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 1ovm_1_C DATA FIRST_RESID 3 DATA SEQUENCE TPYCVADYLL DRLTDCGADH LFGVPGDYNL QFLDHVIDSP DICWVGCANE DATA SEQUENCE LNASYAADGY ARCKGFAALL TTFGVGELSA MNGIAGSYAE HVPVLHIVGA DATA SEQUENCE PGTAAQQRGE LLHHTLGDGE FRHFYHMSEP ITVAQAVLTE QNACYEIDRV DATA SEQUENCE LTTMLRERRP GYLMLPADVA KKAATPPVNA LTHKQAHADS ACLKAFRDAA DATA SEQUENCE ENKLAMSKRT ALLADFLVLR HGLKHALQKW VKEVPMAHAT MLMGKGIFDE DATA SEQUENCE RQAGFYGTYS GSASTGAVKE AIEGADTVLC VGTRFTDTLT AGFTHQLTPA DATA SEQUENCE QTIEVQPHAA RVGDVWFTGI PMNQAIETLV ELCKQHVHAX XXXXXXXXXX DATA SEQUENCE XXXPDGSLTQ ENFWRTLQTF IRPGDIILAD QGTSAFGAID LRLPADVNFI DATA SEQUENCE VQPLWGSIGY TLAAAFGAQT ACPNRRVIVL TGDGAAQLTI QELGSMLRDK DATA SEQUENCE QHPIILVLNN EGYTVERAIH GAEQRYNDIA LWNWTHIPQA LSLDPQSECW DATA SEQUENCE RVSEAEQLAD VLEKVAHHER LSLIEVMLPK ADIPPLLGAL TKALEACNN 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.757 174.700 0.094 0.000 1.109 3 T CA 0.000 62.125 62.100 0.042 0.000 1.349 3 T CB 0.000 68.871 68.868 0.005 0.000 0.612 4 P HA 0.218 nan 4.420 nan 0.000 0.267 4 P C -0.466 176.935 177.300 0.169 0.000 1.200 4 P CA -0.381 62.793 63.100 0.123 0.000 0.772 4 P CB 0.261 32.016 31.700 0.092 0.000 0.855 5 Y N 2.614 122.951 120.300 0.061 0.000 2.632 5 Y HA 0.183 4.732 4.550 -0.000 0.000 0.329 5 Y C 0.721 176.650 175.900 0.047 0.000 1.174 5 Y CA -0.002 58.136 58.100 0.063 0.000 1.469 5 Y CB -0.104 38.391 38.460 0.059 0.000 1.242 5 Y HN 0.618 nan 8.280 nan 0.000 0.540 6 C N 2.794 121.914 119.300 -0.300 0.000 3.161 6 C HA 0.534 4.994 4.460 -0.000 0.000 0.330 6 C C 1.295 176.105 174.990 -0.299 0.000 1.396 6 C CA -0.625 58.267 59.018 -0.209 0.000 1.536 6 C CB 0.754 28.397 27.740 -0.161 0.000 1.978 6 C HN 0.662 nan 8.230 nan 0.000 0.454 7 V N 1.629 121.449 119.914 -0.156 0.000 2.324 7 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 7 V C 2.943 178.993 176.094 -0.073 0.000 1.060 7 V CA 3.059 65.300 62.300 -0.098 0.000 1.042 7 V CB -1.550 30.212 31.823 -0.101 0.000 0.650 7 V HN 1.103 nan 8.190 nan 0.000 0.450 8 A N -0.054 122.675 122.820 -0.152 0.000 1.908 8 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 8 A C 2.017 179.533 177.584 -0.113 0.000 1.181 8 A CA 2.107 54.132 52.037 -0.020 0.000 0.627 8 A CB -0.572 18.272 19.000 -0.260 0.000 0.818 8 A HN 0.599 nan 8.150 nan 0.000 0.445 9 D N -1.805 118.363 120.400 -0.385 0.000 2.117 9 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 9 D C 1.713 177.867 176.300 -0.244 0.000 0.982 9 D CA 1.452 55.211 54.000 -0.402 0.000 0.828 9 D CB -0.470 39.837 40.800 -0.821 0.000 0.967 9 D HN 0.605 nan 8.370 nan 0.000 0.464 10 Y N 1.605 121.698 120.300 -0.344 0.000 2.165 10 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 10 Y C 2.218 178.140 175.900 0.037 0.000 1.155 10 Y CA 1.055 59.146 58.100 -0.015 0.000 1.164 10 Y CB -0.337 38.144 38.460 0.036 0.000 0.978 10 Y HN -0.094 nan 8.280 nan 0.000 0.513 11 L N -0.326 121.044 121.223 0.244 0.000 1.994 11 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 11 L C 2.046 179.001 176.870 0.142 0.000 1.071 11 L CA 1.672 56.640 54.840 0.214 0.000 0.745 11 L CB -1.226 40.966 42.059 0.221 0.000 0.892 11 L HN 0.242 nan 8.230 nan 0.000 0.431 12 L N -0.176 121.125 121.223 0.130 0.000 2.012 12 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 12 L C 2.424 179.316 176.870 0.037 0.000 1.073 12 L CA 1.690 56.585 54.840 0.091 0.000 0.748 12 L CB -1.766 40.312 42.059 0.031 0.000 0.891 12 L HN 0.352 nan 8.230 nan 0.000 0.431 13 D N -0.813 119.585 120.400 -0.004 0.000 2.149 13 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 13 D C 2.299 178.551 176.300 -0.081 0.000 0.990 13 D CA 0.748 54.725 54.000 -0.039 0.000 0.839 13 D CB 0.077 40.847 40.800 -0.050 0.000 0.948 13 D HN 0.143 nan 8.370 nan 0.000 0.460 14 R N 0.090 120.524 120.500 -0.109 0.000 2.115 14 R HA -0.027 4.313 4.340 -0.000 0.000 0.230 14 R C 2.261 178.526 176.300 -0.058 0.000 1.111 14 R CA 0.145 56.188 56.100 -0.095 0.000 0.976 14 R CB -0.903 29.366 30.300 -0.053 0.000 0.870 14 R HN 0.226 nan 8.270 nan 0.000 0.445 15 L N 0.663 121.896 121.223 0.018 0.000 2.017 15 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 15 L C 2.525 179.398 176.870 0.005 0.000 1.073 15 L CA 2.364 57.245 54.840 0.068 0.000 0.745 15 L CB -1.286 40.877 42.059 0.173 0.000 0.894 15 L HN 0.337 nan 8.230 nan 0.000 0.432 16 T N -4.273 110.288 114.554 0.012 0.000 2.746 16 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 16 T C 1.647 176.331 174.700 -0.027 0.000 1.039 16 T CA 1.321 63.427 62.100 0.010 0.000 1.142 16 T CB -0.523 68.349 68.868 0.006 0.000 0.866 16 T HN 0.194 nan 8.240 nan 0.000 0.444 17 D N 0.754 121.117 120.400 -0.062 0.000 2.182 17 D HA -0.037 4.603 4.640 -0.000 0.000 0.201 17 D C 1.969 178.215 176.300 -0.090 0.000 0.986 17 D CA 0.758 54.714 54.000 -0.073 0.000 0.847 17 D CB -0.657 40.088 40.800 -0.092 0.000 0.942 17 D HN 0.498 nan 8.370 nan 0.000 0.467 18 C N -0.760 118.404 119.300 -0.226 0.000 2.562 18 C HA 0.390 4.850 4.460 -0.000 0.000 0.266 18 C C 1.836 176.653 174.990 -0.289 0.000 1.382 18 C CA 0.504 59.247 59.018 -0.457 0.000 1.742 18 C CB -0.672 26.268 27.740 -1.333 0.000 1.812 18 C HN 0.569 nan 8.230 nan 0.000 0.559 19 G N -0.164 108.599 108.800 -0.063 0.000 2.168 19 G HA2 0.069 4.029 3.960 -0.000 0.000 0.197 19 G HA3 0.069 4.029 3.960 -0.000 0.000 0.197 19 G C -0.042 175.014 174.900 0.260 0.000 0.997 19 G CA 0.025 45.184 45.100 0.099 0.000 0.658 19 G HN 0.836 nan 8.290 nan 0.000 0.513 20 A N 0.119 123.118 122.820 0.298 0.000 2.290 20 A HA 0.703 5.023 4.320 -0.000 0.000 0.310 20 A C 0.542 178.278 177.584 0.254 0.000 1.202 20 A CA 0.081 52.372 52.037 0.424 0.000 0.837 20 A CB 0.723 20.005 19.000 0.470 0.000 1.139 20 A HN 0.089 nan 8.150 nan 0.000 0.509 21 D N 0.199 120.781 120.400 0.304 0.000 2.469 21 D HA 0.148 4.788 4.640 -0.000 0.000 0.213 21 D C -0.501 175.627 176.300 -0.287 0.000 1.135 21 D CA 0.778 54.800 54.000 0.037 0.000 0.834 21 D CB 0.353 41.177 40.800 0.040 0.000 1.009 21 D HN 0.720 nan 8.370 nan 0.000 0.507 22 H N -0.382 118.622 119.070 -0.111 0.000 2.865 22 H HA 0.600 5.156 4.556 0.000 0.000 0.372 22 H C -1.260 173.788 175.328 -0.467 0.000 1.173 22 H CA -0.793 55.023 56.048 -0.387 0.000 1.147 22 H CB 2.306 31.651 29.762 -0.696 0.000 1.805 22 H HN -0.163 nan 8.280 nan 0.000 0.553 23 L N 2.126 123.145 121.223 -0.339 0.000 2.406 23 L HA 0.493 4.833 4.340 -0.000 0.000 0.272 23 L C -1.806 174.794 176.870 -0.450 0.000 0.980 23 L CA -0.338 54.400 54.840 -0.170 0.000 0.831 23 L CB 0.348 42.521 42.059 0.191 0.000 1.253 23 L HN 0.456 nan 8.230 nan 0.000 0.406 24 F N 3.392 123.217 119.950 -0.208 0.000 2.403 24 F HA 0.922 5.449 4.527 0.000 0.000 0.326 24 F C 1.148 176.817 175.800 -0.217 0.000 1.081 24 F CA 0.489 58.288 58.000 -0.335 0.000 1.041 24 F CB 1.842 40.714 39.000 -0.213 0.000 1.234 24 F HN 0.699 nan 8.300 nan 0.000 0.503 25 G N -0.309 108.446 108.800 -0.074 0.000 2.362 25 G HA2 0.400 4.360 3.960 -0.000 0.000 0.288 25 G HA3 0.400 4.360 3.960 -0.000 0.000 0.288 25 G C -2.258 172.840 174.900 0.330 0.000 1.305 25 G CA -0.309 44.914 45.100 0.206 0.000 0.910 25 G HN 1.210 nan 8.290 nan 0.000 0.518 26 V N -0.388 119.799 119.914 0.456 0.000 2.686 26 V HA 0.897 5.017 4.120 -0.000 0.000 0.306 26 V C -2.356 173.950 176.094 0.353 0.000 1.065 26 V CA -1.453 61.095 62.300 0.413 0.000 0.894 26 V CB 2.223 34.172 31.823 0.210 0.000 1.004 26 V HN 0.944 nan 8.190 nan 0.000 0.424 27 P HA 0.480 nan 4.420 nan 0.000 0.270 27 P C 0.018 177.385 177.300 0.111 0.000 1.227 27 P CA 0.542 63.705 63.100 0.105 0.000 0.788 27 P CB 1.015 32.729 31.700 0.024 0.000 0.926 28 G N -0.324 108.529 108.800 0.089 0.000 2.702 28 G HA2 0.215 4.175 3.960 -0.000 0.000 0.296 28 G HA3 0.215 4.175 3.960 -0.000 0.000 0.296 28 G C 0.223 175.165 174.900 0.070 0.000 1.463 28 G CA -0.143 45.021 45.100 0.107 0.000 0.890 28 G HN 0.459 nan 8.290 nan 0.000 0.534 29 D N 0.262 120.669 120.400 0.011 0.000 2.268 29 D HA -0.286 4.354 4.640 -0.000 0.000 0.189 29 D C 1.459 177.721 176.300 -0.062 0.000 1.010 29 D CA 2.161 56.100 54.000 -0.102 0.000 0.862 29 D CB -0.140 40.510 40.800 -0.250 0.000 0.943 29 D HN 0.413 nan 8.370 nan 0.000 0.451 30 Y N -0.210 120.192 120.300 0.171 0.000 2.632 30 Y HA 0.071 4.621 4.550 -0.000 0.000 0.301 30 Y C 1.334 177.282 175.900 0.081 0.000 1.172 30 Y CA 1.080 59.245 58.100 0.108 0.000 1.328 30 Y CB -0.696 37.830 38.460 0.110 0.000 1.016 30 Y HN 0.299 nan 8.280 nan 0.000 0.529 31 N N -2.578 116.245 118.700 0.204 0.000 2.143 31 N HA 0.037 4.777 4.740 -0.000 0.000 0.222 31 N C 0.844 176.439 175.510 0.142 0.000 1.264 31 N CA 0.114 53.274 53.050 0.182 0.000 0.897 31 N CB -0.602 37.991 38.487 0.177 0.000 1.092 31 N HN -0.001 nan 8.380 nan 0.000 0.516 32 L N 1.141 122.407 121.223 0.071 0.000 1.989 32 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 32 L C 2.425 179.299 176.870 0.006 0.000 1.071 32 L CA 1.831 56.671 54.840 -0.001 0.000 0.749 32 L CB -1.062 40.991 42.059 -0.011 0.000 0.890 32 L HN 0.324 nan 8.230 nan 0.000 0.431 33 Q N -1.763 118.074 119.800 0.063 0.000 2.084 33 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 33 Q C 2.308 178.398 176.000 0.150 0.000 0.978 33 Q CA 1.706 57.554 55.803 0.076 0.000 0.844 33 Q CB -0.507 28.292 28.738 0.102 0.000 0.898 33 Q HN 0.465 nan 8.270 nan 0.000 0.426 34 F N 1.387 121.369 119.950 0.054 0.000 2.171 34 F HA -0.193 4.334 4.527 -0.000 0.000 0.300 34 F C 1.861 177.682 175.800 0.036 0.000 1.090 34 F CA 0.678 58.724 58.000 0.076 0.000 1.293 34 F CB -0.156 38.853 39.000 0.014 0.000 1.013 34 F HN -0.007 nan 8.300 nan 0.000 0.486 35 L N 0.767 121.904 121.223 -0.144 0.000 2.127 35 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 35 L C 2.072 178.735 176.870 -0.345 0.000 1.089 35 L CA 1.638 56.261 54.840 -0.362 0.000 0.757 35 L CB -1.430 40.396 42.059 -0.389 0.000 0.899 35 L HN 0.152 nan 8.230 nan 0.000 0.434 36 D N -1.482 118.768 120.400 -0.250 0.000 2.104 36 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 36 D C 2.079 178.186 176.300 -0.323 0.000 0.994 36 D CA 1.232 55.069 54.000 -0.272 0.000 0.830 36 D CB -0.146 40.479 40.800 -0.292 0.000 0.959 36 D HN 0.465 nan 8.370 nan 0.000 0.452 37 H N 0.067 118.962 119.070 -0.291 0.000 2.387 37 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 37 H C 2.351 177.496 175.328 -0.305 0.000 1.090 37 H CA 1.164 57.038 56.048 -0.290 0.000 1.332 37 H CB -0.273 29.285 29.762 -0.340 0.000 1.386 37 H HN 0.079 nan 8.280 nan 0.000 0.516 38 V N 0.653 120.383 119.914 -0.308 0.000 2.548 38 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 38 V C 2.187 178.213 176.094 -0.114 0.000 1.055 38 V CA 1.122 63.292 62.300 -0.215 0.000 1.065 38 V CB -0.585 31.101 31.823 -0.228 0.000 0.681 38 V HN 0.256 nan 8.190 nan 0.000 0.462 39 I N 0.317 120.801 120.570 -0.144 0.000 2.353 39 I HA -0.097 4.073 4.170 -0.000 0.000 0.248 39 I C 2.087 178.159 176.117 -0.075 0.000 1.119 39 I CA 1.662 62.910 61.300 -0.086 0.000 1.417 39 I CB -0.343 37.590 38.000 -0.111 0.000 1.078 39 I HN 0.338 nan 8.210 nan 0.000 0.421 40 D N 0.253 120.590 120.400 -0.105 0.000 2.317 40 D HA -0.040 4.600 4.640 -0.000 0.000 0.211 40 D C 1.169 177.441 176.300 -0.046 0.000 0.966 40 D CA 0.402 54.354 54.000 -0.081 0.000 0.876 40 D CB 0.064 40.795 40.800 -0.114 0.000 0.927 40 D HN 0.087 nan 8.370 nan 0.000 0.519 41 S N 1.583 117.256 115.700 -0.045 0.000 2.549 41 S HA 0.090 4.560 4.470 -0.000 0.000 0.283 41 S C -1.504 173.083 174.600 -0.022 0.000 1.320 41 S CA -1.065 57.122 58.200 -0.022 0.000 1.058 41 S CB 1.356 64.540 63.200 -0.027 0.000 0.882 41 S HN -0.039 nan 8.310 nan 0.000 0.498 42 P HA 0.208 nan 4.420 nan 0.000 0.255 42 P C -0.110 177.175 177.300 -0.024 0.000 1.248 42 P CA 0.278 63.369 63.100 -0.015 0.000 0.807 42 P CB 0.284 31.981 31.700 -0.005 0.000 1.150 43 D N -0.648 119.738 120.400 -0.023 0.000 2.423 43 D HA 0.143 4.783 4.640 -0.000 0.000 0.208 43 D C 0.591 176.857 176.300 -0.056 0.000 1.068 43 D CA 0.325 54.307 54.000 -0.030 0.000 0.860 43 D CB 1.137 41.932 40.800 -0.009 0.000 0.992 43 D HN 0.168 nan 8.370 nan 0.000 0.504 44 I N 1.273 121.808 120.570 -0.058 0.000 2.465 44 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 44 I C -0.250 175.809 176.117 -0.097 0.000 1.014 44 I CA -0.789 60.464 61.300 -0.080 0.000 1.093 44 I CB 1.906 39.896 38.000 -0.018 0.000 1.267 44 I HN -0.086 nan 8.210 nan 0.000 0.431 45 C N 7.597 126.777 119.300 -0.199 0.000 2.303 45 C HA 0.428 4.888 4.460 -0.000 0.000 0.326 45 C C 0.067 175.039 174.990 -0.031 0.000 1.285 45 C CA -0.576 58.360 59.018 -0.137 0.000 1.675 45 C CB 0.443 28.012 27.740 -0.285 0.000 2.289 45 C HN 0.879 nan 8.230 nan 0.000 0.512 46 W N 6.658 127.893 121.300 -0.108 0.000 2.238 46 W HA 0.563 5.224 4.660 0.001 0.000 0.321 46 W C -1.529 174.948 176.519 -0.070 0.000 1.293 46 W CA -0.328 56.964 57.345 -0.089 0.000 1.204 46 W CB 1.178 30.607 29.460 -0.051 0.000 1.167 46 W HN 0.524 nan 8.180 nan 0.000 0.553 47 V N 6.821 126.057 119.914 -1.131 0.000 2.340 47 V HA 0.288 4.408 4.120 -0.000 0.000 0.277 47 V C 0.752 176.154 176.094 -1.155 0.000 1.017 47 V CA -0.708 61.060 62.300 -0.885 0.000 0.820 47 V CB 0.638 32.013 31.823 -0.747 0.000 1.028 47 V HN 0.700 nan 8.190 nan 0.000 0.436 48 G N 2.641 110.900 108.800 -0.902 0.000 2.403 48 G HA2 0.432 4.392 3.960 -0.000 0.000 0.259 48 G HA3 0.432 4.392 3.960 -0.000 0.000 0.259 48 G C -0.112 174.750 174.900 -0.063 0.000 1.244 48 G CA -0.052 44.849 45.100 -0.332 0.000 0.849 48 G HN 0.729 nan 8.290 nan 0.000 0.532 49 C N 0.715 120.020 119.300 0.008 0.000 2.668 49 C HA 0.690 5.150 4.460 -0.000 0.000 0.355 49 C C 1.963 176.957 174.990 0.006 0.000 1.277 49 C CA 0.245 59.269 59.018 0.010 0.000 1.787 49 C CB 1.512 29.281 27.740 0.047 0.000 2.233 49 C HN 0.918 nan 8.230 nan 0.000 0.495 50 A N 1.110 123.905 122.820 -0.042 0.000 1.898 50 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 50 A C 0.568 178.155 177.584 0.004 0.000 1.181 50 A CA 2.052 54.075 52.037 -0.022 0.000 0.620 50 A CB -0.549 18.422 19.000 -0.048 0.000 0.819 50 A HN 1.040 nan 8.150 nan 0.000 0.442 51 N N -2.446 116.253 118.700 -0.002 0.000 2.708 51 N HA 0.261 5.001 4.740 -0.000 0.000 0.257 51 N C -0.087 175.414 175.510 -0.015 0.000 1.373 51 N CA -0.152 52.899 53.050 0.000 0.000 0.843 51 N CB 0.553 39.036 38.487 -0.008 0.000 1.503 51 N HN 0.003 nan 8.380 nan 0.000 0.504 52 E N 0.196 120.385 120.200 -0.019 0.000 2.268 52 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 52 E C 1.204 177.726 176.600 -0.130 0.000 0.995 52 E CA 0.356 56.729 56.400 -0.044 0.000 0.836 52 E CB -0.144 29.543 29.700 -0.022 0.000 0.763 52 E HN 0.609 nan 8.360 nan 0.000 0.491 53 L N 1.490 122.617 121.223 -0.159 0.000 2.027 53 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 53 L C 1.764 178.375 176.870 -0.431 0.000 1.074 53 L CA 1.667 56.315 54.840 -0.319 0.000 0.745 53 L CB -0.516 41.389 42.059 -0.256 0.000 0.898 53 L HN 0.144 nan 8.230 nan 0.000 0.433 54 N N -0.224 118.358 118.700 -0.196 0.000 2.120 54 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 54 N C 1.896 177.362 175.510 -0.074 0.000 1.024 54 N CA 1.139 54.150 53.050 -0.064 0.000 0.852 54 N CB -0.095 38.388 38.487 -0.006 0.000 1.003 54 N HN 0.424 nan 8.380 nan 0.000 0.424 55 A N 1.415 124.185 122.820 -0.084 0.000 1.892 55 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 55 A C 2.396 179.879 177.584 -0.168 0.000 1.188 55 A CA 2.250 54.243 52.037 -0.073 0.000 0.631 55 A CB -0.955 18.042 19.000 -0.005 0.000 0.822 55 A HN 0.460 nan 8.150 nan 0.000 0.447 56 S N -1.562 114.023 115.700 -0.191 0.000 2.382 56 S HA -0.188 4.282 4.470 -0.000 0.000 0.228 56 S C 1.904 176.460 174.600 -0.074 0.000 1.027 56 S CA 1.504 59.591 58.200 -0.189 0.000 0.991 56 S CB -0.746 62.308 63.200 -0.243 0.000 0.823 56 S HN 0.506 nan 8.310 nan 0.000 0.469 57 Y N 2.361 122.612 120.300 -0.082 0.000 2.200 57 Y HA 0.213 4.763 4.550 0.000 0.000 0.290 57 Y C 3.052 178.807 175.900 -0.241 0.000 1.137 57 Y CA -0.128 57.927 58.100 -0.076 0.000 1.163 57 Y CB -1.399 36.996 38.460 -0.109 0.000 0.988 57 Y HN 0.390 nan 8.280 nan 0.000 0.518 58 A N 0.104 122.827 122.820 -0.162 0.000 1.902 58 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 58 A C 2.532 179.688 177.584 -0.714 0.000 1.181 58 A CA 2.071 53.831 52.037 -0.461 0.000 0.623 58 A CB -1.220 17.429 19.000 -0.586 0.000 0.818 58 A HN 0.378 nan 8.150 nan 0.000 0.443 59 A N -0.285 122.121 122.820 -0.690 0.000 1.908 59 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 59 A C 1.978 179.496 177.584 -0.111 0.000 1.181 59 A CA 1.974 53.766 52.037 -0.410 0.000 0.627 59 A CB -0.628 18.258 19.000 -0.190 0.000 0.818 59 A HN 0.587 nan 8.150 nan 0.000 0.445 60 D N -0.358 120.016 120.400 -0.043 0.000 2.097 60 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 60 D C 2.084 178.435 176.300 0.085 0.000 0.989 60 D CA 1.680 55.728 54.000 0.081 0.000 0.827 60 D CB -0.422 40.536 40.800 0.264 0.000 0.966 60 D HN 0.342 nan 8.370 nan 0.000 0.456 61 G N -0.716 108.087 108.800 0.005 0.000 2.418 61 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 61 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 61 G C 1.639 176.544 174.900 0.009 0.000 1.158 61 G CA 0.869 45.953 45.100 -0.027 0.000 0.771 61 G HN 0.364 nan 8.290 nan 0.000 0.545 62 Y N 1.966 122.188 120.300 -0.130 0.000 2.128 62 Y HA -0.065 4.485 4.550 0.000 0.000 0.284 62 Y C 2.957 178.863 175.900 0.010 0.000 1.154 62 Y CA 1.683 59.759 58.100 -0.041 0.000 1.149 62 Y CB -0.385 38.111 38.460 0.059 0.000 0.976 62 Y HN 0.244 nan 8.280 nan 0.000 0.505 63 A N 0.507 123.473 122.820 0.244 0.000 1.978 63 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 63 A C 2.183 179.803 177.584 0.061 0.000 1.170 63 A CA 1.661 53.789 52.037 0.151 0.000 0.636 63 A CB -0.589 18.452 19.000 0.069 0.000 0.810 63 A HN 0.551 nan 8.150 nan 0.000 0.448 64 R N -1.399 119.127 120.500 0.044 0.000 2.316 64 R HA -0.009 4.331 4.340 -0.000 0.000 0.202 64 R C 1.386 177.676 176.300 -0.016 0.000 1.029 64 R CA 0.939 57.055 56.100 0.027 0.000 1.018 64 R CB -0.387 29.942 30.300 0.048 0.000 0.888 64 R HN 0.635 nan 8.270 nan 0.000 0.471 65 C N -0.614 118.647 119.300 -0.064 0.000 2.464 65 C HA 0.160 4.620 4.460 -0.000 0.000 0.348 65 C C 1.759 176.675 174.990 -0.123 0.000 1.367 65 C CA 0.074 59.024 59.018 -0.114 0.000 2.012 65 C CB 0.162 27.788 27.740 -0.190 0.000 2.434 65 C HN 0.340 nan 8.230 nan 0.000 0.536 66 K N 0.533 120.843 120.400 -0.151 0.000 2.358 66 K HA 0.291 4.611 4.320 -0.000 0.000 0.197 66 K C 1.322 177.951 176.600 0.048 0.000 1.025 66 K CA 0.799 57.039 56.287 -0.078 0.000 1.104 66 K CB 0.455 32.864 32.500 -0.152 0.000 0.855 66 K HN 0.479 nan 8.250 nan 0.000 0.531 67 G N 1.642 110.479 108.800 0.061 0.000 2.179 67 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 67 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 67 G C -0.124 174.914 174.900 0.230 0.000 0.977 67 G CA 0.258 45.414 45.100 0.094 0.000 0.641 67 G HN 0.330 nan 8.290 nan 0.000 0.533 68 F N 0.015 120.031 119.950 0.109 0.000 2.703 68 F HA 0.667 5.194 4.527 0.000 0.000 0.308 68 F C -0.699 175.269 175.800 0.280 0.000 1.126 68 F CA 0.218 58.308 58.000 0.151 0.000 0.959 68 F CB 1.209 40.281 39.000 0.120 0.000 1.297 68 F HN 0.913 nan 8.300 nan 0.000 0.441 69 A N 2.438 125.011 122.820 -0.412 0.000 2.610 69 A HA 0.968 5.288 4.320 -0.000 0.000 0.291 69 A C -2.044 175.385 177.584 -0.259 0.000 1.086 69 A CA -0.232 51.757 52.037 -0.079 0.000 0.677 69 A CB 1.269 20.315 19.000 0.076 0.000 1.278 69 A HN 1.776 nan 8.150 nan 0.000 0.414 70 A N 0.011 122.825 122.820 -0.009 0.000 2.435 70 A HA 0.819 5.139 4.320 -0.000 0.000 0.304 70 A C -1.441 176.216 177.584 0.122 0.000 1.064 70 A CA -0.444 51.631 52.037 0.063 0.000 0.727 70 A CB 1.451 20.562 19.000 0.185 0.000 1.284 70 A HN 2.109 nan 8.150 nan 0.000 0.415 71 L N 2.220 123.514 121.223 0.118 0.000 2.386 71 L HA 0.758 5.098 4.340 -0.000 0.000 0.271 71 L C -1.547 175.456 176.870 0.221 0.000 0.993 71 L CA -0.558 54.359 54.840 0.128 0.000 0.819 71 L CB 1.823 43.851 42.059 -0.052 0.000 1.294 71 L HN 0.700 nan 8.230 nan 0.000 0.414 72 L N 5.130 126.527 121.223 0.290 0.000 2.376 72 L HA 0.716 5.056 4.340 -0.000 0.000 0.275 72 L C -0.852 176.210 176.870 0.320 0.000 0.987 72 L CA 0.133 55.176 54.840 0.339 0.000 0.828 72 L CB 1.508 43.859 42.059 0.486 0.000 1.249 72 L HN 0.971 nan 8.230 nan 0.000 0.409 73 T N 0.622 115.339 114.554 0.273 0.000 2.831 73 T HA 0.503 4.853 4.350 -0.000 0.000 0.287 73 T C -0.242 174.570 174.700 0.185 0.000 1.070 73 T CA -0.575 61.667 62.100 0.237 0.000 1.010 73 T CB 2.102 71.139 68.868 0.281 0.000 1.264 73 T HN 0.521 nan 8.240 nan 0.000 0.532 74 T N 0.288 114.940 114.554 0.163 0.000 2.895 74 T HA 0.538 4.888 4.350 -0.000 0.000 0.283 74 T C -0.591 174.231 174.700 0.204 0.000 1.014 74 T CA -0.749 61.479 62.100 0.214 0.000 1.037 74 T CB 0.191 69.186 68.868 0.211 0.000 1.006 74 T HN 0.531 nan 8.240 nan 0.000 0.468 75 F N 3.799 123.854 119.950 0.176 0.000 2.623 75 F HA 0.276 4.803 4.527 0.000 0.000 0.381 75 F C 1.546 177.368 175.800 0.036 0.000 1.081 75 F CA 2.033 60.124 58.000 0.152 0.000 1.293 75 F CB -0.248 38.857 39.000 0.175 0.000 1.006 75 F HN 0.976 nan 8.300 nan 0.000 0.578 76 G N 3.809 112.139 108.800 -0.784 0.000 4.430 76 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.332 76 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.332 76 G C 1.148 175.666 174.900 -0.637 0.000 1.338 76 G CA 1.563 46.026 45.100 -1.061 0.000 1.024 76 G HN 1.628 nan 8.290 nan 0.000 0.750 77 V N -0.046 119.614 119.914 -0.424 0.000 2.392 77 V HA 0.197 4.317 4.120 -0.000 0.000 0.249 77 V C 2.741 178.713 176.094 -0.203 0.000 1.059 77 V CA 2.844 64.966 62.300 -0.298 0.000 1.051 77 V CB -1.458 30.179 31.823 -0.310 0.000 0.658 77 V HN 1.587 nan 8.190 nan 0.000 0.455 78 G N 1.411 110.112 108.800 -0.165 0.000 2.404 78 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.213 78 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.213 78 G C 1.476 176.375 174.900 -0.001 0.000 1.189 78 G CA 0.830 45.905 45.100 -0.042 0.000 0.796 78 G HN 0.768 nan 8.290 nan 0.000 0.532 79 E N 0.521 120.724 120.200 0.004 0.000 2.077 79 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 79 E C 2.405 179.037 176.600 0.052 0.000 0.989 79 E CA 0.807 57.289 56.400 0.136 0.000 0.800 79 E CB -0.543 29.195 29.700 0.064 0.000 0.746 79 E HN 0.406 nan 8.360 nan 0.000 0.452 80 L N 1.255 122.400 121.223 -0.129 0.000 2.141 80 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 80 L C 2.443 179.270 176.870 -0.071 0.000 1.094 80 L CA 0.996 55.763 54.840 -0.122 0.000 0.763 80 L CB -0.320 41.598 42.059 -0.236 0.000 0.908 80 L HN 0.163 nan 8.230 nan 0.000 0.437 81 S N -0.072 115.583 115.700 -0.076 0.000 2.447 81 S HA -0.046 4.424 4.470 -0.000 0.000 0.233 81 S C 1.863 176.416 174.600 -0.079 0.000 1.006 81 S CA 1.020 59.180 58.200 -0.066 0.000 0.957 81 S CB -0.012 63.151 63.200 -0.061 0.000 0.773 81 S HN 0.492 nan 8.310 nan 0.000 0.507 82 A N 0.634 123.411 122.820 -0.072 0.000 2.308 82 A HA 0.304 4.624 4.320 -0.000 0.000 0.217 82 A C 1.826 179.353 177.584 -0.095 0.000 1.216 82 A CA -0.040 51.917 52.037 -0.133 0.000 0.864 82 A CB -0.288 18.582 19.000 -0.218 0.000 0.902 82 A HN 0.292 nan 8.150 nan 0.000 0.499 83 M N 0.320 119.906 119.600 -0.025 0.000 2.113 83 M HA -0.260 4.220 4.480 -0.000 0.000 0.255 83 M C 2.054 178.352 176.300 -0.004 0.000 1.073 83 M CA 2.058 57.359 55.300 0.002 0.000 1.091 83 M CB -1.190 31.420 32.600 0.017 0.000 1.309 83 M HN 0.743 nan 8.290 nan 0.000 0.407 84 N N -0.122 118.605 118.700 0.045 0.000 2.205 84 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 84 N C 1.705 177.294 175.510 0.132 0.000 1.015 84 N CA 1.308 54.468 53.050 0.184 0.000 0.862 84 N CB -0.008 38.630 38.487 0.252 0.000 0.986 84 N HN 0.390 nan 8.380 nan 0.000 0.429 85 G N 1.389 110.175 108.800 -0.023 0.000 2.394 85 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.214 85 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.214 85 G C 1.526 176.392 174.900 -0.057 0.000 1.176 85 G CA 0.202 45.295 45.100 -0.011 0.000 0.786 85 G HN 0.192 nan 8.290 nan 0.000 0.533 86 I N 2.114 122.623 120.570 -0.102 0.000 2.226 86 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 86 I C 3.273 179.290 176.117 -0.167 0.000 1.100 86 I CA 1.185 62.430 61.300 -0.090 0.000 1.374 86 I CB -1.360 36.627 38.000 -0.022 0.000 1.057 86 I HN 0.255 nan 8.210 nan 0.000 0.413 87 A N 1.063 123.710 122.820 -0.288 0.000 1.883 87 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 87 A C 2.534 179.555 177.584 -0.939 0.000 1.186 87 A CA 2.075 53.763 52.037 -0.583 0.000 0.624 87 A CB -1.391 17.198 19.000 -0.685 0.000 0.822 87 A HN 0.433 nan 8.150 nan 0.000 0.444 88 G N -0.874 107.296 108.800 -1.049 0.000 2.418 88 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 88 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 88 G C 1.819 176.505 174.900 -0.356 0.000 1.158 88 G CA 1.316 45.849 45.100 -0.946 0.000 0.771 88 G HN 0.498 nan 8.290 nan 0.000 0.545 89 S N -0.305 115.279 115.700 -0.195 0.000 2.370 89 S HA -0.161 4.309 4.470 -0.000 0.000 0.226 89 S C 1.971 176.518 174.600 -0.088 0.000 1.033 89 S CA 1.295 59.446 58.200 -0.082 0.000 1.011 89 S CB -0.446 62.730 63.200 -0.040 0.000 0.852 89 S HN 0.530 nan 8.310 nan 0.000 0.457 90 Y N 2.233 122.394 120.300 -0.230 0.000 2.200 90 Y HA -0.062 4.488 4.550 -0.000 0.000 0.290 90 Y C 2.413 178.181 175.900 -0.220 0.000 1.137 90 Y CA 0.938 58.902 58.100 -0.228 0.000 1.163 90 Y CB -0.694 37.630 38.460 -0.227 0.000 0.988 90 Y HN 0.212 nan 8.280 nan 0.000 0.518 91 A N 0.196 122.969 122.820 -0.078 0.000 1.933 91 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 91 A C 1.760 179.375 177.584 0.052 0.000 1.175 91 A CA 1.879 53.909 52.037 -0.010 0.000 0.628 91 A CB -0.450 18.544 19.000 -0.009 0.000 0.814 91 A HN 0.623 nan 8.150 nan 0.000 0.444 92 E N -1.215 118.998 120.200 0.021 0.000 2.499 92 E HA 0.161 4.511 4.350 -0.000 0.000 0.199 92 E C -0.860 175.978 176.600 0.396 0.000 1.016 92 E CA -0.328 56.148 56.400 0.127 0.000 0.933 92 E CB 0.014 29.679 29.700 -0.059 0.000 1.050 92 E HN 0.696 nan 8.360 nan 0.000 0.462 93 H N -0.692 118.414 119.070 0.060 0.000 2.819 93 H HA -0.125 4.431 4.556 0.000 0.000 0.323 93 H C -0.976 174.359 175.328 0.011 0.000 1.243 93 H CA 0.269 56.328 56.048 0.019 0.000 1.163 93 H CB -1.974 27.837 29.762 0.081 0.000 1.493 93 H HN -0.051 nan 8.280 nan 0.000 0.434 94 V N 2.123 122.057 119.914 0.034 0.000 2.357 94 V HA 0.290 4.410 4.120 -0.000 0.000 0.284 94 V C -1.729 174.346 176.094 -0.031 0.000 1.018 94 V CA -1.553 60.760 62.300 0.022 0.000 0.841 94 V CB 1.877 33.718 31.823 0.030 0.000 0.991 94 V HN 0.179 nan 8.190 nan 0.000 0.437 95 P HA 0.128 nan 4.420 nan 0.000 0.263 95 P C -0.560 176.556 177.300 -0.306 0.000 1.601 95 P CA 0.216 63.255 63.100 -0.100 0.000 1.161 95 P CB 0.618 32.325 31.700 0.012 0.000 1.730 96 V N 5.563 125.348 119.914 -0.216 0.000 2.384 96 V HA 0.213 4.333 4.120 -0.000 0.000 0.287 96 V C 0.390 176.383 176.094 -0.168 0.000 1.020 96 V CA -0.940 61.212 62.300 -0.246 0.000 0.850 96 V CB 1.807 33.560 31.823 -0.116 0.000 0.987 96 V HN 0.313 nan 8.190 nan 0.000 0.436 97 L N 5.231 126.326 121.223 -0.214 0.000 2.276 97 L HA 0.459 4.799 4.340 -0.000 0.000 0.286 97 L C -0.161 176.762 176.870 0.089 0.000 1.061 97 L CA 0.272 55.114 54.840 0.004 0.000 0.807 97 L CB 0.575 42.702 42.059 0.113 0.000 1.177 97 L HN 0.750 nan 8.230 nan 0.000 0.429 98 H N 5.904 124.965 119.070 -0.016 0.000 2.581 98 H HA 0.464 5.020 4.556 0.000 0.000 0.308 98 H C -0.880 174.334 175.328 -0.189 0.000 1.040 98 H CA -0.890 55.118 56.048 -0.066 0.000 1.231 98 H CB 0.733 30.474 29.762 -0.034 0.000 1.396 98 H HN 0.656 nan 8.280 nan 0.000 0.467 99 I N 6.169 126.778 120.570 0.065 0.000 2.336 99 I HA 0.148 4.318 4.170 -0.000 0.000 0.292 99 I C -0.435 175.570 176.117 -0.187 0.000 0.991 99 I CA -0.797 60.414 61.300 -0.148 0.000 1.227 99 I CB 1.777 39.724 38.000 -0.089 0.000 1.366 99 I HN 0.294 nan 8.210 nan 0.000 0.466 100 V N 6.155 125.854 119.914 -0.358 0.000 2.444 100 V HA 0.703 4.823 4.120 -0.000 0.000 0.294 100 V C 0.291 176.328 176.094 -0.094 0.000 1.022 100 V CA -0.252 61.925 62.300 -0.205 0.000 0.850 100 V CB 1.413 33.060 31.823 -0.293 0.000 0.992 100 V HN 0.828 nan 8.190 nan 0.000 0.426 101 G N 5.186 113.988 108.800 0.005 0.000 2.378 101 G HA2 0.640 4.600 3.960 -0.000 0.000 0.255 101 G HA3 0.640 4.600 3.960 -0.000 0.000 0.255 101 G C -0.096 174.866 174.900 0.103 0.000 1.270 101 G CA 0.323 45.443 45.100 0.033 0.000 0.876 101 G HN 1.614 nan 8.290 nan 0.000 0.521 102 A N 4.035 126.812 122.820 -0.071 0.000 2.485 102 A HA 0.954 5.274 4.320 -0.000 0.000 0.292 102 A C -2.748 174.449 177.584 -0.645 0.000 1.147 102 A CA -1.606 50.202 52.037 -0.382 0.000 0.750 102 A CB 1.543 20.360 19.000 -0.306 0.000 1.331 102 A HN 0.518 nan 8.150 nan 0.000 0.419 103 P HA 0.238 nan 4.420 nan 0.000 0.270 103 P C 0.499 177.508 177.300 -0.486 0.000 1.227 103 P CA 0.422 63.013 63.100 -0.847 0.000 0.788 103 P CB 0.408 31.559 31.700 -0.916 0.000 0.926 104 G N 0.044 108.664 108.800 -0.300 0.000 2.554 104 G HA2 0.142 4.102 3.960 -0.000 0.000 0.238 104 G HA3 0.142 4.102 3.960 -0.000 0.000 0.238 104 G C 1.270 175.982 174.900 -0.313 0.000 1.259 104 G CA 0.181 45.139 45.100 -0.238 0.000 0.843 104 G HN 0.571 nan 8.290 nan 0.000 0.582 105 T N -0.249 114.153 114.554 -0.254 0.000 2.699 105 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 105 T C 2.569 177.117 174.700 -0.253 0.000 1.036 105 T CA 1.979 63.923 62.100 -0.259 0.000 1.147 105 T CB -0.428 68.327 68.868 -0.188 0.000 0.862 105 T HN 0.777 nan 8.240 nan 0.000 0.446 106 A N 2.133 124.836 122.820 -0.196 0.000 1.902 106 A HA 0.284 4.604 4.320 -0.000 0.000 0.217 106 A C 2.876 180.338 177.584 -0.204 0.000 1.181 106 A CA 2.105 54.043 52.037 -0.164 0.000 0.623 106 A CB -1.467 17.464 19.000 -0.115 0.000 0.818 106 A HN 0.812 nan 8.150 nan 0.000 0.443 107 A N -0.809 121.864 122.820 -0.245 0.000 1.933 107 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 107 A C 2.126 179.418 177.584 -0.485 0.000 1.175 107 A CA 1.667 53.536 52.037 -0.278 0.000 0.628 107 A CB -0.524 18.322 19.000 -0.257 0.000 0.814 107 A HN 0.680 nan 8.150 nan 0.000 0.444 108 Q N -1.199 118.175 119.800 -0.711 0.000 2.079 108 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 108 Q C 2.277 177.987 176.000 -0.482 0.000 0.974 108 Q CA 1.193 56.337 55.803 -1.100 0.000 0.840 108 Q CB -0.189 27.962 28.738 -0.978 0.000 0.898 108 Q HN 0.559 nan 8.270 nan 0.000 0.430 109 Q N 0.718 120.339 119.800 -0.299 0.000 2.135 109 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 109 Q C 1.828 177.771 176.000 -0.095 0.000 0.981 109 Q CA 1.367 57.077 55.803 -0.155 0.000 0.856 109 Q CB -0.081 28.580 28.738 -0.129 0.000 0.902 109 Q HN 0.232 nan 8.270 nan 0.000 0.425 110 R N -0.899 119.536 120.500 -0.108 0.000 2.235 110 R HA -0.018 4.322 4.340 -0.000 0.000 0.213 110 R C 0.959 177.271 176.300 0.019 0.000 1.059 110 R CA 0.673 56.746 56.100 -0.044 0.000 0.997 110 R CB -0.129 30.141 30.300 -0.051 0.000 0.884 110 R HN 0.388 nan 8.270 nan 0.000 0.462 111 G N 1.693 110.537 108.800 0.074 0.000 2.295 111 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.287 111 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.287 111 G C -0.557 174.474 174.900 0.218 0.000 1.055 111 G CA 0.255 45.499 45.100 0.240 0.000 0.922 111 G HN 0.407 nan 8.290 nan 0.000 0.503 112 E N -0.969 119.369 120.200 0.229 0.000 2.374 112 E HA 0.390 4.740 4.350 -0.000 0.000 0.260 112 E C 0.917 177.637 176.600 0.201 0.000 1.101 112 E CA -0.637 55.866 56.400 0.171 0.000 0.907 112 E CB 0.764 30.535 29.700 0.119 0.000 1.014 112 E HN 0.268 nan 8.360 nan 0.000 0.427 113 L N 3.230 124.530 121.223 0.127 0.000 2.391 113 L HA 0.098 4.438 4.340 -0.000 0.000 0.249 113 L C -0.628 176.323 176.870 0.136 0.000 1.308 113 L CA -0.418 54.486 54.840 0.106 0.000 1.209 113 L CB -0.558 41.548 42.059 0.079 0.000 1.401 113 L HN 0.213 nan 8.230 nan 0.000 0.416 114 L N 1.224 122.552 121.223 0.176 0.000 2.399 114 L HA 0.231 4.571 4.340 -0.000 0.000 0.266 114 L C 0.576 177.532 176.870 0.143 0.000 1.114 114 L CA -0.318 54.629 54.840 0.178 0.000 0.804 114 L CB 0.811 43.006 42.059 0.226 0.000 1.146 114 L HN 0.435 nan 8.230 nan 0.000 0.451 115 H N 0.718 119.868 119.070 0.133 0.000 2.771 115 H HA 0.239 4.795 4.556 -0.000 0.000 0.364 115 H C -0.117 175.329 175.328 0.196 0.000 1.133 115 H CA -0.096 55.969 56.048 0.028 0.000 1.423 115 H CB 0.139 29.769 29.762 -0.220 0.000 1.425 115 H HN 0.625 nan 8.280 nan 0.000 0.606 116 H N -1.789 117.463 119.070 0.303 0.000 3.132 116 H HA -0.177 4.379 4.556 -0.000 0.000 0.237 116 H C -0.033 175.522 175.328 0.378 0.000 1.189 116 H CA 0.944 57.180 56.048 0.314 0.000 1.129 116 H CB -2.341 27.688 29.762 0.445 0.000 1.225 116 H HN 1.014 nan 8.280 nan 0.000 0.323 117 T N -3.293 111.505 114.554 0.408 0.000 2.910 117 T HA 0.557 4.907 4.350 -0.000 0.000 0.287 117 T C 1.097 175.943 174.700 0.243 0.000 1.050 117 T CA -1.043 61.263 62.100 0.343 0.000 1.011 117 T CB 1.616 70.518 68.868 0.057 0.000 1.195 117 T HN -0.065 nan 8.240 nan 0.000 0.540 118 L N 1.102 122.439 121.223 0.191 0.000 2.599 118 L HA 0.352 4.692 4.340 -0.000 0.000 0.230 118 L C 2.064 178.981 176.870 0.078 0.000 1.141 118 L CA 1.261 56.187 54.840 0.142 0.000 0.877 118 L CB -1.315 40.821 42.059 0.129 0.000 1.009 118 L HN 1.262 nan 8.230 nan 0.000 0.447 119 G N 0.231 109.062 108.800 0.051 0.000 2.147 119 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 119 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 119 G C 0.468 175.378 174.900 0.017 0.000 1.005 119 G CA 0.612 45.734 45.100 0.037 0.000 0.713 119 G HN 0.499 nan 8.290 nan 0.000 0.515 120 D N -1.456 118.936 120.400 -0.012 0.000 2.500 120 D HA 0.388 5.028 4.640 -0.000 0.000 0.217 120 D C 1.670 177.944 176.300 -0.043 0.000 1.159 120 D CA 0.489 54.486 54.000 -0.006 0.000 0.828 120 D CB -0.411 40.410 40.800 0.035 0.000 1.039 120 D HN 1.471 nan 8.370 nan 0.000 0.512 121 G N 0.366 109.101 108.800 -0.109 0.000 2.148 121 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 121 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 121 G C -0.254 174.559 174.900 -0.146 0.000 0.981 121 G CA 0.011 45.072 45.100 -0.064 0.000 0.670 121 G HN 0.349 nan 8.290 nan 0.000 0.528 122 E N -0.672 119.302 120.200 -0.377 0.000 2.175 122 E HA 0.614 4.964 4.350 -0.000 0.000 0.278 122 E C -0.121 176.072 176.600 -0.678 0.000 0.969 122 E CA -0.702 55.446 56.400 -0.420 0.000 0.796 122 E CB 0.823 30.157 29.700 -0.611 0.000 1.104 122 E HN 0.172 nan 8.360 nan 0.000 0.395 123 F N 0.830 120.651 119.950 -0.216 0.000 2.683 123 F HA 0.209 4.737 4.527 0.001 0.000 0.306 123 F C 1.493 177.234 175.800 -0.098 0.000 1.102 123 F CA -0.247 57.711 58.000 -0.070 0.000 1.244 123 F CB 0.602 39.513 39.000 -0.149 0.000 1.029 123 F HN 0.058 nan 8.300 nan 0.000 0.545 124 R N -1.161 119.231 120.500 -0.180 0.000 2.437 124 R HA 0.211 4.551 4.340 -0.000 0.000 0.257 124 R C 1.213 177.361 176.300 -0.253 0.000 0.927 124 R CA 0.098 56.063 56.100 -0.224 0.000 1.078 124 R CB -0.777 29.361 30.300 -0.269 0.000 1.161 124 R HN 0.431 nan 8.270 nan 0.000 0.529 125 H N -0.044 118.823 119.070 -0.337 0.000 2.267 125 H HA -0.133 4.423 4.556 0.000 0.000 0.297 125 H C 1.200 176.377 175.328 -0.251 0.000 1.080 125 H CA 2.012 57.852 56.048 -0.346 0.000 1.278 125 H CB -0.039 29.349 29.762 -0.623 0.000 1.365 125 H HN 0.052 nan 8.280 nan 0.000 0.489 126 F N -0.507 119.487 119.950 0.074 0.000 2.216 126 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 126 F C 2.394 178.144 175.800 -0.084 0.000 1.085 126 F CA 0.750 58.726 58.000 -0.039 0.000 1.326 126 F CB -1.248 37.652 39.000 -0.167 0.000 1.027 126 F HN 0.219 nan 8.300 nan 0.000 0.497 127 Y N 0.537 120.771 120.300 -0.110 0.000 2.145 127 Y HA -0.252 4.298 4.550 0.000 0.000 0.286 127 Y C 2.557 178.239 175.900 -0.363 0.000 1.145 127 Y CA 1.979 59.857 58.100 -0.369 0.000 1.148 127 Y CB -0.964 37.303 38.460 -0.320 0.000 0.981 127 Y HN 0.168 nan 8.280 nan 0.000 0.507 128 H N -1.143 117.850 119.070 -0.127 0.000 2.423 128 H HA -0.096 4.460 4.556 0.000 0.000 0.297 128 H C 2.077 177.288 175.328 -0.195 0.000 1.075 128 H CA 1.390 57.325 56.048 -0.188 0.000 1.342 128 H CB -0.112 29.642 29.762 -0.014 0.000 1.395 128 H HN 0.358 nan 8.280 nan 0.000 0.530 129 M N -0.578 119.021 119.600 -0.002 0.000 2.374 129 M HA -0.113 4.367 4.480 -0.000 0.000 0.264 129 M C 2.028 178.261 176.300 -0.111 0.000 1.067 129 M CA 0.836 56.125 55.300 -0.018 0.000 1.103 129 M CB 0.269 32.909 32.600 0.067 0.000 1.402 129 M HN 0.063 nan 8.290 nan 0.000 0.444 130 S N -0.295 115.262 115.700 -0.239 0.000 2.548 130 S HA -0.026 4.444 4.470 -0.000 0.000 0.215 130 S C 1.715 176.104 174.600 -0.351 0.000 0.976 130 S CA 0.164 58.184 58.200 -0.299 0.000 0.908 130 S CB -0.083 62.832 63.200 -0.475 0.000 0.781 130 S HN 0.339 nan 8.310 nan 0.000 0.519 131 E N 2.286 122.268 120.200 -0.364 0.000 2.085 131 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 131 E C -1.092 175.351 176.600 -0.263 0.000 0.994 131 E CA 1.457 57.669 56.400 -0.312 0.000 0.801 131 E CB -1.005 28.546 29.700 -0.249 0.000 0.743 131 E HN 0.407 nan 8.360 nan 0.000 0.453 132 P HA -0.036 nan 4.420 nan 0.000 0.226 132 P C 1.191 178.111 177.300 -0.634 0.000 1.153 132 P CA 1.016 63.921 63.100 -0.325 0.000 0.777 132 P CB -0.212 31.353 31.700 -0.225 0.000 0.794 133 I N -4.384 115.844 120.570 -0.571 0.000 3.927 133 I HA 0.306 4.476 4.170 -0.000 0.000 0.332 133 I C -0.344 175.517 176.117 -0.428 0.000 1.485 133 I CA -0.354 60.485 61.300 -0.769 0.000 1.131 133 I CB -0.214 37.549 38.000 -0.394 0.000 1.092 133 I HN -0.194 nan 8.210 nan 0.000 0.410 134 T N -1.713 112.681 114.554 -0.267 0.000 2.903 134 T HA 0.456 4.806 4.350 -0.000 0.000 0.299 134 T C 0.628 175.417 174.700 0.149 0.000 1.093 134 T CA -0.185 61.955 62.100 0.067 0.000 1.002 134 T CB 2.116 71.007 68.868 0.039 0.000 1.127 134 T HN 0.009 nan 8.240 nan 0.000 0.488 135 V N -1.803 118.238 119.914 0.211 0.000 3.590 135 V HA 0.733 4.853 4.120 -0.000 0.000 0.265 135 V C 0.692 176.856 176.094 0.116 0.000 1.239 135 V CA 0.460 