 0.000 1.089 140 F CA -1.002 57.094 58.000 0.160 0.000 0.940 140 F CB 1.690 40.837 39.000 0.245 0.000 1.273 140 F HN 0.463 nan 8.300 nan 0.000 0.450 141 D N 2.374 122.804 120.400 0.050 0.000 2.581 141 D HA 0.629 5.264 4.640 -0.009 0.000 0.232 141 D C -1.212 175.066 176.300 -0.036 0.000 1.143 141 D CA -0.382 53.571 54.000 -0.078 0.000 0.881 141 D CB 2.723 43.454 40.800 -0.116 0.000 1.500 141 D HN 0.863 nan 8.370 nan 0.000 0.458 142 I N -1.631 118.900 120.570 -0.065 0.000 2.740 142 I HA 0.784 4.949 4.170 -0.009 0.000 0.303 142 I C -0.918 175.158 176.117 -0.068 0.000 1.044 142 I CA -0.771 60.465 61.300 -0.106 0.000 1.064 142 I CB 2.353 40.233 38.000 -0.200 0.000 1.249 142 I HN 0.004 nan 8.210 nan 0.000 0.433 143 E N 2.893 123.038 120.200 -0.090 0.000 2.216 143 E HA 0.427 4.772 4.350 -0.009 0.000 0.260 143 E C -0.747 175.763 176.600 -0.151 0.000 0.880 143 E CA -0.405 55.956 56.400 -0.065 0.000 0.765 143 E CB 1.951 31.646 29.700 -0.008 0.000 1.174 143 E HN 0.818 nan 8.360 nan 0.000 0.417 144 T N 0.262 114.715 114.554 -0.168 0.000 2.944 144 T HA 0.555 4.900 4.350 -0.009 0.000 0.284 144 T C -0.359 174.244 174.700 -0.160 0.000 1.010 144 T CA -0.949 61.010 62.100 -0.235 0.000 1.025 144 T CB 0.802 69.376 68.868 -0.492 0.000 1.079 144 T HN 0.239 nan 8.240 nan 0.000 0.516 145 L N 2.644 123.780 121.223 -0.145 0.000 2.260 145 L HA 0.539 4.874 4.340 -0.009 0.000 0.289 145 L C -1.179 175.658 176.870 -0.055 0.000 1.057 145 L CA -0.722 54.026 54.840 -0.154 0.000 0.811 145 L CB -0.155 41.796 42.059 -0.180 0.000 1.184 145 L HN 0.772 nan 8.230 nan 0.000 0.429 146 Y N 4.437 124.559 120.300 -0.297 0.000 2.409 146 Y HA 0.618 5.163 4.550 -0.009 0.000 0.343 146 Y C -1.266 174.348 175.900 -0.476 0.000 0.973 146 Y CA -0.622 57.342 58.100 -0.226 0.000 1.064 146 Y CB 1.255 39.670 38.460 -0.075 0.000 1.207 146 Y HN 0.785 nan 8.280 nan 0.000 0.452 147 H N 3.080 121.741 119.070 -0.681 0.000 2.759 147 H HA 0.271 4.821 4.556 -0.009 0.000 0.354 147 H C -1.043 173.775 175.328 -0.849 0.000 1.074 147 H CA -1.078 54.580 56.048 -0.650 0.000 1.226 147 H CB 1.523 31.143 29.762 -0.236 0.000 1.648 147 H HN 0.615 nan 8.280 nan 0.000 0.529 148 E N 1.742 121.601 120.200 -0.568 0.000 2.765 148 E HA -0.027 4.318 4.350 -0.009 0.000 0.256 148 E C 0.812 177.373 176.600 -0.064 0.000 0.935 148 E CA 1.495 57.759 56.400 -0.226 0.000 0.954 148 E CB 0.401 30.102 29.700 0.002 0.000 0.908 148 E HN 1.063 nan 8.360 nan 0.000 0.500 149 G N 3.503 112.329 108.800 0.043 0.000 2.195 149 G HA2 -0.295 3.659 3.960 -0.009 0.000 0.246 149 G HA3 -0.295 3.659 3.960 -0.009 0.000 0.246 149 G C 0.166 175.115 174.900 0.082 0.000 0.984 149 G CA 0.108 45.257 45.100 0.080 0.000 0.633 149 G HN 0.559 nan 8.290 nan 0.000 0.525 150 E N 1.571 121.810 120.200 0.065 0.000 2.415 150 E HA 0.468 4.813 4.350 -0.009 0.000 0.262 150 E C 1.050 177.731 176.600 0.136 0.000 1.038 150 E CA 0.438 56.889 56.400 0.085 0.000 0.921 150 E CB 0.353 30.100 29.700 0.079 0.000 0.950 150 E HN 0.682 nan 8.360 nan 0.000 0.438 151 K N 2.551 123.016 120.400 0.107 0.000 2.440 151 K HA -0.033 4.281 4.320 -0.009 0.000 0.270 151 K C -0.191 176.504 176.600 0.159 0.000 0.980 151 K CA -0.159 56.205 56.287 0.128 0.000 0.953 151 K CB 0.025 32.572 32.500 0.078 0.000 0.925 151 K HN 0.468 nan 8.250 nan 0.000 0.497 152 F N 1.764 121.743 119.950 0.049 0.000 2.612 152 F HA 0.307 4.828 4.527 -0.009 0.000 0.389 152 F C 1.398 177.133 175.800 -0.107 0.000 1.055 152 F CA 0.743 58.764 58.000 0.034 0.000 1.232 152 F CB -0.565 38.447 39.000 0.021 0.000 1.044 152 F HN 1.220 nan 8.300 nan 0.000 0.560 153 A N 3.879 126.154 122.820 -0.907 0.000 2.860 153 A HA -0.348 3.967 4.320 -0.009 0.000 0.267 153 A C 1.696 178.927 177.584 -0.589 0.000 1.421 153 A CA 1.290 52.526 52.037 -1.333 0.000 0.831 153 A CB -2.632 15.136 19.000 -2.053 0.000 1.041 153 A HN 0.925 nan 8.150 nan 0.000 0.623 154 E N -0.055 120.002 120.200 -0.239 0.000 2.047 154 E HA 0.144 4.489 4.350 -0.009 0.000 0.191 154 E C 1.420 177.999 176.600 -0.035 0.000 0.987 154 E CA 0.884 57.224 56.400 -0.100 0.000 0.799 154 E CB -0.304 29.390 29.700 -0.011 0.000 0.752 154 E HN 1.067 nan 8.360 nan 0.000 0.449 155 G N 1.801 110.632 108.800 0.052 0.000 2.484 155 G HA2 0.123 4.078 3.960 -0.009 0.000 0.235 155 G HA3 0.123 4.078 3.960 -0.009 0.000 0.235 155 G C -2.366 172.616 174.900 0.136 0.000 1.282 155 G CA -0.886 44.287 45.100 0.122 0.000 0.857 155 G HN 0.198 nan 8.290 nan 0.000 0.571 156 P HA 0.281 nan 4.420 nan 0.000 0.276 156 P C 0.092 177.483 177.300 0.152 0.000 1.244 156 P CA -0.499 62.688 63.100 0.146 0.000 0.801 156 P CB 1.264 33.102 31.700 0.231 0.000 1.006 157 I N 1.511 122.171 120.570 0.150 0.000 2.692 157 I HA -0.002 4.162 4.170 -0.009 0.000 0.284 157 I C 1.771 177.952 176.117 0.107 0.000 1.159 157 I CA 0.133 61.448 61.300 0.026 0.000 1.423 157 I CB 0.081 38.073 38.000 -0.012 0.000 1.380 157 I HN 0.255 nan 8.210 nan 0.000 0.580 158 L N 4.943 126.109 121.223 -0.094 0.000 2.500 158 L HA 0.336 4.671 4.340 -0.009 0.000 0.219 158 L C 0.200 177.012 176.870 -0.097 0.000 1.057 158 L CA 0.485 55.140 54.840 -0.309 0.000 0.854 158 L CB 0.031 41.562 42.059 -0.880 0.000 1.078 158 L HN 0.560 nan 8.230 nan 0.000 0.480 159 M N -0.023 119.548 119.600 -0.049 0.000 2.470 159 M HA 0.466 4.941 4.480 -0.009 0.000 0.285 159 M C -1.448 174.841 176.300 -0.017 0.000 1.213 159 M CA -0.312 54.999 55.300 0.018 0.000 0.901 159 M CB 3.382 35.986 32.600 0.007 0.000 1.718 159 M HN -0.174 nan 8.290 nan 0.000 0.469 160 I N 1.841 122.414 120.570 0.006 0.000 2.436 160 I HA 0.498 4.663 4.170 -0.009 0.000 0.289 160 I C -0.382 175.762 176.117 0.046 0.000 1.010 160 I CA -0.470 60.784 61.300 -0.077 0.000 1.098 160 I CB 2.281 40.150 38.000 -0.218 0.000 1.266 160 I HN 0.821 nan 8.210 nan 0.000 0.434 161 S N 5.699 121.427 115.700 0.047 0.000 2.532 161 S HA 0.810 5.275 4.470 -0.009 0.000 0.301 161 S C -0.971 173.767 174.600 0.231 0.000 1.083 161 S CA -0.669 57.579 58.200 0.079 0.000 1.025 161 S CB 1.775 64.956 63.200 -0.033 0.000 1.056 161 S HN 0.587 nan 8.310 nan 0.000 0.494 162 Y N -1.070 119.292 120.300 0.104 0.000 2.562 162 Y HA 0.913 5.458 4.550 -0.008 0.000 0.345 162 Y C -0.871 175.055 175.900 0.044 0.000 1.045 162 Y CA -1.381 56.812 58.100 0.155 0.000 1.028 162 Y CB 1.046 39.659 38.460 0.255 0.000 1.297 162 Y HN 1.034 nan 8.280 nan 0.000 0.463 163 A N 2.141 125.022 122.820 0.101 0.000 2.549 163 A HA 0.825 5.140 4.320 -0.009 0.000 0.297 163 A C -1.687 175.731 177.584 -0.276 0.000 1.061 163 A CA -0.086 51.878 52.037 -0.120 0.000 0.690 163 A CB 1.766 20.681 19.000 -0.142 0.000 1.287 163 A HN 1.066 nan 8.150 nan 0.000 0.402 164 D N -0.429 119.660 120.400 -0.518 0.000 3.103 164 D HA 0.180 4.814 4.640 -0.009 0.000 0.337 164 D C 0.835 176.699 176.300 -0.727 0.000 1.356 164 D CA 0.204 53.610 54.000 -0.989 0.000 0.951 164 D CB -0.310 40.257 40.800 -0.389 0.000 1.438 164 D HN 0.414 nan 8.370 nan 0.000 0.562 165 E N 0.485 120.448 120.200 -0.395 0.000 2.219 165 E HA -0.272 4.072 4.350 -0.009 0.000 0.198 165 E C 0.865 177.427 176.600 -0.064 0.000 0.998 165 E CA 1.521 57.875 56.400 -0.076 0.000 0.818 165 E CB -0.338 29.392 29.700 0.049 0.000 0.741 165 E HN 0.663 nan 8.360 nan 0.000 0.477 166 E N 0.607 120.755 120.200 -0.087 0.000 2.481 166 E HA 0.211 4.555 4.350 -0.009 0.000 0.195 166 E C 0.583 177.144 176.600 -0.064 0.000 1.047 166 E CA 0.412 56.785 56.400 -0.046 0.000 0.867 166 E CB 0.385 30.075 29.700 -0.017 0.000 0.858 166 E HN 0.471 nan 8.360 nan 0.000 0.513 167 G N 0.144 108.870 108.800 -0.123 0.000 2.353 167 G HA2 0.192 4.147 3.960 -0.009 0.000 0.615 167 G HA3 0.192 4.147 3.960 -0.009 0.000 0.615 167 G C -1.314 173.466 174.900 -0.201 0.000 1.280 167 G CA -0.645 44.373 45.100 -0.135 0.000 1.000 167 G HN 0.248 nan 8.290 nan 0.000 0.516 168 A N -0.419 122.258 122.820 -0.239 0.000 2.330 168 A HA 1.023 5.337 4.320 -0.009 0.000 0.329 168 A C 0.270 177.633 177.584 -0.368 0.000 1.135 168 A CA -0.340 51.497 52.037 -0.335 0.000 0.817 168 A CB 1.381 20.182 19.000 -0.333 0.000 1.269 168 A HN 0.991 nan 8.150 nan 0.000 0.469 169 R N -0.364 119.828 120.500 -0.514 0.000 2.764 169 R HA 0.643 4.978 4.340 -0.009 0.000 0.270 169 R C -1.851 174.294 176.300 -0.258 0.000 1.014 169 R CA -0.777 55.115 56.100 -0.346 0.000 0.904 169 R CB 2.308 32.346 30.300 -0.437 0.000 1.236 169 R HN 0.467 nan 8.270 nan 0.000 0.466 170 V N 2.320 122.242 119.914 0.014 0.000 2.680 170 V HA 0.545 4.660 4.120 -0.009 0.000 0.309 170 V C -0.413 175.766 176.094 0.143 0.000 1.052 170 V CA -0.758 61.590 62.300 0.079 0.000 0.908 170 V CB 2.180 34.078 31.823 0.125 0.000 1.001 170 V HN 0.535 nan 8.190 nan 0.000 0.431 171 I N 3.082 123.761 120.570 0.181 0.000 2.355 171 I HA 0.567 4.731 4.170 -0.009 0.000 0.288 171 I C -0.115 176.119 176.117 0.195 0.000 0.999 171 I CA -0.017 61.405 61.300 0.204 0.000 1.163 171 I CB 1.789 39.937 38.000 0.248 0.000 1.316 171 I HN 0.615 nan 8.210 nan 0.000 0.454 172 T N 5.864 120.541 114.554 0.206 0.000 2.909 172 T HA 0.422 4.766 4.350 -0.009 0.000 0.299 172 T C -1.184 173.709 174.700 0.322 0.000 1.073 172 T CA -0.531 61.718 62.100 0.248 0.000 0.999 172 T CB 1.169 70.134 68.868 0.161 0.000 1.098 172 T HN 0.583 nan 8.240 nan 0.000 0.477 173 W N 3.473 124.899 121.300 0.211 0.000 1.818 173 W HA 0.685 5.340 4.660 -0.009 0.000 0.334 173 W C -0.350 176.294 176.519 0.209 0.000 0.753 173 W CA -1.047 56.412 57.345 0.190 0.000 1.826 173 W CB -1.191 28.374 29.460 0.174 0.000 2.001 173 W HN 0.566 nan 8.180 nan 0.000 0.324 174 R N 2.376 122.915 120.500 0.066 0.000 3.070 174 R HA 0.090 4.424 4.340 -0.009 0.000 0.249 174 R C -1.310 174.955 176.300 -0.058 0.000 1.124 174 R CA -0.790 55.230 56.100 -0.134 0.000 1.111 174 R CB 0.396 30.434 30.300 -0.437 0.000 1.268 174 R HN 0.354 nan 8.270 nan 0.000 0.466 175 N N 2.808 121.466 118.700 -0.069 0.000 2.434 175 N HA 0.257 4.992 4.740 -0.009 0.000 0.268 175 N C -0.389 175.087 175.510 -0.057 0.000 1.256 175 N CA 0.453 53.477 53.050 -0.044 0.000 0.914 175 N CB -0.004 38.457 38.487 -0.043 0.000 1.088 175 N HN 0.589 nan 8.380 nan 0.000 0.478 176 I N 1.183 121.732 120.570 -0.037 0.000 2.730 176 I HA 0.196 4.361 4.170 -0.009 0.000 0.298 176 I C 0.099 176.179 176.117 -0.061 0.000 1.089 176 I CA -0.653 60.620 61.300 -0.045 0.000 1.041 176 I CB 2.152 40.138 38.000 -0.023 0.000 1.235 176 I HN 0.331 nan 8.210 nan 0.000 0.423 177 D N 6.472 126.826 120.400 -0.078 0.000 3.088 177 D HA 0.387 5.021 4.640 -0.009 0.000 0.310 177 D C -1.013 175.204 176.300 -0.140 0.000 1.351 177 D CA -0.044 53.902 54.000 -0.089 0.000 0.921 177 D CB 0.404 41.166 40.800 -0.065 0.000 1.045 177 D HN 0.280 nan 8.370 nan 0.000 0.504 178 L N 1.195 122.285 121.223 -0.222 0.000 2.354 178 L HA 0.392 4.726 4.340 -0.009 0.000 0.269 178 L C -1.321 175.310 176.870 -0.398 0.000 1.005 178 L CA -1.734 52.873 54.840 -0.388 0.000 0.819 178 L CB 2.346 44.004 42.059 -0.669 0.000 1.311 178 L HN -0.104 nan 8.230 nan 0.000 0.423 179 P HA -0.144 nan 4.420 nan 0.000 0.231 179 P C 0.346 177.604 177.300 -0.070 0.000 1.158 179 P CA 1.222 64.234 63.100 -0.148 0.000 0.763 179 P CB -0.087 31.583 31.700 -0.051 0.000 0.805 180 Y N -2.893 117.393 120.300 -0.024 0.000 2.557 180 Y HA 0.469 5.013 4.550 -0.009 0.000 0.247 180 Y C 0.221 176.096 175.900 -0.040 0.000 1.164 180 Y CA -0.883 57.190 58.100 -0.044 0.000 1.218 180 Y CB -0.228 38.190 38.460 -0.070 0.000 1.210 180 Y HN -0.388 nan 8.280 nan 0.000 0.529 181 V N 2.601 122.471 119.914 -0.073 0.000 2.439 181 V HA 0.205 4.320 4.120 -0.009 0.000 0.282 181 V C -0.696 175.418 176.094 0.033 0.000 1.039 181 V CA -0.745 61.560 62.300 0.008 0.000 0.913 181 V CB 1.325 33.109 31.823 -0.064 0.000 0.983 181 V HN 0.177 nan 8.190 nan 0.000 0.460 182 D N 3.607 124.058 120.400 0.085 0.000 2.427 182 D HA 0.343 4.977 4.640 -0.009 0.000 0.226 182 D C -0.291 176.071 176.300 0.103 0.000 1.076 182 D CA -0.157 53.900 54.000 0.094 0.000 0.849 182 D CB 1.912 42.791 40.800 0.131 0.000 1.052 182 D HN 0.253 nan 8.370 nan 0.000 0.515 183 V N 2.362 122.323 119.914 0.078 0.000 2.530 183 V HA 0.285 4.400 4.120 -0.009 0.000 0.282 183 V C 0.692 176.851 176.094 0.108 0.000 1.048 183 V CA -0.341 62.015 62.300 0.093 0.000 0.997 183 V CB 1.561 33.420 31.823 0.059 0.000 0.987 183 V HN 0.247 nan 8.190 nan 0.000 0.477 184 V N 3.643 123.647 119.914 0.151 0.000 3.164 184 V HA 0.473 4.588 4.120 -0.009 0.000 0.313 184 V C 1.187 177.392 176.094 0.185 0.000 1.188 184 V CA 0.538 62.925 62.300 0.144 0.000 1.058 184 V CB 2.672 34.578 31.823 0.138 0.000 1.110 184 V HN 0.990 nan 8.190 nan 0.000 0.453 185 S N 0.681 116.472 115.700 0.152 0.000 2.371 185 S HA 0.078 4.543 4.470 -0.009 0.000 0.221 185 S C 0.679 175.425 174.600 0.243 0.000 1.036 185 S CA 1.048 59.345 58.200 0.162 0.000 0.965 185 S CB -0.170 63.087 63.200 0.095 0.000 0.845 185 S HN 1.285 nan 8.310 nan 0.000 0.475 186 T N -1.213 113.428 114.554 0.144 0.000 2.804 186 T HA 0.492 4.836 4.350 -0.009 0.000 0.290 186 T C 0.628 175.078 174.700 -0.418 0.000 1.099 186 T CA -0.115 61.951 62.100 -0.057 0.000 1.011 186 T CB 1.594 70.356 68.868 -0.176 0.000 1.291 186 T HN 0.291 nan 8.240 nan 0.000 0.523 187 E N 0.700 120.168 120.200 -1.220 0.000 2.106 187 E HA -0.113 4.231 4.350 -0.009 0.000 0.192 187 E C 1.925 178.276 176.600 -0.415 0.000 0.984 187 E CA 0.889 56.656 56.400 -1.054 0.000 0.806 187 E CB -0.138 28.842 29.700 -1.200 0.000 0.750 187 E HN 0.638 nan 8.360 nan 0.000 0.458 188 K N 0.175 120.369 120.400 -0.342 0.000 2.152 188 K HA -0.191 4.124 4.320 -0.009 0.000 0.206 188 K C 1.834 178.375 176.600 -0.097 0.000 1.048 188 K CA 1.521 57.701 56.287 -0.178 0.000 0.933 188 K CB 0.111 32.524 32.500 -0.144 0.000 0.721 188 K HN 0.124 nan 8.250 nan 0.000 0.447 189 E N 0.499 120.648 120.200 -0.085 0.000 2.112 189 E HA -0.143 4.202 4.350 -0.009 0.000 0.190 189 E C 1.804 178.423 176.600 0.032 0.000 0.979 189 E CA 0.703 57.098 56.400 -0.010 0.000 0.814 189 E CB -0.189 29.523 29.700 0.019 0.000 0.762 189 E HN 0.391 nan 8.360 nan 0.000 0.460 190 M N 0.496 120.119 119.600 0.038 0.000 2.082 190 M HA -0.225 4.249 4.480 -0.009 0.000 0.258 190 M C 2.130 178.492 176.300 0.104 0.000 1.071 190 M CA 1.691 57.055 55.300 0.107 0.000 1.103 190 M CB -0.200 32.487 32.600 0.145 0.000 1.307 190 M HN 0.024 nan 8.290 nan 0.000 0.409 191 I N 0.108 120.709 120.570 0.052 0.000 2.127 191 I HA -0.361 3.804 4.170 -0.009 0.000 0.241 191 I C 2.384 178.587 176.117 0.144 0.000 1.075 191 I CA 1.696 63.058 61.300 0.103 0.000 1.334 191 I CB -0.601 37.414 38.000 0.025 0.000 1.040 191 I HN 0.330 nan 8.210 nan 0.000 0.405 192 K N 0.130 120.573 120.400 0.071 0.000 2.113 192 K HA -0.254 4.061 4.320 -0.009 0.000 0.208 192 K C 2.264 178.879 176.600 0.025 0.000 1.047 192 K CA 1.406 57.718 56.287 0.042 0.000 0.928 192 K CB -0.128 32.381 32.500 0.015 0.000 0.716 192 K HN 0.060 nan 8.250 nan 0.000 0.446 193 R N 0.644 121.175 120.500 0.053 0.000 2.062 193 R HA -0.110 4.225 4.340 -0.009 0.000 0.229 193 R C 1.890 178.199 176.300 0.016 0.000 1.128 193 R CA 1.318 57.442 56.100 0.040 0.000 0.960 193 R CB -0.944 29.407 30.300 0.083 0.000 0.855 193 R HN 0.132 nan 8.270 nan 0.000 0.432 194 F N 1.064 120.976 119.950 -0.063 0.000 2.063 194 F HA -0.248 4.274 4.527 -0.008 0.000 0.298 194 F C 1.718 177.401 175.800 -0.195 0.000 1.109 194 F CA 1.942 59.857 58.000 -0.142 0.000 1.212 194 F CB -0.613 38.327 39.000 -0.101 0.000 0.973 194 F HN 0.061 nan 8.300 nan 0.000 0.480 195 L N -0.111 120.963 121.223 -0.248 0.000 2.129 195 L HA -0.273 4.062 4.340 -0.009 0.000 0.212 195 L C 2.561 179.224 176.870 -0.344 0.000 1.087 195 L CA 1.954 56.579 54.840 -0.358 0.000 0.757 195 L CB -0.765 41.213 42.059 -0.135 0.000 0.896 195 L HN 0.234 nan 8.230 nan 0.000 0.434 196 K N -0.050 120.205 120.400 -0.241 0.000 2.044 196 K HA -0.097 4.218 4.320 -0.009 0.000 0.204 196 K C 2.058 178.505 176.600 -0.255 0.000 1.049 196 K CA 0.789 56.960 56.287 -0.193 0.000 0.945 196 K CB 0.121 32.555 32.500 -0.110 0.000 0.724 196 K HN 0.002 nan 8.250 nan 0.000 0.440 197 V N 0.934 120.653 119.914 -0.325 0.000 2.324 197 V HA -0.264 3.851 4.120 -0.009 0.000 0.250 197 V C 2.259 178.077 176.094 -0.460 0.000 1.060 197 V CA 1.689 63.744 62.300 -0.409 0.000 1.042 197 V CB -0.231 31.219 31.823 -0.621 0.000 0.650 197 V HN 0.172 nan 8.190 nan 0.000 0.450 198 V N -0.456 119.093 119.914 -0.608 0.000 2.307 198 V HA -0.263 3.852 4.120 -0.009 0.000 0.245 198 V C 2.405 178.289 176.094 -0.351 0.000 1.045 198 V CA 2.230 64.205 62.300 -0.540 0.000 1.024 198 V CB -0.669 30.709 31.823 -0.741 0.000 0.651 198 V HN 0.522 nan 8.190 nan 0.000 0.449 199 K N -0.129 120.080 120.400 -0.319 0.000 2.063 199 K HA -0.248 4.067 4.320 -0.009 0.000 0.208 199 K C 2.140 178.639 176.600 -0.168 0.000 1.048 199 K CA 2.015 58.170 56.287 -0.221 0.000 0.928 199 K CB -0.047 32.342 32.500 -0.185 0.000 0.713 199 K HN 0.583 nan 8.250 nan 0.000 0.442 200 E N 0.049 120.150 120.200 -0.166 0.000 2.033 200 E HA -0.107 4.237 4.350 -0.009 0.000 0.189 200 E C 1.876 178.414 176.600 -0.103 0.000 0.979 200 E CA 0.979 57.309 56.400 -0.116 0.000 0.802 200 E CB 0.160 29.798 29.700 -0.104 0.000 0.763 200 E HN 0.196 nan 8.360 nan 0.000 0.449 201 K N 0.789 121.112 120.400 -0.130 0.000 2.360 201 K HA -0.127 4.188 4.320 -0.009 0.000 0.201 201 K C 0.119 176.665 176.600 -0.090 0.000 1.046 201 K CA 0.716 56.944 56.287 -0.099 0.000 0.945 201 K CB -0.087 32.344 32.500 -0.115 0.000 0.750 201 K HN 0.032 nan 8.250 nan 0.000 0.464 202 D N 0.804 121.132 120.400 -0.120 0.000 2.755 202 D HA -0.110 4.524 4.640 -0.009 0.000 0.227 202 D C -2.462 173.782 176.300 -0.094 0.000 1.211 202 D CA 0.153 54.082 54.000 -0.119 0.000 0.663 202 D CB -0.109 40.639 40.800 -0.087 0.000 0.983 202 D HN 0.181 nan 8.370 nan 0.000 0.407 203 P HA 0.114 nan 4.420 nan 0.000 0.274 203 P C 0.419 177.696 177.300 -0.038 0.000 1.231 203 P CA -0.213 62.865 63.100 -0.037 0.000 0.790 203 P CB 0.825 32.526 31.700 0.001 0.000 0.951 204 D N 0.117 120.509 120.400 -0.012 0.000 2.249 204 D HA 0.023 4.658 4.640 -0.009 0.000 0.205 204 D C 0.290 176.615 176.300 0.041 0.000 0.962 204 D CA 1.192 55.195 54.000 0.005 0.000 0.860 204 D CB 0.396 41.213 40.800 0.028 0.000 0.955 204 D HN 0.128 nan 8.370 nan 0.000 0.505 205 V N 1.970 121.911 119.914 0.045 0.000 2.483 205 V HA 0.294 4.409 4.120 -0.009 0.000 0.297 205 V C -0.130 176.089 176.094 0.208 0.000 1.027 205 V CA -0.678 61.695 62.300 0.122 0.000 0.855 205 V CB 2.353 34.152 31.823 -0.040 0.000 0.995 205 V HN -0.066 nan 8.190 nan 0.000 0.424 206 L N 5.830 127.253 121.223 0.334 0.000 2.275 206 L HA 0.582 4.917 4.340 -0.009 0.000 0.288 206 L C -0.543 176.675 176.870 0.580 0.000 1.046 206 L CA -0.237 54.889 54.840 0.477 0.000 0.805 206 L CB 1.392 43.798 42.059 0.578 0.000 1.193 206 L HN 0.506 nan 8.230 nan 0.000 0.426 207 I N 2.961 123.832 120.570 0.502 0.000 2.330 207 I HA 0.363 4.528 4.170 -0.009 0.000 0.289 207 I C 0.449 176.705 176.117 0.232 0.000 1.001 207 I CA -0.189 61.366 61.300 0.424 0.000 1.193 207 I CB 1.660 39.905 38.000 0.407 0.000 1.345 207 I HN 0.625 nan 8.210 nan 0.000 0.461 208 T N 1.903 116.573 114.554 0.193 0.000 2.905 208 T HA 0.489 4.834 4.350 -0.009 0.000 0.283 208 T C -1.033 173.706 174.700 0.066 0.000 1.031 208 T CA -0.718 61.393 62.100 0.019 0.000 1.002 208 T CB 1.775 70.714 68.868 0.119 0.000 1.200 208 T HN 0.377 nan 8.240 nan 0.000 0.560 209 Y N 1.387 121.648 120.300 -0.064 0.000 2.526 209 Y HA 0.422 4.967 4.550 -0.009 0.000 0.328 209 Y C 0.509 176.398 175.900 -0.018 0.000 0.995 209 Y CA -0.432 57.639 58.100 -0.047 0.000 1.304 209 Y CB 0.172 38.596 38.460 -0.059 0.000 1.096 209 Y HN 0.988 nan 8.280 nan 0.000 0.499 210 N N 2.235 120.773 118.700 -0.270 0.000 2.882 210 N HA -0.167 4.568 4.740 -0.009 0.000 0.249 210 N C 1.107 176.667 175.510 0.084 0.000 1.079 210 N CA 1.086 54.020 53.050 -0.193 0.000 0.800 210 N CB -1.142 37.129 38.487 -0.361 0.000 1.124 210 N HN 0.959 nan 8.380 nan 0.000 0.557 211 G N -0.347 108.582 108.800 0.214 0.000 2.462 211 G HA2 -0.256 3.699 3.960 -0.009 0.000 0.220 211 G HA3 -0.256 3.699 3.960 -0.009 0.000 0.220 211 G C 1.129 176.329 174.900 0.499 0.000 1.121 211 G CA 1.091 46.432 45.100 0.402 0.000 0.758 211 G HN 0.491 nan 8.290 nan 0.000 0.559 212 D N 0.193 120.834 120.400 0.402 0.000 2.221 212 D HA -0.051 4.584 4.640 -0.009 0.000 0.204 212 D C 2.072 178.521 176.300 0.249 0.000 0.982 212 D CA 0.904 55.092 54.000 0.312 0.000 0.857 212 D CB -0.064 40.846 40.800 0.183 0.000 0.934 212 D HN 0.454 nan 8.370 nan 0.000 0.475 213 N N -2.140 116.683 118.700 0.205 0.000 2.382 213 N HA 0.106 4.841 4.740 -0.009 0.000 0.200 213 N C 0.623 176.266 175.510 0.221 0.000 1.122 213 N CA -0.224 52.929 53.050 0.171 0.000 0.870 213 N CB 0.844 39.394 38.487 0.106 0.000 1.176 213 N HN -0.026 nan 8.380 nan 0.000 0.474 214 F N 1.340 121.351 119.950 0.101 0.000 2.435 214 F HA 0.500 5.022 4.527 -0.009 0.000 0.227 214 F C 2.048 178.000 175.800 0.253 0.000 1.040 214 F CA 0.460 58.564 58.000 0.173 0.000 1.025 214 F CB -0.862 38.185 39.000 0.079 0.000 1.256 214 F HN -0.097 nan 8.300 nan 0.000 0.664 215 A N 0.784 123.599 122.820 -0.008 0.000 1.894 215 A HA -0.307 4.008 4.320 -0.009 0.000 0.220 215 A C 2.176 179.716 177.584 -0.073 0.000 1.237 215 A CA 2.593 54.509 52.037 -0.201 0.000 0.660 215 A CB -1.844 17.090 19.000 -0.109 0.000 0.835 215 A HN 0.534 nan 8.150 nan 0.000 0.461 216 F N -0.181 119.844 119.950 0.125 0.000 2.161 216 F HA -0.121 4.401 4.527 -0.009 0.000 0.300 216 F C 2.792 178.646 175.800 0.091 0.000 1.089 216 F CA 1.300 59.405 58.000 0.175 0.000 1.282 216 F CB -0.412 38.699 39.000 0.185 0.000 1.010 216 F HN 0.284 nan 8.300 nan 0.000 0.485 217 A N -1.368 121.612 122.820 0.266 0.000 1.929 217 A HA -0.179 4.135 4.320 -0.009 0.000 0.216 217 A C 1.974 179.667 177.584 0.181 0.000 1.176 217 A CA 1.034 53.202 52.037 0.219 0.000 0.628 217 A CB -1.217 17.890 19.000 0.179 0.000 0.816 217 A HN 0.421 nan 8.150 nan 0.000 0.444 218 Y N 0.492 120.769 120.300 -0.038 0.000 2.049 218 Y HA -0.222 4.322 4.550 -0.009 0.000 0.277 218 Y C 2.149 177.811 175.900 -0.397 0.000 1.143 218 Y CA 2.200 60.060 58.100 -0.401 0.000 1.115 218 Y CB -0.437 37.631 38.460 -0.654 0.000 0.975 218 Y HN 0.223 nan 8.280 nan 0.000 0.487 219 L N 0.321 121.420 121.223 -0.207 0.000 2.089 219 L HA -0.337 3.998 4.340 -0.009 0.000 0.213 219 L C 2.463 178.922 176.870 -0.686 0.000 1.079 219 L CA 2.095 56.628 54.840 -0.510 0.000 0.758 219 L CB -0.655 40.980 42.059 -0.707 0.000 0.891 219 L HN 0.217 nan 8.230 nan 0.000 0.433 220 K N 0.222 120.369 120.400 -0.422 0.000 2.002 220 K HA -0.218 4.097 4.320 -0.009 0.000 0.209 220 K C 2.519 178.976 176.600 -0.238 0.000 1.048 220 K CA 1.781 57.910 56.287 -0.264 0.000 0.930 220 K CB -0.088 32.396 32.500 -0.027 0.000 0.714 220 K HN -0.076 nan 8.250 nan 0.000 0.438 221 K N 0.494 120.744 120.400 -0.251 0.000 2.057 221 K HA -0.023 4.291 4.320 -0.009 0.000 0.207 221 K C 2.249 178.673 176.600 -0.293 0.000 1.049 221 K CA 1.396 57.527 56.287 -0.260 0.000 0.931 221 K CB -0.288 32.004 32.500 -0.346 0.000 0.714 221 K HN 0.321 nan 8.250 nan 0.000 0.440 222 R N 0.263 120.544 120.500 -0.366 0.000 2.073 222 R HA 0.018 4.353 4.340 -0.009 0.000 0.234 222 R C 2.627 178.788 176.300 -0.231 0.000 1.134 222 R CA 1.824 57.748 56.100 -0.294 0.000 0.952 222 R CB -1.010 29.128 30.300 -0.270 0.000 0.850 222 R HN 0.316 nan 8.270 nan 0.000 0.433 223 S N 1.179 116.720 115.700 -0.266 0.000 2.442 223 S HA -0.128 4.336 4.470 -0.009 0.000 0.236 223 S C 1.729 176.263 174.600 -0.110 0.000 1.007 223 S CA 1.167 59.257 58.200 -0.183 0.000 0.965 223 S CB -0.049 63.023 63.200 -0.214 0.000 0.773 223 S HN 0.399 nan 8.310 nan 0.000 0.504 224 E N 0.841 120.970 120.200 -0.119 0.000 2.076 224 E HA -0.060 4.285 4.350 -0.009 0.000 0.190 224 E C 2.270 178.820 176.600 -0.083 0.000 0.979 224 E CA 0.649 57.001 56.400 -0.080 0.000 0.807 224 E CB 0.083 29.740 29.700 -0.071 0.000 0.761 224 E HN 0.180 nan 8.360 nan 0.000 0.454 225 K N 0.170 120.503 120.400 -0.111 0.000 2.103 225 K HA -0.050 4.265 4.320 -0.009 0.000 0.207 225 K C 1.752 178.298 176.600 -0.090 0.000 1.048 225 K CA 0.990 57.216 56.287 -0.103 0.000 0.930 225 K CB -0.313 32.110 32.500 -0.129 0.000 0.716 225 K HN 0.257 nan 8.250 nan 0.000 0.444 226 L N -0.662 120.501 121.223 -0.099 0.000 2.769 226 L HA 0.395 4.730 4.340 -0.009 0.000 0.240 226 L C 1.078 177.910 176.870 -0.064 0.000 1.163 226 L CA 0.088 54.874 54.840 -0.089 0.000 0.962 226 L CB -0.071 41.918 42.059 -0.117 0.000 1.258 226 L HN 0.409 nan 8.230 nan 0.000 0.513 227 G N 1.597 110.365 108.800 -0.052 0.000 2.395 227 G HA2 -0.241 3.714 3.960 -0.009 0.000 0.300 227 G HA3 -0.241 3.714 3.960 -0.009 0.000 0.300 227 G C -0.040 174.848 174.900 -0.020 0.000 0.998 227 G CA 0.096 45.178 45.100 -0.031 0.000 1.046 227 G HN 0.171 nan 8.290 nan 0.000 0.513 228 V N 0.683 120.587 119.914 -0.016 0.000 2.383 228 V HA 0.284 4.399 4.120 -0.009 0.000 0.275 228 V C 0.793 176.921 176.094 0.056 0.000 1.036 228 V CA -0.720 61.589 62.300 0.016 0.000 0.889 228 V CB 1.494 33.328 31.823 0.019 0.000 0.985 228 V HN 0.395 nan 8.190 nan 0.000 0.459 229 K N 5.472 125.905 120.400 0.054 0.000 2.351 229 K HA 0.173 4.488 4.320 -0.009 0.000 0.287 229 K C -0.292 176.386 176.600 0.130 0.000 1.068 229 K CA -0.314 56.016 56.287 0.071 0.000 0.998 229 K CB -0.287 32.231 32.500 0.030 0.000 0.968 229 K HN 0.507 nan 8.250 nan 0.000 0.464 230 F N 4.476 124.416 119.950 -0.018 0.000 2.566 230 F HA 0.299 4.822 4.527 -0.008 0.000 0.349 230 F C -0.148 175.646 175.800 -0.011 0.000 1.245 230 F CA -1.533 56.461 58.000 -0.010 0.000 1.169 230 F CB -0.133 38.873 39.000 0.010 0.000 1.470 230 F HN 0.378 nan 8.300 nan 0.000 0.634 231 I N 8.118 128.556 120.570 -0.219 0.000 2.330 231 I HA 0.149 4.314 4.170 -0.009 0.000 0.286 231 I C 0.434 176.324 176.117 -0.378 0.000 1.025 231 I CA -0.104 61.051 61.300 -0.242 0.000 1.197 231 I CB 1.433 39.352 38.000 -0.134 0.000 1.358 231 I HN 0.649 nan 8.210 nan 0.000 0.467 232 L N 4.503 125.478 121.223 -0.413 0.000 2.717 232 L HA 0.282 4.617 4.340 -0.009 0.000 0.239 232 L C 1.521 178.238 176.870 -0.255 0.000 1.086 232 L CA 0.036 54.652 54.840 -0.373 0.000 0.897 232 L CB 0.361 42.186 42.059 -0.391 0.000 1.214 232 L HN 0.660 nan 8.230 nan 0.000 0.508 233 G N -0.197 108.475 108.800 -0.213 0.000 2.630 233 G HA2 -0.021 3.934 3.960 -0.009 0.000 0.236 233 G HA3 -0.021 3.934 3.960 -0.009 0.000 0.236 233 G C 0.591 175.374 174.900 -0.194 0.000 1.248 233 G CA -0.189 44.798 45.100 -0.189 0.000 0.844 233 G HN 0.177 nan 8.290 nan 0.000 0.588 234 R N -0.083 120.276 120.500 -0.235 0.000 2.275 234 R HA -0.007 4.328 4.340 -0.009 0.000 0.199 234 R C 1.132 177.383 176.300 -0.081 0.000 0.989 234 R CA 0.903 56.836 56.100 -0.279 0.000 1.016 234 R CB 0.297 30.184 30.300 -0.689 0.000 0.918 234 R HN 0.639 nan 8.270 nan 0.000 0.473 235 E N 0.025 120.224 120.200 -0.002 0.000 2.609 235 E HA 0.077 4.421 4.350 -0.009 0.000 0.208 235 E C -0.001 176.615 176.600 0.026 0.000 1.013 235 E CA -0.253 56.197 56.400 0.085 0.000 1.093 235 E CB -0.125 29.693 29.700 0.196 0.000 1.129 235 E HN 0.160 nan 8.360 nan 0.000 0.450 236 G N 1.370 110.153 108.800 -0.027 0.000 2.438 236 G HA2 -0.147 3.808 3.960 -0.009 0.000 0.272 236 G HA3 -0.147 3.808 3.960 -0.009 0.000 0.272 236 G C -0.124 174.752 174.900 -0.039 0.000 0.991 236 G CA 0.573 45.649 45.100 -0.041 0.000 1.348 236 G HN 1.035 nan 8.290 nan 0.000 0.483 237 S N -0.475 115.184 115.700 -0.069 0.000 2.587 237 S HA 0.754 5.218 4.470 -0.009 0.000 0.269 237 S C -0.639 173.908 174.600 -0.088 0.000 1.154 237 S CA -0.631 57.534 58.200 -0.058 0.000 0.824 237 S CB 1.780 64.954 63.200 -0.044 0.000 1.118 237 S HN 0.718 nan 8.310 nan 0.000 0.462 238 E N 0.686 120.856 120.200 -0.049 0.000 2.283 238 E HA 0.517 4.861 4.350 -0.009 0.000 0.267 238 E C -2.812 173.773 176.600 -0.024 0.000 1.045 238 E CA -2.399 53.981 56.400 -0.032 0.000 0.884 238 E CB -0.137 29.616 29.700 0.087 0.000 1.106 238 E HN 0.330 nan 8.360 nan 0.000 0.408 239 P HA -0.116 nan 4.420 nan 0.000 0.260 239 P C -0.881 176.421 177.300 0.004 0.000 1.172 239 P CA 0.534 63.637 63.100 0.004 0.000 0.760 239 P CB 0.288 32.112 31.700 0.208 0.000 0.773 240 K N 4.994 125.352 120.400 -0.070 0.000 2.250 240 K HA 0.247 4.561 4.320 -0.009 0.000 0.280 240 K C -0.160 176.433 176.600 -0.012 0.000 1.098 240 K CA -0.392 55.866 56.287 -0.049 0.000 0.916 240 K CB -0.158 32.278 32.500 -0.107 0.000 1.209 240 K HN 0.423 nan 8.250 nan 0.000 0.461 241 I N 4.125 124.719 120.570 0.039 0.000 2.452 241 I HA 0.029 4.194 4.170 -0.009 0.000 0.287 241 I C 0.195 176.396 176.117 0.140 0.000 1.079 241 I CA 0.082 61.435 61.300 0.088 0.000 1.387 241 I CB 0.884 38.915 38.000 0.052 0.000 1.404 241 I HN 0.585 nan 8.210 nan 0.000 0.522 242 Q N 4.456 124.385 119.800 0.214 0.000 2.365 242 Q HA 0.373 4.708 4.340 -0.009 0.000 0.269 242 Q C -0.817 175.351 176.000 0.280 0.000 1.061 242 Q CA -0.768 55.163 55.803 0.214 0.000 0.816 242 Q CB 2.316 31.165 28.738 0.185 0.000 1.325 242 Q HN 0.476 nan 8.270 nan 0.000 0.446 243 R N 3.486 124.106 120.500 0.200 0.000 2.207 243 R HA 0.360 4.694 4.340 -0.009 0.000 0.334 243 R C 0.424 176.753 176.300 0.049 0.000 1.013 243 R CA 0.093 56.245 56.100 0.087 0.000 0.858 243 R CB 0.445 30.773 30.300 0.047 0.000 1.094 243 R HN 0.813 nan 8.270 nan 0.000 0.457 244 M N 2.527 122.128 119.600 0.002 0.000 2.505 244 M HA 0.210 4.685 4.480 -0.009 0.000 0.230 244 M C 1.294 177.593 176.300 -0.001 0.000 1.153 244 M CA 0.956 56.275 55.300 0.031 0.000 0.997 244 M CB 0.542 33.160 32.600 0.030 0.000 1.606 244 M HN 1.033 nan 8.290 nan 0.000 0.481 245 G N 0.602 109.378 108.800 -0.040 0.000 2.979 245 G HA2 -0.318 3.637 3.960 -0.009 0.000 0.238 245 G HA3 -0.318 3.637 3.960 -0.009 0.000 0.238 245 G C 0.340 175.174 174.900 -0.109 0.000 1.805 245 G CA 0.382 45.455 45.100 -0.045 0.000 1.389 245 G HN 0.316 nan 8.290 nan 0.000 0.517 246 D N 0.816 121.154 120.400 -0.103 0.000 2.149 246 D HA 0.392 5.027 4.640 -0.009 0.000 0.206 246 D C 1.794 177.960 176.300 -0.224 0.000 0.967 246 D CA 3.068 56.991 54.000 -0.128 0.000 0.848 246 D CB -0.243 40.514 40.800 -0.072 0.000 0.998 246 D HN 1.184 nan 8.370 nan 0.000 0.474 247 R N -1.883 118.490 120.500 -0.212 0.000 2.893 247 R HA 0.764 5.098 4.340 -0.009 0.000 0.245 247 R C -0.806 175.285 176.300 -0.348 0.000 1.192 247 R CA -0.869 55.069 56.100 -0.270 0.000 1.077 247 R CB -0.408 29.849 30.300 -0.072 0.000 1.253 247 R HN 0.285 nan 8.270 nan 0.000 0.505 248 F N -0.726 119.243 119.950 0.032 0.000 2.440 248 F HA 0.841 5.363 4.527 -0.009 0.000 0.328 248 F C 0.758 176.605 175.800 0.078 0.000 1.070 248 F CA -0.542 57.494 58.000 0.061 0.000 1.011 248 F CB 2.131 41.166 39.000 0.058 0.000 1.226 248 F HN 0.972 nan 8.300 nan 0.000 0.491 249 A N 1.092 124.117 122.820 0.343 0.000 2.449 249 A HA 0.793 5.107 4.320 -0.009 0.000 0.302 249 A C -1.672 176.157 177.584 0.409 0.000 1.048 249 A CA -0.705 51.527 52.037 0.324 0.000 0.708 249 A CB 1.420 20.582 19.000 0.270 0.000 1.274 249 A HN 0.495 nan 8.150 nan 0.000 0.410 250 V N 1.573 121.726 119.914 0.398 0.000 2.459 250 V HA 0.509 4.624 4.120 -0.009 0.000 0.295 250 V C -0.003 176.249 176.094 0.263 0.000 1.029 250 V CA -0.433 61.977 62.300 0.183 0.000 0.874 250 V CB 1.414 33.127 31.823 -0.183 0.000 0.985 250 V HN 0.984 nan 8.190 nan 0.000 0.438 251 E N 2.922 123.103 120.200 -0.031 0.000 2.195 251 E HA 0.675 5.019 4.350 -0.009 0.000 0.271 251 E C -1.580 174.866 176.600 -0.257 0.000 0.923 251 E CA -0.554 55.694 56.400 -0.252 0.000 0.790 251 E CB 2.130 31.489 29.700 -0.569 0.000 1.155 251 E HN 0.478 nan 8.360 nan 0.000 0.402 252 V N 5.467 125.252 119.914 -0.216 0.000 2.349 252 V HA 0.226 4.341 4.120 -0.009 0.000 0.284 252 V C -0.245 175.699 176.094 -0.250 0.000 1.014 252 V CA -1.030 61.157 62.300 -0.189 0.000 0.826 252 V CB 1.219 32.992 31.823 -0.082 0.000 1.009 252 V HN 0.622 nan 8.190 nan 0.000 0.431 253 K N 2.930 123.161 120.400 -0.282 0.000 2.484 253 K HA 0.213 4.528 4.320 -0.009 0.000 0.280 253 K C 1.391 177.723 176.600 -0.446 0.000 1.013 253 K CA 1.133 57.186 56.287 -0.391 0.000 1.029 253 K CB 0.454 32.788 32.500 -0.277 0.000 0.902 253 K HN 1.153 nan 8.250 nan 0.000 0.481 254 G N 2.959 111.310 108.800 -0.750 0.000 2.205 254 G HA2 -0.314 3.640 3.960 -0.009 0.000 0.261 254 G HA3 -0.314 3.640 3.960 -0.009 0.000 0.261 254 G C 0.300 174.997 174.900 -0.338 0.000 0.980 254 G CA 0.454 45.230 45.100 -0.540 0.000 0.632 254 G HN 0.573 nan 8.290 nan 0.000 0.533 255 R N -0.957 119.379 120.500 -0.273 0.000 3.006 255 R HA 0.808 5.142 4.340 -0.009 0.000 0.235 255 R C -0.461 175.835 176.300 -0.007 0.000 1.362 255 R CA -1.033 55.001 56.100 -0.112 0.000 1.067 255 R CB 1.083 31.338 30.300 -0.076 0.000 1.396 255 R HN 0.152 nan 8.270 nan 0.000 0.504 256 I N 1.197 121.844 120.570 0.127 0.000 2.390 256 I HA 0.164 4.329 4.170 -0.009 0.000 0.283 256 I C -0.157 176.206 176.117 0.410 0.000 1.016 256 I CA -0.365 61.096 61.300 0.267 0.000 1.151 256 I CB 1.200 39.377 38.000 0.294 0.000 1.293 256 I HN 0.442 nan 8.210 nan 0.000 0.458 257 H N 7.201 126.499 119.070 0.380 0.000 2.944 257 H HA 0.125 4.675 4.556 -0.009 0.000 0.278 257 H C -1.398 174.195 175.328 0.442 0.000 1.083 257 H CA -0.432 55.855 56.048 0.398 0.000 1.479 257 H CB 0.639 30.573 29.762 0.287 0.000 1.486 257 H HN 0.446 nan 8.280 nan 0.000 0.493 258 F N 6.526 126.565 119.950 0.148 0.000 2.313 258 F HA 0.156 4.678 4.527 -0.009 0.000 0.369 258 F C -0.566 175.157 175.800 -0.130 0.000 1.109 258 F CA -1.212 56.791 58.000 0.005 0.000 1.132 258 F CB 0.497 39.653 39.000 0.259 0.000 1.291 258 F HN 0.541 nan 8.300 nan 0.000 0.496 259 D N 5.993 125.997 120.400 -0.659 0.000 2.313 259 D HA 0.139 4.773 4.640 -0.009 0.000 0.239 259 D C 1.133 176.996 176.300 -0.729 0.000 1.142 259 D CA 0.032 53.683 54.000 -0.582 0.000 0.847 259 D CB 1.022 41.522 40.800 -0.500 0.000 1.082 259 D HN 0.679 nan 8.370 nan 0.000 0.480 260 L N 3.822 124.661 121.223 -0.640 0.000 2.141 260 L HA -0.169 4.166 4.340 -0.009 0.000 0.209 260 L C 1.888 178.432 176.870 -0.544 0.000 1.094 260 L CA 0.749 55.211 54.840 -0.629 0.000 0.763 260 L CB -0.363 41.552 42.059 -0.240 0.000 0.908 260 L HN 0.554 nan 8.230 nan 0.000 0.437 261 Y N 1.831 121.664 120.300 -0.779 0.000 2.114 261 Y HA -0.154 4.390 4.550 -0.009 0.000 0.284 261 Y C -0.447 175.139 175.900 -0.523 0.000 1.143 261 Y CA 1.565 59.166 58.100 -0.832 0.000 1.135 261 Y CB -1.432 36.436 38.460 -0.987 0.000 0.980 261 Y HN 0.112 nan 8.280 nan 0.000 0.499 262 P HA -0.151 nan 4.420 nan 0.000 0.220 262 P C 1.802 178.851 177.300 -0.419 0.000 1.148 262 P CA 1.667 64.496 63.100 -0.453 0.000 0.803 262 P CB -0.059 31.470 31.700 -0.284 0.000 0.782 263 V N 0.020 119.700 119.914 -0.390 0.000 2.323 263 V HA -0.186 3.928 4.120 -0.009 0.000 0.244 263 V C 2.611 178.538 176.094 -0.279 0.000 1.041 263 V CA 1.499 63.644 62.300 -0.257 0.000 1.025 263 V CB -0.985 30.738 31.823 -0.166 0.000 0.656 263 V HN -0.033 nan 8.190 nan 0.000 0.451 264 I N -0.118 120.182 120.570 -0.451 0.000 2.394 264 I HA -0.207 3.958 4.170 -0.009 0.000 0.251 264 I C 2.624 178.561 176.117 -0.300 0.000 1.136 264 I CA 1.530 62.599 61.300 -0.384 0.000 1.425 264 I CB -0.299 37.483 38.000 -0.364 0.000 1.079 264 I HN 0.197 nan 8.210 nan 0.000 0.425 265 R N 0.661 120.808 120.500 -0.587 0.000 2.115 265 R HA -0.059 4.276 4.340 -0.009 0.000 0.226 265 R C 2.377 178.434 176.300 -0.404 0.000 1.100 265 R CA 1.030 56.650 56.100 -0.799 0.000 0.980 265 R CB -0.065 29.465 30.300 -1.284 0.000 0.875 265 R HN 0.194 nan 8.270 nan 0.000 0.445 266 R N -0.718 119.608 120.500 -0.291 0.000 2.090 266 R HA -0.035 4.300 4.340 -0.009 0.000 0.228 266 R C 1.879 178.148 176.300 -0.052 0.000 1.110 266 R CA 1.879 57.891 56.100 -0.147 0.000 0.973 266 R CB -0.089 30.138 30.300 -0.121 0.000 0.869 266 R HN 0.236 nan 8.270 nan 0.000 0.440 267 T N 1.182 115.729 114.554 -0.011 0.000 2.770 267 T HA 0.022 4.367 4.350 -0.009 0.000 0.263 267 T C 0.996 175.753 174.700 0.094 0.000 1.039 267 T CA 1.115 63.268 62.100 0.089 0.000 1.142 267 T CB 0.021 69.036 68.868 0.246 0.000 0.868 267 T HN 0.251 nan 8.240 nan 0.000 0.435 268 I N -1.171 119.464 120.570 0.109 0.000 2.689 268 I HA 0.625 4.789 4.170 -0.009 0.000 0.299 268 I C -1.004 175.217 176.117 0.172 0.000 1.059 268 I CA -1.296 60.081 61.300 0.129 0.000 1.055 268 I CB 1.659 39.742 38.000 0.138 0.000 1.243 268 I HN -0.305 nan 8.210 nan 0.000 0.425 269 N N 4.067 122.820 118.700 0.089 0.000 2.514 269 N HA 0.688 5.422 4.740 -0.009 0.000 0.277 269 N C -1.174 174.286 175.510 -0.082 0.000 1.126 269 N CA 0.016 53.093 53.050 0.045 0.000 0.978 269 N CB 1.249 39.730 38.487 -0.009 0.000 1.106 269 N HN 0.553 nan 8.380 nan 0.000 0.461 270 L N 3.735 124.802 121.223 -0.260 0.000 2.672 270 L HA 0.364 4.699 4.340 -0.009 0.000 0.256 270 L C -1.812 174.732 176.870 -0.544 0.000 0.946 270 L CA -1.018 53.530 54.840 -0.487 0.000 0.889 270 L CB 2.116 43.738 42.059 -0.729 0.000 1.441 270 L HN 0.388 nan 8.230 nan 0.000 0.418 271 P HA -0.010 nan 4.420 nan 0.000 0.225 271 P C 0.647 177.778 177.300 -0.281 0.000 1.156 271 P CA 1.207 64.133 63.100 -0.289 0.000 0.787 271 P CB 0.758 32.308 31.700 -0.249 0.000 0.802 272 T N -3.231 111.098 114.554 -0.374 0.000 3.321 272 T HA 0.085 4.429 4.350 -0.009 0.000 0.251 272 T C -0.339 174.351 174.700 -0.017 0.000 0.999 272 T CA 0.151 62.147 62.100 -0.173 0.000 1.186 272 T CB -0.277 68.514 68.868 -0.128 0.000 1.163 272 T HN -0.176 nan 8.240 nan 0.000 0.399 273 Y N 2.491 122.833 120.300 0.069 0.000 3.380 273 Y HA -0.153 4.392 4.550 -0.009 0.000 0.211 273 Y C 0.521 176.541 175.900 0.200 0.000 1.394 273 Y CA 0.290 58.488 58.100 0.164 0.000 1.479 273 Y CB -2.828 35.785 38.460 0.256 0.000 1.483 273 Y HN 0.538 nan 8.280 nan 0.000 0.566 274 T N -3.385 111.267 114.554 0.164 0.000 2.874 274 T HA 0.483 4.827 4.350 -0.009 0.000 0.281 274 T C 1.083 175.744 174.700 -0.066 0.000 0.994 274 T CA -0.461 61.676 62.100 0.062 0.000 1.015 274 T CB 1.630 70.492 68.868 -0.010 0.000 1.028 274 T HN 0.199 nan 8.240 nan 0.000 0.523 275 L N 1.103 122.170 121.223 -0.260 0.000 2.042 275 L HA -0.090 4.245 4.340 -0.009 0.000 0.210 275 L C 2.703 179.458 176.870 -0.190 0.000 1.076 275 L CA 1.844 56.411 54.840 -0.454 0.000 0.749 275 L CB -0.731 41.034 42.059 -0.490 0.000 0.893 275 L HN 0.848 nan 8.230 nan 0.000 0.432 276 E N -0.527 119.612 120.200 -0.102 0.000 2.216 276 E HA -0.100 4.244 4.350 -0.009 0.000 0.192 276 E C 2.080 178.703 176.600 0.038 0.000 0.988 276 E CA 1.009 57.401 56.400 -0.013 0.000 0.834 276 E CB -0.634 29.055 29.700 -0.020 0.000 0.772 276 E HN 0.549 nan 8.360 nan 0.000 0.479 277 A N 1.994 124.817 122.820 0.005 0.000 1.855 277 A HA -0.080 4.234 4.320 -0.009 0.000 0.215 277 A C 2.636 180.242 177.584 0.038 0.000 1.191 277 A CA 1.518 53.559 52.037 0.007 0.000 0.613 277 A CB -0.862 18.121 19.000 -0.027 0.000 0.829 277 A HN 0.119 nan 8.150 nan 0.000 0.442 278 V N -1.238 118.708 119.914 0.053 0.000 2.255 278 V HA -0.305 3.809 4.120 -0.009 0.000 0.247 278 V C 2.402 178.581 176.094 0.142 0.000 1.051 278 V CA 2.290 64.647 62.300 0.096 0.000 1.018 278 V CB -1.091 30.782 31.823 0.083 0.000 0.641 278 V HN 0.697 nan 8.190 nan 0.000 0.445 279 Y N 1.064 121.371 120.300 0.012 0.000 2.207 279 Y HA -0.290 4.254 4.550 -0.009 0.000 0.287 279 Y C 2.589 178.566 175.900 0.128 0.000 1.156 279 Y CA 2.329 60.471 58.100 0.070 0.000 1.182 279 Y CB -0.202 38.240 38.460 -0.030 0.000 0.979 279 Y HN 0.437 nan 8.280 nan 0.000 0.521 280 E N -0.206 120.040 120.200 0.076 0.000 2.028 280 E HA -0.160 4.184 4.350 -0.009 0.000 0.191 280 E C 2.367 178.952 176.600 -0.025 0.000 0.988 280 E CA 1.255 57.654 56.400 -0.001 0.000 0.799 280 E CB -0.463 29.265 29.700 0.047 0.000 0.755 280 E HN 0.462 nan 8.360 nan 0.000 0.447 281 A N 1.075 123.899 122.820 0.007 0.000 1.927 281 A HA -0.207 4.108 4.320 -0.009 0.000 0.220 281 A C 2.126 179.711 177.584 0.001 0.000 1.185 281 A CA 1.764 53.804 52.037 0.006 0.000 0.639 281 A CB -0.592 18.422 19.000 0.023 0.000 0.820 281 A HN 0.403 nan 8.150 nan 0.000 0.451 282 I N -3.345 117.242 120.570 0.027 0.000 2.585 282 I HA 0.049 4.214 4.170 -0.009 0.000 0.254 282 I C 1.759 177.769 176.117 -0.177 0.000 1.129 282 I CA 1.142 62.443 61.300 0.002 0.000 1.455 282 I CB -0.973 37.145 38.000 0.197 0.000 1.111 282 I HN 0.303 nan 8.210 nan 0.000 0.433 283 F N 0.274 120.067 119.950 -0.261 0.000 2.720 283 F HA 0.372 4.894 4.527 -0.009 0.000 0.301 283 F C 1.766 177.407 175.800 -0.265 0.000 1.103 283 F CA 0.716 58.514 58.000 -0.336 0.000 1.291 283 F CB 0.869 39.460 39.000 -0.683 0.000 1.086 283 F HN 0.201 nan 8.300 nan 0.000 0.592 284 G N -0.154 108.602 108.800 -0.073 0.000 4.391 284 G HA2 -0.269 3.686 3.960 -0.009 0.000 0.210 284 G HA3 -0.269 3.686 3.960 -0.009 0.000 0.210 284 G C 0.184 175.073 174.900 -0.018 0.000 1.547 284 G CA -0.441 44.638 45.100 -0.035 0.000 1.103 284 G HN 0.172 nan 8.290 nan 0.000 0.637 285 Q N 3.093 122.895 119.800 0.003 0.000 2.479 285 Q HA 0.474 4.809 4.340 -0.009 0.000 0.267 285 Q C -1.950 174.126 176.000 0.126 0.000 1.071 285 Q CA -0.036 55.813 55.803 0.076 0.000 0.935 285 Q CB 0.595 29.419 28.738 0.143 0.000 1.295 285 Q HN 0.502 nan 8.270 nan 0.000 0.476 286 P HA 0.255 nan 4.420 nan 0.000 0.281 286 P C -1.414 175.989 177.300 0.172 0.000 1.281 286 P CA -0.656 62.528 63.100 0.141 0.000 0.811 286 P CB 0.768 32.514 31.700 0.077 0.000 1.154 287 K N 0.701 121.172 120.400 0.119 0.000 2.450 287 K HA 0.154 4.469 4.320 -0.009 0.000 0.257 287 K C -0.291 176.320 176.600 0.019 0.000 0.953 287 K CA -0.440 55.862 56.287 0.025 0.000 0.844 287 K CB 0.862 33.319 32.500 -0.072 0.000 1.103 287 K HN 0.352 nan 8.250 nan 0.000 0.429 288 E N 4.143 124.356 120.200 0.022 0.000 2.271 288 E HA -0.059 4.285 4.350 -0.009 0.000 0.255 288 E C -0.573 176.039 176.600 0.020 0.000 1.177 288 E CA 0.223 56.636 56.400 0.022 0.000 0.946 288 E CB 0.469 30.185 29.700 0.026 0.000 1.009 288 E HN 0.345 nan 8.360 nan 0.000 0.451 289 K N 2.320 122.685 120.400 -0.059 0.000 2.355 289 K HA 0.104 4.419 4.320 -0.009 0.000 0.270 289 K C -1.070 175.267 176.600 -0.438 0.000 1.003 289 K CA -0.191 55.957 56.287 -0.232 0.000 0.957 289 K CB 0.879 33.123 32.500 -0.427 0.000 0.939 289 K HN 0.148 nan 8.250 nan 0.000 0.482 290 V N 5.519 124.881 119.914 -0.921 0.000 2.443 290 V HA 0.276 4.390 4.120 -0.009 0.000 0.293 290 V C -0.947 174.699 176.094 -0.745 0.000 1.021 290 V CA -0.801 61.044 62.300 -0.758 0.000 0.848 290 V CB 0.630 31.985 31.823 -0.780 0.000 0.998 290 V HN 0.690 nan 8.190 nan 0.000 0.424 291 Y N 2.104 122.215 120.300 -0.314 0.000 2.281 291 Y HA 0.410 4.954 4.550 -0.009 0.000 0.337 291 Y C 1.651 177.455 175.900 -0.161 0.000 1.304 291 Y CA 0.581 58.555 58.100 -0.211 0.000 1.465 291 Y CB 0.838 39.219 38.460 -0.131 0.000 1.350 291 Y HN 0.647 nan 8.280 nan 0.000 0.575 292 A N 0.694 123.563 122.820 0.081 0.000 1.855 292 A HA -0.168 4.147 4.320 -0.009 0.000 0.215 292 A C 1.837 179.476 177.584 0.091 0.000 1.191 292 A CA 1.842 53.916 52.037 0.061 0.000 0.613 292 A CB -0.616 18.442 19.000 0.097 0.000 0.829 292 A HN 0.864 nan 8.150 nan 0.000 0.442 293 E N -0.278 119.994 120.200 0.120 0.000 2.160 293 E HA -0.177 4.168 4.350 -0.009 0.000 0.195 293 E C 1.870 178.512 176.600 0.071 0.000 0.991 293 E CA 1.309 57.766 56.400 0.095 0.000 0.810 293 E CB -0.169 29.577 29.700 0.076 0.000 0.742 293 E HN 0.814 nan 8.360 nan 0.000 0.466 294 E N -0.167 120.070 120.200 0.063 0.000 2.285 294 E HA -0.091 4.253 4.350 -0.009 0.000 0.194 294 E C 1.744 178.363 176.600 0.031 0.000 0.997 294 E CA 0.417 56.843 56.400 0.043 0.000 0.845 294 E CB 0.093 29.822 29.700 0.048 0.000 0.782 294 E HN 0.274 nan 8.360 nan 0.000 0.491 295 I N 