62.866 62.300 0.177 0.000 1.117 135 V CB -0.925 30.982 31.823 0.138 0.000 0.818 135 V HN 1.327 nan 8.190 nan 0.000 0.451 136 A N 0.830 123.718 122.820 0.112 0.000 2.577 136 A HA 0.763 5.083 4.320 -0.000 0.000 0.297 136 A C -0.970 176.691 177.584 0.128 0.000 1.060 136 A CA -0.432 51.671 52.037 0.110 0.000 0.697 136 A CB 1.560 20.637 19.000 0.128 0.000 1.281 136 A HN 0.637 nan 8.150 nan 0.000 0.402 137 Q N 0.457 120.336 119.800 0.131 0.000 2.534 137 Q HA 0.882 5.222 4.340 -0.000 0.000 0.290 137 Q C -0.871 175.307 176.000 0.297 0.000 0.991 137 Q CA -0.756 55.174 55.803 0.212 0.000 0.783 137 Q CB 2.170 30.915 28.738 0.011 0.000 1.470 137 Q HN 2.207 nan 8.270 nan 0.000 0.406 138 A N 0.676 123.745 122.820 0.415 0.000 2.594 138 A HA 0.569 4.889 4.320 -0.000 0.000 0.296 138 A C -1.447 176.244 177.584 0.179 0.000 1.061 138 A CA -0.662 51.541 52.037 0.277 0.000 0.689 138 A CB 2.006 21.081 19.000 0.124 0.000 1.280 138 A HN 0.462 nan 8.150 nan 0.000 0.406 139 V N 3.278 123.152 119.914 -0.067 0.000 2.320 139 V HA 0.244 4.364 4.120 -0.000 0.000 0.265 139 V C -0.201 175.805 176.094 -0.146 0.000 1.048 139 V CA -0.476 61.709 62.300 -0.192 0.000 0.865 139 V CB 0.461 32.037 31.823 -0.412 0.000 1.043 139 V HN 0.695 nan 8.190 nan 0.000 0.474 140 L N 5.839 126.988 121.223 -0.123 0.000 2.490 140 L HA 0.345 4.685 4.340 -0.000 0.000 0.274 140 L C 0.821 177.596 176.870 -0.159 0.000 1.201 140 L CA 0.976 55.728 54.840 -0.147 0.000 0.869 140 L CB 0.763 42.738 42.059 -0.140 0.000 1.123 140 L HN 0.919 nan 8.230 nan 0.000 0.484 141 T N -1.325 113.130 114.554 -0.166 0.000 2.901 141 T HA 0.327 4.677 4.350 -0.000 0.000 0.293 141 T C 0.728 175.345 174.700 -0.139 0.000 1.084 141 T CA -0.642 61.371 62.100 -0.146 0.000 1.008 141 T CB 1.192 69.984 68.868 -0.127 0.000 1.170 141 T HN 0.634 nan 8.240 nan 0.000 0.509 142 E N -0.039 120.094 120.200 -0.111 0.000 2.209 142 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 142 E C 1.466 178.016 176.600 -0.084 0.000 0.993 142 E CA 1.351 57.695 56.400 -0.093 0.000 0.819 142 E CB -0.021 29.636 29.700 -0.072 0.000 0.745 142 E HN 0.679 nan 8.360 nan 0.000 0.477 143 Q N -0.528 119.227 119.800 -0.076 0.000 2.356 143 Q HA 0.067 4.407 4.340 -0.000 0.000 0.205 143 Q C 0.966 176.939 176.000 -0.044 0.000 0.901 143 Q CA 0.905 56.688 55.803 -0.034 0.000 0.938 143 Q CB 0.406 29.144 28.738 -0.001 0.000 1.081 143 Q HN 0.503 nan 8.270 nan 0.000 0.517 144 N N -2.101 116.471 118.700 -0.214 0.000 2.168 144 N HA 0.244 4.984 4.740 -0.000 0.000 0.216 144 N C 1.399 176.478 175.510 -0.719 0.000 1.259 144 N CA 0.499 53.177 53.050 -0.619 0.000 0.902 144 N CB 0.175 38.343 38.487 -0.530 0.000 1.079 144 N HN 0.055 nan 8.380 nan 0.000 0.507 145 A N 1.857 124.447 122.820 -0.383 0.000 1.997 145 A HA -0.356 3.964 4.320 -0.000 0.000 0.237 145 A C 2.420 179.791 177.584 -0.353 0.000 1.807 145 A CA 2.433 54.283 52.037 -0.311 0.000 0.863 145 A CB -1.571 17.284 19.000 -0.241 0.000 0.821 145 A HN 0.582 nan 8.150 nan 0.000 0.500 146 C N -1.660 117.392 119.300 -0.414 0.000 2.393 146 C HA -0.150 4.310 4.460 -0.000 0.000 0.276 146 C C 2.747 177.653 174.990 -0.142 0.000 1.215 146 C CA 1.257 59.965 59.018 -0.516 0.000 1.743 146 C CB -2.090 25.235 27.740 -0.693 0.000 2.044 146 C HN 0.857 nan 8.230 nan 0.000 0.464 147 Y N 1.312 121.569 120.300 -0.071 0.000 2.373 147 Y HA 0.027 4.577 4.550 -0.000 0.000 0.293 147 Y C 2.104 178.026 175.900 0.036 0.000 1.129 147 Y CA 1.206 59.311 58.100 0.009 0.000 1.226 147 Y CB -0.926 37.537 38.460 0.004 0.000 1.000 147 Y HN 0.206 nan 8.280 nan 0.000 0.549 148 E N 1.157 121.185 120.200 -0.288 0.000 2.107 148 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 148 E C 2.235 178.844 176.600 0.016 0.000 0.982 148 E CA 1.029 57.362 56.400 -0.112 0.000 0.809 148 E CB -0.247 29.309 29.700 -0.240 0.000 0.756 148 E HN 0.640 nan 8.360 nan 0.000 0.459 149 I N 1.568 122.141 120.570 0.005 0.000 2.226 149 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 149 I C 1.793 178.009 176.117 0.165 0.000 1.100 149 I CA 1.205 62.567 61.300 0.103 0.000 1.374 149 I CB -0.155 37.943 38.000 0.163 0.000 1.057 149 I HN -0.042 nan 8.210 nan 0.000 0.413 150 D N 0.225 120.742 120.400 0.195 0.000 2.144 150 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 150 D C 2.160 178.558 176.300 0.162 0.000 0.978 150 D CA 0.869 54.985 54.000 0.194 0.000 0.833 150 D CB -0.251 40.680 40.800 0.218 0.000 0.961 150 D HN 0.267 nan 8.370 nan 0.000 0.470 151 R N 0.968 121.566 120.500 0.165 0.000 2.070 151 R HA -0.132 4.208 4.340 -0.000 0.000 0.233 151 R C 2.350 178.736 176.300 0.144 0.000 1.137 151 R CA 1.777 57.969 56.100 0.154 0.000 0.945 151 R CB -0.264 30.137 30.300 0.168 0.000 0.845 151 R HN 0.193 nan 8.270 nan 0.000 0.430 152 V N -0.615 119.387 119.914 0.147 0.000 2.343 152 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 152 V C 2.257 178.457 176.094 0.176 0.000 1.051 152 V CA 1.626 64.020 62.300 0.157 0.000 1.036 152 V CB -0.739 31.182 31.823 0.163 0.000 0.654 152 V HN 0.296 nan 8.190 nan 0.000 0.451 153 L N 0.426 121.759 121.223 0.184 0.000 2.042 153 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 153 L C 2.889 179.865 176.870 0.178 0.000 1.076 153 L CA 2.406 57.369 54.840 0.206 0.000 0.749 153 L CB -1.033 41.120 42.059 0.158 0.000 0.893 153 L HN 0.401 nan 8.230 nan 0.000 0.432 154 T N -1.423 113.220 114.554 0.149 0.000 2.746 154 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 154 T C 1.861 176.644 174.700 0.138 0.000 1.039 154 T CA 1.879 64.062 62.100 0.138 0.000 1.142 154 T CB -0.213 68.729 68.868 0.122 0.000 0.866 154 T HN 0.347 nan 8.240 nan 0.000 0.444 155 T N 2.198 116.833 114.554 0.135 0.000 2.788 155 T HA 0.006 4.356 4.350 -0.000 0.000 0.268 155 T C 2.046 176.827 174.700 0.135 0.000 1.044 155 T CA 0.994 63.169 62.100 0.125 0.000 1.139 155 T CB -0.304 68.634 68.868 0.118 0.000 0.867 155 T HN 0.306 nan 8.240 nan 0.000 0.454 156 M N 0.260 119.957 119.600 0.162 0.000 2.086 156 M HA -0.071 4.409 4.480 -0.000 0.000 0.261 156 M C 1.993 178.389 176.300 0.160 0.000 1.067 156 M CA 1.385 56.790 55.300 0.175 0.000 1.116 156 M CB -0.435 32.324 32.600 0.265 0.000 1.348 156 M HN 0.186 nan 8.290 nan 0.000 0.407 157 L N -0.173 121.150 121.223 0.166 0.000 2.083 157 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 157 L C 2.459 179.367 176.870 0.063 0.000 1.083 157 L CA 1.698 56.594 54.840 0.095 0.000 0.752 157 L CB -1.188 40.915 42.059 0.073 0.000 0.899 157 L HN 0.300 nan 8.230 nan 0.000 0.433 158 R N -0.252 120.315 120.500 0.112 0.000 2.062 158 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 158 R C 1.720 178.142 176.300 0.205 0.000 1.136 158 R CA 1.229 57.419 56.100 0.151 0.000 0.948 158 R CB 0.126 30.511 30.300 0.142 0.000 0.845 158 R HN 0.260 nan 8.270 nan 0.000 0.430 159 E N 0.456 120.760 120.200 0.173 0.000 2.442 159 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 159 E C -0.015 176.657 176.600 0.121 0.000 1.030 159 E CA 0.052 56.571 56.400 0.198 0.000 0.869 159 E CB 0.235 30.017 29.700 0.136 0.000 0.857 159 E HN 0.178 nan 8.360 nan 0.000 0.505 160 R N 0.544 121.063 120.500 0.032 0.000 3.261 160 R HA -0.169 4.171 4.340 -0.000 0.000 0.257 160 R C -0.185 176.100 176.300 -0.025 0.000 1.014 160 R CA 0.508 56.590 56.100 -0.030 0.000 0.681 160 R CB -2.072 28.125 30.300 -0.172 0.000 1.155 160 R HN 0.235 nan 8.270 nan 0.000 0.424 161 R N -0.840 119.642 120.500 -0.031 0.000 2.781 161 R HA 0.472 4.812 4.340 -0.000 0.000 0.269 161 R C -2.555 173.748 176.300 0.005 0.000 1.025 161 R CA -2.177 53.866 56.100 -0.094 0.000 0.914 161 R CB 2.082 32.243 30.300 -0.232 0.000 1.236 161 R HN -0.158 nan 8.270 nan 0.000 0.465 162 P HA 0.114 nan 4.420 nan 0.000 0.269 162 P C -0.772 176.606 177.300 0.129 0.000 1.209 162 P CA -0.022 63.122 63.100 0.074 0.000 0.776 162 P CB 0.721 32.478 31.700 0.095 0.000 0.876 163 G N 0.849 109.731 108.800 0.138 0.000 2.533 163 G HA2 0.581 4.541 3.960 -0.000 0.000 0.304 163 G HA3 0.581 4.541 3.960 -0.000 0.000 0.304 163 G C -2.298 172.744 174.900 0.238 0.000 1.263 163 G CA -0.357 44.851 45.100 0.181 0.000 0.964 163 G HN 0.386 nan 8.290 nan 0.000 0.479 164 Y N 0.468 120.817 120.300 0.081 0.000 2.406 164 Y HA 0.697 5.247 4.550 0.000 0.000 0.340 164 Y C -1.295 174.650 175.900 0.075 0.000 0.975 164 Y CA -1.174 56.962 58.100 0.060 0.000 1.056 164 Y CB 1.826 40.289 38.460 0.004 0.000 1.210 164 Y HN 0.416 nan 8.280 nan 0.000 0.448 165 L N 7.655 128.777 121.223 -0.168 0.000 2.406 165 L HA 0.498 4.838 4.340 -0.000 0.000 0.272 165 L C -0.695 176.015 176.870 -0.267 0.000 0.980 165 L CA -0.797 53.997 54.840 -0.076 0.000 0.831 165 L CB 2.009 44.033 42.059 -0.059 0.000 1.253 165 L HN 0.708 nan 8.230 nan 0.000 0.406 166 M N 4.785 124.362 119.600 -0.039 0.000 2.084 166 M HA 0.349 4.829 4.480 -0.000 0.000 0.351 166 M C -1.409 174.821 176.300 -0.116 0.000 1.240 166 M CA -0.711 54.558 55.300 -0.052 0.000 1.083 166 M CB 1.060 33.735 32.600 0.125 0.000 1.593 166 M HN 0.441 nan 8.290 nan 0.000 0.463 167 L N 9.392 130.512 121.223 -0.171 0.000 2.313 167 L HA 0.599 4.939 4.340 -0.000 0.000 0.273 167 L C -2.529 174.236 176.870 -0.175 0.000 1.028 167 L CA -1.883 52.837 54.840 -0.199 0.000 0.871 167 L CB 1.005 42.877 42.059 -0.312 0.000 1.242 167 L HN 0.457 nan 8.230 nan 0.000 0.434 168 P HA 0.133 nan 4.420 nan 0.000 0.268 168 P C 0.339 177.562 177.300 -0.129 0.000 1.204 168 P CA 0.136 63.124 63.100 -0.186 0.000 0.768 168 P CB 1.094 32.673 31.700 -0.202 0.000 0.842 169 A N 4.609 127.375 122.820 -0.090 0.000 1.927 169 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 169 A C 1.817 179.388 177.584 -0.022 0.000 1.185 169 A CA 2.311 54.340 52.037 -0.013 0.000 0.639 169 A CB -1.217 17.816 19.000 0.054 0.000 0.820 169 A HN 0.665 nan 8.150 nan 0.000 0.451 170 D N -0.237 120.131 120.400 -0.053 0.000 2.183 170 D HA -0.090 4.550 4.640 -0.000 0.000 0.203 170 D C 1.792 178.057 176.300 -0.058 0.000 0.969 170 D CA 1.486 55.456 54.000 -0.049 0.000 0.842 170 D CB -0.875 39.886 40.800 -0.065 0.000 0.957 170 D HN 0.269 nan 8.370 nan 0.000 0.484 171 V N 1.577 121.441 119.914 -0.084 0.000 2.490 171 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 171 V C 2.916 178.961 176.094 -0.082 0.000 1.061 171 V CA 1.577 63.822 62.300 -0.093 0.000 1.064 171 V CB -0.828 30.923 31.823 -0.120 0.000 0.670 171 V HN 0.359 nan 8.190 nan 0.000 0.461 172 A N -0.150 122.630 122.820 -0.067 0.000 1.972 172 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 172 A C 2.229 179.779 177.584 -0.057 0.000 1.169 172 A CA 1.692 53.702 52.037 -0.045 0.000 0.635 172 A CB -0.357 18.659 19.000 0.025 0.000 0.810 172 A HN 0.562 nan 8.150 nan 0.000 0.446 173 K N -0.516 119.868 120.400 -0.027 0.000 2.432 173 K HA 0.027 4.347 4.320 -0.000 0.000 0.196 173 K C 0.119 176.704 176.600 -0.026 0.000 1.038 173 K CA 0.123 56.404 56.287 -0.011 0.000 0.986 173 K CB 0.044 32.555 32.500 0.020 0.000 0.782 173 K HN 0.134 nan 8.250 nan 0.000 0.485 174 K N 1.624 121.998 120.400 -0.043 0.000 2.414 174 K HA 0.070 4.390 4.320 -0.000 0.000 0.272 174 K C -0.305 176.278 176.600 -0.029 0.000 0.993 174 K CA -0.014 56.251 56.287 -0.037 0.000 0.964 174 K CB 0.518 32.985 32.500 -0.054 0.000 0.925 174 K HN 0.118 nan 8.250 nan 0.000 0.487 175 A N 1.694 124.513 122.820 -0.001 0.000 2.462 175 A HA 0.524 4.844 4.320 -0.000 0.000 0.243 175 A C -0.247 177.366 177.584 0.048 0.000 1.076 175 A CA 0.494 52.552 52.037 0.035 0.000 0.773 175 A CB 0.044 19.070 19.000 0.043 0.000 1.010 175 A HN 0.703 nan 8.150 nan 0.000 0.493 176 A N 0.826 123.728 122.820 0.137 0.000 2.602 176 A HA 0.810 5.130 4.320 -0.000 0.000 0.290 176 A C -0.231 177.583 177.584 0.384 0.000 1.114 176 A CA 0.184 52.340 52.037 0.198 0.000 0.683 176 A CB 1.057 20.156 19.000 0.166 0.000 1.281 176 A HN 1.881 nan 8.150 nan 0.000 0.416 177 T N 0.535 115.264 114.554 0.293 0.000 2.829 177 T HA 0.722 5.072 4.350 -0.000 0.000 0.280 177 T C -2.951 171.794 174.700 0.074 0.000 0.999 177 T CA -1.944 60.224 62.100 0.113 0.000 0.983 177 T CB 1.202 70.098 68.868 0.047 0.000 0.968 177 T HN 0.315 nan 8.240 nan 0.000 0.446 178 P HA 0.247 nan 4.420 nan 0.000 0.265 178 P C -2.483 174.770 177.300 -0.078 0.000 1.193 178 P CA -0.773 62.070 63.100 -0.429 0.000 0.765 178 P CB -0.391 30.913 31.700 -0.659 0.000 0.823 179 P HA 0.008 nan 4.420 nan 0.000 0.271 179 P C 0.734 178.013 177.300 -0.035 0.000 1.216 179 P CA -0.003 63.095 63.100 -0.003 0.000 0.771 179 P CB 0.520 32.154 31.700 -0.109 0.000 0.864 180 V N 2.363 122.270 119.914 -0.011 0.000 2.488 180 V HA -0.091 4.029 4.120 -0.000 0.000 0.246 180 V C 0.717 176.795 176.094 -0.027 0.000 1.046 180 V CA 1.483 63.769 62.300 -0.022 0.000 1.053 180 V CB -0.837 30.980 31.823 -0.010 0.000 0.679 180 V HN 0.594 nan 8.190 nan 0.000 0.458 181 N N -0.595 118.092 118.700 -0.022 0.000 2.314 181 N HA 0.632 5.372 4.740 -0.000 0.000 0.304 181 N C -0.440 175.042 175.510 -0.048 0.000 1.073 181 N CA -0.256 52.775 53.050 -0.031 0.000 0.822 181 N CB 1.897 40.371 38.487 -0.022 0.000 1.280 181 N HN 0.284 nan 8.380 nan 0.000 0.489 182 A N 1.375 124.158 122.820 -0.063 0.000 2.445 182 A HA 0.175 4.495 4.320 -0.000 0.000 0.242 182 A C -0.033 177.495 177.584 -0.092 0.000 1.075 182 A CA -0.295 51.692 52.037 -0.083 0.000 0.777 182 A CB 0.137 19.084 19.000 -0.089 0.000 1.013 182 A HN 0.616 nan 8.150 nan 0.000 0.493 183 L N 2.407 123.575 121.223 -0.092 0.000 2.584 183 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 183 L C 1.205 177.975 176.870 -0.165 0.000 1.195 183 L CA 1.123 55.920 54.840 -0.073 0.000 0.920 183 L CB -0.008 42.030 42.059 -0.036 0.000 1.173 183 L HN 0.842 nan 8.230 nan 0.000 0.489 184 T N 1.116 115.586 114.554 -0.139 0.000 2.909 184 T HA 0.318 4.668 4.350 -0.000 0.000 0.289 184 T C 1.045 175.654 174.700 -0.150 0.000 1.005 184 T CA -0.421 61.539 62.100 -0.233 0.000 1.084 184 T CB 0.889 69.693 68.868 -0.107 0.000 0.975 184 T HN 0.581 nan 8.240 nan 0.000 0.509 185 H N 1.372 120.455 119.070 0.021 0.000 2.316 185 H HA 0.268 4.825 4.556 0.000 0.000 0.314 185 H C 0.976 176.332 175.328 0.047 0.000 1.057 185 H CA 0.477 56.544 56.048 0.032 0.000 1.402 185 H CB -0.561 29.217 29.762 0.027 0.000 1.443 185 H HN 0.790 nan 8.280 nan 0.000 0.559 186 K N 2.314 122.810 120.400 0.159 0.000 4.789 186 K HA -0.218 4.102 4.320 -0.000 0.000 0.290 186 K C -0.792 175.887 176.600 0.131 0.000 0.798 186 K CA 0.124 56.483 56.287 0.120 0.000 0.860 186 K CB -0.766 31.779 32.500 0.074 0.000 1.852 186 K HN 0.485 nan 8.250 nan 0.000 0.413 187 Q N 1.237 121.118 119.800 0.134 0.000 2.332 187 Q HA 0.285 4.625 4.340 -0.000 0.000 0.263 187 Q C 0.452 176.532 176.000 0.133 0.000 0.979 187 Q CA 0.044 55.919 55.803 0.120 0.000 0.885 187 Q CB 1.107 29.909 28.738 0.107 0.000 1.218 187 Q HN 0.572 nan 8.270 nan 0.000 0.405 188 A N 2.663 125.562 122.820 0.132 0.000 2.466 188 A HA 0.108 4.428 4.320 -0.000 0.000 0.238 188 A C -0.619 177.077 177.584 0.187 0.000 1.074 188 A CA -0.218 51.923 52.037 0.173 0.000 0.774 188 A CB 0.154 19.220 19.000 0.110 0.000 1.015 188 A HN 0.685 nan 8.150 nan 0.000 0.498 189 H N -0.234 118.859 119.070 0.037 0.000 2.546 189 H HA 0.542 5.098 4.556 -0.000 0.000 0.365 189 H C 0.866 176.215 175.328 0.034 0.000 1.220 189 H CA 0.532 56.600 56.048 0.034 0.000 1.386 189 H CB 0.907 30.686 29.762 0.027 0.000 1.510 189 H HN 0.890 nan 8.280 nan 0.000 0.591 190 A N 0.703 123.603 122.820 0.133 0.000 2.287 190 A HA 0.193 4.513 4.320 -0.000 0.000 0.273 190 A C -0.139 177.506 177.584 0.101 0.000 1.091 190 A CA -0.458 51.634 52.037 0.091 0.000 0.817 190 A CB -0.046 18.987 19.000 0.055 0.000 1.069 190 A HN 0.852 nan 8.150 nan 0.000 0.492 191 D N 0.290 120.740 120.400 0.083 0.000 2.371 191 D HA 0.219 4.859 4.640 -0.000 0.000 0.256 191 D C 1.552 177.898 176.300 0.076 0.000 1.193 191 D CA 0.753 54.798 54.000 0.075 0.000 0.881 191 D CB 0.742 41.585 40.800 0.071 0.000 1.143 191 D HN 0.499 nan 8.370 nan 0.000 0.473 192 S N 3.358 119.098 115.700 0.066 0.000 2.380 192 S HA -0.331 4.139 4.470 -0.000 0.000 0.229 192 S C 2.087 176.723 174.600 0.060 0.000 1.043 192 S CA 1.029 59.264 58.200 0.059 0.000 1.038 192 S CB -0.661 62.567 63.200 0.046 0.000 0.872 192 S HN 0.582 nan 8.310 nan 0.000 0.456 193 A N 0.602 123.459 122.820 0.062 0.000 1.902 193 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 193 A C 2.608 180.250 177.584 0.096 0.000 1.181 193 A CA 1.460 53.538 52.037 0.069 0.000 0.623 193 A CB -1.575 17.465 19.000 0.066 0.000 0.818 193 A HN 0.743 nan 8.150 nan 0.000 0.443 194 C N -1.107 118.261 119.300 0.113 0.000 2.453 194 C HA -0.031 4.429 4.460 -0.000 0.000 0.277 194 C C 2.484 177.562 174.990 0.147 0.000 1.262 194 C CA 1.224 60.341 59.018 0.166 0.000 1.718 194 C CB -1.365 26.470 27.740 0.160 0.000 2.031 194 C HN 0.593 nan 8.230 nan 0.000 0.480 195 L N 1.405 122.691 121.223 0.105 0.000 2.079 195 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 195 L C 2.523 179.435 176.870 0.070 0.000 1.081 195 L CA 1.949 56.850 54.840 0.101 0.000 0.752 195 L CB -0.959 41.149 42.059 0.081 0.000 0.896 195 L HN 0.259 nan 8.230 nan 0.000 0.433 196 K N -0.322 120.104 120.400 0.044 0.000 2.026 196 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 196 K C 2.020 178.599 176.600 -0.034 0.000 1.048 196 K CA 1.396 57.685 56.287 0.004 0.000 0.929 196 K CB -0.384 32.129 32.500 0.022 0.000 0.713 196 K HN 0.445 nan 8.250 nan 0.000 0.439 197 A N 0.615 123.444 122.820 0.016 0.000 1.908 197 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 197 A C 2.080 179.476 177.584 -0.314 0.000 1.181 197 A CA 1.500 53.556 52.037 0.032 0.000 0.627 197 A CB -0.764 18.404 19.000 0.281 0.000 0.818 197 A HN 0.423 nan 8.150 nan 0.000 0.445 198 F N 0.489 119.993 119.950 -0.743 0.000 2.146 198 F HA -0.097 4.430 4.527 0.000 0.000 0.298 198 F C 2.281 177.739 175.800 -0.569 0.000 1.096 198 F CA 1.805 59.074 58.000 -1.218 0.000 1.275 198 F CB -0.383 38.138 39.000 -0.798 0.000 1.008 198 F HN 0.191 nan 8.300 nan 0.000 0.480 199 R N 0.369 120.563 120.500 -0.510 0.000 2.073 199 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 199 R C 1.905 177.976 176.300 -0.382 0.000 1.134 199 R CA 2.111 57.930 56.100 -0.468 0.000 0.952 199 R CB -0.599 29.583 30.300 -0.198 0.000 0.850 199 R HN 0.274 nan 8.270 nan 0.000 0.433 200 D N 0.217 120.463 120.400 -0.257 0.000 2.117 200 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 200 D C 1.733 177.924 176.300 -0.181 0.000 0.987 200 D CA 1.520 55.422 54.000 -0.164 0.000 0.829 200 D CB -0.318 40.434 40.800 -0.080 0.000 0.961 200 D HN 0.371 nan 8.370 nan 0.000 0.460 201 A N 1.083 123.768 122.820 -0.225 0.000 1.902 201 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 201 A C 2.318 179.767 177.584 -0.226 0.000 1.181 201 A CA 2.147 54.097 52.037 -0.143 0.000 0.623 201 A CB -0.660 18.337 19.000 -0.005 0.000 0.818 201 A HN 0.238 nan 8.150 nan 0.000 0.443 202 A N -0.336 122.220 122.820 -0.439 0.000 1.898 202 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 202 A C 2.018 179.430 177.584 -0.287 0.000 1.181 202 A CA 1.798 53.579 52.037 -0.425 0.000 0.620 202 A CB -0.513 18.042 19.000 -0.742 0.000 