0.526 121.107 120.570 0.019 0.000 2.296 295 I HA -0.132 4.033 4.170 -0.009 0.000 0.242 295 I C 2.506 178.661 176.117 0.063 0.000 1.087 295 I CA 0.816 62.124 61.300 0.013 0.000 1.393 295 I CB -0.228 37.750 38.000 -0.037 0.000 1.093 295 I HN 0.115 nan 8.210 nan 0.000 0.421 296 A N 0.090 122.941 122.820 0.051 0.000 1.948 296 A HA -0.328 3.987 4.320 -0.009 0.000 0.220 296 A C 2.125 179.817 177.584 0.180 0.000 1.177 296 A CA 2.064 54.163 52.037 0.103 0.000 0.636 296 A CB -0.695 18.342 19.000 0.062 0.000 0.815 296 A HN 0.437 nan 8.150 nan 0.000 0.449 297 Q N -0.391 119.486 119.800 0.129 0.000 1.895 297 Q HA -0.107 4.227 4.340 -0.009 0.000 0.217 297 Q C 2.227 178.294 176.000 0.111 0.000 1.003 297 Q CA 2.540 58.407 55.803 0.106 0.000 0.871 297 Q CB -0.762 28.018 28.738 0.070 0.000 0.941 297 Q HN 0.579 nan 8.270 nan 0.000 0.421 298 A N 0.041 122.921 122.820 0.101 0.000 2.093 298 A HA -0.232 4.083 4.320 -0.009 0.000 0.222 298 A C 1.919 179.581 177.584 0.130 0.000 1.162 298 A CA 1.710 53.803 52.037 0.092 0.000 0.655 298 A CB -1.216 17.834 19.000 0.085 0.000 0.805 298 A HN 0.782 nan 8.150 nan 0.000 0.461 299 W N 0.113 121.388 121.300 -0.042 0.000 2.488 299 W HA -0.060 4.594 4.660 -0.009 0.000 0.304 299 W C 1.828 178.315 176.519 -0.054 0.000 1.175 299 W CA 1.444 58.745 57.345 -0.073 0.000 1.365 299 W CB -0.093 29.321 29.460 -0.076 0.000 1.131 299 W HN 0.497 nan 8.180 nan 0.000 0.520 300 E N -0.278 120.014 120.200 0.154 0.000 2.150 300 E HA -0.152 4.193 4.350 -0.009 0.000 0.193 300 E C 2.039 178.627 176.600 -0.019 0.000 0.985 300 E CA 1.915 58.347 56.400 0.054 0.000 0.814 300 E CB -0.218 29.562 29.700 0.135 0.000 0.752 300 E HN 0.083 nan 8.360 nan 0.000 0.466 301 T N -1.160 113.391 114.554 -0.004 0.000 2.698 301 T HA 0.007 4.351 4.350 -0.009 0.000 0.260 301 T C 1.542 176.195 174.700 -0.078 0.000 1.044 301 T CA 1.373 63.456 62.100 -0.028 0.000 1.149 301 T CB -0.256 68.610 68.868 -0.004 0.000 0.864 301 T HN 0.444 nan 8.240 nan 0.000 0.419 302 G N 0.497 109.239 108.800 -0.096 0.000 2.176 302 G HA2 -0.030 3.924 3.960 -0.009 0.000 0.232 302 G HA3 -0.030 3.924 3.960 -0.009 0.000 0.232 302 G C -0.060 174.793 174.900 -0.078 0.000 0.986 302 G CA 0.402 45.420 45.100 -0.137 0.000 0.643 302 G HN 0.926 nan 8.290 nan 0.000 0.522 303 E N -0.002 120.174 120.200 -0.040 0.000 2.179 303 E HA 0.759 5.104 4.350 -0.009 0.000 0.275 303 E C 1.392 177.990 176.600 -0.003 0.000 0.945 303 E CA 0.222 56.608 56.400 -0.022 0.000 0.792 303 E CB 0.900 nan 29.700 nan 0.000 1.125 303 E HN 2.140 nan 8.360 nan 0.000 0.397 304 G N 1.005 109.805 108.800 -0.001 0.000 2.221 304 G HA2 -0.243 3.712 3.960 -0.009 0.000 0.265 304 G HA3 -0.243 3.712 3.960 -0.009 0.000 0.265 304 G C 0.937 175.852 174.900 0.025 0.000 1.041 304 G CA 0.476 45.582 45.100 0.011 0.000 0.807 304 G HN 0.747 nan 8.290 nan 0.000 0.502 305 L N -0.810 120.426 121.223 0.021 0.000 2.240 305 L HA 0.057 4.392 4.340 -0.009 0.000 0.211 305 L C 2.703 179.600 176.870 0.043 0.000 1.106 305 L CA 1.265 56.132 54.840 0.045 0.000 0.793 305 L CB -0.212 41.863 42.059 0.027 0.000 0.927 305 L HN 0.423 nan 8.230 nan 0.000 0.446 306 E N -0.109 120.104 120.200 0.022 0.000 2.150 306 E HA -0.248 4.097 4.350 -0.009 0.000 0.193 306 E C 2.103 178.733 176.600 0.049 0.000 0.985 306 E CA 0.721 57.133 56.400 0.021 0.000 0.814 306 E CB 0.048 29.747 29.700 -0.001 0.000 0.752 306 E HN 0.373 nan 8.360 nan 0.000 0.466 307 R N 0.930 121.457 120.500 0.045 0.000 2.075 307 R HA -0.146 4.188 4.340 -0.009 0.000 0.230 307 R C 2.320 178.667 176.300 0.078 0.000 1.140 307 R CA 1.621 57.753 56.100 0.053 0.000 0.928 307 R CB -0.383 29.936 30.300 0.031 0.000 0.834 307 R HN -0.018 nan 8.270 nan 0.000 0.429 308 V N 1.335 121.291 119.914 0.070 0.000 2.453 308 V HA -0.271 3.844 4.120 -0.009 0.000 0.252 308 V C 2.437 178.617 176.094 0.143 0.000 1.068 308 V CA 1.962 64.317 62.300 0.092 0.000 1.070 308 V CB -0.850 31.019 31.823 0.076 0.000 0.664 308 V HN 0.605 nan 8.190 nan 0.000 0.461 309 A N -0.344 122.552 122.820 0.126 0.000 1.930 309 A HA -0.141 4.173 4.320 -0.009 0.000 0.215 309 A C 2.491 180.184 177.584 0.181 0.000 1.176 309 A CA 1.479 53.604 52.037 0.147 0.000 0.632 309 A CB -0.479 18.599 19.000 0.130 0.000 0.819 309 A HN 0.353 nan 8.150 nan 0.000 0.445 310 R N -1.684 118.923 120.500 0.179 0.000 2.105 310 R HA -0.172 4.162 4.340 -0.009 0.000 0.239 310 R C 2.045 178.383 176.300 0.064 0.000 1.135 310 R CA 1.924 58.108 56.100 0.140 0.000 0.967 310 R CB -1.447 28.927 30.300 0.123 0.000 0.861 310 R HN 0.844 nan 8.270 nan 0.000 0.442 311 Y N 0.267 120.547 120.300 -0.033 0.000 2.114 311 Y HA -0.138 4.407 4.550 -0.009 0.000 0.284 311 Y C 2.781 178.624 175.900 -0.094 0.000 1.143 311 Y CA 2.035 60.087 58.100 -0.079 0.000 1.135 311 Y CB -0.959 37.455 38.460 -0.077 0.000 0.980 311 Y HN 0.261 nan 8.280 nan 0.000 0.499 312 S N 0.067 115.709 115.700 -0.097 0.000 2.368 312 S HA -0.238 4.226 4.470 -0.009 0.000 0.225 312 S C 2.091 176.574 174.600 -0.195 0.000 1.030 312 S CA 1.828 59.922 58.200 -0.177 0.000 0.999 312 S CB -0.575 62.606 63.200 -0.032 0.000 0.844 312 S HN 0.648 nan 8.310 nan 0.000 0.459 313 M N 1.091 120.598 119.600 -0.155 0.000 2.296 313 M HA 0.085 4.560 4.480 -0.009 0.000 0.265 313 M C 1.518 177.637 176.300 -0.302 0.000 1.064 313 M CA 1.697 56.839 55.300 -0.263 0.000 1.109 313 M CB -0.670 31.643 32.600 -0.477 0.000 1.396 313 M HN 0.188 nan 8.290 nan 0.000 0.430 314 E N 0.470 120.492 120.200 -0.296 0.000 2.076 314 E HA -0.140 4.204 4.350 -0.009 0.000 0.190 314 E C 1.630 178.009 176.600 -0.369 0.000 0.979 314 E CA 0.987 57.193 56.400 -0.324 0.000 0.807 314 E CB -0.175 29.349 29.700 -0.294 0.000 0.761 314 E HN 0.548 nan 8.360 nan 0.000 0.454 315 D N 0.775 120.910 120.400 -0.442 0.000 2.149 315 D HA -0.200 4.435 4.640 -0.009 0.000 0.194 315 D C 1.790 177.939 176.300 -0.252 0.000 1.001 315 D CA 1.524 55.275 54.000 -0.415 0.000 0.849 315 D CB -0.169 40.346 40.800 -0.475 0.000 0.939 315 D HN 0.184 nan 8.370 nan 0.000 0.449 316 A N 0.252 122.953 122.820 -0.199 0.000 1.897 316 A HA -0.130 4.185 4.320 -0.009 0.000 0.215 316 A C 2.085 179.628 177.584 -0.068 0.000 1.181 316 A CA 1.351 53.333 52.037 -0.092 0.000 0.620 316 A CB -0.304 18.649 19.000 -0.078 0.000 0.821 316 A HN 0.109 nan 8.150 nan 0.000 0.443 317 K N -0.274 120.038 120.400 -0.147 0.000 2.025 317 K HA -0.066 4.249 4.320 -0.009 0.000 0.207 317 K C 1.917 178.468 176.600 -0.081 0.000 1.049 317 K CA 1.445 57.666 56.287 -0.109 0.000 0.933 317 K CB -0.267 32.120 32.500 -0.187 0.000 0.714 317 K HN 0.213 nan 8.250 nan 0.000 0.438 318 V N 1.096 120.873 119.914 -0.227 0.000 2.255 318 V HA -0.276 3.839 4.120 -0.009 0.000 0.247 318 V C 2.145 178.194 176.094 -0.076 0.000 1.051 318 V CA 2.371 64.496 62.300 -0.292 0.000 1.018 318 V CB -0.598 30.888 31.823 -0.561 0.000 0.641 318 V HN 0.495 nan 8.190 nan 0.000 0.445 319 T N -0.993 113.530 114.554 -0.053 0.000 2.737 319 T HA -0.270 4.075 4.350 -0.009 0.000 0.269 319 T C 1.685 176.484 174.700 0.164 0.000 1.040 319 T CA 2.226 64.356 62.100 0.051 0.000 1.142 319 T CB -0.399 68.489 68.868 0.034 0.000 0.861 319 T HN 0.603 nan 8.240 nan 0.000 0.456 320 Y N 1.890 122.219 120.300 0.049 0.000 2.133 320 Y HA -0.100 4.445 4.550 -0.009 0.000 0.287 320 Y C 2.290 178.268 175.900 0.129 0.000 1.134 320 Y CA 1.380 59.537 58.100 0.094 0.000 1.133 320 Y CB -0.352 38.143 38.460 0.057 0.000 0.987 320 Y HN 0.261 nan 8.280 nan 0.000 0.502 321 E N 0.142 120.361 120.200 0.032 0.000 2.077 321 E HA -0.212 4.132 4.350 -0.009 0.000 0.193 321 E C 2.224 178.936 176.600 0.186 0.000 0.989 321 E CA 1.565 57.957 56.400 -0.014 0.000 0.800 321 E CB -0.338 29.300 29.700 -0.104 0.000 0.746 321 E HN 0.470 nan 8.360 nan 0.000 0.452 322 L N 0.349 121.733 121.223 0.267 0.000 2.012 322 L HA -0.175 4.160 4.340 -0.009 0.000 0.210 322 L C 2.580 179.738 176.870 0.480 0.000 1.073 322 L CA 1.410 56.519 54.840 0.448 0.000 0.748 322 L CB -0.840 41.407 42.059 0.314 0.000 0.891 322 L HN 0.263 nan 8.230 nan 0.000 0.431 323 G N -0.249 108.751 108.800 0.333 0.000 2.491 323 G HA2 -0.294 3.661 3.960 -0.009 0.000 0.218 323 G HA3 -0.294 3.661 3.960 -0.009 0.000 0.218 323 G C 1.670 176.768 174.900 0.330 0.000 1.180 323 G CA 0.784 46.151 45.100 0.445 0.000 0.774 323 G HN 0.266 nan 8.290 nan 0.000 0.562 324 K N -0.010 120.415 120.400 0.041 0.000 2.152 324 K HA -0.103 4.211 4.320 -0.009 0.000 0.206 324 K C 2.401 179.072 176.600 0.117 0.000 1.048 324 K CA 1.319 57.588 56.287 -0.030 0.000 0.933 324 K CB -0.026 32.343 32.500 -0.220 0.000 0.721 324 K HN 0.313 nan 8.250 nan 0.000 0.447 325 E N 0.111 120.454 120.200 0.238 0.000 2.046 325 E HA -0.087 4.258 4.350 -0.009 0.000 0.190 325 E C 1.449 178.082 176.600 0.055 0.000 0.982 325 E CA 1.287 57.787 56.400 0.167 0.000 0.800 325 E CB -0.050 29.745 29.700 0.158 0.000 0.756 325 E HN 0.171 nan 8.360 nan 0.000 0.449 326 F N -1.037 119.060 119.950 0.245 0.000 2.473 326 F HA 0.126 4.648 4.527 -0.009 0.000 0.294 326 F C 1.738 177.634 175.800 0.159 0.000 1.103 326 F CA 0.203 58.357 58.000 0.257 0.000 1.442 326 F CB -0.288 38.913 39.000 0.335 0.000 1.097 326 F HN 0.040 nan 8.300 nan 0.000 0.547 327 F N 2.297 122.291 119.950 0.073 0.000 2.069 327 F HA -0.147 4.374 4.527 -0.010 0.000 0.298 327 F C -0.624 174.961 175.800 -0.358 0.000 1.113 327 F CA 1.641 59.433 58.000 -0.348 0.000 1.214 327 F CB -1.620 37.152 39.000 -0.381 0.000 0.978 327 F HN -0.133 nan 8.300 nan 0.000 0.474 328 P HA -0.188 nan 4.420 nan 0.000 0.222 328 P C 1.615 178.544 177.300 -0.619 0.000 1.147 328 P CA 1.467 64.203 63.100 -0.606 0.000 0.790 328 P CB -0.237 30.746 31.700 -1.195 0.000 0.780 329 M N -0.044 119.270 119.600 -0.477 0.000 2.123 329 M HA -0.083 4.391 4.480 -0.009 0.000 0.263 329 M C 1.709 177.917 176.300 -0.153 0.000 1.069 329 M CA 1.866 57.087 55.300 -0.130 0.000 1.133 329 M CB -0.885 31.747 32.600 0.053 0.000 1.356 329 M HN -0.301 nan 8.290 nan 0.000 0.415 330 E N 0.550 120.614 120.200 -0.226 0.000 2.106 330 E HA -0.071 4.274 4.350 -0.009 0.000 0.192 330 E C 2.164 178.543 176.600 -0.367 0.000 0.984 330 E CA 1.390 57.633 56.400 -0.261 0.000 0.806 330 E CB -0.869 28.657 29.700 -0.291 0.000 0.750 330 E HN 0.645 nan 8.360 nan 0.000 0.458 331 A N 1.590 124.085 122.820 -0.542 0.000 1.908 331 A HA -0.233 4.082 4.320 -0.009 0.000 0.218 331 A C 2.151 179.616 177.584 -0.198 0.000 1.181 331 A CA 1.421 53.212 52.037 -0.410 0.000 0.627 331 A CB -0.347 18.425 19.000 -0.381 0.000 0.818 331 A HN 0.124 nan 8.150 nan 0.000 0.445 332 Q N -0.371 119.334 119.800 -0.159 0.000 2.046 332 Q HA -0.064 4.271 4.340 -0.009 0.000 0.200 332 Q C 2.238 178.207 176.000 -0.052 0.000 0.975 332 Q CA 1.224 56.984 55.803 -0.072 0.000 0.836 332 Q CB -0.470 28.252 28.738 -0.028 0.000 0.896 332 Q HN 0.732 nan 8.270 nan 0.000 0.428 333 L N 0.581 121.765 121.223 -0.065 0.000 2.079 333 L HA -0.214 4.121 4.340 -0.009 0.000 0.210 333 L C 2.463 179.315 176.870 -0.030 0.000 1.081 333 L CA 1.075 55.889 54.840 -0.043 0.000 0.752 333 L CB -0.472 41.558 42.059 -0.048 0.000 0.896 333 L HN 0.123 nan 8.230 nan 0.000 0.433 334 S N -0.334 115.324 115.700 -0.069 0.000 2.356 334 S HA -0.175 4.290 4.470 -0.009 0.000 0.223 334 S C 2.017 176.610 174.600 -0.012 0.000 1.032 334 S CA 1.191 59.360 58.200 -0.052 0.000 1.005 334 S CB -0.258 62.885 63.200 -0.096 0.000 0.867 334 S HN 0.380 nan 8.310 nan 0.000 0.449 335 R N 0.238 120.728 120.500 -0.015 0.000 2.105 335 R HA -0.018 4.317 4.340 -0.009 0.000 0.239 335 R C 1.988 178.319 176.300 0.051 0.000 1.135 335 R CA 0.940 57.047 56.100 0.011 0.000 0.967 335 R CB -0.359 29.944 30.300 0.005 0.000 0.861 335 R HN 0.229 nan 8.270 nan 0.000 0.442 336 L N -0.256 121.008 121.223 0.068 0.000 2.095 336 L HA -0.057 4.278 4.340 -0.009 0.000 0.204 336 L C 2.042 179.074 176.870 0.270 0.000 1.080 336 L CA 1.402 56.326 54.840 0.140 0.000 0.759 336 L CB -0.236 41.868 42.059 0.076 0.000 0.914 336 L HN -0.052 nan 8.230 nan 0.000 0.439 337 V N -0.654 119.387 119.914 0.211 0.000 2.788 337 V HA 0.200 4.315 4.120 -0.009 0.000 0.251 337 V C 1.501 177.700 176.094 0.174 0.000 1.068 337 V CA 0.947 63.415 62.300 0.279 0.000 1.090 337 V CB -0.603 31.340 31.823 0.199 0.000 0.710 337 V HN 0.641 nan 8.190 nan 0.000 0.467 338 G N 0.476 109.332 108.800 0.094 0.000 2.204 338 G HA2 -0.173 3.782 3.960 -0.009 0.000 0.244 338 G HA3 -0.173 3.782 3.960 -0.009 0.000 0.244 338 G C -0.115 174.794 174.900 0.014 0.000 1.062 338 G CA 0.055 45.182 45.100 0.045 0.000 0.798 338 G HN 0.438 nan 8.290 nan 0.000 0.496 339 Q N -0.347 119.445 119.800 -0.012 0.000 2.484 339 Q HA 0.670 5.005 4.340 -0.009 0.000 0.285 339 Q C 0.532 176.498 176.000 -0.056 0.000 1.097 339 Q CA -0.075 55.678 55.803 -0.082 0.000 0.802 339 Q CB 1.640 30.259 28.738 -0.198 0.000 1.444 339 Q HN 0.859 nan 8.270 nan 0.000 0.429 340 S N -0.155 115.518 115.700 -0.047 0.000 2.568 340 S HA 0.054 4.519 4.470 -0.009 0.000 0.282 340 S C 1.088 175.701 174.600 0.021 0.000 1.338 340 S CA -0.320 57.888 58.200 0.014 0.000 1.045 340 S CB 0.293 63.529 63.200 0.059 0.000 0.873 340 S HN 0.720 nan 8.310 nan 0.000 0.516 341 L N 2.463 123.696 121.223 0.016 0.000 2.362 341 L HA 0.069 4.403 4.340 -0.009 0.000 0.219 341 L C 1.850 178.738 176.870 0.031 0.000 1.134 341 L CA 1.020 55.830 54.840 -0.050 0.000 0.807 341 L CB -0.227 41.737 42.059 -0.159 0.000 0.927 341 L HN 0.967 nan 8.230 nan 0.000 0.447 342 W N 0.556 121.830 121.300 -0.043 0.000 2.381 342 W HA -0.176 4.480 4.660 -0.007 0.000 0.301 342 W C 2.103 178.594 176.519 -0.047 0.000 1.205 342 W CA 1.527 58.859 57.345 -0.022 0.000 1.285 342 W CB 0.117 29.561 29.460 -0.027 0.000 1.133 342 W HN 0.178 nan 8.180 nan 0.000 0.521 343 D N -0.219 120.290 120.400 0.181 0.000 2.085 343 D HA -0.175 4.459 4.640 -0.009 0.000 0.199 343 D C 2.364 178.592 176.300 -0.120 0.000 0.981 343 D CA 1.962 55.964 54.000 0.003 0.000 0.834 343 D CB -0.865 39.919 40.800 -0.027 0.000 0.992 343 D HN 0.048 nan 8.370 nan 0.000 0.457 344 V N 1.922 121.783 119.914 -0.089 0.000 2.252 344 V HA -0.273 3.842 4.120 -0.009 0.000 0.249 344 V C 2.574 178.609 176.094 -0.098 0.000 1.056 344 V CA 2.292 64.543 62.300 -0.082 0.000 1.022 344 V CB -0.882 30.899 31.823 -0.071 0.000 0.641 344 V HN 0.268 nan 8.190 nan 0.000 0.445 345 S N -0.272 115.361 115.700 -0.112 0.000 2.500 345 S HA -0.144 4.320 4.470 -0.009 0.000 0.239 345 S C 1.794 176.285 174.600 -0.181 0.000 0.989 345 S CA 1.169 59.320 58.200 -0.082 0.000 0.951 345 S CB -0.380 62.858 63.200 0.063 0.000 0.759 345 S HN 0.624 nan 8.310 nan 0.000 0.523 346 R N 0.416 120.762 120.500 -0.256 0.000 2.397 346 R HA 0.367 4.701 4.340 -0.009 0.000 0.241 346 R C -0.184 176.013 176.300 -0.172 0.000 0.914 346 R CA -0.092 55.836 56.100 -0.288 0.000 1.071 346 R CB 0.559 30.568 30.300 -0.486 0.000 1.116 346 R HN 0.216 nan 8.270 nan 0.000 0.524 347 S N 0.429 116.062 115.700 -0.112 0.000 2.616 347 S HA 0.210 4.675 4.470 -0.009 0.000 0.277 347 S C 0.093 174.667 174.600 -0.044 0.000 1.234 347 S CA -0.658 57.518 58.200 -0.040 0.000 1.028 347 S CB 1.581 64.784 63.200 0.006 0.000 0.988 347 S HN 0.304 nan 8.310 nan 0.000 0.522 348 S N 1.024 116.711 115.700 -0.022 0.000 2.614 348 S HA 0.166 4.630 4.470 -0.009 0.000 0.265 348 S C 1.572 176.143 174.600 -0.047 0.000 1.303 348 S CA -0.050 58.119 58.200 -0.051 0.000 1.000 348 S CB 0.690 63.851 63.200 -0.065 0.000 0.935 348 S HN 0.821 nan 8.310 nan 0.000 0.551 349 T N -1.248 113.259 114.554 -0.077 0.000 2.867 349 T HA 0.016 4.361 4.350 -0.009 0.000 0.268 349 T C 2.034 176.670 174.700 -0.108 0.000 1.057 349 T CA 1.118 63.167 62.100 -0.085 0.000 1.136 349 T CB -1.446 67.371 68.868 -0.085 0.000 0.874 349 T HN 0.852 nan 8.240 nan 0.000 0.466 350 G N 1.571 110.281 108.800 -0.150 0.000 2.469 350 G HA2 -0.306 3.649 3.960 -0.009 0.000 0.219 350 G HA3 -0.306 3.649 3.960 -0.009 0.000 0.219 350 G C 1.752 176.687 174.900 0.058 0.000 1.150 350 G CA 0.847 45.859 45.100 -0.146 0.000 0.763 350 G HN 0.533 nan 8.290 nan 0.000 0.561 351 N N -0.061 118.678 118.700 0.065 0.000 2.354 351 N HA 0.075 4.809 4.740 -0.009 0.000 0.179 351 N C 2.340 177.982 175.510 0.219 0.000 1.021 351 N CA 0.309 53.477 53.050 0.195 0.000 0.887 351 N CB 0.040 38.656 38.487 0.216 0.000 0.974 351 N HN 0.316 nan 8.380 nan 0.000 0.437 352 L N 0.217 121.492 121.223 0.087 0.000 2.027 352 L HA -0.104 4.230 4.340 -0.009 0.000 0.206 352 L C 2.350 179.218 176.870 -0.002 0.000 1.074 352 L CA 0.698 55.585 54.840 0.079 0.000 0.745 352 L CB -0.575 41.477 42.059 -0.013 0.000 0.898 352 L HN -0.087 nan 8.230 nan 0.000 0.433 353 V N 0.197 119.961 119.914 -0.250 0.000 2.282 353 V HA -0.339 3.776 4.120 -0.009 0.000 0.249 353 V C 2.547 178.385 176.094 -0.425 0.000 1.057 353 V CA 2.222 64.152 62.300 -0.616 0.000 1.032 353 V CB -0.515 30.577 31.823 -1.218 0.000 0.645 353 V HN 0.460 nan 8.190 nan 0.000 0.447 354 E N -0.696 119.350 120.200 -0.258 0.000 2.049 354 E HA -0.267 4.078 4.350 -0.009 0.000 0.198 354 E C 1.907 178.459 176.600 -0.081 0.000 1.007 354 E CA 2.303 58.668 56.400 -0.057 0.000 0.809 354 E CB -0.357 29.397 29.700 0.091 0.000 0.749 354 E HN 0.676 nan 8.360 nan 0.000 0.450 355 W N -0.546 120.821 121.300 0.111 0.000 2.381 355 W HA -0.059 4.596 4.660 -0.009 0.000 0.301 355 W C 2.107 178.691 176.519 0.109 0.000 1.205 355 W CA 0.862 58.279 57.345 0.120 0.000 1.285 355 W CB -0.637 28.882 29.460 0.099 0.000 1.133 355 W HN 0.136 nan 8.180 nan 0.000 0.521 356 F N 0.816 120.840 119.950 0.123 0.000 2.043 356 F HA -0.299 4.223 4.527 -0.009 0.000 0.297 356 F C 2.132 177.917 175.800 -0.025 0.000 1.121 356 F CA 2.023 60.040 58.000 0.029 0.000 1.199 356 F CB -0.840 38.130 39.000 -0.049 0.000 0.968 356 F HN -0.256 nan 8.300 nan 0.000 0.478 357 L N -0.259 120.954 121.223 -0.016 0.000 2.042 357 L HA -0.274 4.061 4.340 -0.009 0.000 0.210 357 L C 2.594 179.408 176.870 -0.093 0.000 1.076 357 L CA 1.360 56.039 54.840 -0.268 0.000 0.749 357 L CB -0.866 40.825 42.059 -0.613 0.000 0.893 357 L HN 0.278 nan 8.230 nan 0.000 0.432 358 L N -0.443 120.836 121.223 0.093 0.000 2.042 358 L HA -0.263 4.071 4.340 -0.009 0.000 0.210 358 L C 2.893 179.882 176.870 0.198 0.000 1.076 358 L CA 1.373 56.345 54.840 0.219 0.000 0.749 358 L CB -0.417 41.660 42.059 0.029 0.000 0.893 358 L HN 0.278 nan 8.230 nan 0.000 0.432 359 R N 0.015 120.583 120.500 0.115 0.000 2.073 359 R HA -0.164 4.171 4.340 -0.009 0.000 0.234 359 R C 2.318 178.651 176.300 0.055 0.000 1.134 359 R CA 1.288 57.434 56.100 0.076 0.000 0.952 359 R CB 0.031 30.323 30.300 -0.013 0.000 0.850 359 R HN 0.135 nan 8.270 nan 0.000 0.433 360 K N 0.345 120.686 120.400 -0.099 0.000 2.103 360 K HA -0.017 4.298 4.320 -0.009 0.000 0.204 360 K C 2.072 178.776 176.600 0.173 0.000 1.052 360 K CA 1.102 57.343 56.287 -0.077 0.000 0.945 360 K CB -0.355 31.944 32.500 -0.335 0.000 0.722 360 K HN 0.286 nan 8.250 nan 0.000 0.443 361 A N 0.993 123.979 122.820 0.278 0.000 1.903 361 A HA -0.261 4.054 4.320 -0.009 0.000 0.219 361 A C 2.213 179.905 177.584 0.179 0.000 1.191 361 A CA 1.844 54.038 52.037 0.261 0.000 0.638 361 A CB -0.978 18.260 19.000 0.397 0.000 0.823 361 A HN 0.402 nan 8.150 nan 0.000 0.451 362 Y N 0.497 120.866 120.300 0.115 0.000 2.114 362 Y HA -0.199 4.346 4.550 -0.009 0.000 0.284 362 Y C 2.368 178.305 175.900 0.061 0.000 1.143 362 Y CA 2.228 60.387 58.100 0.099 0.000 1.135 362 Y CB -0.339 38.198 38.460 0.129 0.000 0.980 362 Y HN 0.473 nan 8.280 nan 0.000 0.499 363 E N -0.098 120.245 120.200 0.239 0.000 2.208 363 E HA -0.274 4.071 4.350 -0.009 0.000 0.202 363 E C 1.420 178.030 176.600 0.016 0.000 1.014 363 E CA 1.496 57.968 56.400 0.120 0.000 0.819 363 E CB -0.193 29.556 29.700 0.081 0.000 0.735 363 E HN 0.532 nan 8.360 nan 0.000 0.469 364 R N 0.359 120.865 120.500 0.010 0.000 2.546 364 R HA 0.075 4.410 4.340 -0.009 0.000 0.320 364 R C 0.022 176.266 176.300 -0.092 0.000 1.021 364 R CA -0.079 56.013 56.100 -0.014 0.000 1.088 364 R CB 0.077 30.417 30.300 0.067 0.000 1.278 364 R HN 0.035 nan 8.270 nan 0.000 0.557 365 N N 2.403 121.001 118.700 -0.169 0.000 2.714 365 N HA -0.229 4.505 4.740 -0.009 0.000 0.253 365 N C -1.234 174.166 175.510 -0.184 0.000 1.024 365 N CA 0.815 53.731 53.050 -0.224 0.000 0.726 365 N CB -0.715 37.656 38.487 -0.194 0.000 0.908 365 N HN 0.429 nan 8.380 nan 0.000 0.542 366 E N 0.563 120.670 120.200 -0.155 0.000 2.182 366 E HA 0.443 4.788 4.350 -0.009 0.000 0.258 366 E C -0.735 175.796 176.600 -0.115 0.000 0.879 366 E CA -0.878 55.419 56.400 -0.171 0.000 0.754 366 E CB 0.600 30.140 29.700 -0.268 0.000 1.162 366 E HN 0.377 nan 8.360 nan 0.000 0.419 367 L N 3.755 124.883 121.223 -0.159 0.000 2.499 367 L HA 0.396 4.731 4.340 -0.009 0.000 0.273 367 L C -0.279 176.546 176.870 -0.074 0.000 1.195 367 L CA 0.454 55.198 54.840 -0.160 0.000 0.882 367 L CB 0.561 42.462 42.059 -0.263 0.000 1.133 367 L HN 0.692 nan 8.230 nan 0.000 0.483 368 A N 7.117 129.918 122.820 -0.031 0.000 2.366 368 A HA 0.607 4.921 4.320 -0.009 0.000 0.272 368 A C -2.271 175.207 177.584 -0.176 0.000 1.135 368 A CA -1.461 50.450 52.037 -0.211 0.000 0.804 368 A CB -0.388 18.544 19.000 -0.113 0.000 1.064 368 A HN 0.662 nan 8.150 nan 0.000 0.499 369 P HA -0.029 nan 4.420 nan 0.000 0.269 369 P C -0.262 176.991 177.300 -0.079 0.000 1.205 369 P CA 0.135 63.147 63.100 -0.147 0.000 0.780 369 P CB 0.423 31.798 31.700 -0.542 0.000 0.858 370 N N 0.941 119.678 118.700 0.061 0.000 2.458 370 N HA 0.217 4.951 4.740 -0.009 0.000 0.271 370 N C 0.206 175.678 175.510 -0.064 0.000 1.210 370 N CA -0.500 52.522 53.050 -0.046 0.000 0.978 370 N CB 0.585 39.072 38.487 -0.001 0.000 1.206 370 N HN 0.274 nan 8.380 nan 0.000 0.536 371 K N 0.933 121.286 120.400 -0.078 0.000 2.234 371 K HA 0.155 4.470 4.320 -0.009 0.000 0.251 371 K C -2.005 174.570 176.600 -0.041 0.000 1.011 371 K CA -0.788 55.463 56.287 -0.060 0.000 0.889 371 K CB -0.066 32.407 32.500 -0.045 0.000 1.011 371 K HN 0.404 nan 8.250 nan 0.000 0.505 372 P HA 0.002 nan 4.420 nan 0.000 0.276 372 P C -1.160 176.112 177.300 -0.047 0.000 1.230 372 P CA -0.327 62.724 63.100 -0.080 0.000 0.776 372 P CB 0.603 32.208 31.700 -0.157 0.000 0.888 373 D N 0.815 121.199 120.400 -0.028 0.000 2.372 373 D HA 0.096 4.731 4.640 -0.009 0.000 0.243 373 D C 1.547 177.825 176.300 -0.037 0.000 1.297 373 D CA 0.143 54.131 54.000 -0.020 0.000 0.958 373 D CB -0.196 40.596 40.800 -0.013 0.000 1.114 373 D HN 0.375 nan 8.370 nan 0.000 0.496 374 E N -0.419 119.764 120.200 -0.028 0.000 2.153 374 E HA -0.198 4.147 4.350 -0.009 0.000 0.194 374 E C 2.108 178.686 176.600 -0.037 0.000 0.988 374 E CA 1.697 58.077 56.400 -0.033 0.000 0.811 374 E CB -0.574 29.112 29.700 -0.022 0.000 0.746 374 E HN 0.565 nan 8.360 nan 0.000 0.466 375 R N -0.704 119.777 120.500 -0.031 0.000 2.090 375 R HA -0.042 4.293 4.340 -0.009 0.000 0.219 375 R C 2.490 178.767 176.300 -0.038 0.000 1.100 375 R CA 1.143 57.226 56.100 -0.028 0.000 0.991 375 R CB 0.022 30.311 30.300 -0.017 0.000 0.893 375 R HN 0.351 nan 8.270 nan 0.000 0.443 376 E N 1.219 121.395 120.200 -0.042 0.000 2.171 376 E HA -0.206 4.138 4.350 -0.009 0.000 0.197 376 E C 1.737 178.270 176.600 -0.111 0.000 0.997 376 E CA 1.183 57.548 56.400 -0.058 0.000 0.810 376 E CB -0.341 29.332 29.700 -0.046 0.000 0.738 376 E HN 0.371 nan 8.360 nan 0.000 0.467 377 L N -0.335 120.819 121.223 -0.114 0.000 1.948 377 L HA -0.206 4.128 4.340 -0.009 0.000 0.212 377 L C 2.325 179.119 176.870 -0.127 0.000 1.074 377 L CA 1.758 56.507 54.840 -0.152 0.000 0.753 377 L CB -0.712 41.272 42.059 -0.124 0.000 0.888 377 L HN 0.299 nan 8.230 nan 0.000 0.432 378 A N -0.469 122.303 122.820 -0.080 0.000 1.948 378 A HA -0.286 4.028 4.320 -0.009 0.000 0.220 378 A C 2.363 179.924 177.584 -0.039 0.000 1.177 378 A CA 1.872 53.877 52.037 -0.053 0.000 0.636 378 A CB -0.740 18.240 19.000 -0.034 0.000 0.815 378 A HN 0.476 nan 8.150 nan 0.000 0.449 379 R N -0.467 120.009 120.500 -0.040 0.000 2.083 379 R HA -0.172 4.163 4.340 -0.009 0.000 0.237 379 R C 2.459 178.750 176.300 -0.015 0.000 1.137 379 R CA 1.936 58.025 56.100 -0.018 0.000 0.951 379 R CB -0.258 30.033 30.300 -0.014 0.000 0.851 379 R HN 0.602 nan 8.270 nan 0.000 0.434 380 R N -0.429 120.022 120.500 -0.083 0.000 2.073 380 R HA -0.113 4.222 4.340 -0.009 0.000 0.234 380 R C 2.481 178.779 176.300 -0.004 0.000 1.134 380 R CA 1.533 57.569 56.100 -0.106 0.000 0.952 380 R CB -0.405 29.612 30.300 -0.472 0.000 0.850 380 R HN 0.171 nan 8.270 nan 0.000 0.433 381 R N 1.539 122.013 120.500 -0.043 0.000 2.127 381 R HA -0.186 4.148 4.340 -0.009 0.000 0.238 381 R C 2.038 178.372 176.300 0.056 0.000 1.134 381 R CA 1.972 58.070 56.100 -0.003 0.000 0.975 381 R CB -0.032 30.238 30.300 -0.049 0.000 0.865 381 R HN 0.459 nan 8.270 nan 0.000 0.447 382 E N -1.032 119.198 120.200 0.051 0.000 2.358 382 E HA -0.083 4.262 4.350 -0.009 0.000 0.195 382 E C 0.856 177.523 176.600 0.111 0.000 1.010 382 E CA 0.971 57.413 56.400 0.070 0.000 0.856 382 E CB 0.074 29.801 29.700 0.045 0.000 0.795 382 E HN 0.059 nan 8.360 nan 0.000 0.504 383 S N 0.117 115.896 115.700 0.133 0.000 2.596 383 S HA 0.080 4.544 4.470 -0.009 0.000 0.248 383 S C -0.912 173.807 174.600 0.199 0.000 1.162 383 S CA -0.820 57.468 58.200 0.147 0.000 1.185 383 S CB -0.527 62.762 63.200 0.149 0.000 0.833 383 S HN 0.395 nan 8.310 nan 0.000 0.472 384 Y N 1.954 122.300 120.300 0.076 0.000 2.308 384 Y HA 0.632 5.177 4.550 -0.009 0.000 0.329 384 Y C -0.179 175.762 175.900 0.068 0.000 1.111 384 Y CA -0.623 57.525 58.100 0.080 0.000 1.179 384 Y CB 0.956 39.455 38.460 0.066 0.000 1.201 384 Y HN 0.361 nan 8.280 nan 0.000 0.483 385 A N 4.009 126.398 122.820 -0.718 0.000 2.498 385 A HA 0.744 5.059 4.320 -0.009 0.000 0.298 385 A C -0.161 176.916 177.584 -0.845 0.000 1.075 385 A CA -0.226 51.448 52.037 -0.605 0.000 0.714 385 A CB 0.972 19.838 19.000 -0.222 0.000 1.299 385 A HN 1.029 nan 8.150 nan 0.000 0.407 386 G N 0.013 108.540 108.800 -0.456 0.000 2.666 386 G HA2 0.581 4.536 3.960 -0.009 0.000 0.207 386 G HA3 0.581 4.536 3.960 -0.009 0.000 0.207 386 G C 0.464 175.325 174.900 -0.064 0.000 1.481 386 G CA 0.108 45.074 45.100 -0.223 0.000 1.071 386 G HN 1.394 nan 8.290 nan 0.000 0.572 387 G N -2.159 106.672 108.800 0.051 0.000 3.212 387 G HA2 0.441 4.396 3.960 -0.009 0.000 0.188 387 G HA3 0.441 4.396 3.960 -0.009 0.000 0.188 387 G C -1.342 173.682 174.900 0.206 0.000 1.254 387 G CA -0.851 44.355 45.100 0.178 0.000 0.957 387 G HN 0.541 nan 8.290 nan 0.000 0.596 388 Y N 1.166 121.574 120.300 0.178 0.000 2.496 388 Y HA 0.381 4.925 4.550 -0.009 0.000 0.334 388 Y C 0.447 176.407 175.900 0.100 0.000 1.080 388 Y CA -0.406 57.771 58.100 0.129 0.000 1.355 388 Y CB 0.497 39.044 38.460 0.144 0.000 1.193 388 Y HN 0.334 nan 8.280 nan 0.000 0.523 389 V N 3.861 123.450 119.914 -0.542 0.000 2.769 389 V HA 0.753 4.867 4.120 -0.009 0.000 0.312 389 V C -0.981 174.643 176.094 -0.783 0.000 1.058 389 V CA -1.166 60.835 62.300 -0.498 0.000 0.952 389 V CB 1.719 33.408 31.823 -0.224 0.000 1.019 389 V HN 0.827 nan 8.190 nan 0.000 0.445 390 K N 1.365 121.473 120.400 -0.487 0.000 2.557 390 K HA 0.433 4.747 4.320 -0.009 0.000 0.257 390 K C -0.975 175.515 176.600 -0.183 0.000 0.933 390 K CA -0.464 55.622 56.287 -0.336 0.000 0.820 390 K CB 2.199 34.533 32.500 -0.276 0.000 1.330 390 K HN 0.747 nan 8.250 nan 0.000 0.432 391 E N 4.171 124.312 120.200 -0.099 0.000 2.360 391 E HA 0.187 4.531 4.350 -0.009 0.000 0.269 391 E C -2.148 174.451 176.600 -0.003 0.000 1.022 391 E CA -1.617 54.766 56.400 -0.029 0.000 0.887 391 E CB 0.630 30.327 29.700 -0.006 0.000 0.990 391 E HN 0.503 nan 8.360 nan 0.000 0.426 392 P HA 0.185 nan 4.420 nan 0.000 0.282 392 P C -0.314 177.068 177.300 0.137 0.000 1.259 392 P CA -0.543 62.630 63.100 0.122 0.000 0.826 392 P CB 1.055 32.926 31.700 0.284 0.000 1.064 393 E N 1.811 122.101 120.200 0.150 0.000 2.373 393 E HA 0.141 4.486 4.350 -0.009 0.000 0.267 393 E C 0.460 177.282 176.600 0.370 0.000 1.032 393 E CA 0.025 56.585 56.400 0.267 0.000 0.889 393 E CB 0.718 30.604 29.700 0.309 0.000 0.984 393 E HN 0.336 nan 8.360 nan 0.000 0.425 394 R N 0.314 120.972 120.500 0.264 0.000 2.726 394 R HA 0.493 4.828 4.340 -0.009 0.000 0.272 394 R C 0.669 177.016 176.300 0.079 0.000 1.097 394 R CA 0.394 56.559 56.100 0.108 0.000 1.198 394 R CB 0.371 30.670 30.300 -0.002 0.000 1.114 394 R HN 0.757 nan 8.270 nan 0.000 0.550 395 G N -0.105 108.534 108.800 -0.269 0.000 2.707 395 G HA2 -0.159 3.796 3.960 -0.009 0.000 0.686 395 G HA3 -0.159 3.796 3.960 -0.009 0.000 0.686 395 G C -1.664 173.066 174.900 -0.284 0.000 1.315 395 G CA -0.759 44.105 45.100 -0.392 0.000 0.832 395 G HN 0.478 nan 8.290 nan 0.000 0.573 396 L N 0.218 121.350 121.223 -0.151 0.000 2.262 396 L HA 0.822 5.157 4.340 -0.009 0.000 0.288 396 L C -0.285 176.520 176.870 -0.108 0.000 1.035 396 L CA -0.844 54.047 54.840 0.084 0.000 0.820 396 L CB 0.344 42.571 42.059 0.280 0.000 1.204 396 L HN 0.586 nan 8.230 nan 0.000 0.424 397 W N 3.636 125.064 121.300 0.214 0.000 2.497 397 W HA 0.605 5.260 4.660 -0.009 0.000 0.359 397 W C -0.024 176.587 176.519 0.154 0.000 1.131 397 W CA -0.496 56.960 57.345 0.186 0.000 1.280 397 W CB 1.040 30.639 29.460 0.231 0.000 1.319 397 W HN 0.390 nan 8.180 nan 0.000 0.626 398 E N 1.112 121.556 120.200 0.406 0.000 2.299 398 E HA 0.181 4.526 4.350 -0.009 0.000 0.265 398 E C -0.730 176.016 176.600 0.243 0.000 0.911 398 E CA -0.940 55.615 56.400 0.258 0.000 0.789 398 E CB 1.360 31.180 29.700 0.200 0.000 1.246 398 E HN 0.403 nan 8.360 nan 0.000 0.427 399 N N 1.384 120.183 118.700 0.164 0.000 2.629 399 N HA -0.194 4.541 4.740 -0.009 0.000 0.278 399 N C -0.858 174.763 175.510 0.184 0.000 1.102 399 N CA 0.962 54.126 53.050 0.191 0.000 0.759 399 N CB -1.199 37.552 38.487 0.439 0.000 0.911 399 N HN 0.420 nan 8.380 nan 0.000 0.553 400 I N -0.024 120.508 120.570 -0.064 0.000 2.377 400 I HA 0.377 4.542 4.170 -0.009 0.000 0.293 400 I C 0.979 177.208 176.117 0.186 0.000 0.987 400 I CA -1.269 60.134 61.300 0.173 0.000 1.185 400 I CB 1.646 39.824 38.000 0.297 0.000 1.341 400 I HN 0.006 nan 8.210 nan 0.000 0.455 401 V N 3.435 123.533 119.914 0.307 0.000 2.713 401 V HA 0.479 4.594 4.120 -0.009 0.000 0.307 401 V C -1.119 174.964 176.094 -0.020 0.000 1.052 401 V CA -0.726 61.694 62.300 0.200 0.000 0.967 401 V CB 1.625 33.597 31.823 0.250 0.000 1.019 401 V HN 0.640 nan 8.190 nan 0.000 0.459 402 Y N 3.783 123.864 120.300 -0.365 0.000 2.364 402 Y HA 0.783 5.327 4.550 -0.009 0.000 0.340 402 Y C -0.807 174.653 175.900 -0.734 0.000 0.975 402 Y CA -1.052 56.650 58.100 -0.663 0.000 1.089 402 Y CB 1.617 39.701 38.460 -0.626 0.000 1.192 402 Y HN 0.768 nan 8.280 nan 0.000 0.454 403 L N 5.356 125.584 121.223 -1.657 0.000 2.362 403 L HA 0.402 4.737 4.340 -0.009 0.000 0.271 403 L C -1.177 174.860 176.870 -1.389 0.000 1.002 403 L CA -1.099 52.993 54.840 -1.247 0.000 0.818 403 L CB 1.956 43.365 42.059 -1.083 0.000 1.298 403 L HN 0.562 nan 8.230 nan 0.000 0.420 404 D N 1.112 121.074 120.400 -0.731 0.000 2.233 404 D HA 0.297 4.932 4.640 -0.009 0.000 0.240 404 D C 0.193 176.347 176.300 -0.243 0.000 1.074 404 D CA -0.120 53.601 54.000 -0.466 0.000 0.838 404 D CB 1.197 41.905 40.800 -0.154 0.000 1.124 404 D HN 0.319 nan 8.370 nan 0.000 0.475 405 F N 1.771 121.672 119.950 -0.081 0.000 2.754 405 F HA 0.153 4.675 4.527 -0.009 0.000 0.297 405 F C 2.211 177.932 175.800 -0.132 0.000 1.122 405 F CA -0.424 57.506 58.000 -0.116 0.000 1.400 405 F CB 0.361 39.315 39.000 -0.077 0.000 1.117 405 F HN 0.180 nan 8.300 nan 0.000 0.587 406 R N 0.121 120.743 120.500 0.203 0.000 2.159 406 R HA -0.130 4.205 4.340 -0.009 0.000 0.237 406 R C 2.033 178.434 176.300 0.169 0.000 1.131 406 R CA 1.486 57.763 56.100 0.294 0.000 0.982 406 R CB -0.414 30.043 30.300 0.261 0.000 0.868 406 R HN 0.073 nan 8.270 nan 0.000 0.453 407 S N 0.344 116.067 115.700 0.037 0.000 2.496 407 S HA 0.009 4.474 4.470 -0.009 0.000 0.224 407 S C 1.525 176.064 174.600 -0.102 0.000 0.996 407 S CA 0.243 58.432 58.200 -0.018 0.000 0.927 407 S CB 0.013 63.187 63.200 -0.043 0.000 0.774 407 S HN 0.069 nan 8.310 nan 0.000 0.524 408 L N 0.953 122.052 121.223 -0.206 0.000 2.013 408 L HA -0.121 4.214 4.340 -0.009 0.000 0.212 408 L C 1.863 178.557 176.870 -0.293 0.000 1.073 408 L CA 1.821 56.460 54.840 -0.335 0.000 0.753 408 L CB -1.256 40.501 42.059 -0.503 0.000 0.890 408 L HN 0.339 nan 8.230 nan 0.000 0.432 409 Y N -0.054 120.211 120.300 -0.060 0.000 2.145 409 Y HA -0.138 4.406 4.550 -0.009 0.000 0.286 409 Y C -0.134 175.712 175.900 -0.090 0.000 1.145 409 Y CA 1.268 59.298 58.100 -0.117 0.000 1.148 409 Y CB -2.524 35.845 38.460 -0.151 0.000 0.981 409 Y HN 0.295 nan 8.280 nan 0.000 0.507 410 P HA -0.084 nan 4.420 nan 0.000 0.219 410 P C 1.452 178.672 177.300 -0.133 0.000 1.150 410 P CA 1.786 64.857 63.100 -0.048 0.000 0.814 410 P CB 0.053 31.701 31.700 -0.087 0.000 0.787 411 S N 0.586 116.195 115.700 -0.151 0.000 2.359 411 S HA -0.136 4.329 4.470 -0.009 0.000 0.224 411 S C 2.074 176.526 174.600 -0.246 0.000 1.035 411 S CA 1.196 59.267 58.200 -0.214 0.000 1.018 411 S CB -1.169 61.885 63.200 -0.243 0.000 0.876 411 S HN 0.130 nan 8.310 nan 0.000 0.448 412 I N 1.211 121.662 120.570 -0.200 0.000 2.194 412 I HA -0.228 3.936 4.170 -0.009 0.000 0.246 412 I C 2.057 178.057 176.117 -0.195 0.000 1.093 412 I CA 1.327 62.532 61.300 -0.159 0.000 1.355 412 I CB -0.434 37.575 38.000 0.015 0.000 1.046 412 I HN 0.242 nan 8.210 nan 0.000 0.413 413 I N 0.356 120.846 120.570 -0.134 0.000 2.252 413 I HA -0.276 3.889 4.170 -0.009 0.000 0.245 413 I C 2.371 178.364 176.117 -0.207 0.000 1.102 413 I CA 1.483 62.704 61.300 -0.132 0.000 1.385 413 I CB -0.193 37.795 38.000 -0.020 0.000 1.064 413 I HN 0.133 nan 8.210 nan 0.000 0.414 414 I N -0.040 120.395 120.570 -0.225 0.000 2.163 414 I HA -0.263 3.901 4.170 -0.009 0.000 0.240 414 I C 2.516 178.455 176.117 -0.297 0.000 1.081 414 I CA 1.552 62.707 61.300 -0.240 0.000 1.353 414 I CB -0.677 37.185 38.000 -0.231 0.000 1.054 414 I HN 0.163 nan 8.210 nan 0.000 0.407 415 T N -0.682 113.641 114.554 -0.385 0.000 2.746 415 T HA -0.145 4.200 4.350 -0.009 0.000 0.267 415 T C 1.487 175.758 174.700 -0.716 0.000 1.039 415 T CA 1.267 63.039 62.100 -0.547 0.000 1.142 415 T CB -0.256 68.210 68.868 -0.670 0.000 0.866 415 T HN 0.354 nan 8.240 nan 0.000 0.444 416 H N 0.368 119.131 119.070 -0.511 0.000 2.520 416 H HA 0.289 4.839 4.556 -0.009 0.000 0.284 416 H C 0.733 175.801 175.328 -0.432 0.000 1.037 416 H CA -0.212 55.467 56.048 -0.615 0.000 1.168 416 H CB -0.094 28.830 29.762 -1.397 0.000 1.497 416 H HN 0.222 nan 8.280 nan 0.000 0.547 417 N N 0.807 119.336 118.700 -0.285 0.000 2.738 417 N HA -0.181 4.553 4.740 -0.009 0.000 0.249 417 N C -1.067 174.283 175.510 -0.266 0.000 1.047 417 N CA 0.218 53.143 53.050 -0.208 0.000 0.707 417 N CB -1.429 36.969 38.487 -0.148 0.000 0.937 417 N HN 0.008 nan 8.380 nan 0.000 0.545 418 V N 1.046 120.703 119.914 -0.427 0.000 2.387 418 V HA 0.516 4.630 4.120 -0.009 0.000 0.260 418 V C 0.574 176.509 176.094 -0.266 0.000 1.054 418 V CA 0.458 62.276 62.300 -0.803 0.000 0.967 418 V CB 0.698 32.088 31.823 -0.722 0.000 1.036 418 V HN 0.562 nan 8.190 nan 0.000 0.481 419 S N 5.393 121.077 115.700 -0.027 0.000 2.552 419 S HA 0.530 4.995 4.470 -0.009 0.000 0.272 419 S C -2.316 172.490 174.600 0.344 0.000 1.150 419 S CA -1.063 57.280 58.200 0.238 0.000 0.849 419 S CB 2.363 65.751 63.200 0.313 0.000 1.113 419 S HN 0.283 nan 8.310 nan 0.000 0.458 420 P HA -0.161 nan 4.420 nan 0.000 0.217 420 P C 0.743 178.199 177.300 0.260 0.000 1.151 420 P CA 1.891 65.161 63.100 0.284 0.000 0.849 420 P CB -0.320 31.573 31.700 0.321 0.000 0.787 421 D N -0.986 119.589 120.400 0.292 0.000 2.363 421 D HA -0.066 4.569 4.640 -0.009 0.000 0.220 421 D C 1.317 177.825 176.300 0.347 0.000 0.994 421 D CA 1.253 55.420 54.000 0.279 0.000 0.890 421 D CB -1.096 39.871 40.800 0.277 0.000 0.906 421 D HN 0.276 nan 8.370 nan 0.000 0.530 422 T N -2.401 112.347 114.554 0.324 0.000 2.971 422 T HA 0.154 4.499 4.350 -0.009 0.000 0.252 422 T C 0.783 175.641 174.700 0.264 0.000 1.022 422 T CA -0.613 61.641 62.100 0.256 0.000 0.980 422 T CB -0.249 68.709 68.868 0.150 0.000 1.044 422 T HN 0.041 nan 8.240 nan 0.000 0.501 423 L N 3.458 124.842 121.223 0.267 0.000 2.578 423 L HA 0.214 4.549 4.340 -0.009 0.000 0.279 423 L C -0.078 176.780 176.870 -0.019 0.000 1.227 423 L CA 0.361 55.172 54.840 -0.049 0.000 0.900 423 L CB -0.707 41.354 42.059 0.003 0.000 1.144 423 L HN 0.285 nan 8.230 nan 0.000 0.496 424 N N 3.082 121.721 118.700 -0.102 0.000 2.702 424 N HA -0.230 4.505 4.740 -0.009 0.000 0.261 424 N C -0.571 175.003 175.510 0.106 0.000 0.965 424 N CA 0.691 53.743 53.050 0.004 0.000 0.795 424 N CB -0.782 37.685 38.487 -0.033 0.000 0.909 424 N HN 0.507 nan 8.380 nan 0.000 0.546 425 R N 1.147 121.762 120.500 0.192 0.000 2.340 425 R HA 0.175 4.510 4.340 -0.009 0.000 0.300 425 R C 0.584 177.030 176.300 0.242 0.000 1.069 425 R CA -0.212 56.009 56.100 0.203 0.000 0.984 425 R CB 0.603 31.036 30.300 0.222 0.000 1.003 425 R HN 0.325 nan 8.270 nan 0.000 0.459 426 E N -0.013 120.292 120.200 0.175 0.000 2.373 426 E HA 0.254 4.599 4.350 -0.009 0.000 0.267 426 E C 0.601 177.305 176.600 0.173 0.000 1.032 426 E CA 0.577 57.074 56.400 0.162 0.000 0.889 426 E CB 0.610 30.370 29.700 0.100 0.000 0.984 426 E HN 0.756 nan 8.360 nan 0.000 0.425 427 G N 2.009 110.921 108.800 0.186 0.000 2.248 427 G HA2 -0.263 3.691 3.960 -0.009 0.000 0.263 427 G HA3 -0.263 3.691 3.960 -0.009 0.000 0.263 427 G C -0.071 174.903 174.900 0.124 0.000 1.082 427 G CA -0.225 44.961 45.100 0.143 0.000 0.863 427 G HN 0.515 nan 8.290 nan 0.000 0.495 428 C N -0.826 118.554 119.300 0.133 0.000 2.365 428 C HA 0.620 5.075 4.460 -0.009 0.000 0.349 428 C C 1.852 176.818 174.990 -0.040 0.000 1.191 428 C CA -0.176 58.798 59.018 -0.073 0.000 2.114 428 C CB 1.656 29.093 27.740 -0.505 0.000 2.367 428 C HN 0.702 nan 8.230 nan 0.000 0.530 429 E N 0.518 120.675 120.200 -0.072 0.000 2.051 429 E HA -0.095 4.250 4.350 -0.009 0.000 0.192 429 E C 0.456 177.035 176.600 -0.035 0.000 0.991 429 E CA 1.524 57.907 56.400 -0.027 0.000 0.799 429 E CB 0.270 29.952 29.700 -0.029 0.000 0.748 429 E HN 0.679 nan 8.360 nan 0.000 0.449 430 E N -1.265 118.840 120.200 -0.160 0.000 2.343 430 E HA 0.314 4.659 4.350 -0.009 0.000 0.270 430 E C -1.304 175.123 176.600 -0.287 0.000 0.895 430 E CA -0.654 55.687 56.400 -0.100 0.000 0.767 430 E CB 1.636 31.301 29.700 -0.059 0.000 1.248 430 E HN 0.063 nan 8.360 nan 0.000 0.440 431 Y N -0.104 120.228 120.300 0.053 0.000 2.553 431 Y HA 0.315 4.860 4.550 -0.009 0.000 0.347 431 Y C -0.493 175.498 175.900 0.152 0.000 1.019 431 Y CA -0.909 57.245 58.100 0.090 0.000 1.032 431 Y CB 2.026 40.529 38.460 0.071 0.000 1.284 431 Y HN 0.273 nan 8.280 nan 0.000 0.466 432 D N 1.126 121.779 120.400 0.422 0.000 2.185 432 D HA 0.617 5.252 4.640 -0.009 0.000 0.247 432 D C -1.229 175.430 176.300 0.598 0.000 1.027 432 D CA -0.270 54.037 54.000 0.513 0.000 0.861 432 D CB 2.210 43.328 40.800 0.529 0.000 1.202 432 D HN 0.151 nan 8.370 nan 0.000 0.453 433 V N 1.539 121.726 119.914 0.455 0.000 2.444 433 V HA 0.619 4.733 4.120 -0.009 0.000 0.294 433 V C 0.167 176.095 176.094 -0.277 0.000 1.022 433 V CA -1.149 61.233 62.300 0.137 0.000 0.850 433 V CB 1.529 33.356 31.823 0.007 0.000 0.992 433 V HN 0.732 nan 8.190 nan 0.000 0.426 434 A N 7.381 129.826 122.820 -0.625 0.000 2.511 434 A HA 0.554 4.868 4.320 -0.009 0.000 0.242 434 A C -2.322 174.760 177.584 -0.836 0.000 1.069 434 A CA -0.823 50.387 52.037 -1.378 0.000 0.763 434 A CB -0.280 18.245 19.000 -0.791 0.000 1.001 434 A HN 0.651 nan 8.150 nan 0.000 0.498 435 P HA 0.225 nan 4.420 nan 0.000 0.267 435 P C 0.833 177.910 177.300 -0.372 0.000 1.200 435 P CA 0.518 63.309 63.100 -0.516 0.000 0.772 435 P CB 0.650 32.055 31.700 -0.492 0.000 0.855 436 Q N -0.734 118.908 119.800 -0.264 0.000 2.454 436 Q HA -0.227 4.108 4.340 -0.009 0.000 0.167 436 Q C 1.259 177.130 176.000 -0.214 0.000 2.377 436 Q CA 1.959 57.642 55.803 -0.200 0.000 0.877 436 Q CB -2.430 26.211 28.738 -0.162 0.000 0.837 436 Q HN 0.496 nan 8.270 nan 0.000 0.783 437 V N -1.459 118.290 119.914 -0.275 0.000 3.604 437 V HA 0.526 4.641 4.120 -0.009 0.000 0.277 437 V C 1.468 177.250 176.094 -0.520 0.000 1.399 437 V CA 1.866 63.979 62.300 -0.312 0.000 1.034 437 V CB 0.739 32.436 31.823 -0.210 0.000 0.824 437 V HN 1.296 nan 8.190 nan 0.000 0.439 438 G N 0.239 108.771 108.800 -0.447 0.000 2.176 438 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.253 438 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.253 438 G C 0.153 174.828 174.900 -0.375 0.000 0.979 438 G CA 0.320 45.183 45.100 -0.395 0.000 0.641 438 G HN 0.606 nan 8.290 nan 0.000 0.530 439 H N 1.256 120.223 119.070 -0.171 0.000 2.886 439 H HA 0.339 4.890 4.556 -0.009 0.000 0.329 439 H C 0.632 175.797 175.328 -0.272 0.000 1.044 439 H CA 0.501 56.410 56.048 -0.232 0.000 1.456 439 H CB 0.593 30.229 29.762 -0.210 0.000 1.464 439 H HN 0.403 nan 8.280 nan 0.000 0.573 440 K N 3.202 123.462 120.400 -0.233 0.000 2.183 440 K HA 0.355 4.670 4.320 -0.009 0.000 0.274 440 K C -0.715 175.738 176.600 -0.246 0.000 1.009 440 K CA -0.274 55.948 56.287 -0.109 0.000 0.888 440 K CB 0.910 33.299 32.500 -0.186 0.000 1.078 440 K HN 0.274 nan 8.250 nan 0.000 0.459 441 F N 1.596 121.770 119.950 0.373 0.000 2.449 441 F HA 0.226 4.747 4.527 -0.009 0.000 0.342 441 F C 0.512 176.380 175.800 0.113 0.000 1.127 441 F CA -1.080 57.066 58.000 0.244 0.000 0.975 441 F CB 1.075 40.187 39.000 0.188 0.000 1.146 441 F HN 0.544 nan 8.300 nan 0.000 0.444 442 C N 4.272 123.612 119.300 0.067 0.000 2.634 442 C HA 0.087 4.541 4.460 -0.009 0.000 0.417 442 C C 1.159 175.948 174.990 -0.335 0.000 1.334 442 C CA -0.047 58.763 59.018 -0.347 0.000 1.829 442 C CB -0.176 27.346 27.740 -0.363 0.000 2.665 442 C HN 0.954 nan 8.230 nan 0.000 0.614 443 K N 2.416 122.582 120.400 -0.389 0.000 2.469 443 K HA 0.087 4.402 4.320 -0.009 0.000 0.204 443 K C 0.640 177.068 176.600 -0.287 0.000 1.047 443 K CA -0.169 55.948 56.287 -0.284 0.000 1.072 443 K CB 0.313 32.719 32.500 -0.157 0.000 0.863 443 K HN 0.674 nan 8.250 nan 0.000 0.530 444 D N 1.124 121.311 120.400 -0.355 0.000 2.117 444 D HA -0.057 4.578 4.640 -0.009 0.000 0.198 444 D C 0.536 176.817 176.300 -0.031 0.000 0.982 444 D CA 1.135 55.047 54.000 -0.147 0.000 0.828 444 D CB 0.119 40.911 40.800 -0.014 0.000 0.967 444 D HN 0.169 nan 8.370 nan 0.000 0.464 445 F N -0.780 119.152 119.950 -0.029 0.000 2.561 445 F HA 0.609 5.131 4.527 -0.009 0.000 0.321 445 F C -2.631 173.164 175.800 -0.008 0.000 1.065 445 F CA -3.072 54.919 58.000 -0.015 0.000 0.934 445 F CB 0.478 39.476 39.000 -0.003 0.000 1.215 445 F HN -0.330 nan 8.300 nan 0.000 0.471 446 P HA 0.212 nan 4.420 nan 0.000 0.271 446 P C 0.017 177.449 177.300 0.220 0.000 1.216 446 P CA 0.093 63.232 63.100 0.065 0.000 0.771 446 P CB 0.950 32.678 31.700 0.045 0.000 0.864 447 G N 1.908 110.782 108.800 0.123 0.000 2.572 447 G HA2 0.076 4.031 3.960 -0.009 0.000 0.261 447 G HA3 0.076 4.031 3.960 -0.009 0.000 0.261 447 G C 0.453 175.497 174.900 0.240 0.000 1.197 447 G CA -0.561 44.692 45.100 0.254 0.000 0.870 447 G HN 0.382 nan 8.290 nan 0.000 0.548 448 F N 0.896 120.919 119.950 0.121 0.000 2.027 448 F HA -0.195 4.326 4.527 -0.009 0.000 0.297 448 F C 2.426 178.222 175.800 -0.007 0.000 1.129 448 F CA 1.879 59.906 58.000 0.045 0.000 1.195 448 F CB -0.364 38.660 39.000 0.041 0.000 0.960 448 F HN 0.293 nan 8.300 nan 0.000 0.485 449 I N -0.101 120.409 120.570 -0.100 0.000 2.286 449 I HA -0.177 3.987 4.170 -0.009 0.000 0.245 449 I C -0.722 175.244 176.117 -0.251 0.000 1.104 449 I CA 0.975 62.115 61.300 -0.266 0.000 1.397 449 I CB -1.551 36.432 