0.819 202 A HN 0.678 nan 8.150 nan 0.000 0.442 203 E N -0.004 120.033 120.200 -0.273 0.000 2.051 203 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 203 E C 1.770 178.248 176.600 -0.204 0.000 0.991 203 E CA 1.481 57.748 56.400 -0.222 0.000 0.799 203 E CB -0.183 29.432 29.700 -0.143 0.000 0.748 203 E HN 0.557 nan 8.360 nan 0.000 0.449 204 N N 0.672 119.287 118.700 -0.143 0.000 2.149 204 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 204 N C 1.525 176.974 175.510 -0.102 0.000 1.019 204 N CA 1.003 53.994 53.050 -0.099 0.000 0.857 204 N CB -0.101 38.349 38.487 -0.062 0.000 0.997 204 N HN 0.083 nan 8.380 nan 0.000 0.426 205 K N 0.074 120.406 120.400 -0.113 0.000 2.031 205 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 205 K C 1.487 178.025 176.600 -0.103 0.000 1.049 205 K CA 0.662 56.896 56.287 -0.088 0.000 0.939 205 K CB -0.176 32.279 32.500 -0.076 0.000 0.717 205 K HN 0.066 nan 8.250 nan 0.000 0.438 206 L N 0.925 122.052 121.223 -0.160 0.000 2.201 206 L HA -0.041 4.299 4.340 -0.000 0.000 0.212 206 L C 2.255 178.965 176.870 -0.267 0.000 1.105 206 L CA 1.374 56.102 54.840 -0.187 0.000 0.775 206 L CB -0.888 41.026 42.059 -0.241 0.000 0.913 206 L HN 0.124 nan 8.230 nan 0.000 0.440 207 A N -0.921 121.696 122.820 -0.338 0.000 2.014 207 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 207 A C 1.884 179.438 177.584 -0.051 0.000 1.163 207 A CA 1.321 53.196 52.037 -0.270 0.000 0.652 207 A CB -0.288 18.605 19.000 -0.179 0.000 0.808 207 A HN 0.385 nan 8.150 nan 0.000 0.449 208 M N -0.539 119.033 119.600 -0.047 0.000 2.383 208 M HA 0.202 4.682 4.480 -0.000 0.000 0.247 208 M C 0.693 176.989 176.300 -0.006 0.000 1.117 208 M CA 0.157 55.447 55.300 -0.016 0.000 0.995 208 M CB -0.787 31.800 32.600 -0.023 0.000 1.480 208 M HN 0.232 nan 8.290 nan 0.000 0.485 209 S N 1.881 117.592 115.700 0.019 0.000 2.505 209 S HA 0.176 4.646 4.470 -0.000 0.000 0.276 209 S C 1.283 175.906 174.600 0.038 0.000 1.274 209 S CA -0.279 57.951 58.200 0.050 0.000 1.053 209 S CB 0.930 64.182 63.200 0.087 0.000 0.919 209 S HN 0.177 nan 8.310 nan 0.000 0.490 210 K N 3.652 124.028 120.400 -0.041 0.000 2.007 210 K HA 0.067 4.387 4.320 -0.000 0.000 0.206 210 K C 0.987 177.490 176.600 -0.162 0.000 1.047 210 K CA 1.087 57.283 56.287 -0.151 0.000 0.937 210 K CB -0.133 32.311 32.500 -0.095 0.000 0.718 210 K HN 0.626 nan 8.250 nan 0.000 0.438 211 R N 0.160 120.668 120.500 0.013 0.000 2.673 211 R HA 0.269 4.609 4.340 -0.000 0.000 0.281 211 R C -1.313 175.055 176.300 0.113 0.000 0.991 211 R CA -0.173 55.996 56.100 0.115 0.000 0.896 211 R CB 1.993 32.312 30.300 0.032 0.000 1.201 211 R HN -0.118 nan 8.270 nan 0.000 0.457 212 T N 1.729 116.360 114.554 0.128 0.000 2.841 212 T HA 0.707 5.057 4.350 -0.000 0.000 0.283 212 T C -1.156 173.544 174.700 -0.000 0.000 1.000 212 T CA -0.557 61.571 62.100 0.048 0.000 0.977 212 T CB 1.713 70.603 68.868 0.037 0.000 0.979 212 T HN 0.659 nan 8.240 nan 0.000 0.446 213 A N 2.736 125.537 122.820 -0.032 0.000 2.380 213 A HA 0.875 5.195 4.320 -0.000 0.000 0.315 213 A C -1.202 176.327 177.584 -0.093 0.000 1.101 213 A CA -0.753 51.245 52.037 -0.066 0.000 0.771 213 A CB 1.213 20.163 19.000 -0.083 0.000 1.287 213 A HN 0.826 nan 8.150 nan 0.000 0.436 214 L N 2.137 123.286 121.223 -0.124 0.000 2.313 214 L HA 0.644 4.984 4.340 -0.000 0.000 0.283 214 L C -1.707 175.142 176.870 -0.036 0.000 1.013 214 L CA -0.913 53.838 54.840 -0.149 0.000 0.816 214 L CB 1.423 43.268 42.059 -0.356 0.000 1.236 214 L HN 0.707 nan 8.230 nan 0.000 0.419 215 L N 5.441 126.666 121.223 0.003 0.000 2.343 215 L HA 0.773 5.113 4.340 -0.000 0.000 0.278 215 L C -0.642 176.288 176.870 0.101 0.000 0.996 215 L CA -0.067 54.806 54.840 0.055 0.000 0.831 215 L CB 1.428 43.490 42.059 0.005 0.000 1.232 215 L HN 0.628 nan 8.230 nan 0.000 0.413 216 A N 3.519 126.440 122.820 0.167 0.000 2.380 216 A HA 0.833 5.153 4.320 -0.000 0.000 0.315 216 A C -1.235 176.393 177.584 0.073 0.000 1.101 216 A CA -0.457 51.639 52.037 0.100 0.000 0.771 216 A CB 1.447 20.497 19.000 0.083 0.000 1.287 216 A HN 0.697 nan 8.150 nan 0.000 0.436 217 D N -1.067 119.343 120.400 0.017 0.000 2.798 217 D HA 0.500 5.140 4.640 -0.000 0.000 0.308 217 D C 1.095 177.430 176.300 0.059 0.000 1.187 217 D CA -0.037 54.010 54.000 0.078 0.000 1.033 217 D CB 0.473 41.354 40.800 0.135 0.000 1.445 217 D HN 0.433 nan 8.370 nan 0.000 0.550 218 F N 0.519 120.443 119.950 -0.043 0.000 2.135 218 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 218 F C 1.441 177.215 175.800 -0.043 0.000 1.074 218 F CA 1.377 59.357 58.000 -0.034 0.000 1.262 218 F CB -1.199 37.788 39.000 -0.021 0.000 1.013 218 F HN 0.241 nan 8.300 nan 0.000 0.489 219 L N 0.520 121.169 121.223 -0.957 0.000 2.187 219 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 219 L C 2.791 179.515 176.870 -0.243 0.000 1.100 219 L CA 1.200 55.608 54.840 -0.720 0.000 0.765 219 L CB -0.679 40.882 42.059 -0.831 0.000 0.904 219 L HN 0.424 nan 8.230 nan 0.000 0.437 220 V N -1.222 118.582 119.914 -0.184 0.000 2.548 220 V HA -0.176 3.944 4.120 -0.000 0.000 0.249 220 V C 2.138 178.201 176.094 -0.052 0.000 1.055 220 V CA 1.214 63.460 62.300 -0.089 0.000 1.065 220 V CB -0.091 31.684 31.823 -0.081 0.000 0.681 220 V HN 0.331 nan 8.190 nan 0.000 0.462 221 L N -0.187 121.006 121.223 -0.051 0.000 2.027 221 L HA -0.043 4.297 4.340 -0.000 0.000 0.206 221 L C 3.098 179.954 176.870 -0.024 0.000 1.074 221 L CA 1.625 56.450 54.840 -0.025 0.000 0.745 221 L CB -0.674 41.402 42.059 0.027 0.000 0.898 221 L HN 0.241 nan 8.230 nan 0.000 0.433 222 R N -0.450 120.038 120.500 -0.021 0.000 2.120 222 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 222 R C 1.323 177.504 176.300 -0.198 0.000 1.123 222 R CA 1.164 57.223 56.100 -0.068 0.000 0.975 222 R CB -0.780 29.489 30.300 -0.052 0.000 0.866 222 R HN 0.473 nan 8.270 nan 0.000 0.446 223 H N -0.653 118.356 119.070 -0.102 0.000 2.519 223 H HA 0.238 4.794 4.556 0.000 0.000 0.289 223 H C 0.670 175.949 175.328 -0.082 0.000 1.040 223 H CA 0.424 56.417 56.048 -0.092 0.000 1.165 223 H CB 0.156 29.847 29.762 -0.119 0.000 1.462 223 H HN 0.401 nan 8.280 nan 0.000 0.555 224 G N 1.121 109.900 108.800 -0.035 0.000 2.356 224 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.296 224 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.296 224 G C 0.386 175.253 174.900 -0.055 0.000 1.022 224 G CA 0.465 45.525 45.100 -0.066 0.000 0.961 224 G HN 0.497 nan 8.290 nan 0.000 0.510 225 L N -1.075 120.128 121.223 -0.033 0.000 2.965 225 L HA 0.322 4.662 4.340 -0.000 0.000 0.254 225 L C 2.145 179.008 176.870 -0.011 0.000 1.220 225 L CA 0.123 54.958 54.840 -0.010 0.000 1.023 225 L CB 0.369 42.433 42.059 0.008 0.000 1.355 225 L HN 0.296 nan 8.230 nan 0.000 0.545 226 K N 0.259 120.621 120.400 -0.063 0.000 2.002 226 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 226 K C 1.819 178.466 176.600 0.079 0.000 1.048 226 K CA 1.737 57.990 56.287 -0.056 0.000 0.930 226 K CB -0.046 32.398 32.500 -0.094 0.000 0.714 226 K HN 0.469 nan 8.250 nan 0.000 0.438 227 H N -0.756 118.318 119.070 0.006 0.000 2.352 227 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 227 H C 2.055 177.419 175.328 0.060 0.000 1.097 227 H CA 0.663 56.729 56.048 0.031 0.000 1.311 227 H CB 0.011 29.788 29.762 0.025 0.000 1.377 227 H HN 0.398 nan 8.280 nan 0.000 0.504 228 A N 0.840 123.773 122.820 0.188 0.000 1.940 228 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 228 A C 2.232 179.958 177.584 0.236 0.000 1.176 228 A CA 1.368 53.497 52.037 0.153 0.000 0.631 228 A CB -0.496 18.562 19.000 0.096 0.000 0.814 228 A HN 0.194 nan 8.150 nan 0.000 0.446 229 L N -0.546 120.818 121.223 0.235 0.000 2.131 229 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 229 L C 2.739 179.833 176.870 0.373 0.000 1.087 229 L CA 1.694 56.736 54.840 0.336 0.000 0.767 229 L CB -0.568 41.562 42.059 0.120 0.000 0.917 229 L HN 0.442 nan 8.230 nan 0.000 0.441 230 Q N -0.551 119.407 119.800 0.263 0.000 2.050 230 Q HA -0.281 4.059 4.340 -0.000 0.000 0.202 230 Q C 2.214 178.333 176.000 0.199 0.000 0.980 230 Q CA 1.707 57.673 55.803 0.272 0.000 0.840 230 Q CB -0.249 28.600 28.738 0.184 0.000 0.898 230 Q HN 0.389 nan 8.270 nan 0.000 0.424 231 K N 0.130 120.637 120.400 0.178 0.000 2.063 231 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 231 K C 1.877 178.603 176.600 0.210 0.000 1.048 231 K CA 1.287 57.658 56.287 0.140 0.000 0.928 231 K CB -0.199 32.365 32.500 0.108 0.000 0.713 231 K HN 0.255 nan 8.250 nan 0.000 0.442 232 W N 1.266 122.589 121.300 0.040 0.000 2.329 232 W HA -0.240 4.420 4.660 -0.000 0.000 0.324 232 W C 1.896 178.402 176.519 -0.021 0.000 1.222 232 W CA 1.414 58.772 57.345 0.021 0.000 1.270 232 W CB -1.104 28.386 29.460 0.050 0.000 1.167 232 W HN -0.030 nan 8.180 nan 0.000 0.467 233 V N 1.889 121.833 119.914 0.050 0.000 2.568 233 V HA -0.281 3.839 4.120 -0.000 0.000 0.253 233 V C 2.577 178.578 176.094 -0.154 0.000 1.072 233 V CA 2.712 64.835 62.300 -0.295 0.000 1.084 233 V CB -0.710 30.679 31.823 -0.723 0.000 0.676 233 V HN 0.274 nan 8.190 nan 0.000 0.469 234 K N -0.452 119.936 120.400 -0.021 0.000 2.031 234 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 234 K C 2.085 178.698 176.600 0.022 0.000 1.049 234 K CA 1.806 58.091 56.287 -0.003 0.000 0.939 234 K CB -0.144 32.371 32.500 0.025 0.000 0.717 234 K HN 0.615 nan 8.250 nan 0.000 0.438 235 E N -0.215 120.025 120.200 0.067 0.000 2.107 235 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 235 E C -0.193 176.451 176.600 0.073 0.000 0.982 235 E CA 0.646 57.087 56.400 0.069 0.000 0.809 235 E CB 0.517 30.268 29.700 0.084 0.000 0.756 235 E HN -0.005 nan 8.360 nan 0.000 0.459 236 V N 3.162 123.143 119.914 0.111 0.000 2.266 236 V HA 0.204 4.324 4.120 -0.000 0.000 0.271 236 V C -2.484 173.610 176.094 0.000 0.000 1.032 236 V CA -1.734 60.620 62.300 0.089 0.000 0.806 236 V CB 0.874 32.822 31.823 0.209 0.000 1.052 236 V HN -0.011 nan 8.190 nan 0.000 0.449 237 P HA 0.326 nan 4.420 nan 0.000 0.267 237 P C -0.336 176.952 177.300 -0.021 0.000 1.205 237 P CA 0.277 63.358 63.100 -0.031 0.000 0.765 237 P CB 0.400 32.101 31.700 0.002 0.000 0.828 238 M N 0.589 120.171 119.600 -0.029 0.000 2.790 238 M HA 0.693 5.173 4.480 -0.000 0.000 0.272 238 M C -1.537 174.825 176.300 0.103 0.000 1.168 238 M CA -1.345 53.962 55.300 0.011 0.000 0.829 238 M CB 1.552 34.118 32.600 -0.057 0.000 1.675 238 M HN 0.157 nan 8.290 nan 0.000 0.505 239 A N 2.067 124.949 122.820 0.104 0.000 2.520 239 A HA 0.555 4.875 4.320 -0.000 0.000 0.245 239 A C -0.540 177.082 177.584 0.062 0.000 1.072 239 A CA 0.354 52.477 52.037 0.142 0.000 0.761 239 A CB -0.416 18.609 19.000 0.042 0.000 1.004 239 A HN 1.034 nan 8.150 nan 0.000 0.499 240 H N -0.512 118.455 119.070 -0.172 0.000 3.046 240 H HA 0.817 5.373 4.556 -0.000 0.000 0.363 240 H C -0.816 174.333 175.328 -0.298 0.000 1.203 240 H CA -0.335 55.542 56.048 -0.285 0.000 1.169 240 H CB 1.031 30.483 29.762 -0.516 0.000 1.851 240 H HN 1.101 nan 8.280 nan 0.000 0.546 241 A N 1.504 124.254 122.820 -0.117 0.000 2.529 241 A HA 0.801 5.121 4.320 -0.000 0.000 0.296 241 A C -0.664 177.097 177.584 0.295 0.000 1.205 241 A CA -0.204 51.790 52.037 -0.072 0.000 0.671 241 A CB 1.435 20.297 19.000 -0.230 0.000 1.301 241 A HN 1.231 nan 8.150 nan 0.000 0.450 242 T N -2.120 112.624 114.554 0.316 0.000 2.841 242 T HA 0.734 5.084 4.350 -0.000 0.000 0.296 242 T C -0.117 174.725 174.700 0.237 0.000 1.166 242 T CA -0.642 61.632 62.100 0.289 0.000 1.007 242 T CB 1.061 70.103 68.868 0.291 0.000 1.253 242 T HN 0.644 nan 8.240 nan 0.000 0.511 243 M N 0.985 120.704 119.600 0.197 0.000 2.527 243 M HA 0.439 4.919 4.480 -0.000 0.000 0.283 243 M C 1.671 178.040 176.300 0.115 0.000 1.188 243 M CA -1.058 54.344 55.300 0.169 0.000 0.941 243 M CB 0.894 33.591 32.600 0.161 0.000 1.498 243 M HN 0.612 nan 8.290 nan 0.000 0.510 244 L N 0.683 121.958 121.223 0.087 0.000 1.997 244 L HA -0.295 4.045 4.340 -0.000 0.000 0.216 244 L C 2.331 179.264 176.870 0.105 0.000 1.074 244 L CA 2.076 56.964 54.840 0.080 0.000 0.763 244 L CB -0.198 41.913 42.059 0.087 0.000 0.890 244 L HN 0.743 nan 8.230 nan 0.000 0.434 245 M N -1.132 118.507 119.600 0.066 0.000 2.108 245 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 245 M C 1.777 178.168 176.300 0.152 0.000 1.066 245 M CA 1.948 57.274 55.300 0.044 0.000 1.107 245 M CB -0.660 31.859 32.600 -0.135 0.000 1.356 245 M HN 0.394 nan 8.290 nan 0.000 0.406 246 G N -0.226 108.674 108.800 0.166 0.000 3.042 246 G HA2 0.000 3.960 3.960 -0.000 0.000 0.212 246 G HA3 0.000 3.960 3.960 -0.000 0.000 0.212 246 G C 0.376 175.338 174.900 0.103 0.000 1.166 246 G CA -0.340 44.850 45.100 0.150 0.000 0.767 246 G HN 0.283 nan 8.290 nan 0.000 0.546 247 K N 0.530 120.986 120.400 0.094 0.000 2.511 247 K HA 0.297 4.617 4.320 -0.000 0.000 0.280 247 K C 1.339 177.948 176.600 0.015 0.000 1.008 247 K CA 1.098 57.364 56.287 -0.034 0.000 1.050 247 K CB 0.009 32.293 32.500 -0.359 0.000 0.889 247 K HN 0.246 nan 8.250 nan 0.000 0.484 248 G N 3.383 112.167 108.800 -0.028 0.000 2.231 248 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.206 248 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.206 248 G C 0.623 175.510 174.900 -0.021 0.000 0.996 248 G CA 0.197 45.307 45.100 0.016 0.000 0.645 248 G HN 0.734 nan 8.290 nan 0.000 0.498 249 I N -2.145 118.366 120.570 -0.099 0.000 2.617 249 I HA 0.490 4.660 4.170 -0.000 0.000 0.256 249 I C 0.624 176.575 176.117 -0.276 0.000 1.167 249 I CA 0.342 61.494 61.300 -0.246 0.000 1.469 249 I CB -0.098 37.627 38.000 -0.457 0.000 1.098 249 I HN -0.039 nan 8.210 nan 0.000 0.436 250 F N 1.620 121.582 119.950 0.021 0.000 2.507 250 F HA 0.406 4.934 4.527 0.000 0.000 0.327 250 F C 0.106 175.823 175.800 -0.138 0.000 1.068 250 F CA -1.389 56.607 58.000 -0.006 0.000 0.965 250 F CB 0.656 39.713 39.000 0.095 0.000 1.192 250 F HN -0.142 nan 8.300 nan 0.000 0.476 251 D N 1.743 122.221 120.400 0.130 0.000 2.374 251 D HA 0.055 4.695 4.640 -0.000 0.000 0.240 251 D C 0.523 176.684 176.300 -0.231 0.000 1.229 251 D CA 0.191 54.161 54.000 -0.049 0.000 0.895 251 D CB 0.358 41.155 40.800 -0.006 0.000 1.046 251 D HN 0.610 nan 8.370 nan 0.000 0.498 252 E N 2.523 122.438 120.200 -0.476 0.000 2.516 252 E HA -0.053 4.297 4.350 -0.000 0.000 0.199 252 E C 1.075 177.438 176.600 -0.395 0.000 1.069 252 E CA 0.274 56.112 56.400 -0.937 0.000 0.876 252 E CB 0.333 29.341 29.700 -1.154 0.000 0.843 252 E HN 0.434 nan 8.360 nan 0.000 0.530 253 R N 0.360 120.734 120.500 -0.210 0.000 2.334 253 R HA 0.079 4.419 4.340 -0.000 0.000 0.216 253 R C 0.587 176.843 176.300 -0.073 0.000 0.905 253 R CA 0.036 56.071 56.100 -0.109 0.000 1.064 253 R CB 0.362 30.614 30.300 -0.080 0.000 1.046 253 R HN 0.073 nan 8.270 nan 0.000 0.508 254 Q N 0.624 120.385 119.800 -0.065 0.000 2.318 254 Q HA 0.337 4.677 4.340 -0.000 0.000 0.222 254 Q C -0.123 175.864 176.000 -0.021 0.000 1.003 254 Q CA -0.230 55.561 55.803 -0.020 0.000 0.936 254 Q CB 0.648 29.399 28.738 0.021 0.000 1.204 254 Q HN 0.113 nan 8.270 nan 0.000 0.524 255 A N -0.341 122.471 122.820 -0.014 0.000 2.440 255 A HA 0.484 4.804 4.320 -0.000 0.000 0.251 255 A C 1.021 178.605 177.584 0.001 0.000 1.089 255 A CA 0.725 52.736 52.037 -0.045 0.000 0.779 255 A CB -0.356 18.631 19.000 -0.023 0.000 1.022 255 A HN 0.903 nan 8.150 nan 0.000 0.492 256 G N 0.577 109.272 108.800 -0.174 0.000 2.195 256 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.224 256 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.224 256 G C -0.014 174.575 174.900 -0.517 0.000 0.990 256 G CA 0.236 45.261 45.100 -0.124 0.000 0.639 256 G HN 1.183 nan 8.290 nan 0.000 0.514 257 F N 1.673 121.156 119.950 -0.780 0.000 2.404 257 F HA 0.697 5.224 4.527 0.000 0.000 0.354 257 F C 0.748 176.153 175.800 -0.659 0.000 1.122 257 F CA -1.126 56.420 58.000 -0.756 0.000 1.080 257 F CB 0.890 39.543 39.000 -0.579 0.000 1.131 257 F HN 0.025 nan 8.300 nan 0.000 0.471 258 Y N 3.504 123.470 120.300 -0.556 0.000 2.481 258 Y HA 0.545 5.095 4.550 -0.000 0.000 0.247 258 Y C 0.992 176.733 175.900 -0.266 0.000 1.151 258 Y CA -0.085 57.853 58.100 -0.271 0.000 1.238 258 Y CB 0.312 38.640 38.460 -0.220 0.000 1.179 258 Y HN 0.741 nan 8.280 nan 0.000 0.524 259 G N -0.548 107.966 108.800 -0.477 0.000 2.353 259 G HA2 0.020 3.980 3.960 -0.000 0.000 0.424 259 G HA3 0.020 3.980 3.960 -0.000 0.000 0.424 259 G C -1.046 173.688 174.900 -0.277 0.000 1.320 259 G CA -1.135 43.890 45.100 -0.124 0.000 0.995 259 G HN -0.173 nan 8.290 nan 0.000 0.580 260 T N 0.714 115.287 114.554 0.032 0.000 2.869 260 T HA 0.461 4.811 4.350 -0.000 0.000 0.295 260 T C -0.374 174.369 174.700 0.070 0.000 0.987 260 T CA 0.232 62.378 62.100 0.076 0.000 1.109 260 T CB 1.024 69.944 68.868 0.087 0.000 0.932 260 T HN 0.636 nan 8.240 nan 0.000 0.518 261 Y N 2.941 123.231 120.300 -0.017 0.000 2.316 261 Y HA 0.398 4.948 4.550 -0.000 0.000 0.331 261 Y C 0.438 176.369 175.900 0.052 0.000 1.083 261 Y CA -0.785 57.321 58.100 0.009 0.000 1.206 261 Y CB 0.702 39.180 38.460 0.031 0.000 1.195 261 Y HN 0.623 nan 8.280 nan 0.000 0.497 262 S N 3.962 119.284 115.700 -0.629 0.000 2.612 262 S HA 0.531 5.001 4.470 -0.000 0.000 0.203 262 S C 0.286 174.568 174.600 -0.530 0.000 0.965 262 S CA -0.415 57.504 58.200 -0.469 0.000 1.157 262 S CB -0.243 62.850 63.200 -0.177 0.000 1.526 262 S HN 1.570 nan 8.310 nan 0.000 0.423 263 G N 2.953 111.191 108.800 -0.937 0.000 2.552 263 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.265 263 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.265 263 G C 1.034 175.805 174.900 -0.215 0.000 1.234 263 G CA 0.649 45.518 45.100 -0.385 0.000 0.944 263 G HN 1.706 nan 8.290 nan 0.000 0.568 264 S N -0.259 115.389 115.700 -0.087 0.000 2.469 264 S HA 0.229 4.699 4.470 -0.000 0.000 0.238 264 S C 2.415 176.971 174.600 -0.073 0.000 0.998 264 S CA 1.695 59.862 58.200 -0.054 0.000 0.957 264 S CB -0.272 62.907 63.200 -0.035 0.000 0.764 264 S HN 2.131 nan 8.310 nan 0.000 0.514 265 A N 1.099 123.855 122.820 -0.106 0.000 2.206 265 A HA 0.354 4.674 4.320 -0.000 0.000 0.211 265 A C 1.298 178.827 177.584 -0.092 0.000 1.158 265 A CA 0.106 52.084 52.037 -0.098 0.000 0.761 265 A CB -0.484 18.446 19.000 -0.116 0.000 0.801 265 A HN 0.483 nan 8.150 nan 0.000 0.473 266 S N 0.370 116.004 115.700 -0.110 0.000 2.608 266 S HA 0.351 4.821 4.470 -0.000 0.000 0.261 266 S C 0.842 175.422 174.600 -0.033 0.000 1.314 266 S CA 0.122 58.277 58.200 -0.074 0.000 0.992 266 S CB 0.592 63.755 63.200 -0.061 0.000 0.935 266 S HN 0.676 nan 8.310 nan 0.000 0.564 267 T N -1.033 113.511 114.554 -0.016 0.000 2.868 267 T HA 0.368 4.718 4.350 -0.000 0.000 0.292 267 T C 1.592 176.284 174.700 -0.013 0.000 1.028 267 T CA -0.325 61.769 62.100 -0.010 0.000 1.059 267 T CB 0.583 69.452 68.868 0.001 0.000 0.991 267 T HN 0.577 nan 8.240 nan 0.000 0.531 268 G N 0.493 109.282 108.800 -0.017 0.000 2.442 268 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.219 268 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.219 268 G C 1.745 176.612 174.900 -0.054 0.000 1.141 268 G CA 0.794 45.877 45.100 -0.029 0.000 0.763 268 G HN 1.103 nan 8.290 nan 0.000 0.554 269 A N 0.147 122.934 122.820 -0.054 0.000 1.858 269 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 269 A C 2.639 180.109 177.584 -0.189 0.000 1.190 269 A CA 2.024 53.993 52.037 -0.114 0.000 0.617 269 A CB -0.762 18.227 19.000 -0.018 0.000 0.827 269 A HN 0.277 nan 8.150 nan 0.000 0.443 270 V N 0.286 120.150 119.914 -0.083 0.000 2.261 270 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 270 V C 2.542 178.615 176.094 -0.035 0.000 1.047 270 V CA 2.419 64.680 62.300 -0.065 0.000 1.015 270 V CB -0.746 31.087 31.823 0.016 0.000 0.642 270 V HN 0.681 nan 8.190 nan 0.000 0.446 271 K N -0.449 119.964 120.400 0.022 0.000 2.074 271 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 271 K C 2.264 178.849 176.600 -0.026 0.000 1.048 271 K CA 1.766 58.090 56.287 0.063 0.000 0.926 271 K CB -0.099 32.425 32.500 0.041 0.000 0.713 271 K HN 0.359 nan 8.250 nan 0.000 0.444 272 E N 0.082 120.225 120.200 -0.094 0.000 2.046 272 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 272 E C 1.886 178.372 176.600 -0.190 0.000 0.982 272 E CA 1.113 57.435 56.400 -0.131 0.000 0.800 272 E CB -0.187 29.423 29.700 -0.150 0.000 0.756 272 E HN 0.403 nan 8.360 nan 0.000 0.449 273 A N 1.044 123.681 122.820 -0.304 0.000 1.940 273 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 273 A C 2.063 179.517 177.584 -0.218 0.000 1.176 273 A CA 1.275 53.091 52.037 -0.369 0.000 0.631 273 A CB -0.243 18.362 19.000 -0.658 0.000 0.814 273 A HN 0.161 nan 8.150 nan 0.000 0.446 274 I N -0.937 119.517 120.570 -0.193 0.000 2.594 274 I HA -0.018 4.152 4.170 -0.000 0.000 0.237 274 I C 2.139 178.156 176.117 -0.167 0.000 1.071 274 I CA 0.946 62.119 61.300 -0.212 0.000 1.427 274 I CB -1.807 35.969 38.000 -0.372 0.000 1.218 274 I HN 0.349 nan 8.210 nan 0.000 0.444 275 E N 0.931 121.059 120.200 -0.121 0.000 2.333 275 E HA -0.117 4.233 4.350 -0.000 0.000 0.198 275 E C 2.092 178.656 176.600 -0.059 0.000 1.007 275 E CA 0.913 57.276 56.400 -0.062 0.000 0.845 275 E CB -0.206 29.504 29.700 0.017 0.000 0.766 275 E HN 0.566 nan 8.360 nan 0.000 0.507 276 G N 0.968 109.723 108.800 -0.075 0.000 2.572 276 G HA2 0.050 4.010 3.960 -0.000 0.000 0.216 276 G HA3 0.050 4.010 3.960 -0.000 0.000 0.216 276 G C 0.586 175.448 174.900 -0.063 0.000 1.133 276 G CA 0.316 45.374 45.100 -0.070 0.000 0.791 276 G HN 0.270 nan 8.290 nan 0.000 0.538 277 A N 1.335 124.115 122.820 -0.067 0.000 2.425 277 A HA 0.382 4.702 4.320 -0.000 0.000 0.249 277 A C 1.295 178.858 177.584 -0.034 0.000 1.084 277 A CA 0.240 52.249 52.037 -0.045 0.000 0.781 277 A CB 0.447 19.420 19.000 -0.044 0.000 1.019 277 A HN 0.353 nan 8.150 nan 0.000 0.490 278 D N 0.732 121.119 120.400 -0.021 0.000 2.347 278 D HA -0.055 4.585 4.640 -0.000 0.000 0.215 278 D C 0.431 176.723 176.300 -0.013 0.000 0.976 278 D CA 1.292 55.280 54.000 -0.019 0.000 0.884 278 D CB -0.231 40.558 40.800 -0.018 0.000 0.915 278 D HN 0.562 nan 8.370 nan 0.000 0.526 279 T N -1.863 112.687 114.554 -0.007 0.000 3.109 279 T HA 0.437 4.787 4.350 -0.000 0.000 0.311 279 T C -1.035 173.662 174.700 -0.004 0.000 1.011 279 T CA -0.935 61.163 62.100 -0.003 0.000 1.026 279 T CB 1.886 70.756 68.868 0.004 0.000 1.047 279 T HN -0.033 nan 8.240 nan 0.000 0.448 280 V N 5.839 125.749 119.914 -0.006 0.000 2.487 280 V HA 0.674 4.794 4.120 -0.000 0.000 0.298 280 V C -0.901 175.206 176.094 0.022 0.000 1.028 280 V CA -1.194 61.099 62.300 -0.012 0.000 0.860 280 V CB 1.265 33.062 31.823 -0.043 0.000 0.991 280 V HN 0.994 nan 8.190 nan 0.000 0.427 281 L N 6.674 127.913 121.223 0.026 0.000 2.278 281 L HA 0.442 4.782 4.340 -0.000 0.000 0.287 281 L C -0.367 176.548 176.870 0.076 0.000 1.072 281 L CA -0.262 54.623 54.840 0.075 0.000 0.819 281 L CB 0.809 42.931 42.059 0.106 0.000 1.176 281 L HN 0.604 nan 8.230 nan 0.000 0.435 282 C N 4.323 123.688 119.300 0.109 0.000 2.223 282 C HA 0.465 4.925 4.460 -0.000 0.000 0.324 282 C C 0.469 175.511 174.990 0.088 0.000 1.196 282 C CA -0.811 58.278 59.018 0.118 0.000 1.628 282 C CB 0.183 28.044 27.740 0.202 0.000 2.229 282 C HN 0.491 nan 8.230 nan 0.000 0.486 283 V N 3.272 123.226 119.914 0.067 0.000 2.384 283 V HA 0.666 4.786 4.120 -0.000 0.000 0.287 283 V C 0.983 177.053 176.094 -0.040 0.000 1.020 283 V CA 0.521 62.849 62.300 0.047 0.000 0.850 283 V CB 1.024 32.918 31.823 0.119 0.000 0.987 283 V HN 1.149 nan 8.190 nan 0.000 0.436 284 G N 3.377 112.112 108.800 -0.108 0.000 2.283 284 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 284 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 284 G C 0.342 175.100 174.900 -0.237 0.000 1.029 284 G CA 0.734 45.691 45.100 -0.238 0.000 0.840 284 G HN 0.922 nan 8.290 nan 0.000 0.505 285 T N -1.127 113.329 114.554 -0.163 0.000 2.909 285 T HA 0.680 5.030 4.350 -0.000 0.000 0.289 285 T C 0.146 174.696 174.700 -0.250 0.000 1.005 285 T CA -0.363 61.592 62.100 -0.242 0.000 1.084 285 T CB 0.757 69.417 68.868 -0.346 0.000 0.975 285 T HN 0.408 nan 8.240 nan 0.000 0.509 286 R N 3.147 123.475 120.500 -0.287 0.000 2.569 286 R HA 0.360 4.700 4.340 -0.000 0.000 0.293 286 R C -1.438 174.730 176.300 -0.219 0.000 1.186 286 R CA -0.530 55.507 56.100 -0.106 0.000 0.956 286 R CB 0.265 30.695 30.300 0.216 0.000 1.196 286 R HN 0.580 nan 8.270 nan 0.000 0.444 287 F N 2.771 122.789 119.950 0.114 0.000 2.652 287 F HA 0.156 4.683 4.527 0.000 0.000 0.352 287 F C 1.198 177.111 175.800 0.188 0.000 1.259 287 F CA -0.255 57.771 58.000 0.042 0.000 1.249 287 F CB -0.109 38.787 39.000 -0.174 0.000 1.628 287 F HN 0.315 nan 8.300 nan 0.000 0.654 288 T N -2.860 111.834 114.554 0.233 0.000 2.788 288 T HA 0.073 4.423 4.350 -0.000 0.000 0.287 288 T C 1.340 176.052 174.700 0.020 0.000 1.007 288 T CA -0.485 61.745 62.100 0.215 0.000 1.005 288 T CB 1.095 70.014 68.868 0.086 0.000 1.012 288 T HN 0.477 nan 8.240 nan 0.000 0.530 289 D N 0.640 120.888 120.400 -0.253 0.000 2.117 289 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 289 D C 1.971 178.041 176.300 -0.383 0.000 0.987 289 D CA 2.026 55.550 54.000 -0.794 0.000 0.829 289 D CB -1.367 38.998 40.800 -0.726 0.000 0.961 289 D HN 0.741 nan 8.370 nan 0.000 0.460 290 T N -1.157 113.286 114.554 -0.184 0.000 2.867 290 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 290 T C 2.004 176.675 174.700 -0.049 0.000 1.057 290 T CA 0.469 62.506 62.100 -0.104 0.000 1.136 290 T CB -0.406 68.477 68.868 0.024 0.000 0.874 290 T HN 0.021 nan 8.240 nan 0.000 0.466 291 L N 2.241 123.449 121.223 -0.024 0.000 2.395 291 L HA 0.191 4.531 4.340 -0.000 0.000 0.218 291 L C 2.428 179.284 176.870 -0.024 0.000 1.130 291 L CA 1.418 56.265 54.840 0.012 0.000 0.826 291 L CB -0.556 41.525 42.059 0.036 0.000 0.941 291 L HN 0.620 nan 8.230 nan 0.000 0.451 292 T N -4.563 109.957 114.554 -0.056 0.000 3.132 292 T HA 0.528 4.878 4.350 -0.000 0.000 0.274 292 T C 0.850 175.496 174.700 -0.090 0.000 1.011 292 T CA 0.107 62.184 62.100 -0.039 0.000 0.899 292 T CB 0.146 69.088 68.868 0.123 0.000 1.089 292 T HN 0.190 nan 8.240 nan 0.000 0.543 293 A N 0.618 123.341 122.820 -0.160 0.000 2.667 293 A HA 0.254 4.574 4.320 -0.000 0.000 0.298 293 A C 1.489 178.970 177.584 -0.172 0.000 1.483 293 A CA 0.672 52.604 52.037 -0.175 0.000 0.738 293 A CB -2.253 16.662 19.000 -0.141 0.000 1.067 293 A HN 2.284 nan 8.150 nan 0.000 0.451 294 G N -1.459 107.165 108.800 -0.293 0.000 2.212 294 G HA2 0.048 4.008 3.960 -0.000 0.000 0.255 294 G HA3 0.048 4.008 3.960 -0.000 0.000 0.255 294 G C 0.387 175.191 174.900 -0.159 0.000 1.062 294 G CA 0.249 45.154 45.100 -0.325 0.000 0.815 294 G HN 2.070 nan 8.290 nan 0.000 0.497 295 F N -1.652 118.369 119.950 0.119 0.000 3.040 295 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 295 F C 1.641 177.506 175.800 0.109 0.000 0.948 295 F CA 1.774 59.909 58.000 0.224 0.000 1.022 295 F CB -2.547 36.547 39.000 0.157 0.000 1.023 295 F HN 0.857 nan 8.300 nan 0.000 0.742 296 T N -3.179 111.504 114.554 0.214 0.000 3.186 296 T HA 0.132 4.482 4.350 -0.000 0.000 0.257 296 T C 0.548 175.278 174.700 0.051 0.000 1.029 296 T CA 0.083 62.223 62.100 0.066 0.000 0.916 296 T CB -0.338 68.538 68.868 0.012 0.000 1.041 296 T HN 0.536 nan 8.240 nan 0.000 0.562 297 H N 0.925 120.007 119.070 0.020 0.000 2.683 297 H HA 0.338 4.894 4.556 0.000 0.000 0.339 297 H C -0.536 174.796 175.328 0.007 0.000 1.081 297 H CA -0.710 55.361 56.048 0.038 0.000 1.432 297 H CB 0.644 30.417 29.762 0.019 0.000 1.462 297 H HN 0.150 nan 8.280 nan 0.000 0.557 298 Q N 4.293 124.117 119.800 0.040 0.000 2.730 298 Q HA 0.376 4.716 4.340 -0.000 0.000 0.244 298 Q C -0.449 175.531 176.000 -0.033 0.000 1.176 298 Q CA -0.191 55.584 55.803 -0.047 0.000 1.024 298 Q CB 0.622 29.353 28.738 -0.011 0.000 1.215 298 Q HN 0.564 nan 8.270 nan 0.000 0.542 299 L N 1.199 122.374 121.223 -0.080 0.000 2.410 299 L HA 0.521 4.861 4.340 -0.000 0.000 0.270 299 L C 0.316 177.147 176.870 -0.065 0.000 0.983 299 L CA -0.765 54.042 54.840 -0.055 0.000 0.822 299 L CB 2.209 44.238 42.059 -0.051 0.000 1.285 299 L HN 0.249 nan 8.230 nan 0.000 0.409 300 T N -1.333 113.196 114.554 -0.041 0.000 2.952 300 T HA 0.479 4.829 4.350 -0.000 0.000 0.286 300 T C -2.207 172.486 174.700 -0.011 0.000 1.024 300 T CA -2.025 60.056 62.100 -0.032 0.000 1.029 300 T CB 2.199 71.049 68.868 -0.030 0.000 1.094 300 T HN 0.212 nan 8.240 nan 0.000 0.515 301 P HA -0.044 nan 4.420 nan 0.000 0.215 301 P C 1.716 179.010 177.300 -0.009 0.000 1.157 301 P CA 1.685 64.786 63.100 0.003 0.000 0.868 301 P CB -0.291 31.417 31.700 0.013 0.000 0.788 302 A N -0.024 122.790 122.820 -0.009 0.000 1.940 302 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 302 A C 2.253 179.830 177.584 -0.012 0.000 1.176 302 A CA 1.747 53.777 52.037 -0.011 0.000 0.631 302 A CB -1.453 17.541 19.000 -0.011 0.000 0.814 302 A HN 0.281 nan 8.150 nan 0.000 0.446 303 Q N 0.215 120.007 119.800 -0.013 0.000 2.482 303 Q HA -0.014 4.326 4.340 -0.000 0.000 0.209 303 Q C 0.214 176.211 176.000 -0.006 0.000 0.961 303 Q CA 1.040 56.836 55.803 -0.013 0.000 0.945 303 Q CB -0.144 28.583 28.738 -0.019 0.000 1.012 303 Q HN 0.670 nan 8.270 nan 0.000 0.515 304 T N -2.494 112.059 114.554 -0.001 0.000 2.916 304 T HA 0.667 5.017 4.350 -0.000 0.000 0.292 304 T C -0.389 174.316 174.700 0.008 0.000 1.064 304 T CA -0.873 61.236 62.100 0.015 0.000 1.011 304 T CB 1.681 70.572 68.868 0.038 0.000 1.152 304 T HN 0.147 nan 8.240 nan 0.000 0.510 305 I N 1.863 122.453 120.570 0.033 0.000 2.468 305 I HA 0.365 4.535 4.170 -0.000 0.000 0.284 305 I C -0.385 175.774 176.117 0.069 0.000 1.038 305 I CA -0.714 60.617 61.300 0.051 0.000 1.083 305 I CB 1.782 39.834 38.000 0.086 0.000 1.223 305 I HN 0.891 nan 8.210 nan 0.000 0.443 306 E N 6.657 126.859 120.200 0.004 0.000 2.227 306 E HA 0.700 5.050 4.350 -0.000 0.000 0.268 306 E C -1.212 175.396 176.600 0.013 0.000 0.907 306 E CA -0.877 55.542 56.400 0.033 0.000 0.786 306 E CB 2.900 32.638 29.700 0.064 0.000 1.191 306 E HN 0.294 nan 8.360 nan 0.000 0.411 307 V N 0.234 120.173 119.914 0.041 0.000 2.540 307 V HA 0.511 4.631 4.120 -0.000 0.000 0.302 307 V C -0.868 175.215 176.094 -0.018 0.000 1.035 307 V CA -0.632 61.663 62.300 -0.008 0.000 0.873 307 V CB 1.523 33.330 31.823 -0.026 0.000 0.992 307 V HN 0.706 nan 8.190 nan 0.000 0.428 308 Q N 4.026 123.822 119.800 -0.006 0.000 2.486 308 Q HA 0.563 4.903 4.340 -0.000 0.000 0.274 308 Q C -2.086 173.766 176.000 -0.247 0.000 1.076 308 Q CA -2.074 53.676 55.803 -0.089 0.000 0.872 308 Q CB 1.656 30.415 28.738 0.034 0.000 1.383 308 Q HN 0.470 nan 8.270 nan 0.000 0.478 309 P HA -0.161 nan 4.420 nan 0.000 0.216 309 P C 0.349 177.215 177.300 -0.722 0.000 1.154 309 P CA 1.789 64.435 63.100 -0.756 0.000 0.865 309 P CB 0.238 31.399 31.700 -0.898 0.000 0.789 310 H N -3.180 115.840 119.070 -0.083 0.000 2.916 310 H HA 0.673 5.229 4.556 -0.000 0.000 0.262 310 H C 0.225 175.548 175.328 -0.008 0.000 1.178 310 H CA -0.084 55.940 56.048 -0.041 0.000 1.090 310 H CB 0.748 30.501 29.762 -0.015 0.000 1.657 310 H HN 0.034 nan 8.280 nan 0.000 0.601 311 A N 0.702 123.569 122.820 0.078 0.000 2.589 311 A HA 0.770 5.090 4.320 -0.000 0.000 0.296 311 A C -1.221 176.486 177.584 0.205 0.000 1.062 311 A CA -0.116 52.025 52.037 0.173 0.000 0.686 311 A CB 1.445 20.587 19.000 0.236 0.000 1.282 311 A HN 0.230 nan 8.150 nan 0.000 0.404 312 A N 0.967 123.869 122.820 0.136 0.000 2.413 312 A HA 0.947 5.267 4.320 -0.000 0.000 0.307 312 A C -0.308 177.273 177.584 -0.004 0.000 1.087 312 A CA -0.643 51.344 52.037 -0.084 0.000 0.750 312 A CB 1.432 19.975 19.000 -0.762 0.000 1.296 312 A HN 1.144 nan 8.150 nan 0.000 0.423 313 R N 0.276 120.607 120.500 -0.283 0.000 2.686 313 R HA 0.670 5.010 4.340 -0.000 0.000 0.283 313 R C -1.850 174.402 176.300 -0.080 0.000 0.978 313 R CA -0.460 55.330 56.100 -0.517 0.000 0.897 313 R CB 2.105 31.349 30.300 -1.760 0.000 1.192 313 R HN 1.142 nan 8.270 nan 0.000 0.457 314 V N 1.993 121.944 119.914 0.062 0.000 2.482 314 V HA 0.766 4.886 4.120 -0.000 0.000 0.295 314 V C 0.431 176.528 176.094 0.005 0.000 1.026 314 V CA 0.491 62.839 62.300 0.081 0.000 0.856 314 V CB 0.661 32.577 31.823 0.153 0.000 1.001 314 V HN 1.132 nan 8.190 nan 0.000 0.424 315 G N 4.711 113.488 108.800 -0.038 0.000 2.565 315 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.295 315 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.295 315 G C 0.339 175.199 174.900 -0.068 0.000 1.165 315 G CA 0.836 45.916 45.100 -0.035 0.000 0.977 315 G HN 0.833 nan 8.290 nan 0.000 0.546 316 D N 0.397 120.772 120.400 -0.040 0.000 2.360 316 D HA 0.269 4.909 4.640 -0.000 0.000 0.210 316 D C 0.877 177.151 176.300 -0.045 0.000 1.047 316 D CA 0.571 54.557 54.000 -0.022 0.000 0.854 316 D CB 0.796 41.604 40.800 0.013 0.000 0.936 316 D HN 0.308 nan 8.370 nan 0.000 0.514 317 V N 1.343 121.192 119.914 -0.109 0.000 2.439 317 V HA 0.226 4.346 4.120 -0.000 0.000 0.282 317 V C -0.415 175.452 176.094 -0.378 0.000 1.039 317 V CA -0.727 61.449 62.300 -0.207 0.000 0.913 317 V CB 1.283 32.954 31.823 -0.253 0.000 0.983 317 V HN -0.012 nan 8.190 nan 0.000 0.460 318 W N 3.744 124.840 121.300 -0.339 0.000 2.496 318 W HA 0.674 5.334 4.660 -0.000 0.000 0.327 318 W C -0.653 175.565 176.519 -0.502 0.000 1.086 318 W CA -0.511 56.691 57.345 -0.240 0.000 1.222 318 W CB 1.450 30.853 29.460 -0.096 0.000 1.304 318 W HN 0.404 nan 8.180 nan 0.000 0.547 319 F N 2.228 122.350 119.950 0.285 0.000 2.434 319 F HA 0.277 4.804 4.527 -0.000 0.000 0.367 319 F C 0.683 176.568 175.800 0.142 0.000 1.093 319 F CA -1.122 56.980 58.000 0.169 0.000 1.085 319 F CB 0.462 39.534 39.000 0.121 0.000 1.322 319 F HN 0.074 nan 8.300 nan 0.000 0.452 320 T N -1.351 113.338 114.554 0.225 0.000 2.910 320 T HA 0.546 4.896 4.350 -0.000 0.000 0.293 320 T C 0.988 175.763 174.700 0.126 0.000 1.015 320 T CA 0.101 62.293 62.100 0.153 0.000 1.094 320 T CB 1.546 70.461 68.868 0.078 0.000 0.968 320 T HN 1.180 nan 8.240 nan 0.000 0.521 321 G N 1.709 110.570 108.800 0.102 0.000 2.130 321 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 321 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 321 G C -0.101 174.844 174.900 0.074 0.000 0.999 321 G CA -0.151 44.998 45.100 0.082 0.000 0.686 321 G HN 0.904 nan 8.290 nan 0.000 0.515 322 I N 0.996 121.600 120.570 0.056 0.000 2.389 322 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 322 I C -2.354 173.747 176.117 -0.026 0.000 0.999 322 I CA -2.514 58.779 61.300 -0.011 0.000 1.129 322 I CB 2.286 40.211 38.000 -0.125 0.000 1.288 322 I HN -0.174 nan 8.210 nan 0.000 0.444 323 P HA 0.134 nan 4.420 nan 0.000 0.271 323 P C 0.821 178.054 177.300 -0.112 0.000 1.216 323 P CA -0.180 62.901 63.100 -0.031 0.000 0.771 323 P CB 0.778 32.462 31.700 -0.026 0.000 0.864 324 M N 4.324 123.821 119.600 -0.172 0.000 2.103 324 M HA -0.313 4.167 4.480 -0.000 0.000 0.255 324 M C 1.733 177.956 176.300 -0.129 0.000 1.074 324 M CA 2.305 57.488 55.300 -0.196 0.000 1.090 324 M CB -0.441 31.967 32.600 -0.320 0.000 1.325 324 M HN 0.353 nan 8.290 nan 0.000 0.403 325 N N -0.300 118.337 118.700 -0.105 0.000 2.166 325 N HA -0.249 4.491 4.740 -0.000 0.000 0.186 325 N C 1.464 176.923 175.510 -0.086 0.000 1.019 325 N CA 1.956 54.960 53.050 -0.077 0.000 0.856 325 N CB -0.761 37.690 38.487 -0.059 0.000 0.993 325 N HN 0.646 nan 8.380 nan 0.000 0.426 326 Q N 0.005 119.748 119.800 -0.096 0.000 2.187 326 Q HA 0.160 4.500 4.340 -0.000 0.000 0.199 326 Q C 2.217 178.187 176.000 -0.050 0.000 0.957 326 Q CA 1.228 56.983 55.803 -0.080 0.000 0.857 326 Q CB -0.062 28.627 28.738 -0.080 0.000 0.929 326 Q HN 0.588 nan 8.270 nan 0.000 0.453 327 A N 0.814 123.588 122.820 -0.078 0.000 1.898 327 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 327 A C 1.962 179.567 177.584 0.035 0.000 1.181 327 A CA 0.982 52.995 52.037 -0.040 0.000 0.620 327 A CB -0.523 18.325 19.000 -0.253 0.000 0.819 327 A HN 0.293 nan 8.150 nan 0.000 0.442 328 I N -0.572 119.968 120.570 -0.052 0.000 2.226 328 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 328 I C 2.559 178.494 176.117 -0.302 0.000 1.100 328 I CA 1.765 62.984 61.300 -0.135 0.000 1.374 328 I CB -0.257 37.706 38.000 -0.062 0.000 1.057 328 I HN 0.405 nan 8.210 nan 0.000 0.413 329 E N 1.007 121.094 120.200 -0.189 0.000 2.085 329 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 329 E C 2.027 178.511 176.600 -0.192 0.000 0.994 329 E CA 2.094 58.377 56.400 -0.195 0.000 0.801 329 E CB -0.301 29.333 29.700 -0.110 0.000 0.743 329 E HN 0.322 nan 8.360 nan 0.000 0.453 330 T N 0.784 115.276 114.554 -0.103 0.000 2.777 330 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 330 T C 1.511 176.121 174.700 -0.150 0.000 1.040 330 T CA 1.066 63.121 62.100 -0.075 0.000 1.141 330 T CB -0.232 68.668 68.868 0.052 0.000 0.868 330 T HN 0.063 nan 8.240 nan 0.000 0.444 331 L N 1.091 122.211 121.223 -0.172 0.000 2.083 331 L HA -0.030 4.310 4.340 -0.000 0.000 0.209 331 L C 2.573 179.219 176.870 -0.374 0.000 1.083 331 L CA 1.186 55.901 54.840 -0.207 0.000 0.752 331 L CB -1.173 40.823 42.059 -0.105 0.000 0.899 331 L HN 0.148 nan 8.230 nan 0.000 0.433 332 V N -0.720 118.766 119.914 -0.713 0.000 2.343 332 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 332 V C 2.404 178.319 176.094 -0.297 0.000 1.051 332 V CA 1.544 63.381 62.300 -0.771 0.000 1.036 332 V CB -0.481 30.854 31.823 -0.813 0.000 0.654 332 V HN 0.470 nan 8.190 nan 0.000 0.451 333 E N 0.087 120.156 120.200 -0.219 0.000 2.051 333 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 333 E C 2.237 178.801 176.600 -0.059 0.000 0.991 333 E CA 1.310 57.640 56.400 -0.116 0.000 0.799 333 E CB -0.219 29.423 29.700 -0.097 0.000 0.748 333 E HN 0.499 nan 8.360 nan 0.000 0.449 334 L N 0.331 121.523 121.223 -0.051 0.000 2.131 334 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 334 L C 2.542 179.497 176.870 0.141 0.000 1.092 334 L CA 0.591 55.457 54.840 0.043 0.000 0.759 334 L CB -0.356 41.681 42.059 -0.038 0.000 0.903 334 L HN 0.321 nan 8.230 nan 0.000 0.435 335 C N -0.028 119.317 119.300 0.075 0.000 2.440 335 C HA -0.112 4.348 4.460 -0.000 0.000 0.278 335 C C 2.639 177.670 174.990 