38.000 -0.028 0.000 1.072 449 I HN 0.140 nan 8.210 nan 0.000 0.417 450 P HA -0.183 nan 4.420 nan 0.000 0.215 450 P C 1.883 179.078 177.300 -0.176 0.000 1.153 450 P CA 1.469 64.472 63.100 -0.162 0.000 0.853 450 P CB 0.005 31.637 31.700 -0.114 0.000 0.788 451 S N -0.758 114.869 115.700 -0.122 0.000 2.378 451 S HA -0.213 4.252 4.470 -0.009 0.000 0.229 451 S C 1.741 176.250 174.600 -0.152 0.000 1.052 451 S CA 1.610 59.747 58.200 -0.104 0.000 1.084 451 S CB -1.082 62.093 63.200 -0.041 0.000 0.950 451 S HN -0.004 nan 8.310 nan 0.000 0.440 452 L N 0.569 121.656 121.223 -0.227 0.000 2.179 452 L HA 0.050 4.385 4.340 -0.009 0.000 0.208 452 L C 2.402 179.147 176.870 -0.208 0.000 1.096 452 L CA 0.623 55.355 54.840 -0.179 0.000 0.779 452 L CB -0.436 41.518 42.059 -0.175 0.000 0.922 452 L HN 0.296 nan 8.230 nan 0.000 0.443 453 L N -0.203 120.804 121.223 -0.360 0.000 2.056 453 L HA -0.092 4.243 4.340 -0.009 0.000 0.207 453 L C 2.748 179.465 176.870 -0.256 0.000 1.078 453 L CA 1.302 55.895 54.840 -0.412 0.000 0.749 453 L CB -1.223 40.518 42.059 -0.531 0.000 0.901 453 L HN 0.325 nan 8.230 nan 0.000 0.433 454 G N 0.047 108.721 108.800 -0.210 0.000 2.513 454 G HA2 -0.320 3.635 3.960 -0.009 0.000 0.219 454 G HA3 -0.320 3.635 3.960 -0.009 0.000 0.219 454 G C 1.149 175.974 174.900 -0.124 0.000 1.160 454 G CA 1.305 46.311 45.100 -0.157 0.000 0.767 454 G HN 0.328 nan 8.290 nan 0.000 0.571 455 D N 0.359 120.695 120.400 -0.107 0.000 2.117 455 D HA -0.035 4.600 4.640 -0.009 0.000 0.198 455 D C 2.703 178.962 176.300 -0.068 0.000 0.982 455 D CA 0.434 54.392 54.000 -0.069 0.000 0.828 455 D CB -0.337 40.440 40.800 -0.038 0.000 0.967 455 D HN 0.321 nan 8.370 nan 0.000 0.464 456 L N 0.381 121.549 121.223 -0.092 0.000 2.046 456 L HA -0.130 4.204 4.340 -0.009 0.000 0.208 456 L C 2.558 179.365 176.870 -0.105 0.000 1.077 456 L CA 0.714 55.494 54.840 -0.100 0.000 0.747 456 L CB -0.306 41.651 42.059 -0.170 0.000 0.896 456 L HN 0.042 nan 8.230 nan 0.000 0.432 457 L N -0.664 120.482 121.223 -0.127 0.000 2.109 457 L HA -0.184 4.150 4.340 -0.009 0.000 0.207 457 L C 2.528 179.340 176.870 -0.096 0.000 1.086 457 L CA 1.103 55.873 54.840 -0.117 0.000 0.760 457 L CB -0.482 41.494 42.059 -0.138 0.000 0.910 457 L HN 0.335 nan 8.230 nan 0.000 0.437 458 E N 0.638 120.783 120.200 -0.091 0.000 2.038 458 E HA -0.319 4.025 4.350 -0.009 0.000 0.195 458 E C 2.007 178.570 176.600 -0.061 0.000 1.000 458 E CA 1.765 58.120 56.400 -0.075 0.000 0.803 458 E CB 0.078 29.736 29.700 -0.069 0.000 0.750 458 E HN 0.293 nan 8.360 nan 0.000 0.448 459 E N 1.003 121.171 120.200 -0.053 0.000 2.086 459 E HA -0.261 4.084 4.350 -0.009 0.000 0.200 459 E C 2.052 178.626 176.600 -0.044 0.000 1.012 459 E CA 1.830 58.206 56.400 -0.040 0.000 0.812 459 E CB -0.272 29.411 29.700 -0.028 0.000 0.743 459 E HN 0.186 nan 8.360 nan 0.000 0.453 460 R N -0.452 120.015 120.500 -0.055 0.000 2.091 460 R HA -0.204 4.130 4.340 -0.009 0.000 0.238 460 R C 2.341 178.608 176.300 -0.055 0.000 1.136 460 R CA 1.868 57.936 56.100 -0.054 0.000 0.959 460 R CB -0.209 30.052 30.300 -0.064 0.000 0.856 460 R HN 0.183 nan 8.270 nan 0.000 0.437 461 Q N 0.739 120.502 119.800 -0.061 0.000 2.119 461 Q HA -0.147 4.187 4.340 -0.009 0.000 0.201 461 Q C 1.846 177.815 176.000 -0.052 0.000 0.972 461 Q CA 1.775 57.541 55.803 -0.062 0.000 0.847 461 Q CB -0.033 28.663 28.738 -0.070 0.000 0.903 461 Q HN 0.199 nan 8.270 nan 0.000 0.433 462 K N -0.857 119.515 120.400 -0.046 0.000 2.057 462 K HA -0.119 4.196 4.320 -0.009 0.000 0.207 462 K C 1.783 178.363 176.600 -0.034 0.000 1.049 462 K CA 1.449 57.713 56.287 -0.038 0.000 0.931 462 K CB -0.002 32.477 32.500 -0.034 0.000 0.714 462 K HN 0.123 nan 8.250 nan 0.000 0.440 463 V N 1.425 121.319 119.914 -0.033 0.000 2.307 463 V HA -0.205 3.910 4.120 -0.009 0.000 0.245 463 V C 2.215 178.289 176.094 -0.034 0.000 1.045 463 V CA 1.702 63.984 62.300 -0.028 0.000 1.024 463 V CB -0.379 31.429 31.823 -0.025 0.000 0.651 463 V HN 0.328 nan 8.190 nan 0.000 0.449 464 K N 0.042 120.417 120.400 -0.042 0.000 2.152 464 K HA -0.243 4.071 4.320 -0.009 0.000 0.206 464 K C 2.239 178.813 176.600 -0.045 0.000 1.048 464 K CA 1.688 57.947 56.287 -0.047 0.000 0.933 464 K CB -0.122 32.346 32.500 -0.053 0.000 0.721 464 K HN 0.464 nan 8.250 nan 0.000 0.447 465 K N 1.179 121.554 120.400 -0.042 0.000 2.076 465 K HA -0.146 4.169 4.320 -0.009 0.000 0.204 465 K C 1.951 178.531 176.600 -0.034 0.000 1.051 465 K CA 1.312 57.575 56.287 -0.039 0.000 0.949 465 K CB 0.048 32.524 32.500 -0.039 0.000 0.726 465 K HN -0.140 nan 8.250 nan 0.000 0.443 466 K N 0.487 120.869 120.400 -0.030 0.000 2.113 466 K HA -0.092 4.223 4.320 -0.009 0.000 0.208 466 K C 2.070 178.655 176.600 -0.025 0.000 1.047 466 K CA 1.877 58.149 56.287 -0.024 0.000 0.928 466 K CB -0.016 32.472 32.500 -0.020 0.000 0.716 466 K HN 0.227 nan 8.250 nan 0.000 0.446 467 M N -0.105 119.477 119.600 -0.030 0.000 2.279 467 M HA -0.183 4.292 4.480 -0.009 0.000 0.264 467 M C 1.804 178.083 176.300 -0.035 0.000 1.062 467 M CA 1.516 56.795 55.300 -0.034 0.000 1.099 467 M CB -0.141 32.433 32.600 -0.044 0.000 1.394 467 M HN 0.049 nan 8.290 nan 0.000 0.426 468 K N 0.269 120.648 120.400 -0.035 0.000 2.243 468 K HA 0.085 4.400 4.320 -0.009 0.000 0.201 468 K C 1.456 178.039 176.600 -0.029 0.000 1.051 468 K CA 0.720 56.987 56.287 -0.035 0.000 0.970 468 K CB 0.112 32.590 32.500 -0.037 0.000 0.755 468 K HN 0.211 nan 8.250 nan 0.000 0.465 469 A N 1.651 124.456 122.820 -0.026 0.000 2.359 469 A HA 0.028 4.342 4.320 -0.009 0.000 0.240 469 A C 0.209 177.782 177.584 -0.018 0.000 1.306 469 A CA 0.110 52.134 52.037 -0.022 0.000 0.898 469 A CB -0.346 18.642 19.000 -0.020 0.000 0.956 469 A HN 0.234 nan 8.150 nan 0.000 0.497 470 T N -4.178 110.364 114.554 -0.020 0.000 2.921 470 T HA 0.529 4.873 4.350 -0.009 0.000 0.297 470 T C 0.250 174.939 174.700 -0.018 0.000 1.013 470 T CA -0.445 61.646 62.100 -0.016 0.000 0.990 470 T CB 1.224 70.083 68.868 -0.014 0.000 1.023 470 T HN 0.079 nan 8.240 nan 0.000 0.447 471 I N 1.512 122.074 120.570 -0.014 0.000 3.265 471 I HA 0.264 4.429 4.170 -0.009 0.000 0.282 471 I C 0.564 176.674 176.117 -0.012 0.000 1.207 471 I CA 0.060 61.352 61.300 -0.015 0.000 1.449 471 I CB 0.098 38.090 38.000 -0.013 0.000 1.121 471 I HN 0.872 nan 8.210 nan 0.000 0.442 472 D N 1.985 122.380 120.400 -0.008 0.000 2.426 472 D HA -0.001 4.633 4.640 -0.009 0.000 0.261 472 D C -1.718 174.579 176.300 -0.005 0.000 1.245 472 D CA -1.500 52.498 54.000 -0.003 0.000 0.917 472 D CB 0.985 41.786 40.800 0.002 0.000 1.123 472 D HN 0.161 nan 8.370 nan 0.000 0.508 473 P HA -0.052 nan 4.420 nan 0.000 0.229 473 P C 1.330 178.628 177.300 -0.004 0.000 1.160 473 P CA 0.344 63.437 63.100 -0.012 0.000 0.777 473 P CB 0.189 31.881 31.700 -0.013 0.000 0.814 474 I N -0.211 120.365 120.570 0.010 0.000 2.233 474 I HA -0.119 4.046 4.170 -0.009 0.000 0.243 474 I C 2.167 178.301 176.117 0.029 0.000 1.093 474 I CA 1.401 62.717 61.300 0.026 0.000 1.380 474 I CB -1.604 36.415 38.000 0.032 0.000 1.067 474 I HN 0.021 nan 8.210 nan 0.000 0.413 475 E N 1.221 121.433 120.200 0.019 0.000 2.152 475 E HA -0.183 4.162 4.350 -0.009 0.000 0.192 475 E C 2.137 178.743 176.600 0.009 0.000 0.983 475 E CA 0.705 57.116 56.400 0.019 0.000 0.818 475 E CB 0.003 29.711 29.700 0.012 0.000 0.758 475 E HN 0.413 nan 8.360 nan 0.000 0.467 476 K N 1.062 121.458 120.400 -0.007 0.000 2.057 476 K HA -0.161 4.154 4.320 -0.009 0.000 0.207 476 K C 2.171 178.745 176.600 -0.044 0.000 1.049 476 K CA 1.297 57.569 56.287 -0.026 0.000 0.931 476 K CB 0.003 32.482 32.500 -0.035 0.000 0.714 476 K HN -0.118 nan 8.250 nan 0.000 0.440 477 K N 0.644 121.020 120.400 -0.041 0.000 2.097 477 K HA -0.127 4.187 4.320 -0.009 0.000 0.206 477 K C 2.166 178.751 176.600 -0.026 0.000 1.049 477 K CA 0.971 57.204 56.287 -0.090 0.000 0.933 477 K CB -0.023 32.447 32.500 -0.050 0.000 0.717 477 K HN 0.138 nan 8.250 nan 0.000 0.442 478 L N 0.748 122.024 121.223 0.089 0.000 2.072 478 L HA -0.135 4.200 4.340 -0.009 0.000 0.205 478 L C 2.100 179.051 176.870 0.135 0.000 1.079 478 L CA 0.924 55.879 54.840 0.191 0.000 0.752 478 L CB -0.078 42.051 42.059 0.117 0.000 0.906 478 L HN 0.203 nan 8.230 nan 0.000 0.436 479 L N -0.618 120.635 121.223 0.049 0.000 2.083 479 L HA -0.260 4.074 4.340 -0.009 0.000 0.209 479 L C 2.140 179.007 176.870 -0.005 0.000 1.083 479 L CA 1.490 56.343 54.840 0.021 0.000 0.752 479 L CB -0.569 41.489 42.059 -0.003 0.000 0.899 479 L HN 0.329 nan 8.230 nan 0.000 0.433 480 D N -0.895 119.467 120.400 -0.063 0.000 2.149 480 D HA -0.244 4.391 4.640 -0.009 0.000 0.198 480 D C 2.012 178.227 176.300 -0.140 0.000 0.990 480 D CA 1.429 55.346 54.000 -0.138 0.000 0.839 480 D CB -0.000 40.660 40.800 -0.233 0.000 0.948 480 D HN 0.212 nan 8.370 nan 0.000 0.460 481 Y N 0.335 120.604 120.300 -0.050 0.000 2.097 481 Y HA -0.167 4.378 4.550 -0.008 0.000 0.282 481 Y C 2.597 178.468 175.900 -0.049 0.000 1.152 481 Y CA 1.662 59.729 58.100 -0.055 0.000 1.136 481 Y CB -0.724 37.706 38.460 -0.049 0.000 0.975 481 Y HN -0.081 nan 8.280 nan 0.000 0.498 482 R N 0.430 121.003 120.500 0.122 0.000 2.091 482 R HA -0.208 4.126 4.340 -0.009 0.000 0.238 482 R C 2.349 178.657 176.300 0.014 0.000 1.136 482 R CA 1.858 57.989 56.100 0.051 0.000 0.959 482 R CB -0.535 29.786 30.300 0.035 0.000 0.856 482 R HN 0.336 nan 8.270 nan 0.000 0.437 483 Q N 0.469 120.267 119.800 -0.004 0.000 2.124 483 Q HA -0.179 4.155 4.340 -0.009 0.000 0.202 483 Q C 1.797 177.778 176.000 -0.031 0.000 0.977 483 Q CA 1.835 57.621 55.803 -0.028 0.000 0.850 483 Q CB 0.048 28.759 28.738 -0.044 0.000 0.901 483 Q HN 0.430 nan 8.270 nan 0.000 0.429 484 R N -0.503 119.982 120.500 -0.026 0.000 2.127 484 R HA 0.111 4.446 4.340 -0.009 0.000 0.217 484 R C 2.412 178.707 176.300 -0.008 0.000 1.074 484 R CA 0.801 56.885 56.100 -0.026 0.000 0.991 484 R CB -0.275 29.998 30.300 -0.044 0.000 0.895 484 R HN 0.235 nan 8.270 nan 0.000 0.450 485 A N 1.625 124.451 122.820 0.009 0.000 1.865 485 A HA -0.176 4.138 4.320 -0.009 0.000 0.217 485 A C 2.141 179.708 177.584 -0.027 0.000 1.191 485 A CA 1.384 53.421 52.037 -0.000 0.000 0.623 485 A CB -0.606 18.398 19.000 0.006 0.000 0.826 485 A HN 0.174 nan 8.150 nan 0.000 0.444 486 I N -0.436 120.114 120.570 -0.034 0.000 2.163 486 I HA -0.312 3.853 4.170 -0.009 0.000 0.243 486 I C 2.561 178.643 176.117 -0.057 0.000 1.085 486 I CA 2.019 63.284 61.300 -0.059 0.000 1.347 486 I CB -0.343 37.622 38.000 -0.058 0.000 1.044 486 I HN 0.429 nan 8.210 nan 0.000 0.408 487 K N 1.640 122.016 120.400 -0.039 0.000 2.009 487 K HA -0.220 4.095 4.320 -0.009 0.000 0.210 487 K C 2.181 178.776 176.600 -0.007 0.000 1.049 487 K CA 1.798 58.069 56.287 -0.026 0.000 0.929 487 K CB -0.215 32.273 32.500 -0.021 0.000 0.714 487 K HN 0.163 nan 8.250 nan 0.000 0.440 488 I N 1.084 121.650 120.570 -0.008 0.000 2.113 488 I HA -0.338 3.826 4.170 -0.009 0.000 0.242 488 I C 2.382 178.491 176.117 -0.013 0.000 1.064 488 I CA 1.057 62.356 61.300 -0.001 0.000 1.320 488 I CB -0.311 37.686 38.000 -0.004 0.000 1.028 488 I HN 0.286 nan 8.210 nan 0.000 0.406 489 L N 0.768 121.963 121.223 -0.047 0.000 1.994 489 L HA -0.151 4.183 4.340 -0.009 0.000 0.208 489 L C 2.535 179.412 176.870 0.011 0.000 1.071 489 L CA 2.277 57.065 54.840 -0.086 0.000 0.745 489 L CB -1.031 40.921 42.059 -0.178 0.000 0.892 489 L HN 0.220 nan 8.230 nan 0.000 0.431 490 A N -0.339 122.478 122.820 -0.003 0.000 1.883 490 A HA -0.237 4.078 4.320 -0.009 0.000 0.217 490 A C 1.917 179.595 177.584 0.158 0.000 1.186 490 A CA 1.983 54.030 52.037 0.016 0.000 0.624 490 A CB -0.932 18.010 19.000 -0.096 0.000 0.822 490 A HN 0.623 nan 8.150 nan 0.000 0.444 491 N N 0.332 119.101 118.700 0.115 0.000 2.571 491 N HA 0.004 4.738 4.740 -0.009 0.000 0.189 491 N C 1.011 176.631 175.510 0.182 0.000 1.154 491 N CA 0.916 54.067 53.050 0.169 0.000 0.907 491 N CB -0.141 38.430 38.487 0.139 0.000 0.977 491 N HN 0.399 nan 8.380 nan 0.000 0.449 492 S N -0.672 115.111 115.700 0.139 0.000 2.575 492 S HA 0.199 4.664 4.470 -0.009 0.000 0.215 492 S C 1.027 175.648 174.600 0.035 0.000 0.966 492 S CA -0.306 57.918 58.200 0.039 0.000 0.911 492 S CB -0.024 63.120 63.200 -0.094 0.000 0.780 492 S HN 0.230 nan 8.310 nan 0.000 0.514 493 F N 0.316 120.264 119.950 -0.003 0.000 2.293 493 F HA 0.058 4.579 4.527 -0.009 0.000 0.297 493 F C 2.096 177.978 175.800 0.135 0.000 1.089 493 F CA 0.488 58.466 58.000 -0.036 0.000 1.377 493 F CB -0.413 38.498 39.000 -0.148 0.000 1.051 493 F HN 0.238 nan 8.300 nan 0.000 0.511 494 Y N 0.926 121.362 120.300 0.227 0.000 2.114 494 Y HA -0.106 4.438 4.550 -0.009 0.000 0.284 494 Y C 2.420 178.417 175.900 0.162 0.000 1.143 494 Y CA 1.465 59.672 58.100 0.179 0.000 1.135 494 Y CB -1.109 37.347 38.460 -0.006 0.000 0.980 494 Y HN 0.006 nan 8.280 nan 0.000 0.499 495 G N -1.222 107.567 108.800 -0.018 0.000 2.418 495 G HA2 -0.362 3.593 3.960 -0.009 0.000 0.217 495 G HA3 -0.362 3.593 3.960 -0.009 0.000 0.217 495 G C 1.717 176.669 174.900 0.088 0.000 1.158 495 G CA 0.925 45.973 45.100 -0.087 0.000 0.771 495 G HN 0.582 nan 8.290 nan 0.000 0.545 496 Y N 0.091 120.389 120.300 -0.004 0.000 2.207 496 Y HA -0.214 4.331 4.550 -0.009 0.000 0.287 496 Y C 2.542 178.583 175.900 0.235 0.000 1.156 496 Y CA 1.562 59.690 58.100 0.047 0.000 1.182 496 Y CB -0.223 38.138 38.460 -0.166 0.000 0.979 496 Y HN 0.221 nan 8.280 nan 0.000 0.521 497 Y N -0.115 120.319 120.300 0.224 0.000 2.181 497 Y HA -0.054 4.490 4.550 -0.009 0.000 0.288 497 Y C 2.387 178.253 175.900 -0.056 0.000 1.146 497 Y CA 1.419 59.594 58.100 0.126 0.000 1.164 497 Y CB -0.897 37.683 38.460 0.199 0.000 0.982 497 Y HN 0.160 nan 8.280 nan 0.000 0.515 498 G N -2.217 106.706 108.800 0.206 0.000 3.814 498 G HA2 0.008 3.962 3.960 -0.009 0.000 0.293 498 G HA3 0.008 3.962 3.960 -0.009 0.000 0.293 498 G C -0.875 174.282 174.900 0.430 0.000 1.243 498 G CA -0.130 45.095 45.100 0.207 0.000 1.053 498 G HN 0.180 nan 8.290 nan 0.000 0.562 499 Y N 1.882 122.310 120.300 0.212 0.000 2.454 499 Y HA 0.514 5.059 4.550 -0.009 0.000 0.345 499 Y C 1.202 177.161 175.900 0.098 0.000 0.970 499 Y CA -1.695 56.466 58.100 0.101 0.000 1.204 499 Y CB 1.111 39.533 38.460 -0.064 0.000 1.122 499 Y HN 0.120 nan 8.280 nan 0.000 0.514 500 A N 5.470 128.195 122.820 -0.158 0.000 1.940 500 A HA -0.264 4.050 4.320 -0.009 0.000 0.221 500 A C 2.033 179.258 177.584 -0.599 0.000 1.190 500 A CA 2.149 53.932 52.037 -0.423 0.000 0.647 500 A CB -0.352 18.483 19.000 -0.274 0.000 0.821 500 A HN 0.808 nan 8.150 nan 0.000 0.457 501 K N -0.420 119.442 120.400 -0.897 0.000 2.525 501 K HA 0.268 4.582 4.320 -0.009 0.000 0.192 501 K C 0.612 176.924 176.600 -0.480 0.000 1.029 501 K CA 0.198 56.080 56.287 -0.675 0.000 1.029 501 K CB -0.197 31.916 32.500 -0.645 0.000 0.814 501 K HN 0.515 nan 8.250 nan 0.000 0.503 502 A N 0.940 123.476 122.820 -0.473 0.000 2.425 502 A HA 0.120 4.435 4.320 -0.009 0.000 0.249 502 A C 0.673 178.259 177.584 0.003 0.000 1.084 502 A CA -0.229 51.713 52.037 -0.159 0.000 0.781 502 A CB 0.461 19.190 19.000 -0.452 0.000 1.019 502 A HN 0.272 nan 8.150 nan 0.000 0.490 503 R N 1.572 122.163 120.500 0.152 0.000 2.062 503 R HA -0.079 4.256 4.340 -0.009 0.000 0.231 503 R C 0.437 176.775 176.300 0.063 0.000 1.136 503 R CA 1.457 57.572 56.100 0.027 0.000 0.948 503 R CB 0.005 30.227 30.300 -0.129 0.000 0.845 503 R HN 0.884 nan 8.270 nan 0.000 0.430 504 W N 1.457 122.937 121.300 0.300 0.000 3.221 504 W HA 0.107 4.761 4.660 -0.010 0.000 0.436 504 W C -0.237 176.487 176.519 0.341 0.000 0.913 504 W CA -0.992 56.560 57.345 0.345 0.000 2.004 504 W CB -0.671 29.071 29.460 0.470 0.000 1.007 504 W HN 0.099 nan 8.180 nan 0.000 0.838 505 Y N 0.758 121.185 120.300 0.213 0.000 2.652 505 Y HA 0.084 4.629 4.550 -0.009 0.000 0.344 505 Y C 0.077 176.112 175.900 0.224 0.000 1.254 505 Y CA 0.806 58.991 58.100 0.142 0.000 1.480 505 Y CB 0.767 39.234 38.460 0.011 0.000 1.345 505 Y HN -0.003 nan 8.280 nan 0.000 0.617 506 C N 8.757 127.750 119.300 -0.511 0.000 3.080 506 C HA 0.180 4.635 4.460 -0.009 0.000 0.388 506 C C 0.816 175.433 174.990 -0.622 0.000 1.079 506 C CA -1.205 57.574 59.018 -0.399 0.000 1.289 506 C CB -0.163 27.514 27.740 -0.105 0.000 1.702 506 C HN 1.144 nan 8.230 nan 0.000 0.516 507 K N 1.841 121.859 120.400 -0.636 0.000 2.057 507 K HA -0.156 4.159 4.320 -0.009 0.000 0.207 507 K C 1.441 177.896 176.600 -0.242 0.000 1.049 507 K CA 2.311 58.384 56.287 -0.357 0.000 0.931 507 K CB 0.230 32.684 32.500 -0.077 0.000 0.714 507 K HN 0.816 nan 8.250 nan 0.000 0.440 508 E N 0.292 120.309 120.200 -0.305 0.000 2.085 508 E HA -0.200 4.144 4.350 -0.009 0.000 0.194 508 E C 2.124 178.597 176.600 -0.211 0.000 0.994 508 E CA 1.607 57.683 56.400 -0.540 0.000 0.801 508 E CB -0.461 28.789 29.700 -0.749 0.000 0.743 508 E HN 0.337 nan 8.360 nan 0.000 0.453 509 C N 0.610 119.805 119.300 -0.174 0.000 2.413 509 C HA -0.121 4.333 4.460 -0.009 0.000 0.276 509 C C 2.825 177.717 174.990 -0.163 0.000 1.236 509 C CA 0.838 59.686 59.018 -0.283 0.000 1.735 509 C CB -1.188 25.942 27.740 -1.016 0.000 2.031 509 C HN 0.554 nan 8.230 nan 0.000 0.474 510 A N 0.515 123.275 122.820 -0.100 0.000 1.858 510 A HA -0.208 4.107 4.320 -0.009 0.000 0.216 510 A C 2.003 179.694 177.584 0.178 0.000 1.190 510 A CA 1.836 53.952 52.037 0.132 0.000 0.617 510 A CB -0.686 18.366 19.000 0.087 0.000 0.827 510 A HN 0.682 nan 8.150 nan 0.000 0.443 511 E N -0.130 120.128 120.200 0.097 0.000 2.070 511 E HA -0.164 4.181 4.350 -0.009 0.000 0.197 511 E C 2.380 179.076 176.600 0.159 0.000 1.004 511 E CA 1.560 58.035 56.400 0.126 0.000 0.805 511 E CB -0.184 29.605 29.700 0.147 0.000 0.744 511 E HN 0.578 nan 8.360 nan 0.000 0.451 512 S N 0.151 115.982 115.700 0.217 0.000 2.359 512 S HA -0.161 4.304 4.470 -0.009 0.000 0.224 512 S C 2.142 176.924 174.600 0.302 0.000 1.035 512 S CA 1.178 59.542 58.200 0.275 0.000 1.018 512 S CB -0.190 63.318 63.200 0.514 0.000 0.876 512 S HN 0.076 nan 8.310 nan 0.000 0.448 513 V N 1.609 121.660 119.914 0.228 0.000 2.515 513 V HA -0.143 3.972 4.120 -0.009 0.000 0.250 513 V C 2.423 178.574 176.094 0.094 0.000 1.058 513 V CA 1.943 64.337 62.300 0.156 0.000 1.064 513 V CB -1.296 30.533 31.823 0.010 0.000 0.675 513 V HN 0.519 nan 8.190 nan 0.000 0.461 514 T N 0.423 115.065 114.554 0.147 0.000 2.821 514 T HA -0.100 4.245 4.350 -0.009 0.000 0.267 514 T C 2.063 176.839 174.700 0.125 0.000 1.046 514 T CA 1.523 63.732 62.100 0.181 0.000 1.139 514 T CB -0.314 68.688 68.868 0.224 0.000 0.871 514 T HN 0.565 nan 8.240 nan 0.000 0.454 515 A N 1.154 124.006 122.820 0.054 0.000 1.840 515 A HA -0.043 4.272 4.320 -0.009 0.000 0.214 515 A C 2.174 179.696 177.584 -0.103 0.000 1.198 515 A CA 0.882 52.871 52.037 -0.079 0.000 0.608 515 A CB -1.046 17.823 19.000 -0.219 0.000 0.839 515 A HN 0.552 nan 8.150 nan 0.000 0.443 516 W N 0.275 121.512 121.300 -0.105 0.000 2.325 516 W HA -0.167 4.488 4.660 -0.009 0.000 0.299 516 W C 2.421 178.854 176.519 -0.143 0.000 1.215 516 W CA 1.336 58.565 57.345 -0.193 0.000 1.244 516 W CB -1.192 28.218 29.460 -0.083 0.000 1.140 516 W HN 0.461 nan 8.180 nan 0.000 0.523 517 G N 0.151 109.073 108.800 0.204 0.000 2.433 517 G HA2 -0.318 3.636 3.960 -0.009 0.000 0.216 517 G HA3 -0.318 3.636 3.960 -0.009 0.000 0.216 517 G C 1.597 176.451 174.900 -0.076 0.000 1.186 517 G CA 1.354 46.527 45.100 0.122 0.000 0.779 517 G HN 0.211 nan 8.290 nan 0.000 0.543 518 R N 0.108 120.582 120.500 -0.043 0.000 2.096 518 R HA -0.169 4.165 4.340 -0.009 0.000 0.240 518 R C 2.603 178.779 176.300 -0.206 0.000 1.139 518 R CA 2.229 58.272 56.100 -0.095 0.000 0.952 518 R CB -0.458 29.862 30.300 0.032 0.000 0.854 518 R HN 0.534 nan 8.270 nan 0.000 0.436 519 Q N -0.950 118.712 119.800 -0.229 0.000 2.030 519 Q HA -0.227 4.108 4.340 -0.009 0.000 0.204 519 Q C 1.736 177.552 176.000 -0.306 0.000 0.986 519 Q CA 2.003 57.621 55.803 -0.308 0.000 0.843 519 Q CB -0.181 28.291 28.738 -0.443 0.000 0.904 519 Q HN 0.480 nan 8.270 nan 0.000 0.420 520 Y N 0.248 120.474 120.300 -0.124 0.000 2.293 520 Y HA -0.123 4.422 4.550 -0.009 0.000 0.291 520 Y C 2.058 177.777 175.900 -0.301 0.000 1.137 520 Y CA 0.766 58.766 58.100 -0.168 0.000 1.202 520 Y CB -0.199 38.166 38.460 -0.157 0.000 0.990 520 Y HN 0.154 nan 8.280 nan 0.000 0.537 521 I N -0.172 120.183 120.570 -0.357 0.000 2.202 521 I HA -0.273 3.892 4.170 -0.009 0.000 0.242 521 I C 2.232 178.057 176.117 -0.487 0.000 1.091 521 I CA 1.503 62.385 61.300 -0.698 0.000 1.368 521 I CB -0.328 36.936 38.000 -1.227 0.000 1.058 521 I HN 0.166 nan 8.210 nan 0.000 0.410 522 E N 0.249 120.221 120.200 -0.379 0.000 2.085 522 E HA -0.205 4.139 4.350 -0.009 0.000 0.194 522 E C 2.108 178.628 176.600 -0.133 0.000 0.994 522 E CA 1.970 58.240 56.400 -0.216 0.000 0.801 522 E CB -0.009 29.613 29.700 -0.130 0.000 0.743 522 E HN 0.413 nan 8.360 nan 0.000 0.453 523 T N -0.047 114.451 114.554 -0.094 0.000 2.674 523 T HA -0.166 4.179 4.350 -0.009 0.000 0.265 523 T C 1.927 176.644 174.700 0.029 0.000 1.039 523 T CA 1.814 63.910 62.100 -0.007 0.000 1.150 523 T CB -0.561 68.334 68.868 0.045 0.000 0.864 523 T HN 0.238 nan 8.240 nan 0.000 0.427 524 T N 2.259 116.818 114.554 0.009 0.000 2.665 524 T HA -0.088 4.256 4.350 -0.009 0.000 0.268 524 T C 1.972 176.673 174.700 0.002 0.000 1.035 524 T CA 1.261 63.429 62.100 0.113 0.000 1.151 524 T CB -0.555 68.374 68.868 0.102 0.000 0.862 524 T HN 0.299 nan 8.240 nan 0.000 0.438 525 I N 0.447 120.891 120.570 -0.210 0.000 2.127 525 I HA -0.201 3.963 4.170 -0.009 0.000 0.241 525 I C 2.862 178.887 176.117 -0.153 0.000 1.075 525 I CA 1.413 62.523 61.300 -0.317 0.000 1.334 525 I CB -0.318 37.490 38.000 -0.319 0.000 1.040 525 I HN 0.099 nan 8.210 nan 0.000 0.405 526 R N 0.534 120.995 120.500 -0.066 0.000 2.105 526 R HA -0.190 4.145 4.340 -0.009 0.000 0.239 526 R C 2.233 