0.069 0.000 1.295 335 C CA 0.510 59.599 59.018 0.119 0.000 1.738 335 C CB -0.609 27.289 27.740 0.262 0.000 1.987 335 C HN 0.411 nan 8.230 nan 0.000 0.492 336 K N 0.356 120.772 120.400 0.027 0.000 2.442 336 K HA -0.123 4.197 4.320 -0.000 0.000 0.198 336 K C 1.844 178.412 176.600 -0.053 0.000 1.042 336 K CA 0.923 57.206 56.287 -0.007 0.000 0.958 336 K CB -0.129 32.357 32.500 -0.023 0.000 0.766 336 K HN 0.629 nan 8.250 nan 0.000 0.474 337 Q N -0.663 119.092 119.800 -0.075 0.000 2.396 337 Q HA 0.011 4.351 4.340 -0.000 0.000 0.209 337 Q C -0.335 175.328 176.000 -0.561 0.000 0.906 337 Q CA 0.503 56.139 55.803 -0.278 0.000 0.927 337 Q CB 0.563 29.121 28.738 -0.300 0.000 1.069 337 Q HN 0.378 nan 8.270 nan 0.000 0.523 338 H N -0.401 118.635 119.070 -0.056 0.000 2.448 338 H HA 0.213 4.769 4.556 -0.000 0.000 0.237 338 H C -0.878 174.318 175.328 -0.220 0.000 1.391 338 H CA -0.706 55.297 56.048 -0.074 0.000 1.477 338 H CB 0.451 30.177 29.762 -0.060 0.000 1.520 338 H HN -0.074 nan 8.280 nan 0.000 0.502 339 V N -0.631 119.257 119.914 -0.043 0.000 2.686 339 V HA 0.346 4.466 4.120 -0.000 0.000 0.295 339 V C 0.089 176.258 176.094 0.125 0.000 1.055 339 V CA -0.288 61.990 62.300 -0.037 0.000 1.050 339 V CB 0.634 32.464 31.823 0.010 0.000 0.984 339 V HN 0.682 nan 8.190 nan 0.000 0.482 340 H N 2.496 121.593 119.070 0.045 0.000 2.589 340 H HA 0.708 5.264 4.556 0.000 0.000 0.351 340 H C 0.487 175.830 175.328 0.026 0.000 1.074 340 H CA -0.424 55.644 56.048 0.034 0.000 1.203 340 H CB 1.945 31.727 29.762 0.033 0.000 1.558 340 H HN 1.119 nan 8.280 nan 0.000 0.522 357 D N -0.088 120.315 120.400 0.006 0.000 2.932 357 D HA 0.143 4.783 4.640 -0.000 0.000 0.294 357 D C 0.854 177.156 176.300 0.003 0.000 1.119 357 D CA 0.864 54.865 54.000 0.003 0.000 0.980 357 D CB -0.266 40.536 40.800 0.004 0.000 1.361 357 D HN 0.400 nan 8.370 nan 0.000 0.466 358 G N 0.854 109.658 108.800 0.006 0.000 2.630 358 G HA2 0.310 4.270 3.960 -0.000 0.000 0.223 358 G HA3 0.310 4.270 3.960 -0.000 0.000 0.223 358 G C -0.205 174.699 174.900 0.007 0.000 1.434 358 G CA 0.151 45.255 45.100 0.006 0.000 1.057 358 G HN 0.289 nan 8.290 nan 0.000 0.570 359 S N -1.067 114.637 115.700 0.007 0.000 2.643 359 S HA -0.045 4.425 4.470 -0.000 0.000 0.310 359 S C 0.600 175.205 174.600 0.008 0.000 1.253 359 S CA -0.318 57.885 58.200 0.006 0.000 1.047 359 S CB -0.529 62.674 63.200 0.005 0.000 0.767 359 S HN 0.355 nan 8.310 nan 0.000 0.498 360 L N 4.478 125.703 121.223 0.004 0.000 2.456 360 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 360 L C 0.852 177.726 176.870 0.006 0.000 1.189 360 L CA 0.073 54.917 54.840 0.008 0.000 0.846 360 L CB 0.623 42.676 42.059 -0.010 0.000 1.111 360 L HN 0.967 nan 8.230 nan 0.000 0.475 361 T N -1.817 112.756 114.554 0.031 0.000 2.843 361 T HA 0.201 4.551 4.350 -0.000 0.000 0.302 361 T C 0.346 175.098 174.700 0.088 0.000 1.232 361 T CA -0.933 61.192 62.100 0.042 0.000 1.009 361 T CB 1.656 70.557 68.868 0.056 0.000 1.254 361 T HN 0.450 nan 8.240 nan 0.000 0.504 362 Q N 0.468 120.338 119.800 0.116 0.000 2.112 362 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 362 Q C 1.890 178.118 176.000 0.379 0.000 0.987 362 Q CA 2.449 58.406 55.803 0.257 0.000 0.858 362 Q CB -0.382 28.553 28.738 0.328 0.000 0.905 362 Q HN 0.941 nan 8.270 nan 0.000 0.420 363 E N 2.085 122.438 120.200 0.254 0.000 2.013 363 E HA -0.235 4.115 4.350 -0.000 0.000 0.202 363 E C 1.438 178.151 176.600 0.187 0.000 1.018 363 E CA 2.125 58.656 56.400 0.218 0.000 0.834 363 E CB -0.348 29.431 29.700 0.132 0.000 0.770 363 E HN 0.517 nan 8.360 nan 0.000 0.459 364 N N -0.288 118.486 118.700 0.124 0.000 2.459 364 N HA -0.119 4.621 4.740 -0.000 0.000 0.181 364 N C 1.694 177.230 175.510 0.044 0.000 1.046 364 N CA 1.152 54.247 53.050 0.074 0.000 0.904 364 N CB -0.678 37.837 38.487 0.047 0.000 0.964 364 N HN 0.330 nan 8.380 nan 0.000 0.444 365 F N 0.289 120.180 119.950 -0.098 0.000 2.084 365 F HA 0.028 4.555 4.527 -0.000 0.000 0.296 365 F C 1.458 177.095 175.800 -0.272 0.000 1.111 365 F CA 1.159 58.998 58.000 -0.267 0.000 1.224 365 F CB -0.514 38.204 39.000 -0.470 0.000 0.991 365 F HN 0.009 nan 8.300 nan 0.000 0.471 366 W N 0.374 121.621 121.300 -0.087 0.000 2.425 366 W HA -0.050 4.610 4.660 -0.000 0.000 0.277 366 W C 2.630 179.059 176.519 -0.149 0.000 1.231 366 W CA 0.967 58.209 57.345 -0.172 0.000 1.248 366 W CB -0.406 29.089 29.460 0.059 0.000 1.117 366 W HN -0.062 nan 8.180 nan 0.000 0.568 367 R N 0.069 120.620 120.500 0.085 0.000 2.090 367 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 367 R C 2.048 178.329 176.300 -0.032 0.000 1.110 367 R CA 1.995 58.123 56.100 0.047 0.000 0.973 367 R CB -0.615 29.715 30.300 0.050 0.000 0.869 367 R HN -0.046 nan 8.270 nan 0.000 0.440 368 T N 0.953 115.431 114.554 -0.125 0.000 2.777 368 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 368 T C 1.500 176.098 174.700 -0.170 0.000 1.040 368 T CA 1.049 63.056 62.100 -0.155 0.000 1.141 368 T CB -0.230 68.508 68.868 -0.216 0.000 0.868 368 T HN 0.084 nan 8.240 nan 0.000 0.444 369 L N 1.489 122.519 121.223 -0.322 0.000 2.127 369 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 369 L C 2.549 179.439 176.870 0.033 0.000 1.089 369 L CA 1.690 56.406 54.840 -0.207 0.000 0.757 369 L CB -0.795 41.031 42.059 -0.388 0.000 0.899 369 L HN 0.159 nan 8.230 nan 0.000 0.434 370 Q N -0.607 119.211 119.800 0.029 0.000 2.112 370 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 370 Q C 2.130 178.157 176.000 0.046 0.000 0.987 370 Q CA 2.579 58.417 55.803 0.058 0.000 0.858 370 Q CB -0.591 28.179 28.738 0.053 0.000 0.905 370 Q HN 0.640 nan 8.270 nan 0.000 0.420 371 T N -2.530 112.050 114.554 0.043 0.000 3.118 371 T HA -0.028 4.322 4.350 -0.000 0.000 0.260 371 T C 1.335 176.083 174.700 0.081 0.000 1.139 371 T CA 0.550 62.675 62.100 0.041 0.000 1.085 371 T CB -0.361 68.525 68.868 0.029 0.000 0.934 371 T HN 0.303 nan 8.240 nan 0.000 0.518 372 F N 2.765 122.676 119.950 -0.065 0.000 2.374 372 F HA 0.403 4.929 4.527 -0.000 0.000 0.291 372 F C 0.783 176.555 175.800 -0.048 0.000 1.084 372 F CA -1.557 56.402 58.000 -0.069 0.000 1.413 372 F CB -0.042 38.901 39.000 -0.094 0.000 1.099 372 F HN 0.260 nan 8.300 nan 0.000 0.534 373 I N 0.991 121.485 120.570 -0.128 0.000 2.752 373 I HA 0.227 4.397 4.170 -0.000 0.000 0.287 373 I C -0.105 175.884 176.117 -0.214 0.000 1.188 373 I CA -0.195 60.985 61.300 -0.200 0.000 1.427 373 I CB 0.537 38.525 38.000 -0.019 0.000 1.365 373 I HN 0.129 nan 8.210 nan 0.000 0.585 374 R N 5.220 125.583 120.500 -0.228 0.000 2.837 374 R HA 0.596 4.936 4.340 -0.000 0.000 0.271 374 R C -2.731 173.508 176.300 -0.103 0.000 0.993 374 R CA -1.763 54.238 56.100 -0.166 0.000 0.931 374 R CB 1.977 32.151 30.300 -0.210 0.000 1.206 374 R HN 0.423 nan 8.270 nan 0.000 0.474 375 P HA 0.044 nan 4.420 nan 0.000 0.266 375 P C 0.079 177.356 177.300 -0.038 0.000 1.193 375 P CA 1.388 64.462 63.100 -0.044 0.000 0.770 375 P CB 0.624 32.304 31.700 -0.034 0.000 0.836 376 G N 0.956 109.743 108.800 -0.022 0.000 2.176 376 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.253 376 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.253 376 G C 0.044 174.926 174.900 -0.030 0.000 0.979 376 G CA -0.150 44.939 45.100 -0.018 0.000 0.641 376 G HN 0.499 nan 8.290 nan 0.000 0.530 377 D N 0.000 120.378 120.400 -0.037 0.000 2.362 377 D HA 0.527 5.167 4.640 -0.000 0.000 0.242 377 D C 0.802 177.092 176.300 -0.017 0.000 1.132 377 D CA 0.203 54.177 54.000 -0.043 0.000 0.907 377 D CB 0.834 41.603 40.800 -0.052 0.000 1.195 377 D HN 0.273 nan 8.370 nan 0.000 0.429 378 I N 2.478 123.030 120.570 -0.029 0.000 2.437 378 I HA 0.276 4.446 4.170 -0.000 0.000 0.279 378 I C -0.378 175.721 176.117 -0.031 0.000 1.028 378 I CA -0.436 60.847 61.300 -0.028 0.000 1.142 378 I CB 0.872 38.840 38.000 -0.053 0.000 1.266 378 I HN 0.048 nan 8.210 nan 0.000 0.461 379 I N 7.087 127.641 120.570 -0.027 0.000 2.354 379 I HA 0.400 4.570 4.170 -0.000 0.000 0.292 379 I C -0.822 175.143 176.117 -0.254 0.000 0.989 379 I CA -0.697 60.565 61.300 -0.065 0.000 1.188 379 I CB 1.501 39.534 38.000 0.055 0.000 1.342 379 I HN 0.298 nan 8.210 nan 0.000 0.457 380 L N 6.427 127.533 121.223 -0.195 0.000 2.362 380 L HA 0.821 5.161 4.340 -0.000 0.000 0.275 380 L C -0.164 176.593 176.870 -0.188 0.000 0.998 380 L CA -0.326 54.371 54.840 -0.238 0.000 0.820 380 L CB 1.880 43.850 42.059 -0.149 0.000 1.270 380 L HN 0.666 nan 8.230 nan 0.000 0.415 381 A N 1.456 124.135 122.820 -0.236 0.000 2.359 381 A HA 0.623 4.943 4.320 -0.000 0.000 0.303 381 A C -1.012 176.509 177.584 -0.106 0.000 1.066 381 A CA -0.585 51.381 52.037 -0.119 0.000 0.730 381 A CB 1.063 20.007 19.000 -0.093 0.000 1.211 381 A HN 0.622 nan 8.150 nan 0.000 0.439 382 D N 0.619 120.982 120.400 -0.061 0.000 2.411 382 D HA 0.296 4.936 4.640 -0.000 0.000 0.251 382 D C 0.018 176.250 176.300 -0.114 0.000 1.201 382 D CA 0.075 54.037 54.000 -0.064 0.000 0.996 382 D CB 0.895 41.672 40.800 -0.039 0.000 1.101 382 D HN 0.510 nan 8.370 nan 0.000 0.504 383 Q N -0.373 119.359 119.800 -0.112 0.000 2.361 383 Q HA 0.417 4.757 4.340 -0.000 0.000 0.276 383 Q C 0.352 176.330 176.000 -0.038 0.000 1.022 383 Q CA 1.059 56.790 55.803 -0.120 0.000 0.898 383 Q CB 0.492 29.186 28.738 -0.073 0.000 1.246 383 Q HN 0.672 nan 8.270 nan 0.000 0.410 384 G N 0.683 109.508 108.800 0.041 0.000 2.337 384 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.197 384 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.197 384 G C 0.578 175.596 174.900 0.198 0.000 1.238 384 G CA 0.098 45.293 45.100 0.157 0.000 1.119 384 G HN 0.766 nan 8.290 nan 0.000 0.514 385 T N -1.284 113.383 114.554 0.189 0.000 2.803 385 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 385 T C 2.402 177.279 174.700 0.295 0.000 1.052 385 T CA 2.753 64.998 62.100 0.242 0.000 1.136 385 T CB -0.505 68.496 68.868 0.222 0.000 0.864 385 T HN 0.885 nan 8.240 nan 0.000 0.467 386 S N 2.156 117.997 115.700 0.234 0.000 2.354 386 S HA 0.005 4.475 4.470 -0.000 0.000 0.219 386 S C 2.690 177.350 174.600 0.101 0.000 1.035 386 S CA 1.257 59.656 58.200 0.331 0.000 1.037 386 S CB -1.051 62.242 63.200 0.156 0.000 0.956 386 S HN 0.792 nan 8.310 nan 0.000 0.428 387 A N 0.915 123.640 122.820 -0.159 0.000 1.877 387 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 387 A C 1.669 178.956 177.584 -0.496 0.000 1.186 387 A CA 1.431 53.233 52.037 -0.392 0.000 0.620 387 A CB -0.823 17.761 19.000 -0.694 0.000 0.822 387 A HN 0.485 nan 8.150 nan 0.000 0.443 388 F N -0.021 119.888 119.950 -0.068 0.000 2.811 388 F HA 0.222 4.749 4.527 0.000 0.000 0.301 388 F C 2.123 177.749 175.800 -0.289 0.000 1.151 388 F CA 0.226 58.148 58.000 -0.129 0.000 1.412 388 F CB -0.411 38.543 39.000 -0.077 0.000 1.113 388 F HN 0.258 nan 8.300 nan 0.000 0.579 389 G N -0.689 107.829 108.800 -0.470 0.000 2.641 389 G HA2 0.135 4.095 3.960 -0.000 0.000 0.207 389 G HA3 0.135 4.095 3.960 -0.000 0.000 0.207 389 G C 1.787 175.734 174.900 -1.590 0.000 1.137 389 G CA 0.529 44.840 45.100 -1.316 0.000 0.824 389 G HN 0.283 nan 8.290 nan 0.000 0.547 390 A N 0.774 122.879 122.820 -1.191 0.000 2.121 390 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 390 A C 2.177 179.659 177.584 -0.170 0.000 1.154 390 A CA 0.923 52.714 52.037 -0.410 0.000 0.679 390 A CB -0.363 18.739 19.000 0.171 0.000 0.795 390 A HN 0.415 nan 8.150 nan 0.000 0.458 391 I N -0.607 119.842 120.570 -0.202 0.000 2.567 391 I HA -0.208 3.962 4.170 -0.000 0.000 0.257 391 I C 0.764 176.792 176.117 -0.148 0.000 1.184 391 I CA 1.599 62.812 61.300 -0.144 0.000 1.451 391 I CB -0.065 37.905 38.000 -0.050 0.000 1.089 391 I HN 0.228 nan 8.210 nan 0.000 0.441 392 D N 0.767 121.064 120.400 -0.172 0.000 2.349 392 D HA 0.137 4.777 4.640 -0.000 0.000 0.215 392 D C 0.758 177.029 176.300 -0.050 0.000 1.016 392 D CA 0.152 54.096 54.000 -0.093 0.000 0.870 392 D CB 0.131 40.873 40.800 -0.096 0.000 0.917 392 D HN 0.304 nan 8.370 nan 0.000 0.524 393 L N 1.294 122.479 121.223 -0.063 0.000 2.499 393 L HA 0.067 4.407 4.340 -0.000 0.000 0.273 393 L C 1.080 177.924 176.870 -0.044 0.000 1.195 393 L CA 0.190 55.030 54.840 -0.001 0.000 0.882 393 L CB 0.609 42.706 42.059 0.063 0.000 1.133 393 L HN -0.308 nan 8.230 nan 0.000 0.483 394 R N 4.613 125.100 120.500 -0.021 0.000 2.296 394 R HA 0.350 4.690 4.340 -0.000 0.000 0.327 394 R C -0.723 175.522 176.300 -0.091 0.000 1.137 394 R CA -0.540 55.527 56.100 -0.056 0.000 1.020 394 R CB 0.224 30.509 30.300 -0.024 0.000 1.110 394 R HN 0.550 nan 8.270 nan 0.000 0.499 395 L N 6.503 127.637 121.223 -0.148 0.000 2.416 395 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 395 L C -1.841 174.951 176.870 -0.129 0.000 1.161 395 L CA -1.850 52.918 54.840 -0.119 0.000 0.845 395 L CB 0.492 42.472 42.059 -0.132 0.000 1.119 395 L HN 0.335 nan 8.230 nan 0.000 0.464 396 P HA 0.070 nan 4.420 nan 0.000 0.288 396 P C -0.608 176.660 177.300 -0.053 0.000 1.291 396 P CA -0.264 62.798 63.100 -0.064 0.000 0.766 396 P CB 0.473 32.142 31.700 -0.052 0.000 1.242 397 A N -0.330 122.469 122.820 -0.035 0.000 2.272 397 A HA 0.274 4.594 4.320 -0.000 0.000 0.275 397 A C 0.051 177.632 177.584 -0.004 0.000 1.096 397 A CA -0.214 51.814 52.037 -0.014 0.000 0.822 397 A CB -0.734 18.261 19.000 -0.008 0.000 1.088 397 A HN 0.695 nan 8.150 nan 0.000 0.495 398 D N -1.350 119.060 120.400 0.016 0.000 2.686 398 D HA -0.146 4.494 4.640 -0.000 0.000 0.235 398 D C -0.324 175.986 176.300 0.016 0.000 1.160 398 D CA 1.393 55.408 54.000 0.025 0.000 0.645 398 D CB -1.261 39.551 40.800 0.022 0.000 1.039 398 D HN 0.785 nan 8.370 nan 0.000 0.423 399 V N 0.240 120.166 119.914 0.022 0.000 2.495 399 V HA 0.358 4.478 4.120 -0.000 0.000 0.298 399 V C -0.235 175.897 176.094 0.063 0.000 1.031 399 V CA -0.982 61.339 62.300 0.034 0.000 0.871 399 V CB 2.013 33.859 31.823 0.038 0.000 0.988 399 V HN 0.207 nan 8.190 nan 0.000 0.432 400 N N 5.275 124.009 118.700 0.057 0.000 2.437 400 N HA 0.333 5.073 4.740 -0.000 0.000 0.243 400 N C -1.359 174.216 175.510 0.109 0.000 1.041 400 N CA -0.580 52.509 53.050 0.066 0.000 0.940 400 N CB 0.532 39.028 38.487 0.015 0.000 1.133 400 N HN 0.703 nan 8.380 nan 0.000 0.506 401 F N 6.051 126.000 119.950 -0.001 0.000 2.371 401 F HA 0.441 4.968 4.527 0.000 0.000 0.363 401 F C -0.559 175.251 175.800 0.016 0.000 1.122 401 F CA -0.670 57.335 58.000 0.008 0.000 1.129 401 F CB 0.422 39.427 39.000 0.008 0.000 1.173 401 F HN 0.356 nan 8.300 nan 0.000 0.489 402 I N 7.713 128.083 120.570 -0.333 0.000 2.328 402 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 402 I C -0.804 175.148 176.117 -0.276 0.000 1.012 402 I CA -0.772 60.416 61.300 -0.186 0.000 1.195 402 I CB 1.372 39.326 38.000 -0.076 0.000 1.350 402 I HN 0.339 nan 8.210 nan 0.000 0.464 403 V N 6.467 126.295 119.914 -0.143 0.000 3.078 403 V HA 0.426 4.546 4.120 -0.000 0.000 0.311 403 V C -1.019 175.001 176.094 -0.122 0.000 1.138 403 V CA -0.269 61.951 62.300 -0.134 0.000 1.007 403 V CB 2.500 34.274 31.823 -0.082 0.000 1.045 403 V HN 0.825 nan 8.190 nan 0.000 0.432 404 Q N 4.170 123.858 119.800 -0.188 0.000 3.122 404 Q HA 0.410 4.750 4.340 -0.000 0.000 0.282 404 Q C -2.300 173.592 176.000 -0.179 0.000 0.947 404 Q CA -1.527 54.119 55.803 -0.261 0.000 0.812 404 Q CB 1.764 30.180 28.738 -0.537 0.000 1.333 404 Q HN 0.612 nan 8.270 nan 0.000 0.430 405 P HA -0.121 nan 4.420 nan 0.000 0.219 405 P C 1.032 178.301 177.300 -0.052 0.000 1.150 405 P CA 0.438 63.491 63.100 -0.078 0.000 0.814 405 P CB 0.335 32.007 31.700 -0.048 0.000 0.787 406 L N -1.324 119.854 121.223 -0.076 0.000 2.034 406 L HA 0.024 4.364 4.340 -0.000 0.000 0.203 406 L C 2.169 179.099 176.870 0.101 0.000 1.074 406 L CA 1.688 56.526 54.840 -0.004 0.000 0.748 406 L CB -1.621 40.412 42.059 -0.042 0.000 0.905 406 L HN 0.042 nan 8.230 nan 0.000 0.439 407 W N 0.792 122.021 121.300 -0.118 0.000 2.407 407 W HA 0.003 4.663 4.660 0.000 0.000 0.305 407 W C 1.222 177.688 176.519 -0.088 0.000 1.196 407 W CA 1.127 58.420 57.345 -0.086 0.000 1.311 407 W CB -0.078 29.316 29.460 -0.109 0.000 1.135 407 W HN 0.431 nan 8.180 nan 0.000 0.514 408 G N 1.763 110.490 108.800 -0.121 0.000 2.314 408 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.292 408 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.292 408 G C -0.171 174.556 174.900 -0.287 0.000 1.059 408 G CA 0.550 45.525 45.100 -0.208 0.000 0.982 408 G HN 0.303 nan 8.290 nan 0.000 0.505 409 S N -0.071 115.481 115.700 -0.248 0.000 2.430 409 S HA 0.599 5.069 4.470 -0.000 0.000 0.289 409 S C 1.022 175.577 174.600 -0.075 0.000 1.143 409 S CA -0.494 57.613 58.200 -0.155 0.000 1.067 409 S CB 0.062 63.311 63.200 0.080 0.000 0.964 409 S HN 1.147 nan 8.310 nan 0.000 0.485 410 I N 2.800 123.326 120.570 -0.072 0.000 2.634 410 I HA 0.633 4.803 4.170 -0.000 0.000 0.284 410 I C 1.205 177.322 176.117 0.000 0.000 1.124 410 I CA 0.459 61.731 61.300 -0.047 0.000 1.417 410 I CB 0.288 38.250 38.000 -0.063 0.000 1.396 410 I HN 0.825 nan 8.210 nan 0.000 0.571 411 G N 4.071 112.862 108.800 -0.016 0.000 2.259 411 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.217 411 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.217 411 G C 0.518 175.320 174.900 -0.164 0.000 1.001 411 G CA 0.473 45.581 45.100 0.014 0.000 0.627 411 G HN 0.934 nan 8.290 nan 0.000 0.501 412 Y N 2.673 122.626 120.300 -0.578 0.000 2.081 412 Y HA -0.184 4.366 4.550 -0.000 0.000 0.280 412 Y C 3.093 178.704 175.900 -0.482 0.000 1.163 412 Y CA 3.857 61.315 58.100 -1.069 0.000 1.135 412 Y CB -0.618 37.366 38.460 -0.794 0.000 0.970 412 Y HN 0.569 nan 8.280 nan 0.000 0.498 413 T N -1.056 113.303 114.554 -0.325 0.000 2.759 413 T HA -0.244 4.106 4.350 -0.000 0.000 0.269 413 T C 1.846 176.390 174.700 -0.260 0.000 1.042 413 T CA 1.513 63.419 62.100 -0.322 0.000 1.140 413 T CB -0.922 67.887 68.868 -0.098 0.000 0.864 413 T HN 0.351 nan 8.240 nan 0.000 0.455 414 L N 1.723 122.853 121.223 -0.154 0.000 2.017 414 L HA 0.273 4.613 4.340 -0.000 0.000 0.208 414 L C 2.875 179.710 176.870 -0.058 0.000 1.073 414 L CA 1.905 56.710 54.840 -0.059 0.000 0.745 414 L CB -1.343 40.727 42.059 0.018 0.000 0.894 414 L HN 0.389 nan 8.230 nan 0.000 0.432 415 A N -0.784 121.986 122.820 -0.083 0.000 1.929 415 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 415 A C 2.425 179.948 177.584 -0.102 0.000 1.176 415 A CA 1.403 53.435 52.037 -0.009 0.000 0.628 415 A CB -1.063 18.020 19.000 0.138 0.000 0.816 415 A HN 0.535 nan 8.150 nan 0.000 0.444 416 A N 0.110 122.694 122.820 -0.392 0.000 1.940 416 A HA 0.113 4.433 4.320 -0.000 0.000 0.219 416 A C 2.473 179.917 177.584 -0.234 0.000 1.176 416 A CA 2.096 53.848 52.037 -0.475 0.000 0.631 416 A CB -0.973 17.415 19.000 -1.021 0.000 0.814 416 A HN 1.042 nan 8.150 nan 0.000 0.446 417 A N -0.994 121.726 122.820 -0.166 0.000 1.908 417 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 417 A C 2.024 179.616 177.584 0.014 0.000 1.181 417 A CA 1.714 53.711 52.037 -0.068 0.000 0.627 417 A CB -0.757 18.224 19.000 -0.032 0.000 0.818 417 A HN 0.750 nan 8.150 nan 0.000 0.445 418 F N 1.340 121.233 119.950 -0.096 0.000 2.126 418 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 418 F C 2.256 178.039 175.800 -0.028 0.000 1.096 418 F CA 1.476 59.447 58.000 -0.048 0.000 1.255 418 F CB -0.845 38.130 39.000 -0.042 0.000 0.997 418 F HN 0.177 nan 8.300 nan 0.000 0.479 419 G N -0.399 108.282 108.800 -0.199 0.000 2.418 419 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 419 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 419 G C 1.839 176.686 174.900 -0.089 0.000 1.158 419 G CA 0.852 45.795 45.100 -0.262 0.000 0.771 419 G HN 0.638 nan 8.290 nan 0.000 0.545 420 A N -0.052 122.699 122.820 -0.114 0.000 1.877 420 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 420 A C 2.373 179.879 177.584 -0.129 0.000 1.186 420 A CA 1.862 53.829 52.037 -0.116 0.000 0.620 420 A CB -0.418 18.522 19.000 -0.101 0.000 0.822 420 A HN 0.300 nan 8.150 nan 0.000 0.443 421 Q N -0.527 119.202 119.800 -0.119 0.000 2.096 421 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 421 Q C 2.229 178.134 176.000 -0.158 0.000 0.982 421 Q CA 2.062 57.797 55.803 -0.114 0.000 0.850 421 Q CB -0.884 27.814 28.738 -0.067 0.000 0.901 421 Q HN 0.676 nan 8.270 nan 0.000 0.422 422 T N 0.997 115.410 114.554 -0.234 0.000 2.759 422 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 422 T C 1.737 176.297 174.700 -0.235 0.000 1.042 422 T CA 1.454 63.383 62.100 -0.285 0.000 1.140 422 T CB -0.154 68.507 68.868 -0.345 0.000 0.864 422 T HN 0.409 nan 8.240 nan 0.000 0.455 423 A N -0.091 122.603 122.820 -0.211 0.000 1.970 423 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 423 A C 1.410 178.872 177.584 -0.202 0.000 1.170 423 A CA 0.520 52.335 52.037 -0.371 0.000 0.645 423 A CB -0.128 18.429 19.000 -0.739 0.000 0.816 423 A HN 0.577 nan 8.150 nan 0.000 0.447 424 C N -0.266 118.945 119.300 -0.149 0.000 3.169 424 C HA 0.393 4.853 4.460 -0.000 0.000 0.232 424 C C -1.751 173.199 174.990 -0.067 0.000 1.316 424 C CA -0.886 58.076 59.018 -0.093 0.000 1.545 424 C CB 0.292 27.977 27.740 -0.092 0.000 1.785 424 C HN 0.365 nan 8.230 nan 0.000 0.454 425 P HA -0.108 nan 4.420 nan 0.000 0.218 425 P C 0.855 178.159 177.300 0.007 0.000 1.148 425 P CA 1.514 64.599 63.100 -0.025 0.000 0.822 425 P CB 0.109 31.808 31.700 -0.001 0.000 0.784 426 N N -0.640 118.071 118.700 0.018 0.000 2.320 426 N HA 0.111 4.851 4.740 -0.000 0.000 0.237 426 N C 0.147 175.680 175.510 0.038 0.000 1.129 426 N CA 0.160 53.244 53.050 0.057 0.000 0.854 426 N CB 0.377 38.899 38.487 0.058 0.000 1.083 426 N HN 0.227 nan 8.380 nan 0.000 0.504 427 R N 0.382 120.867 120.500 -0.025 0.000 2.670 427 R HA 0.353 4.693 4.340 -0.000 0.000 0.289 427 R C -0.084 176.108 176.300 -0.180 0.000 0.965 427 R CA -0.777 55.286 56.100 -0.063 0.000 0.899 427 R CB 2.373 32.639 30.300 -0.057 0.000 1.173 427 R HN -0.016 nan 8.270 nan 0.000 0.456 428 R N 2.095 122.458 120.500 -0.229 0.000 2.316 428 R HA 0.165 4.505 4.340 -0.000 0.000 0.314 428 R C -0.867 175.321 176.300 -0.186 0.000 1.069 428 R CA -0.108 55.764 56.100 -0.380 0.000 0.959 428 R CB 0.567 30.717 30.300 -0.250 0.000 0.987 428 R HN 0.282 nan 8.270 nan 0.000 0.446 429 V N 7.268 127.086 119.914 -0.159 0.000 2.350 429 V HA 0.283 4.403 4.120 -0.000 0.000 0.276 429 V C -0.202 175.891 176.094 -0.002 0.000 1.028 429 V CA -0.688 61.573 62.300 -0.066 0.000 0.860 429 V CB 1.330 33.120 31.823 -0.055 0.000 0.990 429 V HN 0.621 nan 8.190 nan 0.000 0.453 430 I N 5.869 126.453 120.570 0.023 0.000 2.330 430 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 430 I C -0.048 176.096 176.117 0.046 0.000 1.001 430 I CA -0.060 61.289 61.300 0.080 0.000 1.193 430 I CB 1.784 39.869 38.000 0.143 0.000 1.345 430 I HN 0.302 nan 8.210 nan 0.000 0.461 431 V N 7.700 127.643 119.914 0.048 0.000 2.328 431 V HA 0.387 4.507 4.120 -0.000 0.000 0.278 431 V C -0.008 176.107 176.094 0.034 0.000 1.021 431 V CA -0.615 61.697 62.300 0.020 0.000 0.838 431 V CB 0.975 32.807 31.823 0.016 0.000 0.999 431 V HN 0.413 nan 8.190 nan 0.000 0.447 432 L N 4.977 126.224 121.223 0.041 0.000 2.277 432 L HA 0.638 4.978 4.340 -0.000 0.000 0.284 432 L C 0.191 177.077 176.870 0.027 0.000 1.028 432 L CA 0.189 55.077 54.840 0.080 0.000 0.835 432 L CB 1.491 43.680 42.059 0.216 0.000 1.215 432 L HN 0.710 nan 8.230 nan 0.000 0.425 433 T N 1.741 116.278 114.554 -0.029 0.000 2.909 433 T HA 0.668 5.018 4.350 -0.000 0.000 0.299 433 T C 0.106 174.733 174.700 -0.122 0.000 1.073 433 T CA -0.357 61.707 62.100 -0.059 0.000 0.999 433 T CB 1.689 70.521 68.868 -0.059 0.000 1.098 433 T HN 0.600 nan 8.240 nan 0.000 0.477 434 G N 1.602 110.346 108.800 -0.094 0.000 2.599 434 G HA2 0.351 4.311 3.960 -0.000 0.000 0.264 434 G HA3 0.351 4.311 3.960 -0.000 0.000 0.264 434 G C 0.734 175.515 174.900 -0.198 0.000 1.200 434 G CA -0.106 44.919 45.100 -0.125 0.000 0.896 434 G HN 0.844 nan 8.290 nan 0.000 0.536 435 D N -0.472 119.780 120.400 -0.247 0.000 2.183 435 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 435 D C 2.153 178.454 176.300 0.002 0.000 0.969 435 D CA 1.227 55.052 54.000 -0.293 0.000 0.842 435 D CB -0.781 39.892 40.800 -0.212 0.000 0.957 435 D HN 0.462 nan 8.370 nan 0.000 0.484 436 G N 0.748 109.579 108.800 0.051 0.000 2.404 436 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.215 436 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.215 436 G C 1.803 176.794 174.900 0.151 0.000 1.174 436 G CA 1.496 46.717 45.100 0.202 0.000 0.780 436 G HN 0.492 nan 8.290 nan 0.000 0.537 437 A N 1.376 124.248 122.820 0.087 0.000 1.883 437 A HA 0.190 4.510 4.320 -0.000 0.000 0.217 437 A C 2.819 180.448 177.584 0.076 0.000 1.186 437 A CA 2.497 54.563 52.037 0.050 0.000 0.624 437 A CB -0.967 18.037 19.000 0.007 0.000 0.822 437 A HN 0.919 nan 8.150 nan 0.000 0.444 438 A N -0.732 122.141 122.820 0.088 0.000 2.076 438 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 438 A C 2.040 179.796 177.584 0.286 0.000 1.160 438 A CA 1.592 53.746 52.037 0.194 0.000 0.653 438 A CB -0.555 18.580 19.000 0.226 0.000 0.801 438 A HN 0.715 nan 8.150 nan 0.000 0.455 439 Q N -0.881 119.011 119.800 0.153 0.000 2.167 439 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 439 Q C 1.659 177.771 176.000 0.186 0.000 0.970 439 Q CA 1.129 56.934 55.803 0.003 0.000 0.855 439 Q CB -0.296 28.172 28.738 -0.450 0.000 0.911 439 Q HN 0.600 nan 8.270 nan 0.000 0.438 440 L N 0.075 121.387 121.223 0.149 0.000 2.201 440 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 440 L C 1.932 178.912 176.870 0.182 0.000 1.105 440 L CA 1.645 56.581 54.840 0.160 0.000 0.775 440 L CB -0.228 41.917 42.059 0.143 0.000 0.913 440 L HN 0.274 nan 8.230 nan 0.000 0.440 441 T N -5.225 109.443 114.554 0.190 0.000 3.337 441 T HA 0.177 4.527 4.350 -0.000 0.000 0.299 441 T C 1.370 176.162 174.700 0.153 0.000 0.998 441 T CA -0.309 61.894 62.100 0.172 0.000 0.948 441 T CB -0.326 68.658 68.868 0.195 0.000 1.170 441 T HN -0.056 nan 8.240 nan 0.000 0.508 442 I N 2.983 123.682 120.570 0.215 0.000 2.194 442 I HA -0.251 3.919 4.170 -0.000 0.000 0.246 442 I C 2.567 178.745 176.117 0.101 0.000 1.093 442 I CA 1.941 63.375 61.300 0.224 0.000 1.355 442 I CB -0.222 37.988 38.000 0.350 0.000 1.046 442 I HN 0.441 nan 8.210 nan 0.000 0.413 443 Q N -0.235 119.601 119.800 0.059 0.000 2.368 443 Q HA -0.258 4.082 4.340 -0.000 0.000 0.210 443 Q C 1.674 177.637 176.000 -0.061 0.000 0.982 443 Q CA 1.582 57.382 55.803 -0.006 0.000 0.884 443 Q CB -0.837 27.895 28.738 -0.009 0.000 0.933 443 Q HN 0.500 nan 8.270 nan 0.000 0.460 444 E N 0.736 120.896 120.200 -0.067 0.000 2.427 444 E HA -0.013 4.337 4.350 -0.000 0.000 0.196 444 E C 1.579 178.047 176.600 -0.220 0.000 1.028 444 E CA 0.054 56.331 56.400 -0.205 0.000 0.864 444 E CB -0.244 29.354 29.700 -0.170 0.000 0.813 444 E HN 0.345 nan 8.360 nan 0.000 0.514 445 L N -0.801 120.377 121.223 -0.074 0.000 2.201 445 L HA 0.063 4.403 4.340 -0.000 0.000 0.212 445 L C 1.898 178.734 176.870 -0.056 0.000 1.105 445 L CA 1.948 56.773 54.840 -0.025 0.000 0.775 445 L CB -0.649 41.442 42.059 0.054 0.000 0.913 445 L HN 0.165 nan 8.230 nan 0.000 0.440 446 G N -1.757 106.993 108.800 -0.083 0.000 2.448 446 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 446 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 446 G C 1.537 176.367 174.900 -0.116 0.000 1.135 446 G CA 0.759 45.813 45.100 -0.076 0.000 0.784 446 G HN 0.465 nan 8.290 nan 0.000 0.543 447 S N 0.366 115.910 115.700 -0.259 0.000 2.395 447 S HA 0.011 4.481 4.470 -0.000 0.000 0.225 447 S C 2.387 176.864 174.600 -0.205 0.000 1.027 447 S CA 0.888 58.860 58.200 -0.380 0.000 0.965 447 S CB -0.191 62.436 63.200 -0.955 0.000 0.812 447 S HN 0.348 nan 8.310 nan 0.000 0.482 448 M N 0.656 120.154 119.600 -0.170 0.000 2.108 448 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 448 M C 1.741 178.104 176.300 0.106 0.000 1.066 448 M CA 1.171 56.548 55.300 0.129 0.000 1.107 448 M CB -0.513 32.163 32.600 0.126 0.000 1.356 448 M HN 0.224 nan 8.290 nan 0.000 0.406 449 L N 0.184 121.437 121.223 0.049 0.000 1.994 449 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 449 L C 2.539 179.445 176.870 0.059 0.000 1.071 449 L CA 1.849 56.723 54.840 0.058 0.000 0.745 449 L CB -1.316 40.762 42.059 0.032 0.000 0.892 449 L HN 0.331 nan 8.230 nan 0.000 0.431 450 R N -0.158 120.366 120.500 0.039 0.000 2.119 450 R HA -0.197 4.143 4.340 -0.000 0.000 0.246 450 R C 1.016 177.362 176.300 0.078 0.000 1.146 450 R CA 1.961 58.091 56.100 0.050 0.000 0.962 450 R CB -0.181 30.141 30.300 0.037 0.000 0.863 450 R HN 0.370 nan 8.270 nan 0.000 0.442 451 D N 0.548 121.018 120.400 0.116 0.000 2.328 451 D HA 0.022 4.662 4.640 -0.000 0.000 0.226 451 D C -0.153 176.188 176.300 0.069 0.000 1.066 451 D CA 0.288 54.361 54.000 0.121 0.000 0.861 451 D CB 0.182 41.106 40.800 0.207 0.000 0.912 451 D HN 0.204 nan 8.370 nan 0.000 0.521 452 K N 0.863 121.302 120.400 0.064 0.000 3.148 452 K HA -0.225 4.095 4.320 -0.000 0.000 0.267 452 K C -0.123 176.398 176.600 -0.133 0.000 0.996 452 K CA 0.408 56.714 56.287 0.032 0.000 0.737 452 K CB -1.408 31.121 32.500 0.047 0.000 1.308 452 K HN 0.406 nan 8.250 nan 0.000 0.470 453 Q N 0.251 120.018 119.800 -0.055 0.000 2.312 453 Q HA 0.191 4.531 4.340 -0.000 0.000 0.236 453 Q C 0.243 176.208 176.000 -0.059 0.000 0.965 453 Q CA -0.393 55.331 55.803 -0.132 0.000 0.894 453 Q CB 0.645 29.409 28.738 0.043 0.000 1.225 453 Q HN 0.238 nan 8.270 nan 0.000 0.478 454 H N 0.686 119.835 119.070 0.131 0.000 2.429 454 H HA 0.273 4.829 4.556 0.000 0.000 0.237 454 H C -2.291 173.117 175.328 0.134 0.000 1.378 454 H CA -2.134 54.013 56.048 0.165 0.000 1.170 454 H CB -0.221 29.693 29.762 0.254 0.000 1.671 454 H HN 0.444 nan 8.280 nan 0.000 0.541 455 P HA 0.147 nan 4.420 nan 0.000 0.279 455 P C 0.263 177.659 177.300 0.159 0.000 1.252 455 P CA -0.767 62.406 63.100 0.121 0.000 0.811 455 P CB 1.930 33.684 31.700 0.091 0.000 1.035 456 I N 1.512 122.167 120.570 0.141 0.000 2.330 456 I HA 0.369 4.539 4.170 -0.000 0.000 0.286 456 I C -0.737 175.449 176.117 0.114 0.000 1.025 456 I CA -0.891 60.502 61.300 0.155 0.000 1.197 456 I CB -0.299 37.816 38.000 0.192 0.000 1.358 456 I HN 0.124 nan 8.210 nan 0.000 0.467 457 I N 7.621 128.256 120.570 0.107 0.000 2.315 457 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 457 I C -0.878 175.269 176.117 0.049 0.000 1.006 457 I CA -0.622 60.724 61.300 0.076 0.000 1.265 457 I CB 1.112 39.166 38.000 0.089 0.000 1.387 457 I HN 0.441 nan 8.210 nan 0.000 0.475 458 L N 7.684 128.916 121.223 0.015 0.000 2.319 458 L HA 0.404 4.744 4.340 -0.000 0.000 0.281 458 L C -0.297 176.501 176.870 -0.120 0.000 1.005 458 L CA -0.398 54.425 54.840 -0.029 0.000 0.828 458 L CB 1.606 43.675 42.059 0.018 0.000 1.227 458 L HN 0.262 nan 8.230 nan 0.000 0.415 459 V N 4.829 124.615 119.914 -0.213 0.000 2.364 459 V HA 0.284 4.404 4.120 -0.000 0.000 0.272 459 V C 0.356 176.189 176.094 -0.436 0.000 1.036 459 V CA -0.540 61.517 62.300 -0.406 0.000 0.880 459 V CB 1.313 32.707 31.823 -0.715 0.000 0.991 459 V HN 0.478 nan 8.190 nan 0.000 0.460 460 L N 5.011 125.990 121.223 -0.406 0.000 2.385 460 L HA 0.303 4.643 4.340 -0.000 0.000 0.285 460 L C 0.583 177.242 176.870 -0.351 0.000 1.125 460 L CA -0.094 54.500 54.840 -0.409 0.000 0.890 460 L CB -0.102 41.739 42.059 -0.364 0.000 1.251 460 L HN 0.582 nan 8.230 nan 0.000 0.445 461 N N 3.694 122.191 118.700 -0.338 0.000 2.439 461 N HA 0.029 4.769 4.740 -0.000 0.000 0.243 461 N C 0.111 175.533 175.510 -0.146 0.000 1.088 461 N CA -0.216 52.689 53.050 -0.242 0.000 0.940 461 N CB 0.465 38.839 38.487 -0.189 0.000 1.180 461 N HN 0.536 nan 8.380 nan 0.000 0.505 462 N N 1.823 120.454 118.700 -0.115 0.000 2.351 462 N HA 0.084 4.824 4.740 -0.000 0.000 0.254 462 N C -0.884 174.592 175.510 -0.058 0.000 1.241 462 N CA -0.368 52.636 53.050 -0.078 0.000 0.883 462 N CB -0.235 38.210 38.487 -0.070 0.000 1.202 462 N HN 0.425 nan 8.380 nan 0.000 0.512 463 E N -0.330 119.840 120.200 -0.050 0.000 2.252 463 E HA -0.142 4.208 4.350 -0.000 0.000 0.218 463 E C 0.312 176.848 176.600 -0.106 0.000 1.253 463 E CA 0.701 57.069 56.400 -0.053 0.000 0.705 463 E CB -1.688 27.988 29.700 -0.039 0.000 1.172 463 E HN 0.805 nan 8.360 nan 0.000 0.369 464 G N -0.365 108.352 108.800 -0.140 0.000 2.302 464 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.276 464 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.276 464 G C -1.492 173.346 174.900 -0.104 0.000 1.316 464 G CA -0.755 44.189 45.100 -0.260 0.000 0.988 464 G HN 0.110 nan 8.290 nan 0.000 0.479 465 Y N 1.920 122.217 120.300 -0.005 0.000 2.714 465 Y HA 0.404 4.954 4.550 -0.000 0.000 0.333 465 Y C 2.187 178.097 175.900 0.016 0.000 1.220 465 Y CA -0.150 57.955 58.100 0.009 0.000 1.513 465 Y CB 0.100 38.579 38.460 0.032 0.000 1.435 465 Y HN 0.771 nan 8.280 nan 0.000 0.489 466 T N -3.075 111.561 114.554 0.135 0.000 2.867 466 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 466 T C 1.730 176.487 174.700 0.096 0.000 1.057 466 T CA 1.543 63.695 62.100 0.087 0.000 1.136 466 T CB -0.692 68.207 68.868 0.051 0.000 0.874 466 T HN 0.364 nan 8.240 nan 0.000 0.466 467 V N 0.546 120.527 119.914 0.112 0.000 2.343 467 V HA -0.090 4.030 4.120 -0.000 0.000 0.247 467 V C 2.737 178.878 176.094 0.080 0.000 1.051 467 V CA 1.683 64.036 62.300 0.090 0.000 1.036 467 V CB -0.924 30.961 31.823 0.102 0.000 0.654 467 V HN 0.309 nan 8.190 nan 0.000 0.451 468 E N 0.898 121.165 120.200 0.113 0.000 2.072 468 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 468 E C 2.419 179.108 176.600 0.148 0.000 0.985 468 E CA 1.329 57.807 56.400 0.130 0.000 0.801 468 E CB -0.384 29.427 29.700 0.185 0.000 0.750 468 E HN 0.643 nan 8.360 nan 0.000 0.452 469 R N 0.567 121.145 120.500 0.130 0.000 2.096 469 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 469 R C 2.288 178.617 176.300 0.049 0.000 1.127 469 R CA 1.226 57.371 56.100 0.075 0.000 0.968 469 R CB -0.345 29.979 30.300 0.039 0.000 0.861 469 R HN 0.102 nan 8.270 nan 0.000 0.440 470 A N 0.884 123.733 122.820 0.048 0.000 2.015 470 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 470 A C 2.057 179.660 177.584 0.031 0.000 1.163 470 A CA 1.033 53.086 52.037 0.027 0.000 0.646 470 A CB -0.275 18.736 19.000 0.019 0.000 0.806 470 A HN 0.170 nan 8.150 nan 0.000 0.448 471 I N -2.423 118.181 120.570 0.058 0.000 2.296 471 I HA 0.033 4.203 4.170 -0.000 0.000 0.242 471 I C 1.087 177.301 176.117 0.162 0.000 1.087 471 I CA 0.857 62.202 61.300 0.075 0.000 1.393 471 I CB 0.072 38.108 38.000 0.060 0.000 1.093 471 I HN 0.459 nan 8.210 nan 0.000 0.421 472 H N -0.497 118.609 119.070 0.060 0.000 3.094 472 H HA 0.226 4.782 4.556 -0.000 0.000 0.335 472 H C -0.224 175.189 175.328 0.141 0.000 1.254 472 H CA 0.221 56.319 56.048 0.083 0.000 1.240 472 H CB 1.587 31.395 29.762 0.077 0.000 1.936 472 H HN 0.228 nan 8.280 nan 0.000 0.536 473 G N 2.088 110.628 108.800 -0.433 0.000 2.298 473 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.287 473 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.287 473 G C 1.137 175.947 174.900 -0.151 0.000 1.075 473 G CA 0.611 45.585 45.100 -0.210 0.000 0.960 473 G HN 1.029 nan 8.290 nan 0.000 0.502 474 A N -0.395 122.349 122.820 -0.127 0.000 1.986 474 A HA -0.006 4.314 4.320 -0.000 0.000 0.220 474 A C 1.849 179.366 177.584 -0.112 0.000 1.171 474 A CA 2.051 54.037 52.037 -0.084 0.000 0.640 474 A CB -0.118 18.843 19.000 -0.065 0.000 0.811 474 A HN 0.692 nan 8.150 nan 0.000 0.451 475 E N -0.429 119.685 120.200 -0.144 0.000 2.499 475 E HA 0.088 4.438 4.350 -0.000 0.000 0.199 475 E C -0.406 176.074 176.600 -0.200 0.000 1.016 475 E CA -0.346 55.970 56.400 -0.141 0.000 0.933 475 E CB 0.307 29.945 29.700 -0.104 0.000 1.050 475 E HN 0.498 nan 8.360 nan 0.000 0.462 476 Q N 0.833 120.437 119.800 -0.327 0.000 2.293 476 Q HA 0.149 4.489 4.340 -0.000 0.000 0.251 476 Q C 0.841 176.533 176.000 -0.514 0.000 0.930 476 Q CA 0.096 55.581 55.803 -0.531 0.000 0.893 476 Q CB 1.559 29.663 28.738 -1.057 0.000 1.215 476 Q HN 0.164 nan 8.270 nan 0.000 0.425 477 R N 2.280 122.575 120.500 -0.341 0.000 2.139 477 R HA -0.217 4.123 4.340 -0.000 0.000 0.243 477 R C 1.576 177.807 176.300 -0.115 0.000 1.145 477 R CA 1.942 57.937 56.100 -0.174 0.000 0.976 477 R CB -0.151 30.108 30.300 -0.068 0.000 0.866 477 R HN 0.682 nan 8.270 nan 0.000 0.449 478 Y N -1.347 118.975 120.300 0.037 0.000 2.574 478 Y HA 0.096 4.646 4.550 -0.000 0.000 0.294 478 Y C 0.923 176.891 175.900 0.114 0.000 1.142 478 Y CA 0.276 58.418 58.100 0.070 0.000 1.314 478 Y CB -0.539 37.971 38.460 0.083 0.000 0.991 478 Y HN 0.009 nan 8.280 nan 0.000 0.555 479 N N 0.355 119.101 118.700 0.077 0.000 2.280 479 N HA 0.002 4.742 4.740 -0.000 0.000 0.192 479 N C -0.665 174.739 175.510 -0.176 0.000 1.109 479 N CA 0.276 53.411 53.050 0.142 0.000 0.855 479 N CB 0.053 38.596 38.487 0.094 0.000 0.974 479 N HN 0.416 nan 8.380 nan 0.000 0.482 480 D N 0.632 120.921 120.400 -0.186 0.000 2.340 480 D HA 0.407 5.047 4.640 -0.000 0.000 0.251 480 D C 0.769 176.868 176.300 -0.334 0.000 1.080 480 D CA -0.260 53.594 54.000 -0.242 0.000 0.971 480 D CB 1.802 42.519 40.800 -0.139 0.000 1.137 480 D HN 0.094 nan 8.370 nan 0.000 0.475 481 I N -3.400 116.986 120.570 -0.307 0.000 3.095 481 I HA 0.679 4.849 4.170 -0.000 0.000 0.310 481 I C -0.628 175.387 176.117 -0.169 0.000 1.196 481 I CA -1.568 59.561 61.300 -0.285 0.000 0.985 481 I CB 1.897 39.649 38.000 -0.413 0.000 1.250 481 I HN 0.261 nan 8.210 nan 0.000 0.446 482 A N 4.271 127.013 122.820 -0.129 0.000 2.520 482 A HA 0.404 4.724 4.320 -0.000 0.000 0.245 482 A C -0.102 177.438 177.584 -0.072 0.000 1.072 482 A CA -0.042 51.980 52.037 -0.025 0.000 0.761 482 A CB -0.211 18.865 19.000 0.125 0.000 1.004 482 A HN 0.646 nan 8.150 nan 0.000 0.499 483 L N 3.549 124.792 121.223 0.034 0.000 2.325 483 L HA 0.185 4.525 4.340 -0.000 0.000 0.284 483 L C -0.374 176.611 176.870 0.192 0.000 1.089 483 L CA -0.498 54.383 54.840 0.068 0.000 0.836 483 L CB 0.183 42.275 42.059 0.055 0.000 1.184 483 L HN 0.721 nan 8.230 nan 0.000 0.444 484 W N 2.070 123.255 121.300 -0.191 0.000 2.332 484 W HA 0.215 4.875 4.660 -0.000 0.000 0.351 484 W C 0.751 177.016 