178.565 176.300 0.053 0.000 1.135 526 R CA 1.402 57.498 56.100 -0.006 0.000 0.967 526 R CB -0.013 30.294 30.300 0.012 0.000 0.861 526 R HN 0.349 nan 8.270 nan 0.000 0.442 527 E N 0.366 120.642 120.200 0.127 0.000 2.046 527 E HA -0.195 4.150 4.350 -0.009 0.000 0.190 527 E C 2.013 178.746 176.600 0.222 0.000 0.982 527 E CA 0.987 57.556 56.400 0.281 0.000 0.800 527 E CB -0.235 29.789 29.700 0.540 0.000 0.756 527 E HN 0.412 nan 8.360 nan 0.000 0.449 528 I N 1.055 121.569 120.570 -0.094 0.000 2.493 528 I HA -0.248 3.916 4.170 -0.009 0.000 0.254 528 I C 2.087 178.176 176.117 -0.046 0.000 1.160 528 I CA 1.116 62.099 61.300 -0.528 0.000 1.445 528 I CB 0.157 37.457 38.000 -1.167 0.000 1.086 528 I HN 0.092 nan 8.210 nan 0.000 0.433 529 E N 0.327 120.513 120.200 -0.024 0.000 2.011 529 E HA -0.209 4.135 4.350 -0.009 0.000 0.191 529 E C 2.019 178.653 176.600 0.058 0.000 0.980 529 E CA 1.157 57.575 56.400 0.029 0.000 0.814 529 E CB -0.084 29.607 29.700 -0.015 0.000 0.775 529 E HN 0.435 nan 8.360 nan 0.000 0.454 530 E N 0.740 120.968 120.200 0.046 0.000 2.049 530 E HA -0.222 4.122 4.350 -0.009 0.000 0.198 530 E C 1.913 178.528 176.600 0.024 0.000 1.007 530 E CA 1.420 57.841 56.400 0.035 0.000 0.809 530 E CB 0.047 29.768 29.700 0.036 0.000 0.749 530 E HN -0.026 nan 8.360 nan 0.000 0.450 531 K N -1.087 119.351 120.400 0.064 0.000 2.400 531 K HA 0.055 4.369 4.320 -0.009 0.000 0.194 531 K C 0.524 176.977 176.600 -0.244 0.000 1.033 531 K CA 0.373 56.608 56.287 -0.086 0.000 1.021 531 K CB 0.454 32.881 32.500 -0.121 0.000 0.808 531 K HN 0.048 nan 8.250 nan 0.000 0.505 532 F N -1.177 118.777 119.950 0.006 0.000 2.798 532 F HA 0.269 4.791 4.527 -0.009 0.000 0.328 532 F C 1.024 176.875 175.800 0.085 0.000 1.098 532 F CA -0.210 57.846 58.000 0.094 0.000 1.172 532 F CB 1.302 40.429 39.000 0.212 0.000 1.072 532 F HN 0.008 nan 8.300 nan 0.000 0.555 533 G N 0.883 109.779 108.800 0.160 0.000 2.198 533 G HA2 -0.334 3.620 3.960 -0.009 0.000 0.260 533 G HA3 -0.334 3.620 3.960 -0.009 0.000 0.260 533 G C 0.087 174.978 174.900 -0.016 0.000 1.025 533 G CA -0.170 44.955 45.100 0.042 0.000 0.769 533 G HN 0.196 nan 8.290 nan 0.000 0.507 534 F N -0.178 119.769 119.950 -0.003 0.000 2.382 534 F HA 0.609 5.131 4.527 -0.009 0.000 0.331 534 F C 0.766 176.521 175.800 -0.074 0.000 1.121 534 F CA -0.202 57.777 58.000 -0.036 0.000 1.183 534 F CB 1.227 40.179 39.000 -0.079 0.000 1.207 534 F HN 0.024 nan 8.300 nan 0.000 0.555 535 K N 1.421 121.849 120.400 0.047 0.000 2.206 535 K HA 0.543 4.857 4.320 -0.009 0.000 0.264 535 K C -1.572 174.969 176.600 -0.099 0.000 0.967 535 K CA -0.463 55.773 56.287 -0.085 0.000 0.844 535 K CB 1.339 33.697 32.500 -0.237 0.000 1.099 535 K HN 0.364 nan 8.250 nan 0.000 0.441 536 V N 7.504 127.353 119.914 -0.110 0.000 2.368 536 V HA 0.144 4.258 4.120 -0.009 0.000 0.266 536 V C 1.048 177.032 176.094 -0.183 0.000 1.045 536 V CA -0.249 62.001 62.300 -0.084 0.000 0.899 536 V CB 0.693 32.437 31.823 -0.131 0.000 1.006 536 V HN 0.790 nan 8.190 nan 0.000 0.470 537 L N 4.703 125.760 121.223 -0.278 0.000 2.162 537 L HA 0.206 4.540 4.340 -0.009 0.000 0.205 537 L C 0.373 176.998 176.870 -0.408 0.000 1.086 537 L CA 1.033 55.560 54.840 -0.522 0.000 0.778 537 L CB -0.015 41.517 42.059 -0.878 0.000 0.928 537 L HN 0.651 nan 8.230 nan 0.000 0.446 538 Y N -0.413 119.629 120.300 -0.431 0.000 2.521 538 Y HA 0.623 5.168 4.550 -0.009 0.000 0.332 538 Y C -1.667 174.306 175.900 0.120 0.000 1.121 538 Y CA -1.053 56.916 58.100 -0.217 0.000 1.037 538 Y CB 1.485 39.639 38.460 -0.510 0.000 1.330 538 Y HN -0.187 nan 8.280 nan 0.000 0.452 539 A N 4.981 127.632 122.820 -0.281 0.000 2.456 539 A HA 0.594 4.909 4.320 -0.009 0.000 0.288 539 A C -1.717 175.845 177.584 -0.036 0.000 1.042 539 A CA -0.412 51.682 52.037 0.095 0.000 0.738 539 A CB 0.836 20.085 19.000 0.414 0.000 1.266 539 A HN 0.778 nan 8.150 nan 0.000 0.407 540 D N 0.672 121.176 120.400 0.175 0.000 2.668 540 D HA 0.452 5.087 4.640 -0.009 0.000 0.249 540 D C 1.107 177.764 176.300 0.595 0.000 1.150 540 D CA 0.346 54.512 54.000 0.276 0.000 1.090 540 D CB -0.016 40.953 40.800 0.282 0.000 1.244 540 D HN 0.189 nan 8.370 nan 0.000 0.636 541 T N -1.623 113.236 114.554 0.509 0.000 2.849 541 T HA -0.151 4.194 4.350 -0.009 0.000 0.270 541 T C 0.377 175.509 174.700 0.719 0.000 1.066 541 T CA 2.157 64.617 62.100 0.601 0.000 1.130 541 T CB -0.670 68.451 68.868 0.421 0.000 0.864 541 T HN 0.547 nan 8.240 nan 0.000 0.481 542 D N -1.210 119.526 120.400 0.560 0.000 2.433 542 D HA 0.456 5.090 4.640 -0.009 0.000 0.211 542 D C 0.762 177.122 176.300 0.099 0.000 1.114 542 D CA 0.056 54.332 54.000 0.460 0.000 0.837 542 D CB 0.413 41.436 40.800 0.373 0.000 0.984 542 D HN 0.504 nan 8.370 nan 0.000 0.505 543 G N -0.262 108.422 108.800 -0.193 0.000 2.322 543 G HA2 0.442 4.397 3.960 -0.009 0.000 0.295 543 G HA3 0.442 4.397 3.960 -0.009 0.000 0.295 543 G C -1.903 172.588 174.900 -0.680 0.000 1.369 543 G CA -0.959 43.421 45.100 -1.199 0.000 0.821 543 G HN 0.255 nan 8.290 nan 0.000 0.536 544 F N -1.582 117.749 119.950 -1.032 0.000 2.626 544 F HA 0.899 5.420 4.527 -0.009 0.000 0.311 544 F C -1.778 173.741 175.800 -0.468 0.000 1.088 544 F CA -1.954 55.829 58.000 -0.361 0.000 0.949 544 F CB 1.453 40.398 39.000 -0.091 0.000 1.322 544 F HN 0.398 nan 8.300 nan 0.000 0.461 545 F N 1.682 121.601 119.950 -0.051 0.000 2.492 545 F HA 0.897 5.418 4.527 -0.009 0.000 0.327 545 F C 0.241 176.018 175.800 -0.038 0.000 1.079 545 F CA -0.624 57.299 58.000 -0.128 0.000 0.967 545 F CB 1.996 40.858 39.000 -0.231 0.000 1.169 545 F HN 0.952 nan 8.300 nan 0.000 0.472 546 A N 1.015 123.942 122.820 0.178 0.000 2.612 546 A HA 0.786 5.101 4.320 -0.009 0.000 0.293 546 A C -1.061 176.717 177.584 0.323 0.000 1.075 546 A CA -0.591 51.580 52.037 0.223 0.000 0.680 546 A CB 1.943 21.151 19.000 0.346 0.000 1.279 546 A HN 0.678 nan 8.150 nan 0.000 0.411 547 T N 0.127 114.853 114.554 0.286 0.000 2.816 547 T HA 0.560 4.904 4.350 -0.009 0.000 0.299 547 T C -1.432 173.219 174.700 -0.081 0.000 1.230 547 T CA -0.477 61.758 62.100 0.224 0.000 1.007 547 T CB 0.852 69.823 68.868 0.173 0.000 1.289 547 T HN 0.606 nan 8.240 nan 0.000 0.508 548 I N 3.585 123.965 120.570 -0.316 0.000 2.291 548 I HA 0.304 4.468 4.170 -0.009 0.000 0.292 548 I C -2.168 173.922 176.117 -0.045 0.000 1.064 548 I CA -2.395 58.706 61.300 -0.330 0.000 1.269 548 I CB 0.572 38.330 38.000 -0.403 0.000 1.418 548 I HN 0.460 nan 8.210 nan 0.000 0.485 549 P HA -0.067 nan 4.420 nan 0.000 0.257 549 P C 1.087 178.450 177.300 0.106 0.000 1.153 549 P CA 1.145 64.344 63.100 0.166 0.000 0.762 549 P CB 0.346 32.139 31.700 0.155 0.000 0.743 550 G N 2.074 110.954 108.800 0.133 0.000 2.245 550 G HA2 -0.260 3.694 3.960 -0.009 0.000 0.264 550 G HA3 -0.260 3.694 3.960 -0.009 0.000 0.264 550 G C 0.550 175.492 174.900 0.069 0.000 0.985 550 G CA 0.194 45.349 45.100 0.090 0.000 0.625 550 G HN 0.873 nan 8.290 nan 0.000 0.536 551 A N 0.556 123.410 122.820 0.056 0.000 2.296 551 A HA 0.577 4.892 4.320 -0.009 0.000 0.264 551 A C 0.598 178.233 177.584 0.084 0.000 1.097 551 A CA 0.461 52.524 52.037 0.044 0.000 0.811 551 A CB 0.300 19.299 19.000 -0.003 0.000 1.072 551 A HN 0.759 nan 8.150 nan 0.000 0.495 552 D N -0.496 119.951 120.400 0.078 0.000 2.437 552 D HA 0.465 5.100 4.640 -0.009 0.000 0.259 552 D C 0.983 177.358 176.300 0.125 0.000 1.118 552 D CA 0.089 54.151 54.000 0.103 0.000 1.017 552 D CB 1.592 42.436 40.800 0.074 0.000 1.120 552 D HN 0.410 nan 8.370 nan 0.000 0.541 553 A N 0.710 123.619 122.820 0.148 0.000 1.865 553 A HA -0.213 4.101 4.320 -0.009 0.000 0.217 553 A C 2.189 179.754 177.584 -0.031 0.000 1.191 553 A CA 2.027 54.141 52.037 0.129 0.000 0.623 553 A CB -0.924 18.156 19.000 0.133 0.000 0.826 553 A HN 0.624 nan 8.150 nan 0.000 0.444 554 E N -0.656 119.527 120.200 -0.027 0.000 2.058 554 E HA -0.163 4.181 4.350 -0.009 0.000 0.194 554 E C 2.304 178.897 176.600 -0.011 0.000 0.997 554 E CA 1.692 58.065 56.400 -0.046 0.000 0.801 554 E CB -1.430 28.255 29.700 -0.025 0.000 0.746 554 E HN 0.866 nan 8.360 nan 0.000 0.450 555 T N 1.047 115.614 114.554 0.022 0.000 2.580 555 T HA -0.222 4.122 4.350 -0.009 0.000 0.265 555 T C 2.109 176.853 174.700 0.073 0.000 1.063 555 T CA 1.779 63.903 62.100 0.040 0.000 1.170 555 T CB -0.844 68.044 68.868 0.033 0.000 0.863 555 T HN 0.165 nan 8.240 nan 0.000 0.418 556 V N 1.809 121.783 119.914 0.100 0.000 2.278 556 V HA -0.278 3.836 4.120 -0.009 0.000 0.251 556 V C 2.583 178.840 176.094 0.272 0.000 1.062 556 V CA 1.871 64.288 62.300 0.194 0.000 1.038 556 V CB -0.588 31.408 31.823 0.289 0.000 0.646 556 V HN 0.508 nan 8.190 nan 0.000 0.447 557 K N -0.373 120.097 120.400 0.118 0.000 2.002 557 K HA -0.191 4.124 4.320 -0.009 0.000 0.209 557 K C 2.459 179.069 176.600 0.016 0.000 1.048 557 K CA 1.674 57.979 56.287 0.031 0.000 0.930 557 K CB -0.345 32.056 32.500 -0.165 0.000 0.714 557 K HN 0.244 nan 8.250 nan 0.000 0.438 558 K N 1.353 121.764 120.400 0.017 0.000 2.020 558 K HA -0.207 4.108 4.320 -0.009 0.000 0.212 558 K C 2.087 178.752 176.600 0.108 0.000 1.050 558 K CA 1.876 58.181 56.287 0.030 0.000 0.929 558 K CB -0.223 32.297 32.500 0.033 0.000 0.714 558 K HN 0.038 nan 8.250 nan 0.000 0.443 559 K N -0.129 120.391 120.400 0.200 0.000 2.147 559 K HA 0.144 4.459 4.320 -0.009 0.000 0.205 559 K C 2.000 178.834 176.600 0.389 0.000 1.049 559 K CA 1.386 57.884 56.287 0.352 0.000 0.936 559 K CB -0.638 32.095 32.500 0.388 0.000 0.722 559 K HN 0.355 nan 8.250 nan 0.000 0.446 560 A N 1.019 124.043 122.820 0.341 0.000 1.898 560 A HA -0.178 4.137 4.320 -0.009 0.000 0.216 560 A C 1.834 179.432 177.584 0.022 0.000 1.181 560 A CA 1.560 53.674 52.037 0.129 0.000 0.620 560 A CB -0.318 18.809 19.000 0.212 0.000 0.819 560 A HN 0.210 nan 8.150 nan 0.000 0.442 561 K N -0.256 120.116 120.400 -0.046 0.000 2.057 561 K HA -0.172 4.142 4.320 -0.009 0.000 0.207 561 K C 1.909 178.483 176.600 -0.042 0.000 1.049 561 K CA 1.578 57.792 56.287 -0.122 0.000 0.931 561 K CB -0.267 32.127 32.500 -0.177 0.000 0.714 561 K HN 0.616 nan 8.250 nan 0.000 0.440 562 E N 0.250 120.480 120.200 0.050 0.000 2.085 562 E HA -0.206 4.138 4.350 -0.009 0.000 0.194 562 E C 1.785 178.420 176.600 0.059 0.000 0.994 562 E CA 1.235 57.713 56.400 0.131 0.000 0.801 562 E CB -0.198 29.681 29.700 0.298 0.000 0.743 562 E HN 0.231 nan 8.360 nan 0.000 0.453 563 F N 0.998 120.750 119.950 -0.329 0.000 2.234 563 F HA -0.110 4.411 4.527 -0.009 0.000 0.299 563 F C 1.797 177.432 175.800 -0.274 0.000 1.087 563 F CA 0.943 58.499 58.000 -0.741 0.000 1.340 563 F CB -0.046 38.313 39.000 -1.067 0.000 1.031 563 F HN -0.049 nan 8.300 nan 0.000 0.500 564 L N -0.040 120.994 121.223 -0.315 0.000 2.046 564 L HA -0.247 4.088 4.340 -0.009 0.000 0.208 564 L C 1.981 178.676 176.870 -0.292 0.000 1.077 564 L CA 2.039 56.689 54.840 -0.316 0.000 0.747 564 L CB -0.682 41.283 42.059 -0.157 0.000 0.896 564 L HN 0.095 nan 8.230 nan 0.000 0.432 565 D N -1.400 118.894 120.400 -0.176 0.000 2.097 565 D HA -0.256 4.379 4.640 -0.009 0.000 0.195 565 D C 1.829 178.052 176.300 -0.128 0.000 0.989 565 D CA 1.329 55.257 54.000 -0.120 0.000 0.827 565 D CB -0.165 40.610 40.800 -0.041 0.000 0.966 565 D HN 0.296 nan 8.370 nan 0.000 0.456 566 Y N 0.711 120.889 120.300 -0.203 0.000 2.070 566 Y HA -0.232 4.313 4.550 -0.009 0.000 0.280 566 Y C 2.084 177.824 175.900 -0.267 0.000 1.148 566 Y CA 1.300 59.318 58.100 -0.136 0.000 1.125 566 Y CB -0.412 38.096 38.460 0.079 0.000 0.975 566 Y HN -0.030 nan 8.280 nan 0.000 0.492 567 I N 1.015 121.257 120.570 -0.548 0.000 2.394 567 I HA -0.259 3.905 4.170 -0.009 0.000 0.251 567 I C 1.777 177.632 176.117 -0.436 0.000 1.136 567 I CA 1.409 62.350 61.300 -0.598 0.000 1.425 567 I CB -0.625 36.911 38.000 -0.773 0.000 1.079 567 I HN 0.287 nan 8.210 nan 0.000 0.425 568 N N 0.834 119.310 118.700 -0.373 0.000 2.188 568 N HA -0.070 4.664 4.740 -0.009 0.000 0.184 568 N C 1.853 177.210 175.510 -0.255 0.000 1.018 568 N CA 1.444 54.330 53.050 -0.273 0.000 0.858 568 N CB -0.410 37.946 38.487 -0.219 0.000 0.989 568 N HN 0.478 nan 8.380 nan 0.000 0.426 569 A N 0.707 123.367 122.820 -0.267 0.000 1.929 569 A HA -0.078 4.237 4.320 -0.009 0.000 0.216 569 A C 2.181 179.604 177.584 -0.268 0.000 1.176 569 A CA 1.222 53.119 52.037 -0.234 0.000 0.628 569 A CB -0.264 18.618 19.000 -0.197 0.000 0.816 569 A HN 0.246 nan 8.150 nan 0.000 0.444 570 K N -0.631 119.538 120.400 -0.384 0.000 2.076 570 K HA 0.116 4.431 4.320 -0.009 0.000 0.204 570 K C 0.304 176.759 176.600 -0.242 0.000 1.051 570 K CA 0.069 56.140 56.287 -0.359 0.000 0.949 570 K CB -0.239 31.915 32.500 -0.576 0.000 0.726 570 K HN 0.426 nan 8.250 nan 0.000 0.443 571 L N 3.699 124.773 121.223 -0.250 0.000 2.485 571 L HA 0.091 4.426 4.340 -0.009 0.000 0.275 571 L C -1.948 174.783 176.870 -0.232 0.000 1.207 571 L CA -1.780 52.929 54.840 -0.218 0.000 0.855 571 L CB 0.259 42.160 42.059 -0.263 0.000 1.114 571 L HN 0.210 nan 8.230 nan 0.000 0.485 572 P HA 0.018 nan 4.420 nan 0.000 0.265 572 P C 0.556 177.694 177.300 -0.270 0.000 1.193 572 P CA 0.626 63.601 63.100 -0.208 0.000 0.765 572 P CB 0.712 32.312 31.700 -0.166 0.000 0.823 573 G N 2.975 111.643 108.800 -0.220 0.000 2.622 573 G HA2 -0.341 3.614 3.960 -0.009 0.000 0.307 573 G HA3 -0.341 3.614 3.960 -0.009 0.000 0.307 573 G C 0.471 175.233 174.900 -0.229 0.000 1.226 573 G CA 0.319 45.285 45.100 -0.223 0.000 0.997 573 G HN 0.510 nan 8.290 nan 0.000 0.551 574 L N 0.668 121.742 121.223 -0.248 0.000 2.591 574 L HA 0.418 4.752 4.340 -0.009 0.000 0.228 574 L C 0.950 177.675 176.870 -0.241 0.000 1.133 574 L CA 0.246 54.952 54.840 -0.223 0.000 0.880 574 L CB -0.421 41.514 42.059 -0.208 0.000 1.033 574 L HN 0.376 nan 8.230 nan 0.000 0.450 575 L N -0.016 121.028 121.223 -0.298 0.000 2.410 575 L HA 0.269 4.603 4.340 -0.009 0.000 0.273 575 L C 0.161 176.873 176.870 -0.262 0.000 1.152 575 L CA 0.552 55.198 54.840 -0.325 0.000 0.855 575 L CB 0.348 42.116 42.059 -0.485 0.000 1.129 575 L HN 0.095 nan 8.230 nan 0.000 0.463 576 E N 1.766 121.836 120.200 -0.217 0.000 2.321 576 E HA 0.491 4.835 4.350 -0.009 0.000 0.281 576 E C -1.398 175.125 176.600 -0.128 0.000 0.910 576 E CA -0.674 55.622 56.400 -0.174 0.000 0.770 576 E CB 1.440 31.047 29.700 -0.154 0.000 1.225 576 E HN 0.263 nan 8.360 nan 0.000 0.417 577 L N 2.224 123.384 121.223 -0.104 0.000 2.475 577 L HA 0.425 4.759 4.340 -0.009 0.000 0.253 577 L C -0.022 176.803 176.870 -0.075 0.000 1.198 577 L CA 0.465 55.275 54.840 -0.049 0.000 0.814 577 L CB 0.693 42.752 42.059 -0.001 0.000 1.134 577 L HN 0.563 nan 8.230 nan 0.000 0.478 578 E N -0.523 119.628 120.200 -0.081 0.000 2.340 578 E HA 0.184 4.529 4.350 -0.009 0.000 0.273 578 E C -1.816 174.746 176.600 -0.064 0.000 0.891 578 E CA -0.759 55.605 56.400 -0.059 0.000 0.757 578 E CB 2.160 31.828 29.700 -0.053 0.000 1.231 578 E HN 0.386 nan 8.360 nan 0.000 0.439 579 Y N 2.492 122.710 120.300 -0.138 0.000 2.535 579 Y HA 0.127 4.672 4.550 -0.009 0.000 0.349 579 Y C 0.240 176.086 175.900 -0.089 0.000 0.992 579 Y CA 0.005 58.023 58.100 -0.137 0.000 1.248 579 Y CB 0.506 38.903 38.460 -0.105 0.000 1.124 579 Y HN 0.442 nan 8.280 nan 0.000 0.520 580 E N 4.577 124.576 120.200 -0.335 0.000 2.423 580 E HA 0.328 4.673 4.350 -0.009 0.000 0.198 580 E C 0.209 176.666 176.600 -0.238 0.000 1.038 580 E CA 0.311 56.610 56.400 -0.168 0.000 1.011 580 E CB 0.163 29.884 29.700 0.036 0.000 1.118 580 E HN 0.924 nan 8.360 nan 0.000 0.451 581 G N 0.899 109.349 108.800 -0.582 0.000 2.334 581 G HA2 0.026 3.981 3.960 -0.009 0.000 0.566 581 G HA3 0.026 3.981 3.960 -0.009 0.000 0.566 581 G C -1.736 172.893 174.900 -0.450 0.000 1.413 581 G CA -1.036 43.786 45.100 -0.463 0.000 0.993 581 G HN 0.067 nan 8.290 nan 0.000 0.642 582 F N 0.485 120.093 119.950 -0.570 0.000 2.565 582 F HA 0.861 5.383 4.527 -0.009 0.000 0.313 582 F C -1.358 174.105 175.800 -0.561 0.000 1.091 582 F CA -1.229 56.571 58.000 -0.334 0.000 0.915 582 F CB 1.821 40.794 39.000 -0.045 0.000 1.208 582 F HN 0.571 nan 8.300 nan 0.000 0.453 583 Y N 4.667 124.476 120.300 -0.818 0.000 2.442 583 Y HA 0.367 4.911 4.550 -0.009 0.000 0.344 583 Y C 0.825 176.310 175.900 -0.693 0.000 0.976 583 Y CA -1.030 56.760 58.100 -0.516 0.000 1.040 583 Y CB 2.164 40.525 38.460 -0.166 0.000 1.228 583 Y HN 0.590 nan 8.280 nan 0.000 0.451 584 K N 1.861 122.146 120.400 -0.193 0.000 2.009 584 K HA -0.072 4.243 4.320 -0.009 0.000 0.210 584 K C 0.215 176.823 176.600 0.013 0.000 1.049 584 K CA 1.639 57.894 56.287 -0.054 0.000 0.929 584 K CB 0.240 32.774 32.500 0.055 0.000 0.714 584 K HN 0.755 nan 8.250 nan 0.000 0.440 585 R N -2.023 118.505 120.500 0.048 0.000 2.795 585 R HA 0.629 4.964 4.340 -0.009 0.000 0.268 585 R C -0.805 175.528 176.300 0.055 0.000 1.041 585 R CA -0.947 55.212 56.100 0.099 0.000 0.927 585 R CB 1.592 31.964 30.300 0.120 0.000 1.235 585 R HN 0.134 nan 8.270 nan 0.000 0.463 586 G N 0.143 108.992 108.800 0.082 0.000 2.489 586 G HA2 0.530 4.485 3.960 -0.009 0.000 0.291 586 G HA3 0.530 4.485 3.960 -0.009 0.000 0.291 586 G C -1.783 173.043 174.900 -0.123 0.000 1.487 586 G CA -0.785 44.200 45.100 -0.191 0.000 0.795 586 G HN 0.628 nan 8.290 nan 0.000 0.513 587 F N -1.439 118.117 119.950 -0.656 0.000 2.645 587 F HA 0.904 5.426 4.527 -0.009 0.000 0.310 587 F C -2.103 173.167 175.800 -0.883 0.000 1.102 587 F CA -2.321 55.399 58.000 -0.467 0.000 0.952 587 F CB 1.713 40.663 39.000 -0.084 0.000 1.326 587 F HN 0.375 nan 8.300 nan 0.000 0.456 588 F N 1.921 121.983 119.950 0.187 0.000 2.612 588 F HA 0.539 5.060 4.527 -0.009 0.000 0.332 588 F C 0.175 176.086 175.800 0.185 0.000 1.167 588 F CA -0.818 57.218 58.000 0.060 0.000 0.970 588 F CB 1.753 40.769 39.000 0.027 0.000 1.234 588 F HN 0.422 nan 8.300 nan 0.000 0.453 589 V N 0.430 120.508 119.914 0.272 0.000 2.374 589 V HA 0.032 4.146 4.120 -0.009 0.000 0.241 589 V C 1.019 177.239 176.094 0.211 0.000 1.034 589 V CA 1.712 64.152 62.300 0.234 0.000 1.037 589 V CB -0.023 31.920 31.823 0.200 0.000 0.682 589 V HN 0.840 nan 8.190 nan 0.000 0.463 590 T N -4.007 110.691 114.554 0.239 0.000 2.654 590 T HA 0.311 4.656 4.350 -0.009 0.000 0.289 590 T C 0.636 175.516 174.700 0.300 0.000 1.062 590 T CA -0.564 61.665 62.100 0.214 0.000 1.041 590 T CB 1.705 70.661 68.868 0.147 0.000 1.417 590 T HN -0.029 nan 8.240 nan 0.000 0.510 591 K N 0.127 120.642 120.400 0.191 0.000 2.207 591 K HA -0.163 4.152 4.320 -0.009 0.000 0.208 591 K C 1.563 178.352 176.600 0.316 0.000 1.046 591 K CA 1.952 58.326 56.287 0.144 0.000 0.929 591 K CB -0.152 32.390 32.500 0.070 0.000 0.720 591 K HN 0.401 nan 8.250 nan 0.000 0.463 592 K N -0.124 120.498 120.400 0.369 0.000 2.481 592 K HA 0.169 4.483 4.320 -0.009 0.000 0.210 592 K C -0.381 176.376 176.600 0.261 0.000 1.161 592 K CA 0.141 56.644 56.287 0.359 0.000 1.023 592 K CB 1.077 33.691 32.500 0.190 0.000 0.971 592 K HN 0.182 nan 8.250 nan 0.000 0.577 593 K N 0.657 121.189 120.400 0.220 0.000 2.427 593 K HA 0.640 4.955 4.320 -0.009 0.000 0.252 593 K C -1.193 175.358 176.600 -0.081 0.000 0.931 593 K CA -1.028 55.221 56.287 -0.063 0.000 0.793 593 K CB 2.150 34.633 32.500 -0.029 0.000 1.211 593 K HN 0.193 nan 8.250 nan 0.000 0.426 594 Y N -1.491 118.601 120.300 -0.346 0.000 2.779 594 Y HA 0.748 5.293 4.550 -0.009 0.000 0.340 594 Y C -2.023 173.389 175.900 -0.814 0.000 1.252 594 Y CA -1.495 56.196 58.100 -0.682 0.000 1.072 594 Y CB 1.036 38.966 38.460 -0.884 0.000 1.343 594 Y HN 0.613 nan 8.280 nan 0.000 0.450 595 A N 1.011 123.258 122.820 -0.956 0.000 2.488 595 A HA 0.852 5.167 4.320 -0.009 0.000 0.298 595 A C -1.448 175.666 177.584 -0.784 0.000 1.044 595 A CA -0.238 51.318 52.037 -0.802 0.000 0.693 595 A CB 1.360 19.842 19.000 -0.863 0.000 1.272 595 A HN 1.969 nan 8.150 nan 0.000 0.402 596 V N -0.097 119.520 119.914 -0.495 0.000 3.049 596 V HA 0.876 4.991 4.120 -0.009 0.000 0.309 596 V C -0.721 175.258 176.094 -0.191 0.000 1.148 596 V CA -0.754 61.289 62.300 -0.429 0.000 0.990 596 V CB 1.742 33.138 31.823 -0.711 0.000 1.039 596 V HN 1.124 nan 8.190 nan 0.000 0.430 597 I N 2.389 122.938 120.570 -0.034 0.000 2.582 597 I HA 0.615 4.780 4.170 -0.009 0.000 0.292 597 I C -0.641 175.577 176.117 0.168 0.000 1.066 597 I CA -0.293 61.041 61.300 0.055 0.000 1.053 597 I CB 2.095 40.095 38.000 -0.001 0.000 1.241 597 I HN 1.124 nan 8.210 nan 0.000 0.421 598 D N 4.617 125.116 120.400 0.164 0.000 2.507 598 D HA 0.156 4.791 4.640 -0.009 0.000 0.280 598 D C 0.220 176.560 176.300 0.067 0.000 1.219 598 D CA -0.254 53.804 54.000 0.097 0.000 1.085 598 D CB 0.478 41.295 40.800 0.029 0.000 1.134 598 D HN 0.487 nan 8.370 nan 0.000 0.583 599 E N -1.119 119.128 120.200 0.078 0.000 2.502 599 E HA -0.007 4.338 4.350 -0.009 0.000 0.194 599 E C 0.316 176.953 176.600 0.061 0.000 1.062 599 E CA 0.286 56.749 56.400 0.106 0.000 0.867 599 E CB 0.095 29.893 29.700 0.162 0.000 0.888 599 E HN 0.447 nan 8.360 nan 0.000 0.510 600 E N 0.130 120.354 120.200 0.039 0.000 2.562 600 E HA 0.019 4.364 4.350 -0.009 0.000 0.214 600 E C -0.450 176.160 176.600 0.016 0.000 0.979 600 E CA -0.023 56.391 56.400 0.024 0.000 1.002 600 E CB 0.702 30.409 29.700 0.013 0.000 1.048 600 E HN 0.029 nan 8.360 nan 0.000 0.488 601 D N -0.103 120.308 120.400 0.019 0.000 2.981 601 D HA -0.122 4.512 4.640 -0.009 0.000 0.203 601 D C 0.175 176.472 176.300 -0.005 0.000 1.049 601 D CA 1.500 55.501 54.000 0.001 0.000 1.003 601 D CB -1.529 39.263 40.800 -0.014 0.000 1.085 601 D HN 0.296 nan 8.370 nan 0.000 0.432 602 K N 0.861 121.265 120.400 0.008 0.000 2.336 602 K HA 0.486 4.800 4.320 -0.009 0.000 0.290 602 K C 0.691 177.294 176.600 0.004 0.000 1.067 602 K CA -0.007 56.281 56.287 0.001 0.000 0.962 602 K CB -0.525 31.979 32.500 0.006 0.000 1.008 602 K HN 0.332 nan 8.250 nan 0.000 0.467 603 I N 2.034 122.588 120.570 -0.027 0.000 2.754 603 I HA 