176.519 -0.424 0.000 1.195 484 W CA -1.227 55.837 57.345 -0.467 0.000 1.334 484 W CB 0.434 29.289 29.460 -1.008 0.000 1.206 484 W HN 0.440 nan 8.180 nan 0.000 0.637 485 N N 1.206 119.796 118.700 -0.183 0.000 3.301 485 N HA 0.072 4.812 4.740 -0.000 0.000 0.289 485 N C 0.471 175.973 175.510 -0.014 0.000 1.343 485 N CA -0.412 52.584 53.050 -0.089 0.000 1.136 485 N CB 0.018 38.392 38.487 -0.188 0.000 1.402 485 N HN 0.351 nan 8.380 nan 0.000 0.516 486 W N 0.258 121.664 121.300 0.177 0.000 2.290 486 W HA -0.292 4.368 4.660 -0.000 0.000 0.318 486 W C 2.690 179.296 176.519 0.144 0.000 1.248 486 W CA 1.714 59.164 57.345 0.175 0.000 1.263 486 W CB -0.875 28.675 29.460 0.151 0.000 1.147 486 W HN 0.404 nan 8.180 nan 0.000 0.494 487 T N -3.584 111.194 114.554 0.373 0.000 3.025 487 T HA -0.190 4.160 4.350 -0.000 0.000 0.270 487 T C 0.970 175.725 174.700 0.093 0.000 1.126 487 T CA 1.655 63.889 62.100 0.223 0.000 1.105 487 T CB -0.553 68.426 68.868 0.184 0.000 0.884 487 T HN 0.233 nan 8.240 nan 0.000 0.522 488 H N -0.541 118.537 119.070 0.013 0.000 2.586 488 H HA 0.493 5.049 4.556 -0.000 0.000 0.273 488 H C 1.714 177.004 175.328 -0.062 0.000 0.997 488 H CA -0.525 55.499 56.048 -0.039 0.000 1.177 488 H CB -0.161 29.564 29.762 -0.062 0.000 1.471 488 H HN 0.333 nan 8.280 nan 0.000 0.538 489 I N 0.883 121.484 120.570 0.050 0.000 2.202 489 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 489 I C -0.624 175.486 176.117 -0.012 0.000 1.091 489 I CA 0.871 62.160 61.300 -0.018 0.000 1.368 489 I CB -0.926 37.082 38.000 0.013 0.000 1.058 489 I HN 0.185 nan 8.210 nan 0.000 0.410 490 P HA -0.216 nan 4.420 nan 0.000 0.215 490 P C 1.179 178.465 177.300 -0.024 0.000 1.157 490 P CA 1.330 64.430 63.100 0.001 0.000 0.874 490 P CB -0.211 31.492 31.700 0.006 0.000 0.790 491 Q N -1.038 118.735 119.800 -0.045 0.000 2.541 491 Q HA 0.035 4.375 4.340 -0.000 0.000 0.215 491 Q C 1.562 177.537 176.000 -0.041 0.000 0.977 491 Q CA 1.453 57.226 55.803 -0.050 0.000 0.934 491 Q CB -0.787 27.905 28.738 -0.076 0.000 0.988 491 Q HN 0.202 nan 8.270 nan 0.000 0.521 492 A N 0.832 123.625 122.820 -0.045 0.000 2.035 492 A HA 0.233 4.553 4.320 -0.000 0.000 0.208 492 A C 1.725 179.275 177.584 -0.058 0.000 1.206 492 A CA -0.067 51.934 52.037 -0.060 0.000 0.773 492 A CB 0.152 19.097 19.000 -0.092 0.000 0.878 492 A HN 0.276 nan 8.150 nan 0.000 0.469 493 L N -0.046 121.148 121.223 -0.048 0.000 2.791 493 L HA 0.314 4.654 4.340 -0.000 0.000 0.239 493 L C 0.331 177.186 176.870 -0.026 0.000 1.203 493 L CA 0.073 54.888 54.840 -0.041 0.000 1.002 493 L CB 0.143 42.179 42.059 -0.040 0.000 1.295 493 L HN 0.275 nan 8.230 nan 0.000 0.504 494 S N -0.975 114.711 115.700 -0.022 0.000 2.558 494 S HA 0.411 4.881 4.470 -0.000 0.000 0.277 494 S C 0.223 174.815 174.600 -0.013 0.000 1.143 494 S CA -0.639 57.554 58.200 -0.011 0.000 0.865 494 S CB 1.223 64.422 63.200 -0.001 0.000 1.102 494 S HN 0.141 nan 8.310 nan 0.000 0.454 495 L N 1.576 122.795 121.223 -0.007 0.000 2.375 495 L HA 0.367 4.707 4.340 -0.000 0.000 0.215 495 L C 0.481 177.347 176.870 -0.007 0.000 1.108 495 L CA 0.536 55.371 54.840 -0.009 0.000 0.830 495 L CB 0.117 42.174 42.059 -0.004 0.000 0.959 495 L HN 0.595 nan 8.230 nan 0.000 0.457 496 D N 0.076 120.475 120.400 -0.001 0.000 2.586 496 D HA 0.200 4.840 4.640 -0.000 0.000 0.254 496 D C -2.546 173.759 176.300 0.008 0.000 1.248 496 D CA -1.437 52.563 54.000 0.000 0.000 0.843 496 D CB 1.199 42.004 40.800 0.007 0.000 1.332 496 D HN -0.132 nan 8.370 nan 0.000 0.523 497 P HA 0.112 nan 4.420 nan 0.000 0.264 497 P C -0.234 177.076 177.300 0.016 0.000 1.229 497 P CA -0.072 63.032 63.100 0.007 0.000 0.780 497 P CB 0.467 32.158 31.700 -0.015 0.000 0.808 498 Q N 2.255 122.086 119.800 0.051 0.000 3.184 498 Q HA 0.235 4.575 4.340 -0.000 0.000 0.288 498 Q C -0.033 176.009 176.000 0.070 0.000 1.412 498 Q CA 0.072 55.914 55.803 0.066 0.000 0.991 498 Q CB -0.587 28.226 28.738 0.125 0.000 1.688 498 Q HN 0.510 nan 8.270 nan 0.000 0.554 499 S N -1.066 114.648 115.700 0.023 0.000 2.720 499 S HA 0.693 5.163 4.470 -0.000 0.000 0.287 499 S C -0.805 173.759 174.600 -0.060 0.000 1.168 499 S CA -1.021 57.190 58.200 0.019 0.000 0.832 499 S CB 2.183 65.403 63.200 0.032 0.000 1.166 499 S HN 0.164 nan 8.310 nan 0.000 0.493 500 E N 0.038 120.184 120.200 -0.089 0.000 2.334 500 E HA 0.401 4.751 4.350 -0.000 0.000 0.280 500 E C -1.537 174.777 176.600 -0.477 0.000 0.899 500 E CA -0.427 55.757 56.400 -0.360 0.000 0.813 500 E CB 1.702 31.193 29.700 -0.348 0.000 1.318 500 E HN 0.783 nan 8.360 nan 0.000 0.399 501 C N 3.718 122.689 119.300 -0.549 0.000 2.391 501 C HA 0.626 5.086 4.460 -0.000 0.000 0.339 501 C C -0.164 174.538 174.990 -0.479 0.000 1.205 501 C CA -0.680 58.158 59.018 -0.300 0.000 1.937 501 C CB 0.540 28.203 27.740 -0.128 0.000 2.341 501 C HN 0.612 nan 8.230 nan 0.000 0.516 502 W N 0.740 122.054 121.300 0.024 0.000 3.029 502 W HA 0.603 5.263 4.660 -0.000 0.000 0.339 502 W C -0.240 176.298 176.519 0.031 0.000 1.198 502 W CA -0.689 56.668 57.345 0.019 0.000 1.148 502 W CB 1.520 30.980 29.460 0.001 0.000 1.451 502 W HN 0.463 nan 8.180 nan 0.000 0.564 503 R N 1.856 122.526 120.500 0.283 0.000 2.514 503 R HA 0.584 4.924 4.340 -0.000 0.000 0.296 503 R C -1.720 174.661 176.300 0.134 0.000 1.012 503 R CA -0.252 55.950 56.100 0.170 0.000 0.897 503 R CB 1.950 32.334 30.300 0.140 0.000 1.184 503 R HN 0.320 nan 8.270 nan 0.000 0.440 504 V N 2.161 122.121 119.914 0.076 0.000 3.046 504 V HA 0.490 4.610 4.120 -0.000 0.000 0.316 504 V C 0.455 176.556 176.094 0.011 0.000 1.104 504 V CA -0.187 62.135 62.300 0.037 0.000 1.006 504 V CB 2.100 33.926 31.823 0.004 0.000 1.058 504 V HN 0.993 nan 8.190 nan 0.000 0.440 505 S N -0.845 114.857 115.700 0.005 0.000 2.631 505 S HA 0.255 4.725 4.470 -0.000 0.000 0.248 505 S C -0.290 174.308 174.600 -0.003 0.000 0.949 505 S CA -0.449 57.748 58.200 -0.005 0.000 1.470 505 S CB 0.315 63.516 63.200 0.002 0.000 1.248 505 S HN 0.599 nan 8.310 nan 0.000 0.662 506 E N 1.289 121.489 120.200 -0.001 0.000 2.222 506 E HA 0.723 5.073 4.350 -0.000 0.000 0.267 506 E C 0.929 177.524 176.600 -0.008 0.000 0.884 506 E CA -0.109 56.290 56.400 -0.002 0.000 0.764 506 E CB 1.728 31.428 29.700 0.000 0.000 1.169 506 E HN 0.186 nan 8.360 nan 0.000 0.413 507 A N 3.216 126.032 122.820 -0.006 0.000 1.896 507 A HA -0.321 3.999 4.320 -0.000 0.000 0.220 507 A C 1.585 179.151 177.584 -0.031 0.000 1.206 507 A CA 2.460 54.489 52.037 -0.014 0.000 0.647 507 A CB -0.520 18.476 19.000 -0.007 0.000 0.828 507 A HN 0.597 nan 8.150 nan 0.000 0.455 508 E N 0.300 120.485 120.200 -0.026 0.000 2.204 508 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 508 E C 1.977 178.547 176.600 -0.049 0.000 0.989 508 E CA 1.353 57.733 56.400 -0.034 0.000 0.824 508 E CB -0.432 29.255 29.700 -0.021 0.000 0.756 508 E HN 0.819 nan 8.360 nan 0.000 0.477 509 Q N 0.348 120.123 119.800 -0.042 0.000 2.046 509 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 509 Q C 2.182 178.120 176.000 -0.103 0.000 0.975 509 Q CA 0.906 56.676 55.803 -0.054 0.000 0.836 509 Q CB -0.260 28.465 28.738 -0.021 0.000 0.896 509 Q HN 0.272 nan 8.270 nan 0.000 0.428 510 L N 0.928 122.096 121.223 -0.091 0.000 1.989 510 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 510 L C 2.221 178.977 176.870 -0.190 0.000 1.071 510 L CA 2.136 56.897 54.840 -0.132 0.000 0.749 510 L CB -1.009 41.003 42.059 -0.077 0.000 0.890 510 L HN 0.224 nan 8.230 nan 0.000 0.431 511 A N -0.633 122.100 122.820 -0.145 0.000 2.024 511 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 511 A C 1.803 179.299 177.584 -0.146 0.000 1.164 511 A CA 1.970 53.923 52.037 -0.140 0.000 0.643 511 A CB -0.534 18.415 19.000 -0.086 0.000 0.806 511 A HN 0.549 nan 8.150 nan 0.000 0.451 512 D N -0.871 119.439 120.400 -0.151 0.000 2.183 512 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 512 D C 2.064 178.209 176.300 -0.258 0.000 0.962 512 D CA 1.082 54.989 54.000 -0.154 0.000 0.849 512 D CB -0.104 40.628 40.800 -0.114 0.000 0.978 512 D HN 0.214 nan 8.370 nan 0.000 0.488 513 V N 1.003 120.690 119.914 -0.378 0.000 2.307 513 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 513 V C 2.628 178.393 176.094 -0.549 0.000 1.045 513 V CA 1.019 62.922 62.300 -0.663 0.000 1.024 513 V CB -0.557 30.803 31.823 -0.771 0.000 0.651 513 V HN 0.198 nan 8.190 nan 0.000 0.449 514 L N -0.050 120.893 121.223 -0.467 0.000 2.021 514 L HA -0.225 4.115 4.340 -0.000 0.000 0.215 514 L C 2.840 179.579 176.870 -0.218 0.000 1.074 514 L CA 1.659 56.172 54.840 -0.544 0.000 0.760 514 L CB -0.809 40.827 42.059 -0.705 0.000 0.889 514 L HN 0.370 nan 8.230 nan 0.000 0.433 515 E N 0.585 120.699 120.200 -0.144 0.000 2.085 515 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 515 E C 2.102 178.688 176.600 -0.024 0.000 0.994 515 E CA 1.368 57.750 56.400 -0.029 0.000 0.801 515 E CB -0.255 29.421 29.700 -0.039 0.000 0.743 515 E HN 0.558 nan 8.360 nan 0.000 0.453 516 K N 0.631 120.951 120.400 -0.135 0.000 2.057 516 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 516 K C 2.156 178.738 176.600 -0.030 0.000 1.050 516 K CA 1.521 57.748 56.287 -0.101 0.000 0.935 516 K CB -0.150 32.207 32.500 -0.240 0.000 0.715 516 K HN 0.154 nan 8.250 nan 0.000 0.439 517 V N -2.169 117.685 119.914 -0.101 0.000 3.633 517 V HA 0.277 4.397 4.120 -0.000 0.000 0.283 517 V C 1.823 178.016 176.094 0.165 0.000 1.305 517 V CA 0.701 63.025 62.300 0.040 0.000 1.153 517 V CB -0.146 31.672 31.823 -0.010 0.000 0.950 517 V HN 0.128 nan 8.190 nan 0.000 0.432 518 A N 0.784 123.704 122.820 0.167 0.000 2.032 518 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 518 A C 1.690 179.164 177.584 -0.184 0.000 1.165 518 A CA 2.346 54.443 52.037 0.099 0.000 0.645 518 A CB -0.872 18.094 19.000 -0.056 0.000 0.807 518 A HN 0.835 nan 8.150 nan 0.000 0.453 519 H N -0.898 118.210 119.070 0.064 0.000 2.505 519 H HA 0.147 4.702 4.556 -0.000 0.000 0.286 519 H C 0.092 175.179 175.328 -0.403 0.000 1.072 519 H CA 0.090 56.071 56.048 -0.113 0.000 1.141 519 H CB -0.331 29.355 29.762 -0.127 0.000 1.550 519 H HN 0.769 nan 8.280 nan 0.000 0.547 520 H N 0.476 119.635 119.070 0.147 0.000 2.111 520 H HA -0.200 4.356 4.556 -0.000 0.000 0.315 520 H C -0.380 174.976 175.328 0.048 0.000 0.885 520 H CA 0.757 56.883 56.048 0.131 0.000 1.042 520 H CB -1.554 28.311 29.762 0.171 0.000 1.589 520 H HN 0.575 nan 8.280 nan 0.000 0.316 521 E N 1.380 121.509 120.200 -0.118 0.000 2.489 521 E HA 0.095 4.445 4.350 -0.000 0.000 0.193 521 E C 1.020 177.243 176.600 -0.629 0.000 1.057 521 E CA 0.630 56.866 56.400 -0.274 0.000 0.866 521 E CB 0.430 30.052 29.700 -0.130 0.000 0.916 521 E HN 0.854 nan 8.360 nan 0.000 0.500 522 R N -0.873 119.351 120.500 -0.460 0.000 2.752 522 R HA 0.235 4.575 4.340 -0.000 0.000 0.277 522 R C -1.230 175.140 176.300 0.118 0.000 1.024 522 R CA -1.017 54.868 56.100 -0.359 0.000 0.866 522 R CB 0.225 30.449 30.300 -0.126 0.000 1.278 522 R HN -0.076 nan 8.270 nan 0.000 0.473 523 L N 2.627 124.005 121.223 0.258 0.000 2.462 523 L HA 0.253 4.593 4.340 -0.000 0.000 0.272 523 L C -0.495 176.490 176.870 0.192 0.000 1.166 523 L CA 0.927 55.911 54.840 0.240 0.000 0.880 523 L CB 0.661 42.840 42.059 0.200 0.000 1.142 523 L HN 0.837 nan 8.230 nan 0.000 0.473 524 S N 5.934 121.766 115.700 0.220 0.000 2.561 524 S HA 0.633 5.103 4.470 -0.000 0.000 0.303 524 S C -0.846 173.894 174.600 0.234 0.000 1.110 524 S CA -0.916 57.448 58.200 0.273 0.000 1.034 524 S CB 2.037 65.455 63.200 0.364 0.000 1.010 524 S HN 0.552 nan 8.310 nan 0.000 0.482 525 L N 3.933 125.294 121.223 0.230 0.000 2.325 525 L HA 0.659 4.999 4.340 -0.000 0.000 0.281 525 L C -1.292 175.718 176.870 0.234 0.000 1.004 525 L CA -0.954 54.002 54.840 0.192 0.000 0.823 525 L CB 0.846 43.005 42.059 0.167 0.000 1.236 525 L HN 0.828 nan 8.230 nan 0.000 0.415 526 I N 4.598 125.270 120.570 0.169 0.000 2.354 526 I HA 0.322 4.492 4.170 -0.000 0.000 0.286 526 I C -0.049 176.097 176.117 0.049 0.000 1.007 526 I CA -0.505 60.884 61.300 0.148 0.000 1.167 526 I CB 1.593 39.631 38.000 0.063 0.000 1.320 526 I HN 0.624 nan 8.210 nan 0.000 0.458 527 E N 6.932 127.174 120.200 0.071 0.000 2.052 527 E HA 0.272 4.622 4.350 -0.000 0.000 0.283 527 E C -1.174 175.393 176.600 -0.056 0.000 1.071 527 E CA -0.507 55.880 56.400 -0.022 0.000 0.851 527 E CB 0.993 30.747 29.700 0.091 0.000 1.066 527 E HN 0.395 nan 8.360 nan 0.000 0.396 528 V N 6.655 126.473 119.914 -0.160 0.000 2.334 528 V HA 0.143 4.263 4.120 -0.000 0.000 0.267 528 V C 0.293 176.263 176.094 -0.207 0.000 1.040 528 V CA -0.645 61.543 62.300 -0.188 0.000 0.866 528 V CB 0.755 32.379 31.823 -0.332 0.000 1.019 528 V HN 0.794 nan 8.190 nan 0.000 0.468 529 M N 6.651 126.179 119.600 -0.119 0.000 2.227 529 M HA 0.430 4.910 4.480 -0.000 0.000 0.349 529 M C -0.523 175.705 176.300 -0.119 0.000 1.443 529 M CA 0.492 55.735 55.300 -0.096 0.000 1.110 529 M CB -0.064 32.513 32.600 -0.038 0.000 1.773 529 M HN 0.415 nan 8.290 nan 0.000 0.463 530 L N 4.563 125.710 121.223 -0.127 0.000 2.350 530 L HA 0.585 4.925 4.340 -0.000 0.000 0.260 530 L C -2.243 174.585 176.870 -0.070 0.000 1.015 530 L CA -2.052 52.717 54.840 -0.117 0.000 0.821 530 L CB 2.588 44.538 42.059 -0.183 0.000 1.370 530 L HN 0.415 nan 8.230 nan 0.000 0.416 531 P HA 0.061 nan 4.420 nan 0.000 0.271 531 P C 0.004 177.289 177.300 -0.025 0.000 1.216 531 P CA -0.274 62.810 63.100 -0.027 0.000 0.771 531 P CB 0.731 32.424 31.700 -0.012 0.000 0.864 532 K N 3.214 123.599 120.400 -0.025 0.000 2.160 532 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 532 K C 1.185 177.779 176.600 -0.011 0.000 1.047 532 K CA 1.907 58.179 56.287 -0.024 0.000 0.930 532 K CB -0.272 32.211 32.500 -0.029 0.000 0.720 532 K HN 0.493 nan 8.250 nan 0.000 0.450 533 A N 0.346 123.162 122.820 -0.006 0.000 2.390 533 A HA 0.073 4.393 4.320 -0.000 0.000 0.232 533 A C -0.210 177.383 177.584 0.015 0.000 1.233 533 A CA -0.338 51.701 52.037 0.003 0.000 0.907 533 A CB 0.190 19.188 19.000 -0.004 0.000 0.967 533 A HN 0.284 nan 8.150 nan 0.000 0.512 534 D N 0.639 121.049 120.400 0.017 0.000 2.401 534 D HA 0.330 4.970 4.640 -0.000 0.000 0.254 534 D C -0.987 175.349 176.300 0.060 0.000 1.192 534 D CA 0.595 54.617 54.000 0.036 0.000 0.885 534 D CB 0.331 41.150 40.800 0.031 0.000 1.147 534 D HN 0.091 nan 8.370 nan 0.000 0.478 535 I N 5.047 125.658 120.570 0.070 0.000 2.608 535 I HA 0.348 4.518 4.170 -0.000 0.000 0.295 535 I C -2.178 174.000 176.117 0.103 0.000 1.049 535 I CA -2.388 58.963 61.300 0.085 0.000 1.063 535 I CB 2.142 40.173 38.000 0.051 0.000 1.248 535 I HN 0.247 nan 8.210 nan 0.000 0.424 536 P HA 0.276 nan 4.420 nan 0.000 0.274 536 P C -2.166 175.161 177.300 0.046 0.000 1.231 536 P CA -0.947 62.217 63.100 0.107 0.000 0.790 536 P CB 0.154 31.901 31.700 0.078 0.000 0.951 537 P HA -0.234 nan 4.420 nan 0.000 0.212 537 P C 1.494 178.780 177.300 -0.023 0.000 1.174 537 P CA 1.059 64.161 63.100 0.004 0.000 0.934 537 P CB -0.295 31.407 31.700 0.003 0.000 0.791 538 L N -0.987 120.216 121.223 -0.033 0.000 2.021 538 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 538 L C 2.221 179.018 176.870 -0.121 0.000 1.074 538 L CA 1.848 56.650 54.840 -0.063 0.000 0.760 538 L CB -1.597 40.444 42.059 -0.029 0.000 0.889 538 L HN -0.129 nan 8.230 nan 0.000 0.433 539 L N 0.162 121.328 121.223 -0.094 0.000 2.129 539 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 539 L C 2.333 179.115 176.870 -0.146 0.000 1.087 539 L CA 2.099 56.837 54.840 -0.170 0.000 0.757 539 L CB -1.496 40.556 42.059 -0.012 0.000 0.896 539 L HN 0.401 nan 8.230 nan 0.000 0.434 540 G N -1.354 107.398 108.800 -0.080 0.000 2.446 540 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 540 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 540 G C 1.603 176.449 174.900 -0.089 0.000 1.168 540 G CA 0.954 46.016 45.100 -0.064 0.000 0.771 540 G HN 0.642 nan 8.290 nan 0.000 0.551 541 A N 0.564 123.321 122.820 -0.104 0.000 1.845 541 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 541 A C 2.401 179.895 177.584 -0.150 0.000 1.195 541 A CA 1.747 53.718 52.037 -0.111 0.000 0.616 541 A CB -0.726 18.208 19.000 -0.110 0.000 0.832 541 A HN 0.438 nan 8.150 nan 0.000 0.443 542 L N -0.603 120.485 121.223 -0.226 0.000 2.081 542 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 542 L C 2.595 179.328 176.870 -0.228 0.000 1.080 542 L CA 2.662 57.327 54.840 -0.291 0.000 0.754 542 L CB -0.766 40.977 42.059 -0.527 0.000 0.893 542 L HN 0.423 nan 8.230 nan 0.000 0.433 543 T N -1.139 113.299 114.554 -0.193 0.000 2.777 543 T HA -0.235 4.115 4.350 -0.000 0.000 0.266 543 T C 1.991 176.644 174.700 -0.078 0.000 1.040 543 T CA 1.660 63.688 62.100 -0.121 0.000 1.141 543 T CB -0.100 68.718 68.868 -0.084 0.000 0.868 543 T HN 0.324 nan 8.240 nan 0.000 0.444 544 K N 0.178 120.534 120.400 -0.073 0.000 2.148 544 K HA 0.038 4.358 4.320 -0.000 0.000 0.204 544 K C 2.320 178.891 176.600 -0.050 0.000 1.050 544 K CA 1.053 57.312 56.287 -0.048 0.000 0.942 544 K CB -0.223 32.251 32.500 -0.044 0.000 0.724 544 K HN 0.302 nan 8.250 nan 0.000 0.446 545 A N 1.130 123.905 122.820 -0.076 0.000 1.897 545 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 545 A C 2.042 179.585 177.584 -0.068 0.000 1.181 545 A CA 0.921 52.913 52.037 -0.074 0.000 0.620 545 A CB -0.478 18.457 19.000 -0.108 0.000 0.821 545 A HN 0.265 nan 8.150 nan 0.000 0.443 546 L N -0.830 120.343 121.223 -0.084 0.000 2.017 546 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 546 L C 2.665 179.511 176.870 -0.041 0.000 1.073 546 L CA 1.972 56.770 54.840 -0.071 0.000 0.745 546 L CB -0.444 41.566 42.059 -0.082 0.000 0.894 546 L HN 0.556 nan 8.230 nan 0.000 0.432 547 E N 0.299 120.485 120.200 -0.022 0.000 2.204 547 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 547 E C 2.057 178.657 176.600 -0.001 0.000 0.989 547 E CA 1.076 57.477 56.400 0.003 0.000 0.824 547 E CB 0.034 29.759 29.700 0.041 0.000 0.756 547 E HN 0.379 nan 8.360 nan 0.000 0.477 548 A N -0.116 122.699 122.820 -0.008 0.000 1.972 548 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 548 A C 2.359 179.941 177.584 -0.003 0.000 1.169 548 A CA 1.378 53.413 52.037 -0.004 0.000 0.635 548 A CB -0.832 18.163 19.000 -0.007 0.000 0.810 548 A HN 0.524 nan 8.150 nan 0.000 0.446 549 C N -0.040 119.255 119.300 -0.009 0.000 2.446 549 C HA -0.004 4.456 4.460 -0.000 0.000 0.279 549 C C 2.269 177.251 174.990 -0.014 0.000 1.366 549 C CA 0.723 59.739 59.018 -0.003 0.000 1.763 549 C CB -1.283 26.453 27.740 -0.005 0.000 1.929 549 C HN 0.603 nan 8.230 nan 0.000 0.509 550 N N 1.554 120.238 118.700 -0.026 0.000 2.494 550 N HA 0.032 4.772 4.740 -0.000 0.000 0.182 550 N C 0.177 175.665 175.510 -0.035 0.000 1.076 550 N CA 0.729 53.752 53.050 -0.046 0.000 0.908 550 N CB -0.100 38.340 38.487 -0.078 0.000 0.967 550 N HN 0.655 nan 8.380 nan 0.000 0.449 551 N N 0.000 118.691 118.700 -0.015 0.000 1.763 551 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 551 N CA 0.000 53.047 53.050 -0.006 0.000 0.885 551 N CB 0.000 38.491 38.487 0.006 0.000 1.341 551 N HN 0.000 nan 8.380 nan 0.000 0.667