0.139 4.303 4.170 -0.009 0.000 0.285 603 I C 0.575 176.652 176.117 -0.065 0.000 1.166 603 I CA 0.388 61.656 61.300 -0.053 0.000 1.417 603 I CB 1.316 39.272 38.000 -0.072 0.000 1.382 603 I HN 0.651 nan 8.210 nan 0.000 0.588 604 T N 3.131 117.625 114.554 -0.100 0.000 2.921 604 T HA 0.502 4.847 4.350 -0.009 0.000 0.297 604 T C -0.230 174.349 174.700 -0.203 0.000 1.013 604 T CA -0.798 61.232 62.100 -0.118 0.000 0.990 604 T CB 1.720 70.546 68.868 -0.070 0.000 1.023 604 T HN 0.781 nan 8.240 nan 0.000 0.447 605 T N 0.652 115.063 114.554 -0.237 0.000 2.910 605 T HA 0.866 5.211 4.350 -0.009 0.000 0.287 605 T C -1.040 173.388 174.700 -0.453 0.000 1.050 605 T CA -1.011 60.877 62.100 -0.354 0.000 1.011 605 T CB 2.164 70.862 68.868 -0.284 0.000 1.195 605 T HN 0.496 nan 8.240 nan 0.000 0.540 606 R N -0.588 119.538 120.500 -0.623 0.000 2.508 606 R HA 0.564 4.899 4.340 -0.009 0.000 0.283 606 R C 0.533 176.582 176.300 -0.418 0.000 1.120 606 R CA 0.720 56.472 56.100 -0.581 0.000 0.958 606 R CB 0.926 30.639 30.300 -0.979 0.000 1.215 606 R HN 1.530 nan 8.270 nan 0.000 0.427 607 G N 2.841 111.499 108.800 -0.237 0.000 2.179 607 G HA2 -0.276 3.678 3.960 -0.009 0.000 0.257 607 G HA3 -0.276 3.678 3.960 -0.009 0.000 0.257 607 G C 0.134 174.963 174.900 -0.119 0.000 1.010 607 G CA 0.724 45.740 45.100 -0.140 0.000 0.736 607 G HN 0.492 nan 8.290 nan 0.000 0.513 608 L N -1.439 119.695 121.223 -0.149 0.000 2.730 608 L HA 0.342 4.677 4.340 -0.009 0.000 0.236 608 L C 1.315 178.128 176.870 -0.095 0.000 1.061 608 L CA -0.192 54.584 54.840 -0.106 0.000 0.898 608 L CB 0.052 42.035 42.059 -0.127 0.000 1.270 608 L HN 0.200 nan 8.230 nan 0.000 0.500 609 E N 1.466 121.590 120.200 -0.126 0.000 2.534 609 E HA -0.020 4.325 4.350 -0.009 0.000 0.264 609 E C -0.136 176.396 176.600 -0.113 0.000 0.981 609 E CA 0.238 56.559 56.400 -0.132 0.000 0.948 609 E CB 0.394 30.000 29.700 -0.156 0.000 0.934 609 E HN 0.053 nan 8.360 nan 0.000 0.459 610 I N 4.354 124.849 120.570 -0.126 0.000 2.668 610 I HA -0.090 4.074 4.170 -0.009 0.000 0.285 610 I C 1.186 177.220 176.117 -0.138 0.000 1.168 610 I CA 0.132 61.365 61.300 -0.111 0.000 1.424 610 I CB 0.386 38.319 38.000 -0.112 0.000 1.377 610 I HN 0.470 nan 8.210 nan 0.000 0.560 611 V N 3.423 123.292 119.914 -0.075 0.000 3.548 611 V HA 0.172 4.286 4.120 -0.009 0.000 0.279 611 V C 0.979 177.074 176.094 0.001 0.000 1.446 611 V CA -0.387 61.877 62.300 -0.060 0.000 1.023 611 V CB -0.398 31.402 31.823 -0.039 0.000 0.820 611 V HN 0.809 nan 8.190 nan 0.000 0.438 612 R N 1.265 121.790 120.500 0.041 0.000 2.734 612 R HA 0.249 4.583 4.340 -0.009 0.000 0.266 612 R C 0.887 177.308 176.300 0.202 0.000 1.044 612 R CA -0.028 56.133 56.100 0.101 0.000 1.128 612 R CB 0.566 30.926 30.300 0.100 0.000 1.010 612 R HN 0.312 nan 8.270 nan 0.000 0.461 613 R N 0.716 121.321 120.500 0.175 0.000 2.075 613 R HA -0.092 4.242 4.340 -0.009 0.000 0.232 613 R C 0.176 176.604 176.300 0.214 0.000 1.126 613 R CA 1.639 57.865 56.100 0.209 0.000 0.963 613 R CB -0.250 30.110 30.300 0.100 0.000 0.858 613 R HN 0.771 nan 8.270 nan 0.000 0.435 614 D N 1.373 121.851 120.400 0.129 0.000 3.057 614 D HA -0.031 4.604 4.640 -0.009 0.000 0.246 614 D C 0.292 176.613 176.300 0.036 0.000 1.238 614 D CA -0.445 53.571 54.000 0.025 0.000 0.949 614 D CB -0.586 40.261 40.800 0.078 0.000 1.086 614 D HN 0.255 nan 8.370 nan 0.000 0.487 615 W N 0.865 122.152 121.300 -0.022 0.000 2.116 615 W HA 0.587 5.241 4.660 -0.009 0.000 0.374 615 W C -0.428 176.068 176.519 -0.039 0.000 1.445 615 W CA -1.067 56.261 57.345 -0.027 0.000 1.582 615 W CB -0.240 29.210 29.460 -0.017 0.000 1.263 615 W HN 0.087 nan 8.180 nan 0.000 0.683 616 S N -1.732 114.099 115.700 0.219 0.000 2.540 616 S HA 0.165 4.630 4.470 -0.009 0.000 0.275 616 S C 0.295 175.050 174.600 0.259 0.000 1.123 616 S CA -0.291 57.926 58.200 0.029 0.000 0.907 616 S CB 2.414 65.647 63.200 0.054 0.000 1.081 616 S HN 0.535 nan 8.310 nan 0.000 0.476 617 E N 1.172 121.463 120.200 0.152 0.000 2.108 617 E HA -0.229 4.115 4.350 -0.009 0.000 0.203 617 E C 1.672 178.342 176.600 0.117 0.000 1.022 617 E CA 2.062 58.583 56.400 0.203 0.000 0.823 617 E CB -0.612 29.125 29.700 0.061 0.000 0.744 617 E HN 0.715 nan 8.360 nan 0.000 0.456 618 I N 0.732 121.327 120.570 0.042 0.000 2.163 618 I HA -0.144 4.021 4.170 -0.009 0.000 0.243 618 I C 2.501 178.646 176.117 0.047 0.000 1.085 618 I CA 1.871 63.179 61.300 0.013 0.000 1.347 618 I CB -1.278 36.697 38.000 -0.042 0.000 1.044 618 I HN 0.335 nan 8.210 nan 0.000 0.408 619 A N 0.068 122.940 122.820 0.087 0.000 1.865 619 A HA -0.280 4.035 4.320 -0.009 0.000 0.217 619 A C 2.432 180.051 177.584 0.057 0.000 1.191 619 A CA 2.147 54.228 52.037 0.073 0.000 0.623 619 A CB -0.716 18.341 19.000 0.095 0.000 0.826 619 A HN 0.450 nan 8.150 nan 0.000 0.444 620 K N -0.919 119.540 120.400 0.098 0.000 2.057 620 K HA -0.158 4.157 4.320 -0.009 0.000 0.206 620 K C 2.182 178.784 176.600 0.002 0.000 1.050 620 K CA 1.369 57.667 56.287 0.019 0.000 0.935 620 K CB -0.158 32.331 32.500 -0.019 0.000 0.715 620 K HN 0.688 nan 8.250 nan 0.000 0.439 621 E N 0.228 120.445 120.200 0.029 0.000 2.110 621 E HA -0.161 4.184 4.350 -0.009 0.000 0.193 621 E C 1.439 178.035 176.600 -0.008 0.000 0.988 621 E CA 1.405 57.809 56.400 0.008 0.000 0.804 621 E CB 0.185 29.892 29.700 0.011 0.000 0.745 621 E HN 0.217 nan 8.360 nan 0.000 0.458 622 T N 0.595 115.145 114.554 -0.007 0.000 2.851 622 T HA -0.136 4.209 4.350 -0.009 0.000 0.262 622 T C 1.795 176.480 174.700 -0.025 0.000 1.043 622 T CA 0.979 63.068 62.100 -0.019 0.000 1.140 622 T CB -0.133 68.724 68.868 -0.017 0.000 0.872 622 T HN 0.220 nan 8.240 nan 0.000 0.446 623 Q N 0.879 120.665 119.800 -0.023 0.000 2.020 623 Q HA -0.142 4.193 4.340 -0.009 0.000 0.202 623 Q C 2.597 178.579 176.000 -0.030 0.000 0.982 623 Q CA 1.651 57.438 55.803 -0.027 0.000 0.838 623 Q CB -0.351 28.367 28.738 -0.032 0.000 0.899 623 Q HN 0.514 nan 8.270 nan 0.000 0.423 624 A N 1.302 124.099 122.820 -0.037 0.000 1.927 624 A HA -0.258 4.056 4.320 -0.009 0.000 0.220 624 A C 2.083 179.651 177.584 -0.027 0.000 1.185 624 A CA 1.870 53.884 52.037 -0.038 0.000 0.639 624 A CB -0.600 18.377 19.000 -0.039 0.000 0.820 624 A HN 0.399 nan 8.150 nan 0.000 0.451 625 R N -1.015 119.471 120.500 -0.023 0.000 2.073 625 R HA -0.028 4.306 4.340 -0.009 0.000 0.229 625 R C 2.095 178.379 176.300 -0.025 0.000 1.120 625 R CA 1.239 57.328 56.100 -0.018 0.000 0.967 625 R CB -0.615 29.672 30.300 -0.021 0.000 0.862 625 R HN 0.402 nan 8.270 nan 0.000 0.436 626 V N 1.963 121.853 119.914 -0.039 0.000 2.255 626 V HA -0.268 3.847 4.120 -0.009 0.000 0.247 626 V C 2.398 178.466 176.094 -0.044 0.000 1.051 626 V CA 1.822 64.085 62.300 -0.061 0.000 1.018 626 V CB -0.463 31.321 31.823 -0.065 0.000 0.641 626 V HN 0.270 nan 8.190 nan 0.000 0.445 627 L N -0.325 120.894 121.223 -0.008 0.000 2.012 627 L HA -0.231 4.104 4.340 -0.009 0.000 0.210 627 L C 2.629 179.497 176.870 -0.002 0.000 1.073 627 L CA 2.096 56.953 54.840 0.029 0.000 0.748 627 L CB -0.695 41.373 42.059 0.015 0.000 0.891 627 L HN 0.434 nan 8.230 nan 0.000 0.431 628 E N 0.345 120.531 120.200 -0.023 0.000 2.118 628 E HA -0.263 4.081 4.350 -0.009 0.000 0.195 628 E C 2.184 178.763 176.600 -0.034 0.000 0.992 628 E CA 1.268 57.641 56.400 -0.046 0.000 0.804 628 E CB 0.049 29.739 29.700 -0.017 0.000 0.741 628 E HN 0.486 nan 8.360 nan 0.000 0.458 629 A N 0.988 123.814 122.820 0.010 0.000 1.855 629 A HA -0.147 4.167 4.320 -0.009 0.000 0.215 629 A C 2.149 179.722 177.584 -0.018 0.000 1.191 629 A CA 1.259 53.321 52.037 0.042 0.000 0.613 629 A CB -0.557 18.425 19.000 -0.030 0.000 0.829 629 A HN 0.276 nan 8.150 nan 0.000 0.442 630 I N -0.527 119.996 120.570 -0.079 0.000 2.133 630 I HA -0.237 3.928 4.170 -0.009 0.000 0.238 630 I C 2.395 178.507 176.117 -0.008 0.000 1.074 630 I CA 1.317 62.553 61.300 -0.108 0.000 1.342 630 I CB -0.296 37.608 38.000 -0.161 0.000 1.053 630 I HN 0.266 nan 8.210 nan 0.000 0.404 631 L N -0.069 121.166 121.223 0.020 0.000 2.162 631 L HA -0.094 4.241 4.340 -0.009 0.000 0.205 631 L C 2.506 179.344 176.870 -0.053 0.000 1.086 631 L CA 1.058 55.910 54.840 0.019 0.000 0.778 631 L CB -0.397 41.670 42.059 0.014 0.000 0.928 631 L HN 0.139 nan 8.230 nan 0.000 0.446 632 K N -1.042 119.263 120.400 -0.157 0.000 2.137 632 K HA -0.037 4.278 4.320 -0.009 0.000 0.202 632 K C 1.648 178.017 176.600 -0.385 0.000 1.052 632 K CA 0.745 56.841 56.287 -0.319 0.000 0.961 632 K CB 0.289 32.489 32.500 -0.500 0.000 0.741 632 K HN 0.339 nan 8.250 nan 0.000 0.452 633 H N -1.185 117.881 119.070 -0.005 0.000 2.755 633 H HA 0.186 4.737 4.556 -0.009 0.000 0.273 633 H C 0.384 175.702 175.328 -0.018 0.000 1.055 633 H CA 0.530 56.571 56.048 -0.011 0.000 1.191 633 H CB 0.868 30.616 29.762 -0.023 0.000 1.536 633 H HN 0.368 nan 8.280 nan 0.000 0.529 634 G N 2.455 111.283 108.800 0.047 0.000 2.386 634 G HA2 -0.260 3.695 3.960 -0.009 0.000 0.295 634 G HA3 -0.260 3.695 3.960 -0.009 0.000 0.295 634 G C -0.492 174.403 174.900 -0.009 0.000 0.979 634 G CA 0.860 45.972 45.100 0.019 0.000 1.193 634 G HN 0.448 nan 8.290 nan 0.000 0.508 635 D N -0.079 120.292 120.400 -0.049 0.000 2.429 635 D HA 0.332 4.966 4.640 -0.009 0.000 0.255 635 D C 1.298 177.496 176.300 -0.171 0.000 1.257 635 D CA -0.307 53.647 54.000 -0.077 0.000 0.890 635 D CB 0.786 41.570 40.800 -0.026 0.000 1.267 635 D HN 0.026 nan 8.370 nan 0.000 0.521 636 V N 2.469 122.226 119.914 -0.262 0.000 2.490 636 V HA -0.164 3.950 4.120 -0.009 0.000 0.250 636 V C 2.214 178.101 176.094 -0.346 0.000 1.061 636 V CA 1.542 63.579 62.300 -0.438 0.000 1.064 636 V CB -0.270 31.211 31.823 -0.570 0.000 0.670 636 V HN 0.478 nan 8.190 nan 0.000 0.461 637 E N -0.149 119.931 120.200 -0.199 0.000 2.106 637 E HA -0.246 4.099 4.350 -0.009 0.000 0.192 637 E C 2.253 178.755 176.600 -0.165 0.000 0.984 637 E CA 1.161 57.466 56.400 -0.160 0.000 0.806 637 E CB -0.076 29.591 29.700 -0.054 0.000 0.750 637 E HN 0.556 nan 8.360 nan 0.000 0.458 638 E N 1.012 121.130 120.200 -0.136 0.000 2.058 638 E HA -0.199 4.146 4.350 -0.009 0.000 0.194 638 E C 1.806 178.321 176.600 -0.142 0.000 0.997 638 E CA 1.561 57.891 56.400 -0.116 0.000 0.801 638 E CB -0.296 29.352 29.700 -0.087 0.000 0.746 638 E HN 0.239 nan 8.360 nan 0.000 0.450 639 A N -0.114 122.592 122.820 -0.191 0.000 1.978 639 A HA -0.140 4.175 4.320 -0.009 0.000 0.220 639 A C 2.474 179.918 177.584 -0.234 0.000 1.170 639 A CA 1.681 53.594 52.037 -0.207 0.000 0.636 639 A CB -0.567 18.271 19.000 -0.271 0.000 0.810 639 A HN 0.209 nan 8.150 nan 0.000 0.448 640 V N -0.436 119.291 119.914 -0.311 0.000 2.488 640 V HA -0.170 3.945 4.120 -0.009 0.000 0.246 640 V C 2.548 178.538 176.094 -0.175 0.000 1.046 640 V CA 1.886 63.994 62.300 -0.321 0.000 1.053 640 V CB -0.764 30.741 31.823 -0.529 0.000 0.679 640 V HN 0.612 nan 8.190 nan 0.000 0.458 641 R N 0.044 120.461 120.500 -0.137 0.000 2.083 641 R HA -0.163 4.172 4.340 -0.009 0.000 0.237 641 R C 2.293 178.549 176.300 -0.073 0.000 1.137 641 R CA 1.966 58.017 56.100 -0.081 0.000 0.951 641 R CB -0.353 29.906 30.300 -0.068 0.000 0.851 641 R HN 0.445 nan 8.270 nan 0.000 0.434 642 I N 0.122 120.641 120.570 -0.085 0.000 2.163 642 I HA -0.286 3.879 4.170 -0.009 0.000 0.243 642 I C 2.278 178.355 176.117 -0.067 0.000 1.085 642 I CA 1.139 62.396 61.300 -0.071 0.000 1.347 642 I CB -0.161 37.797 38.000 -0.070 0.000 1.044 642 I HN 0.041 nan 8.210 nan 0.000 0.408 643 V N 0.542 120.408 119.914 -0.080 0.000 2.358 643 V HA -0.273 3.842 4.120 -0.009 0.000 0.246 643 V C 2.463 178.530 176.094 -0.044 0.000 1.047 643 V CA 1.712 63.974 62.300 -0.063 0.000 1.035 643 V CB -0.670 31.108 31.823 -0.075 0.000 0.658 643 V HN 0.357 nan 8.190 nan 0.000 0.452 644 K N -0.144 120.232 120.400 -0.040 0.000 2.026 644 K HA -0.251 4.064 4.320 -0.009 0.000 0.208 644 K C 2.279 178.858 176.600 -0.035 0.000 1.048 644 K CA 1.913 58.197 56.287 -0.004 0.000 0.929 644 K CB -0.176 32.335 32.500 0.018 0.000 0.713 644 K HN 0.585 nan 8.250 nan 0.000 0.439 645 E N 0.592 120.760 120.200 -0.053 0.000 2.085 645 E HA -0.176 4.169 4.350 -0.009 0.000 0.194 645 E C 1.862 178.400 176.600 -0.102 0.000 0.994 645 E CA 1.124 57.475 56.400 -0.081 0.000 0.801 645 E CB 0.148 29.812 29.700 -0.060 0.000 0.743 645 E HN 0.013 nan 8.360 nan 0.000 0.453 646 V N 1.145 121.015 119.914 -0.074 0.000 2.427 646 V HA -0.249 3.866 4.120 -0.009 0.000 0.248 646 V C 2.587 178.637 176.094 -0.073 0.000 1.051 646 V CA 2.168 64.428 62.300 -0.066 0.000 1.048 646 V CB -0.784 31.012 31.823 -0.045 0.000 0.666 646 V HN 0.569 nan 8.190 nan 0.000 0.456 647 T N -1.446 113.068 114.554 -0.066 0.000 2.904 647 T HA -0.206 4.138 4.350 -0.009 0.000 0.267 647 T C 1.684 176.292 174.700 -0.153 0.000 1.059 647 T CA 1.489 63.560 62.100 -0.049 0.000 1.137 647 T CB -0.195 68.684 68.868 0.017 0.000 0.879 647 T HN 0.647 nan 8.240 nan 0.000 0.467 648 E N 1.682 121.680 120.200 -0.336 0.000 2.007 648 E HA -0.167 4.177 4.350 -0.009 0.000 0.194 648 E C 2.267 178.596 176.600 -0.451 0.000 0.999 648 E CA 1.059 56.978 56.400 -0.802 0.000 0.811 648 E CB -0.171 28.979 29.700 -0.918 0.000 0.762 648 E HN 0.433 nan 8.360 nan 0.000 0.450 649 K N 0.250 120.492 120.400 -0.264 0.000 2.113 649 K HA -0.175 4.140 4.320 -0.009 0.000 0.208 649 K C 2.298 178.846 176.600 -0.086 0.000 1.047 649 K CA 1.468 57.671 56.287 -0.140 0.000 0.928 649 K CB -0.199 32.250 32.500 -0.084 0.000 0.716 649 K HN 0.257 nan 8.250 nan 0.000 0.446 650 L N 0.647 121.824 121.223 -0.077 0.000 1.994 650 L HA -0.219 4.116 4.340 -0.009 0.000 0.208 650 L C 2.494 179.302 176.870 -0.104 0.000 1.071 650 L CA 1.781 56.630 54.840 0.015 0.000 0.745 650 L CB -0.565 41.515 42.059 0.035 0.000 0.892 650 L HN 0.290 nan 8.230 nan 0.000 0.431 651 S N -1.087 114.506 115.700 -0.180 0.000 2.423 651 S HA -0.132 4.333 4.470 -0.009 0.000 0.231 651 S C 1.357 175.715 174.600 -0.403 0.000 1.014 651 S CA 0.708 58.744 58.200 -0.274 0.000 0.965 651 S CB -0.257 62.904 63.200 -0.064 0.000 0.785 651 S HN 0.343 nan 8.310 nan 0.000 0.495 652 K N 1.133 121.374 120.400 -0.264 0.000 2.994 652 K HA 0.190 4.504 4.320 -0.009 0.000 0.231 652 K C -0.949 175.621 176.600 -0.050 0.000 1.174 652 K CA -0.494 55.716 56.287 -0.128 0.000 1.221 652 K CB -0.487 31.975 32.500 -0.063 0.000 1.166 652 K HN 0.386 nan 8.250 nan 0.000 0.453 653 Y N 0.989 121.243 120.300 -0.077 0.000 2.909 653 Y HA -0.286 4.259 4.550 -0.009 0.000 0.221 653 Y C -0.008 175.937 175.900 0.075 0.000 1.093 653 Y CA 0.648 58.684 58.100 -0.107 0.000 1.007 653 Y CB -1.989 36.304 38.460 -0.277 0.000 1.142 653 Y HN 0.392 nan 8.280 nan 0.000 0.545 654 E N -1.451 118.852 120.200 0.172 0.000 2.685 654 E HA 0.344 4.689 4.350 -0.009 0.000 0.208 654 E C -0.513 176.151 176.600 0.106 0.000 0.996 654 E CA -0.250 56.228 56.400 0.130 0.000 1.054 654 E CB 0.805 30.541 29.700 0.059 0.000 1.075 654 E HN 0.178 nan 8.360 nan 0.000 0.460 655 V N 3.202 123.210 119.914 0.158 0.000 2.328 655 V HA 0.223 4.337 4.120 -0.009 0.000 0.278 655 V C -2.175 173.920 176.094 0.002 0.000 1.021 655 V CA -2.381 59.934 62.300 0.026 0.000 0.838 655 V CB 0.939 32.715 31.823 -0.078 0.000 0.999 655 V HN 0.097 nan 8.190 nan 0.000 0.447 656 P HA -0.034 nan 4.420 nan 0.000 0.252 656 P C -1.801 175.439 177.300 -0.100 0.000 1.147 656 P CA -0.601 62.500 63.100 0.002 0.000 0.779 656 P CB 0.024 31.716 31.700 -0.014 0.000 0.733 657 P HA -0.204 nan 4.420 nan 0.000 0.220 657 P C 1.099 178.141 177.300 -0.430 0.000 1.144 657 P CA 1.374 64.320 63.100 -0.257 0.000 0.800 657 P CB 0.259 31.910 31.700 -0.082 0.000 0.772 658 E N 1.072 121.099 120.200 -0.288 0.000 2.049 658 E HA -0.184 4.161 4.350 -0.009 0.000 0.198 658 E C 1.824 178.140 176.600 -0.473 0.000 1.007 658 E CA 1.440 57.550 56.400 -0.485 0.000 0.809 658 E CB -0.904 28.684 29.700 -0.186 0.000 0.749 658 E HN 0.322 nan 8.360 nan 0.000 0.450 659 K N 0.102 120.314 120.400 -0.314 0.000 2.589 659 K HA -0.079 4.236 4.320 -0.009 0.000 0.195 659 K C 1.020 177.428 176.600 -0.320 0.000 1.040 659 K CA 0.578 56.713 56.287 -0.254 0.000 0.950 659 K CB -0.055 32.338 32.500 -0.178 0.000 0.781 659 K HN 0.185 nan 8.250 nan 0.000 0.486 660 L N 0.228 121.156 121.223 -0.492 0.000 2.766 660 L HA 0.125 4.459 4.340 -0.009 0.000 0.242 660 L C 0.020 176.645 176.870 -0.409 0.000 1.136 660 L CA -0.353 54.187 54.840 -0.500 0.000 0.933 660 L CB 0.593 42.035 42.059 -1.030 0.000 1.241 660 L HN -0.162 nan 8.230 nan 0.000 0.522 661 V N 1.464 121.003 119.914 -0.624 0.000 2.637 661 V HA 0.145 4.260 4.120 -0.009 0.000 0.296 661 V C 0.261 175.829 176.094 -0.877 0.000 1.046 661 V CA 0.022 61.829 62.300 -0.822 0.000 1.066 661 V CB 1.459 32.617 31.823 -1.108 0.000 0.968 661 V HN 0.075 nan 8.190 nan 0.000 0.483 662 I N 4.498 124.434 120.570 -1.057 0.000 2.362 662 I HA 0.352 4.517 4.170 -0.009 0.000 0.289 662 I C -1.076 174.379 176.117 -1.102 0.000 0.994 662 I CA -0.490 60.176 61.300 -1.056 0.000 1.158 662 I CB 1.265 38.562 38.000 -1.172 0.000 1.315 662 I HN 0.533 nan 8.210 nan 0.000 0.451 663 Y N 5.130 125.109 120.300 -0.535 0.000 2.518 663 Y HA 0.391 4.936 4.550 -0.009 0.000 0.344 663 Y C 0.294 176.102 175.900 -0.153 0.000 0.982 663 Y CA -0.422 57.508 58.100 -0.282 0.000 1.234 663 Y CB 0.510 38.812 38.460 -0.262 0.000 1.114 663 Y HN 0.482 nan 8.280 nan 0.000 0.515 664 E N 2.074 122.338 120.200 0.108 0.000 2.277 664 E HA 0.354 4.699 4.350 -0.009 0.000 0.266 664 E C -1.003 175.803 176.600 0.344 0.000 0.901 664 E CA -1.119 55.363 56.400 0.138 0.000 0.782 664 E CB 2.441 32.090 29.700 -0.085 0.000 1.228 664 E HN 0.512 nan 8.360 nan 0.000 0.424 665 Q N 1.816 121.805 119.800 0.315 0.000 2.301 665 Q HA 0.415 4.750 4.340 -0.009 0.000 0.267 665 Q C -0.806 175.425 176.000 0.385 0.000 1.035 665 Q CA -0.843 55.146 55.803 0.310 0.000 0.856 665 Q CB 1.543 30.413 28.738 0.221 0.000 1.337 665 Q HN 0.435 nan 8.270 nan 0.000 0.450 666 I N 1.913 122.644 120.570 0.269 0.000 2.428 666 I HA 0.122 4.287 4.170 -0.009 0.000 0.296 666 I C 1.329 177.601 176.117 0.259 0.000 0.985 666 I CA 0.196 61.647 61.300 0.252 0.000 1.260 666 I CB 1.507 39.581 38.000 0.124 0.000 1.389 666 I HN 0.799 nan 8.210 nan 0.000 0.484 667 T N 3.100 117.837 114.554 0.306 0.000 2.975 667 T HA 0.339 4.683 4.350 -0.009 0.000 0.257 667 T C 0.529 175.292 174.700 0.106 0.000 1.003 667 T CA -0.212 61.989 62.100 0.170 0.000 0.932 667 T CB 0.523 69.452 68.868 0.102 0.000 1.087 667 T HN 0.703 nan 8.240 nan 0.000 0.512 668 R N 0.306 120.909 120.500 0.173 0.000 2.733 668 R HA 0.496 4.830 4.340 -0.009 0.000 0.272 668 R C -2.071 174.351 176.300 0.203 0.000 1.029 668 R CA -1.190 54.977 56.100 0.111 0.000 0.888 668 R CB 0.046 30.312 30.300 -0.057 0.000 1.251 668 R HN -0.103 nan 8.270 nan 0.000 0.464 669 D N 1.780 122.259 120.400 0.132 0.000 2.520 669 D HA -0.014 4.621 4.640 -0.009 0.000 0.243 669 D C 1.247 177.665 176.300 0.197 0.000 1.160 669 D CA 0.352 54.428 54.000 0.126 0.000 0.877 669 D CB 0.523 41.372 40.800 0.081 0.000 1.150 669 D HN 0.450 nan 8.370 nan 0.000 0.494 670 L N 2.252 123.571 121.223 0.159 0.000 2.137 670 L HA -0.308 4.026 4.340 -0.009 0.000 0.213 670 L C 2.558 179.520 176.870 0.153 0.000 1.085 670 L CA 1.333 56.252 54.840 0.133 0.000 0.760 670 L CB -0.571 41.473 42.059 -0.025 0.000 0.893 670 L HN 0.265 nan 8.230 nan 0.000 0.434 671 K N 0.106 120.567 120.400 0.103 0.000 2.034 671 K HA -0.252 4.063 4.320 -0.009 0.000 0.214 671 K C 1.695 178.359 176.600 0.107 0.000 1.051 671 K CA 2.174 58.510 56.287 0.081 0.000 0.931 671 K CB -0.602 31.932 32.500 0.056 0.000 0.715 671 K HN 0.466 nan 8.250 nan 0.000 0.446 672 D N -1.175 119.294 120.400 0.114 0.000 2.149 672 D HA -0.070 4.565 4.640 -0.009 0.000 0.198 672 D C 0.369 176.714 176.300 0.075 0.000 0.990 672 D CA 0.805 54.846 54.000 0.068 0.000 0.839 672 D CB -0.520 40.290 40.800 0.016 0.000 0.948 672 D HN 0.453 nan 8.370 nan 0.000 0.460 673 Y N 0.830 121.138 120.300 0.015 0.000 2.805 673 Y HA -0.127 4.417 4.550 -0.009 0.000 0.331 673 Y C 1.791 177.700 175.900 0.015 0.000 1.241 673 Y CA 0.412 58.522 58.100 0.017 0.000 1.546 673 Y CB 0.554 39.020 38.460 0.009 0.000 1.248 673 Y HN -0.342 nan 8.280 nan 0.000 0.559 674 K N 1.560 122.040 120.400 0.133 0.000 2.361 674 K HA 0.506 4.820 4.320 -0.009 0.000 0.196 674 K C 0.309 176.969 176.600 0.100 0.000 1.039 674 K CA 0.650 56.989 56.287 0.088 0.000 1.001 674 K CB 0.306 32.833 32.500 0.046 0.000 0.795 674 K HN 0.703 nan 8.250 nan 0.000 0.495 675 A N -0.318 122.592 122.820 0.150 0.000 2.572 675 A HA 0.648 4.962 4.320 -0.009 0.000 0.295 675 A C -0.807 176.865 177.584 0.146 0.000 1.072 675 A CA -0.574 51.536 52.037 0.122 0.000 0.691 675 A CB 1.754 20.814 19.000 0.100 0.000 1.291 675 A HN 0.124 nan 8.150 nan 0.000 0.404 676 T N 1.667 116.262 114.554 0.068 0.000 2.912 676 T HA 0.572 4.917 4.350 -0.009 0.000 0.326 676 T C 0.590 175.295 174.700 0.008 0.000 1.080 676 T CA 0.182 62.283 62.100 0.002 0.000 1.000 676 T CB 0.975 69.817 68.868 -0.044 0.000 1.008 676 T HN 1.161 nan 8.240 nan 0.000 0.473 677 G N 3.358 112.186 108.800 0.047 0.000 2.611 677 G HA2 0.358 4.312 3.960 -0.009 0.000 0.273 677 G HA3 0.358 4.312 3.960 -0.009 0.000 0.273 677 G C -1.550 173.345 174.900 -0.009 0.000 1.305 677 G CA -1.292 43.846 45.100 0.063 0.000 1.010 677 G HN 0.315 nan 8.290 nan 0.000 0.509 678 P HA -0.189 nan 4.420 nan 0.000 0.211 678 P C 1.789 178.896 177.300 -0.322 0.000 1.179 678 P CA 1.927 64.886 63.100 -0.234 0.000 0.910 678 P CB -0.174 31.325 31.700 -0.335 0.000 0.785 679 H N -0.428 118.352 119.070 -0.485 0.000 2.492 679 H HA -0.061 4.489 4.556 -0.009 0.000 0.296 679 H C 1.384 176.578 175.328 -0.223 0.000 1.095 679 H CA 1.376 57.212 56.048 -0.353 0.000 1.281 679 H CB -1.354 28.402 29.762 -0.009 0.000 1.374 679 H HN -0.014 nan 8.280 nan 0.000 0.545 680 V N 0.862 120.483 119.914 -0.488 0.000 2.788 680 V HA 0.037 4.152 4.120 -0.009 0.000 0.251 680 V C 2.991 178.870 176.094 -0.359 0.000 1.068 680 V CA 1.079 63.018 62.300 -0.602 0.000 1.090 680 V CB -0.684 30.782 31.823 -0.596 0.000 0.710 680 V HN 0.658 nan 8.190 nan 0.000 0.467 681 A N -0.003 122.667 122.820 -0.251 0.000 1.930 681 A HA -0.043 4.272 4.320 -0.009 0.000 0.215 681 A C 2.336 179.815 177.584 -0.175 0.000 1.176 681 A CA 1.402 53.329 52.037 -0.184 0.000 0.632 681 A CB -0.444 18.470 19.000 -0.144 0.000 0.819 681 A HN 0.276 nan 8.150 nan 0.000 0.445 682 V N 0.280 120.068 119.914 -0.210 0.000 2.231 682 V HA -0.317 3.798 4.120 -0.009 0.000 0.248 682 V C 3.086 179.103 176.094 -0.129 0.000 1.054 682 V CA 2.237 64.439 62.300 -0.163 0.000 1.015 682 V CB -1.376 30.338 31.823 -0.181 0.000 0.638 682 V HN 0.595 nan 8.190 nan 0.000 0.444 683 A N -0.624 122.096 122.820 -0.167 0.000 1.877 683 A HA -0.289 4.026 4.320 -0.009 0.000 0.216 683 A C 2.307 179.814 177.584 -0.128 0.000 1.186 683 A CA 2.292 54.243 52.037 -0.143 0.000 0.620 683 A CB -0.576 18.301 19.000 -0.206 0.000 0.822 683 A HN 0.522 nan 8.150 nan 0.000 0.443 684 K N -0.261 120.042 120.400 -0.161 0.000 2.113 684 K HA -0.220 4.094 4.320 -0.009 0.000 0.208 684 K C 2.284 178.837 176.600 -0.080 0.000 1.047 684 K CA 1.898 58.111 56.287 -0.123 0.000 0.928 684 K CB -0.138 32.280 32.500 -0.135 0.000 0.716 684 K HN 0.706 nan 8.250 nan 0.000 0.446 685 R N 0.120 120.574 120.500 -0.076 0.000 2.173 685 R HA 0.018 4.352 4.340 -0.009 0.000 0.208 685 R C 2.046 178.323 176.300 -0.039 0.000 1.035 685 R CA 0.560 56.629 56.100 -0.052 0.000 1.004 685 R CB -0.427 29.844 30.300 -0.048 0.000 0.917 685 R HN 0.095 nan 8.270 nan 0.000 0.462 686 L N 1.294 122.492 121.223 -0.042 0.000 2.012 686 L HA -0.149 4.186 4.340 -0.009 0.000 0.210 686 L C 2.831 179.688 176.870 -0.023 0.000 1.073 686 L CA 1.657 56.481 54.840 -0.027 0.000 0.748 686 L CB -0.627 41.418 42.059 -0.023 0.000 0.891 686 L HN 0.402 nan 8.230 nan 0.000 0.431 687 A N -0.209 122.592 122.820 -0.031 0.000 1.969 687 A HA -0.089 4.226 4.320 -0.009 0.000 0.218 687 A C 2.429 180.003 177.584 -0.017 0.000 1.169 687 A CA 1.396 53.420 52.037 -0.022 0.000 0.635 687 A CB -0.574 18.410 19.000 -0.027 0.000 0.810 687 A HN 0.410 nan 8.150 nan 0.000 0.445 688 A N -0.600 122.207 122.820 -0.022 0.000 2.178 688 A HA -0.061 4.253 4.320 -0.009 0.000 0.218 688 A C 1.908 179.485 177.584 -0.012 0.000 1.157 688 A CA 1.020 53.047 52.037 -0.017 0.000 0.689 688 A CB -0.291 18.697 19.000 -0.020 0.000 0.787 688 A HN 0.505 nan 8.150 nan 0.000 0.465 689 R N -1.527 118.966 120.500 -0.012 0.000 2.546 689 R HA 0.269 4.603 4.340 -0.009 0.000 0.320 689 R C 0.946 177.242 176.300 -0.006 0.000 1.021 689 R CA 0.389 56.484 56.100 -0.008 0.000 1.088 689 R CB 0.150 30.445 30.300 -0.008 0.000 1.278 689 R HN 0.560 nan 8.270 nan 0.000 0.557 690 G N 1.879 110.676 108.800 -0.005 0.000 2.179 690 G HA2 -0.285 3.670 3.960 -0.009 0.000 0.257 690 G HA3 -0.285 3.670 3.960 -0.009 0.000 0.257 690 G C 0.223 175.122 174.900 -0.001 0.000 1.010 690 G CA 0.044 45.143 45.100 -0.002 0.000 0.736 690 G HN 0.283 nan 8.290 nan 0.000 0.513 691 I N 0.049 120.617 120.570 -0.002 0.000 2.581 691 I HA 0.192 4.357 4.170 -0.009 0.000 0.288 691 I C 1.142 177.261 176.117 0.003 0.000 1.047 691 I CA -0.516 60.785 61.300 0.001 0.000 1.374 691 I CB 1.086 39.087 38.000 0.001 0.000 1.423 691 I HN 0.020 nan 8.210 nan 0.000 0.549 692 K N 5.765 126.170 120.400 0.008 0.000 2.351 692 K HA 0.210 4.524 4.320 -0.009 0.000 0.287 692 K C -1.167 175.443 176.600 0.017 0.000 1.068 692 K CA -0.049 56.245 56.287 0.013 0.000 0.998 692 K CB 0.144 32.652 32.500 0.013 0.000 0.968 692 K HN 0.337 nan 8.250 nan 0.000 0.464 693 I N 5.551 126.131 120.570 0.017 0.000 2.439 693 I HA 0.320 4.485 4.170 -0.009 0.000 0.285 693 I C -0.622 175.517 176.117 0.037 0.000 1.021 693 I CA -0.397 60.916 61.300 0.021 0.000 1.091 693 I CB 1.345 39.343 38.000 -0.003 0.000 1.242 693 I HN 0.522 nan 8.210 nan 0.000 0.439 694 R N 6.739 127.273 120.500 0.056 0.000 2.795 694 R HA 0.561 4.896 4.340 -0.009 0.000 0.275 694 R C -2.740 173.621 176.300 0.102 0.000 0.981 694 R CA -2.194 53.951 56.100 0.075 0.000 0.917 694 R CB 1.265 31.608 30.300 0.072 0.000 1.202 694 R HN 0.168 nan 8.270 nan 0.000 0.469 695 P HA -0.068 nan 4.420 nan 0.000 0.257 695 P C 0.684 178.075 177.300 0.152 0.000 1.162 695 P CA 1.216 64.400 63.100 0.139 0.000 0.762 695 P CB 0.141 31.915 31.700 0.123 0.000 0.753 696 G N 2.080 110.983 108.800 0.171 0.000 2.218 696 G HA2 -0.180 3.774 3.960 -0.009 0.000 0.216 696 G HA3 -0.180 3.774 3.960 -0.009 0.000 0.216 696 G C 0.168 175.187 174.900 0.198 0.000 0.994 696 G CA -0.208 45.012 45.100 0.201 0.000 0.637 696 G HN 0.570 nan 8.290 nan 0.000 0.505 697 T N 1.744 116.393 114.554 0.159 0.000 2.834 697 T HA 0.440 4.784 4.350 -0.009 0.000 0.298 697 T C 0.506 175.305 174.700 0.165 0.000 0.966 697 T CA 0.064 62.248 62.100 0.140 0.000 1.141 697 T CB 2.144 71.070 68.868 0.096 0.000 0.905 697 T HN 0.425 nan 8.240 nan 0.000 0.535 698 V N 6.148 126.169 119.914 0.179 0.000 2.322 698 V HA 0.147 4.262 4.120 -0.009 0.000 0.258 698 V C 0.448 176.665 176.094 0.206 0.000 1.074 698 V CA -0.857 61.569 62.300 0.210 0.000 0.909 698 V CB -0.213 31.740 31.823 0.217 0.000 1.090 698 V HN 0.703 nan 8.190 nan 0.000 0.486 699 I N 4.277 124.974 120.570 0.213 0.000 2.683 699 I HA 0.123 4.288 4.170 -0.009 0.000 0.286 699 I C 0.707 176.944 176.117 0.201 0.000 1.175 699 I CA 0.671 62.096 61.300 0.208 0.000 1.429 699 I CB 0.488 38.627 38.000 0.232 0.000 1.371 699 I HN 0.545 nan 8.210 nan 0.000 0.569 700 S N 7.623 123.399 115.700 0.126 0.000 2.733 700 S HA 0.580 5.045 4.470 -0.009 0.000 0.307 700 S C -0.682 173.888 174.600 -0.050 0.000 1.127 700 S CA -0.721 57.397 58.200 -0.138 0.000 1.097 700 S CB 0.801 63.971 63.200 -0.050 0.000 1.003 700 S HN 0.481 nan 8.310 nan 0.000 0.477 701 Y N 0.717 120.887 120.300 -0.218 0.000 2.570 701 Y HA 0.846 5.391 4.550 -0.009 0.000 0.345 701 Y C -0.879 174.934 175.900 -0.145 0.000 1.014 701 Y CA -1.551 56.480 58.100 -0.115 0.000 1.063 701 Y CB 0.877 39.290 38.460 -0.079 0.000 1.272 701 Y HN 0.372 nan 8.280 nan 0.000 0.477 702 I N 2.402 123.032 120.570 0.101 0.000 2.648 702 I HA 0.436 4.601 4.170 -0.009 0.000 0.304 702 I C -0.761 175.468 176.117 0.187 0.000 1.009 702 I CA -1.440 59.899 61.300 0.064 0.000 1.114 702 I CB 2.142 40.118 38.000 -0.039 0.000 1.293 702 I HN 0.461 nan 8.210 nan 0.000 0.449 703 V N 5.868 125.895 119.914 0.188 0.000 2.465 703 V HA 0.381 4.496 4.120 -0.009 0.000 0.279 703 V C 0.201 176.420 176.094 0.207 0.000 1.045 703 V CA -0.405 61.921 62.300 0.044 0.000 0.938 703 V CB 1.514 33.065 31.823 -0.453 0.000 0.986 703 V HN 0.427 nan 8.190 nan 0.000 0.467 704 L N 3.456 124.768 121.223 0.149 0.000 2.334 704 L HA 0.557 4.892 4.340 -0.009 0.000 0.270 704 L C 0.255 177.234 176.870 0.183 0.000 1.018 704 L CA -0.931 54.039 54.840 0.216 0.000 0.811 704 L CB 1.529 43.696 42.059 0.180 0.000 1.271 704 L HN 0.547 nan 8.230 nan 0.000 0.443 705 K N 0.840 121.367 120.400 0.212 0.000 2.416 705 K HA 0.466 4.780 4.320 -0.009 0.000 0.283 705 K C -0.142 176.530 176.600 0.120 0.000 1.037 705 K CA 0.464 56.857 56.287 0.178 0.000 0.995 705 K CB 0.335 32.950 32.500 0.192 0.000 0.938 705 K HN 0.786 nan 8.250 nan 0.000 0.475 706 G N 1.308 110.169 108.800 0.102 0.000 2.325 706 G HA2 0.162 4.117 3.960 -0.009 0.000 0.295 706 G HA3 0.162 4.117 3.960 -0.009 0.000 0.295 706 G C -1.609 173.329 174.900 0.064 0.000 1.274 706 G CA -0.671 44.472 45.100 0.073 0.000 0.857 706 G HN 0.562 nan 8.290 nan 0.000 0.499 707 S N -1.456 114.273 115.700 0.048 0.000 2.704 707 S HA 0.798 5.262 4.470 -0.009 0.000 0.305 707 S C 0.915 175.535 174.600 0.033 0.000 1.107 707 S CA 1.294 59.520 58.200 0.043 0.000 0.993 707 S CB 0.909 64.131 63.200 0.037 0.000 1.110 707 S HN 2.688 nan 8.310 nan 0.000 0.534 708 G N 2.661 111.481 108.800 0.033 0.000 2.547 708 G HA2 -0.236 3.719 3.960 -0.009 0.000 0.271 708 G HA3 -0.236 3.719 3.960 -0.009 0.000 0.271 708 G C -0.395 174.518 174.900 0.023 0.000 1.209 708 G CA 0.019 45.135 45.100 0.026 0.000 0.959 708 G HN 0.919 nan 8.290 nan 0.000 0.563 709 R N -0.620 119.887 120.500 0.011 0.000 2.734 709 R HA 0.344 4.679 4.340 -0.009 0.000 0.266 709 R C 1.654 177.945 176.300 -0.015 0.000 1.044 709 R CA 0.024 56.126 56.100 0.003 0.000 1.128 709 R CB 0.193 30.490 30.300 -0.006 0.000 1.010 709 R HN 0.396 nan 8.270 nan 0.000 0.461 710 I N 1.523 122.079 120.570 -0.024 0.000 2.439 710 I HA -0.119 4.045 4.170 -0.009 0.000 0.251 710 I C 2.236 178.283 176.117 -0.116 0.000 1.139 710 I CA 1.575 62.827 61.300 -0.081 0.000 1.438 710 I CB -0.361 37.598 38.000 -0.070 0.000 1.085 710 I HN 0.915 nan 8.210 nan 0.000 0.427 711 G N 0.217 108.959 108.800 -0.096 0.000 2.446 711 G HA2 -0.237 3.718 3.960 -0.009 0.000 0.217 711 G HA3 -0.237 3.718 3.960 -0.009 0.000 0.217 711 G C 1.327 176.167 174.900 -0.101 0.000 1.168 711 G CA 0.971 45.997 45.100 -0.123 0.000 0.771 711 G HN 0.331 nan 8.290 nan 0.000 0.551 712 D N 0.523 120.886 120.400 -0.062 0.000 2.309 712 D HA -0.068 4.567 4.640 -0.009 0.000 0.212 712 D C 2.220 178.499 176.300 -0.034 0.000 0.968 712 D CA 0.885 54.860 54.000 -0.041 0.000 0.882 712 D CB -0.037 40.751 40.800 -0.020 0.000 0.918 712 D HN 0.627 nan 8.370 nan 0.000 0.503 713 R N -0.418 120.057 120.500 -0.043 0.000 2.600 713 R HA 0.532 4.866 4.340 -0.009 0.000 0.392 713 R C -0.024 176.261 176.300 -0.025 0.000 1.032 713 R CA -0.373 55.716 56.100 -0.018 0.000 1.139 713 R CB 0.539 30.844 30.300 0.008 0.000 1.400 713 R HN -0.114 nan 8.270 nan 0.000 0.566 714 A N 2.376 125.154 122.820 -0.069 0.000 2.289 714 A HA 0.585 4.899 4.320 -0.009 0.000 0.298 714 A C 0.126 177.693 177.584 -0.028 0.000 1.208 714 A CA -0.817 51.187 52.037 -0.054 0.000 0.845 714 A CB 0.202 19.071 19.000 -0.219 0.000 1.125 714 A HN 0.559 nan 8.150 nan 0.000 0.517 715 I N -0.055 120.542 120.570 0.045 0.000 2.740 715 I HA 0.667 4.831 4.170 -0.009 0.000 0.303 715 I C -2.890 173.287 176.117 0.101 0.000 1.044 715 I CA -3.124 58.195 61.300 0.031 0.000 1.064 715 I CB 2.203 40.183 38.000 -0.034 0.000 1.249 715 I HN 0.233 nan 8.210 nan 0.000 0.433 716 P HA -0.016 nan 4.420 nan 0.000 0.262 716 P C 0.076 177.464 177.300 0.147 0.000 1.182 716 P CA 0.149 63.318 63.100 0.115 0.000 0.761 716 P CB 0.201 31.941 31.700 0.067 0.000 0.795 717 F N 3.750 123.700 119.950 0.000 0.000 2.161 717 F HA -0.225 4.296 4.527 -0.009 0.000 0.300 717 F C 1.636 177.482 175.800 0.077 0.000 1.089 717 F CA 1.752 59.744 58.000 -0.012 0.000 1.282 717 F CB -0.608 38.321 39.000 -0.119 0.000 1.010 717 F HN 0.267 nan 8.300 nan 0.000 0.485 718 D N 0.501 120.890 120.400 -0.018 0.000 2.192 718 D HA -0.259 4.376 4.640 -0.009 0.000 0.189 718 D C 1.735 177.988 176.300 -0.079 0.000 1.007 718 D CA 2.136 56.098 54.000 -0.063 0.000 0.859 718 D CB -0.291 40.517 40.800 0.014 0.000 0.936 718 D HN 0.511 nan 8.370 nan 0.000 0.447 719 E N -1.183 119.003 120.200 -0.023 0.000 2.437 719 E HA 0.040 4.384 4.350 -0.009 0.000 0.189 719 E C -0.073 176.529 176.600 0.003 0.000 1.054 719 E CA -0.453 55.945 56.400 -0.004 0.000 0.874 719 E CB 0.037 29.740 29.700 0.006 0.000 1.011 719 E HN 0.252 nan 8.360 nan 0.000 0.474 720 F N 2.234 122.069 119.950 -0.192 0.000 2.421 720 F HA 0.178 4.699 4.527 -0.009 0.000 0.358 720 F C -0.231 175.570 175.800 0.003 0.000 1.115 720 F CA -0.937 56.971 58.000 -0.154 0.000 1.160 720 F CB 0.702 39.604 39.000 -0.163 0.000 1.123 720 F HN -0.261 nan 8.300 nan 0.000 0.508 721 D N 9.446 129.653 120.400 -0.322 0.000 2.373 721 D HA 0.300 4.935 4.640 -0.009 0.000 0.227 721 D C -1.717 174.124 176.300 -0.765 0.000 1.091 721 D CA -2.640 51.114 54.000 -0.410 0.000 0.840 721 D CB 1.776 42.425 40.800 -0.250 0.000 1.060 721 D HN 0.230 nan 8.370 nan 0.000 0.502 722 P HA -0.237 nan 4.420 nan 0.000 0.216 722 P C 1.077 178.243 177.300 -0.224 0.000 1.157 722 P CA 1.512 64.455 63.100 -0.262 0.000 0.880 722 P CB 0.158 31.892 31.700 0.056 0.000 0.791 723 A N 0.176 122.879 122.820 -0.196 0.000 1.883 723 A HA -0.201 4.114 4.320 -0.009 0.000 0.217 723 A C 2.484 179.927 177.584 -0.235 0.000 1.186 723 A CA 3.274 55.205 52.037 -0.175 0.000 0.624 723 A CB -1.497 17.419 19.000 -0.139 0.000 0.822 723 A HN 0.324 nan 8.150 nan 0.000 0.444 724 K N -0.550 119.651 120.400 -0.332 0.000 2.141 724 K HA 0.155 4.470 4.320 -0.009 0.000 0.202 724 K C 0.873 177.216 176.600 -0.430 0.000 1.045 724 K CA 1.017 57.058 56.287 -0.409 0.000 0.971 724 K CB -0.606 31.574 32.500 -0.533 0.000 0.795 724 K HN 0.785 nan 8.250 nan 0.000 0.459 725 H N 0.356 119.239 119.070 -0.312 0.000 2.505 725 H HA 0.413 4.963 4.556 -0.009 0.000 0.351 725 H C -0.556 174.680 175.328 -0.154 0.000 1.151 725 H CA -0.570 55.344 56.048 -0.223 0.000 1.339 725 H CB 1.336 30.934 29.762 -0.274 0.000 1.483 725 H HN 0.050 nan 8.280 nan 0.000 0.558 726 K N 2.885 123.342 120.400 0.096 0.000 2.450 726 K HA 0.111 4.426 4.320 -0.009 0.000 0.257 726 K C -1.008 175.747 176.600 0.259 0.000 0.953 726 K CA -0.672 55.598 56.287 -0.028 0.000 0.844 726 K CB 1.198 33.561 32.500 -0.228 0.000 1.103 726 K HN 0.547 nan 8.250 nan 0.000 0.429 727 Y N -0.647 119.903 120.300 0.417 0.000 2.480 727 Y HA 0.081 4.625 4.550 -0.009 0.000 0.338 727 Y C 0.529 176.662 175.900 0.389 0.000 1.220 727 Y CA -0.608 57.707 58.100 0.359 0.000 1.430 727 Y CB 0.326 38.881 38.460 0.159 0.000 1.311 727 Y HN 0.435 nan 8.280 nan 0.000 0.575 728 D N 2.929 123.685 120.400 0.593 0.000 2.597 728 D HA 0.120 4.755 4.640 -0.009 0.000 0.228 728 D C 1.193 177.855 176.300 0.604 0.000 1.120 728 D CA 0.644 54.936 54.000 0.487 0.000 1.083 728 D CB -0.025 40.984 40.800 0.349 0.000 1.116 728 D HN 0.822 nan 8.370 nan 0.000 0.487 729 A N 2.529 125.639 122.820 0.483 0.000 1.997 729 A HA -0.259 4.056 4.320 -0.009 0.000 0.221 729 A C 2.038 179.788 177.584 0.276 0.000 1.172 729 A CA 1.623 53.878 52.037 0.364 0.000 0.645 729 A CB -0.243 18.776 19.000 0.033 0.000 0.813 729 A HN 0.454 nan 8.150 nan 0.000 0.454 730 E N -1.142 119.197 120.200 0.233 0.000 2.051 730 E HA -0.213 4.132 4.350 -0.009 0.000 0.192 730 E C 1.740 178.450 176.600 0.182 0.000 0.991 730 E CA 1.697 58.202 56.400 0.175 0.000 0.799 730 E CB -0.523 29.266 29.700 0.149 0.000 0.748 730 E HN 0.714 nan 8.360 nan 0.000 0.449 731 Y N -0.597 119.767 120.300 0.106 0.000 2.128 731 Y HA -0.300 4.244 4.550 -0.009 0.000 0.284 731 Y C 1.769 177.626 175.900 -0.071 0.000 1.154 731 Y CA 2.077 60.172 58.100 -0.009 0.000 1.149 731 Y CB -0.410 38.005 38.460 -0.076 0.000 0.976 731 Y HN 0.143 nan 8.280 nan 0.000 0.505 732 Y N -0.446 119.954 120.300 0.166 0.000 2.263 732 Y HA -0.177 4.368 4.550 -0.009 0.000 0.292 732 Y C 2.319 178.186 175.900 -0.056 0.000 1.130 732 Y CA 1.654 59.773 58.100 0.033 0.000 1.179 732 Y CB -0.330 38.180 38.460 0.084 0.000 0.998 732 Y HN 0.123 nan 8.280 nan 0.000 0.532 733 I N -0.485 120.156 120.570 0.119 0.000 2.162 733 I HA -0.220 3.945 4.170 -0.009 0.000 0.238 733 I C 2.163 178.268 176.117 -0.019 0.000 1.076 733 I CA 1.276 62.605 61.300 0.048 0.000 1.353 733 I CB -0.160 37.880 38.000 0.066 0.000 1.063 733 I HN 0.127 nan 8.210 nan 0.000 0.408 734 E N 0.262 120.439 120.200 -0.039 0.000 2.086 734 E HA -0.138 4.207 4.350 -0.009 0.000 0.190 734 E C 1.777 178.293 176.600 -0.139 0.000 0.975 734 E CA 0.837 57.201 56.400 -0.060 0.000 0.813 734 E CB -0.545 29.141 29.700 -0.023 0.000 0.768 734 E HN 0.414 nan 8.360 nan 0.000 0.457 735 N N 0.172 118.694 118.700 -0.296 0.000 2.368 735 N HA -0.078 4.656 4.740 -0.009 0.000 0.176 735 N C 1.500 176.766 175.510 -0.407 0.000 1.021 735 N CA 0.785 53.580 53.050 -0.426 0.000 0.888 735 N CB 0.455 38.465 38.487 -0.794 0.000 0.995 735 N HN 0.116 nan 8.380 nan 0.000 0.437 736 Q N -0.035 119.514 119.800 -0.419 0.000 2.385 736 Q HA 0.121 4.455 4.340 -0.009 0.000 0.195 736 Q C 2.168 178.113 176.000 -0.092 0.000 0.977 736 Q CA 0.528 56.179 55.803 -0.254 0.000 0.856 736 Q CB -0.219 28.358 28.738 -0.269 0.000 0.986 736 Q HN 0.102 nan 8.270 nan 0.000 0.558 737 V N 1.839 121.726 119.914 -0.044 0.000 2.427 737 V HA -0.184 3.931 4.120 -0.009 0.000 0.248 737 V C 2.368 178.450 176.094 -0.019 0.000 1.051 737 V CA 1.369 63.663 62.300 -0.009 0.000 1.048 737 V CB -0.442 31.388 31.823 0.012 0.000 0.666 737 V HN 0.229 nan 8.190 nan 0.000 0.456 738 L N -0.503 120.703 121.223 -0.028 0.000 2.102 738 L HA -0.005 4.330 4.340 -0.009 0.000 0.202 738 L C -0.070 176.791 176.870 -0.015 0.000 1.076 738 L CA 1.175 56.005 54.840 -0.016 0.000 0.761 738 L CB -1.605 40.450 42.059 -0.007 0.000 0.921 738 L HN 0.338 nan 8.230 nan 0.000 0.444 739 P HA -0.181 nan 4.420 nan 0.000 0.220 739 P C 1.218 178.512 177.300 -0.011 0.000 1.144 739 P CA 1.476 64.564 63.100 -0.019 0.000 0.800 739 P CB -0.013 31.666 31.700 -0.036 0.000 0.772 740 A N -1.435 121.377 122.820 -0.014 0.000 2.168 740 A HA 0.000 4.315 4.320 -0.009 0.000 0.215 740 A C 2.015 179.597 177.584 -0.003 0.000 1.152 740 A CA 1.381 53.411 52.037 -0.011 0.000 0.716 740 A CB -0.750 18.244 19.000 -0.011 0.000 0.794 740 A HN 0.221 nan 8.150 nan 0.000 0.465 741 V N -1.958 117.957 119.914 0.002 0.000 3.380 741 V HA 0.081 4.196 4.120 -0.009 0.000 0.277 741 V C 1.703 177.809 176.094 0.020 0.000 1.590 741 V CA 0.698 63.001 62.300 0.006 0.000 1.019 741 V CB 0.386 32.199 31.823 -0.015 0.000 0.828 741 V HN 0.553 nan 8.190 nan 0.000 0.427 742 E N 0.756 120.970 120.200 0.024 0.000 2.031 742 E HA -0.210 4.135 4.350 -0.009 0.000 0.193 742 E C 2.196 178.832 176.600 0.061 0.000 0.994 742 E CA 1.028 57.451 56.400 0.038 0.000 0.800 742 E CB -0.020 29.698 29.700 0.029 0.000 0.752 742 E HN 0.324 nan 8.360 nan 0.000 0.447 743 R N 0.527 121.064 120.500 0.062 0.000 2.096 743 R HA -0.129 4.205 4.340 -0.009 0.000 0.240 743 R C 2.545 178.917 176.300 0.120 0.000 1.139 743 R CA 1.052 57.201 56.100 0.081 0.000 0.952 743 R CB -0.952 29.391 30.300 0.071 0.000 0.854 743 R HN 0.355 nan 8.270 nan 0.000 0.436 744 I N 0.608 121.259 120.570 0.136 0.000 2.163 744 I HA -0.314 3.851 4.170 -0.009 0.000 0.243 744 I C 2.194 178.404 176.117 0.155 0.000 1.085 744 I CA 1.397 62.810 61.300 0.187 0.000 1.347 744 I CB -0.211 37.891 38.000 0.171 0.000 1.044 744 I HN 0.101 nan 8.210 nan 0.000 0.408 745 L N -0.097 121.201 121.223 0.125 0.000 2.375 745 L HA -0.008 4.327 4.340 -0.009 0.000 0.215 745 L C 2.633 179.668 176.870 0.276 0.000 1.108 745 L CA 0.328 55.271 54.840 0.171 0.000 0.830 745 L CB -0.387 41.674 42.059 0.003 0.000 0.959 745 L HN 0.215 nan 8.230 nan 0.000 0.457 746 R N 1.346 121.951 120.500 0.175 0.000 2.081 746 R HA -0.162 4.172 4.340 -0.009 0.000 0.235 746 R C 2.282 178.642 176.300 0.100 0.000 1.131 746 R CA 1.493 57.676 56.100 0.138 0.000 0.960 746 R CB -0.374 29.980 30.300 0.089 0.000 0.856 746 R HN 0.215 nan 8.270 nan 0.000 0.436 747 A N 0.523 123.377 122.820 0.057 0.000 1.971 747 A HA -0.185 4.130 4.320 -0.009 0.000 0.222 747 A C 1.530 178.952 177.584 -0.270 0.000 1.182 747 A CA 1.562 53.529 52.037 -0.118 0.000 0.649 747 A CB -0.722 18.150 19.000 -0.213 0.000 0.818 747 A HN 0.496 nan 8.150 nan 0.000 0.458 748 F N -1.188 118.766 119.950 0.006 0.000 2.660 748 F HA 0.407 4.928 4.527 -0.009 0.000 0.302 748 F C 1.791 177.574 175.800 -0.029 0.000 1.103 748 F CA 0.571 58.586 58.000 0.025 0.000 1.340 748 F CB 0.170 39.224 39.000 0.090 0.000 1.048 748 F HN 0.375 nan 8.300 nan 0.000 0.551 749 G N -1.058 107.785 108.800 0.072 0.000 2.213 749 G HA2 -0.301 3.654 3.960 -0.009 0.000 0.236 749 G HA3 -0.301 3.654 3.960 -0.009 0.000 0.236 749 G C 0.048 174.865 174.900 -0.138 0.000 0.991 749 G CA -0.564 44.483 45.100 -0.088 0.000 0.629 749 G HN 0.276 nan 8.290 nan 0.000 0.517 750 Y N 1.200 121.531 120.300 0.052 0.000 2.346 750 Y HA 0.588 5.132 4.550 -0.009 0.000 0.330 750 Y C 1.188 177.103 175.900 0.026 0.000 1.178 750 Y CA -0.024 58.094 58.100 0.030 0.000 1.331 750 Y CB 0.738 39.211 38.460 0.021 0.000 1.253 750 Y HN 0.237 nan 8.280 nan 0.000 0.529 751 R N 1.315 121.908 120.500 0.155 0.000 2.607 751 R HA 0.523 4.857 4.340 -0.009 0.000 0.261 751 R C 1.219 177.577 176.300 0.096 0.000 1.051 751 R CA -0.160 55.997 56.100 0.095 0.000 1.110 751 R CB 1.064 31.398 30.300 0.055 0.000 1.158 751 R HN 0.929 nan 8.270 nan 0.000 0.543 752 K N 0.941 121.381 120.400 0.066 0.000 2.001 752 K HA -0.240 4.074 4.320 -0.009 0.000 0.214 752 K C 1.939 178.572 176.600 0.054 0.000 1.050 752 K CA 2.745 59.064 56.287 0.053 0.000 0.934 752 K CB -1.347 31.177 32.500 0.039 0.000 0.718 752 K HN 0.878 nan 8.250 nan 0.000 0.443 753 E N 0.959 121.188 120.200 0.048 0.000 2.233 753 E HA -0.268 4.076 4.350 -0.009 0.000 0.210 753 E C 1.855 178.488 176.600 0.054 0.000 1.046 753 E CA 1.844 58.270 56.400 0.044 0.000 0.844 753 E CB -0.466 29.255 29.700 0.034 0.000 0.741 753 E HN 0.778 nan 8.360 nan 0.000 0.465 754 D N -0.159 120.287 120.400 0.078 0.000 2.277 754 D HA -0.026 4.609 4.640 -0.009 0.000 0.208 754 D C 1.584 177.930 176.300 0.077 0.000 0.962 754 D CA 0.670 54.730 54.000 0.100 0.000 0.865 754 D CB 0.144 41.058 40.800 0.190 0.000 0.939 754 D HN 0.166 nan 8.370 nan 0.000 0.510 755 L N -0.535 120.723 121.223 0.058 0.000 2.408 755 L HA 0.189 4.524 4.340 -0.009 0.000 0.215 755 L C 1.519 178.420 176.870 0.051 0.000 1.081 755 L CA -0.099 54.759 54.840 0.029 0.000 0.840 755 L CB 0.061 42.126 42.059 0.009 0.000 1.002 755 L HN -0.126 nan 8.230 nan 0.000 0.468 756 R N -0.848 119.691 120.500 0.066 0.000 2.954 756 R HA 0.080 4.414 4.340 -0.009 0.000 0.276 756 R C -0.709 175.686 176.300 0.159 0.000 1.218 756 R CA 0.150 56.305 56.100 0.092 0.000 1.149 756 R CB 0.310 30.651 30.300 0.068 0.000 1.112 756 R HN -0.098 nan 8.270 nan 0.000 0.577 757 Y N 0.000 120.303 120.300 0.005 0.000 2.660 757 Y HA 0.000 4.545 4.550 -0.009 0.000 0.201 757 Y CA 0.000 58.102 58.100 0.003 0.000 1.940 757 Y CB 0.000 38.458 38.460 -0.003 0.000 1.050 757 Y HN 0.000 nan 8.280 nan 0.000 0.758