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 2iuf_1_E DATA FIRST_RESID 2 DATA SEQUENCE QQFLSQFYLN DQDVYLTSNV GGPIQDENSL SAGQRGATLL QDFIFREKIQ DATA SEQUENCE RFDHERVPER AVHARGTGAH GTFTSYGDWS NLTAASFLSA EGKETPMFTR DATA SEQUENCE FSTVAGSRGS ADTARDVHGF ATRFYTDEGN FDIVGNNIPV FFIQDAILFP DATA SEQUENCE DLIHAVKPRG DNQIPQAATA HDSAWDFFSQ QPSVLHTLLW AXAGHGIPRS DATA SEQUENCE FRHVNGFGVH TFRLVTDDGK TKLVKFHWKG LQGKASFVWE EAQQTAGKNA DATA SEQUENCE DFXRQDLFQS IQAGRFPEWE LGVQIMQEQD QLKFGFDLLD PTKIVPEELV DATA SEQUENCE PVTILGKMQL NRNPXNYFAE TEQVMFQPGH IVRGVDFTED PLLQGRLFSY DATA SEQUENCE LDTQLNRHGG PNFEQLPINR PRAPIHNNNR DGAGQMFIPL DPNAYSPNTE DATA SEQUENCE NKGSPKQANE TVGKGFFTAP ERTASGKLQR TLSTTFENNW SQPRLFWNSL DATA SEQUENCE VNAQKEFIVD AXRFETSNVS SSVVRDDVII QLNRISDNLA TRVASAIGVE DATA SEQUENCE APKPNSSFYH DNTTAHIGAF GEKLAKLDGL KVGLLASVNK PASIAQGAKL DATA SEQUENCE QVALSSVGVD VVVVAERXAN NVDETYSASD AVQFDAVVVA DGAEGLFGAD DATA SEQUENCE SFTVEPSAGS GASTLYPAGR PLNILLDAFR FGKTVGALGS GSDALESGQI DATA SEQUENCE SSERQGVYTG KNAGDAFAKD IKSGLSTFKF LDRFAVDE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.947 176.000 -0.088 0.000 1.003 2 Q CA 0.000 55.768 55.803 -0.058 0.000 1.022 2 Q CB 0.000 28.726 28.738 -0.020 0.000 1.108 3 Q N -0.140 119.625 119.800 -0.059 0.000 2.084 3 Q HA -0.056 4.284 4.340 0.001 0.000 0.202 3 Q C 1.307 177.225 176.000 -0.136 0.000 0.978 3 Q CA 1.883 57.629 55.803 -0.095 0.000 0.844 3 Q CB -0.291 28.418 28.738 -0.048 0.000 0.898 3 Q HN 0.447 nan 8.270 nan 0.000 0.426 4 F N 0.578 120.427 119.950 -0.168 0.000 2.051 4 F HA -0.111 4.417 4.527 0.001 0.000 0.296 4 F C 1.577 177.286 175.800 -0.151 0.000 1.122 4 F CA 1.304 59.215 58.000 -0.148 0.000 1.201 4 F CB -0.140 38.789 39.000 -0.119 0.000 0.978 4 F HN -0.005 nan 8.300 nan 0.000 0.472 5 L N 0.230 121.429 121.223 -0.041 0.000 2.275 5 L HA -0.155 4.185 4.340 0.001 0.000 0.215 5 L C 2.568 179.098 176.870 -0.568 0.000 1.119 5 L CA 1.135 55.937 54.840 -0.063 0.000 0.790 5 L CB -0.880 41.235 42.059 0.092 0.000 0.919 5 L HN 0.355 nan 8.230 nan 0.000 0.443 6 S N -0.097 115.083 115.700 -0.867 0.000 2.447 6 S HA -0.245 4.225 4.470 0.001 0.000 0.233 6 S C 1.850 175.919 174.600 -0.885 0.000 1.006 6 S CA 0.970 58.328 58.200 -1.403 0.000 0.957 6 S CB -0.401 62.359 63.200 -0.733 0.000 0.773 6 S HN 0.671 nan 8.310 nan 0.000 0.507 7 Q N -0.074 119.244 119.800 -0.804 0.000 2.364 7 Q HA -0.049 4.292 4.340 0.001 0.000 0.209 7 Q C 0.843 176.357 176.000 -0.809 0.000 0.977 7 Q CA 1.108 56.416 55.803 -0.825 0.000 0.885 7 Q CB -0.644 27.466 28.738 -1.046 0.000 0.941 7 Q HN 0.681 nan 8.270 nan 0.000 0.464 8 F N -0.735 119.047 119.950 -0.280 0.000 2.695 8 F HA 0.269 4.796 4.527 0.001 0.000 0.303 8 F C -0.007 175.851 175.800 0.097 0.000 1.091 8 F CA -0.918 57.029 58.000 -0.089 0.000 1.300 8 F CB 0.190 39.146 39.000 -0.074 0.000 1.071 8 F HN -0.095 nan 8.300 nan 0.000 0.578 9 Y N 2.037 122.365 120.300 0.046 0.000 2.497 9 Y HA 0.286 4.837 4.550 0.001 0.000 0.334 9 Y C 0.297 176.215 175.900 0.030 0.000 1.199 9 Y CA -1.231 56.894 58.100 0.043 0.000 1.425 9 Y CB 0.035 38.502 38.460 0.012 0.000 1.291 9 Y HN -0.155 nan 8.280 nan 0.000 0.562 10 L N 4.593 125.932 121.223 0.194 0.000 2.298 10 L HA 0.324 4.664 4.340 0.001 0.000 0.284 10 L C 0.139 177.052 176.870 0.073 0.000 1.013 10 L CA -0.596 54.310 54.840 0.110 0.000 0.824 10 L CB 1.051 43.162 42.059 0.087 0.000 1.221 10 L HN 0.561 nan 8.230 nan 0.000 0.418 11 N N 2.560 121.299 118.700 0.064 0.000 2.419 11 N HA 0.125 4.865 4.740 0.001 0.000 0.264 11 N C -0.715 174.810 175.510 0.026 0.000 1.031 11 N CA -0.194 52.879 53.050 0.038 0.000 0.951 11 N CB 1.464 39.977 38.487 0.043 0.000 1.101 11 N HN 0.507 nan 8.380 nan 0.000 0.488 12 D N 2.256 122.665 120.400 0.015 0.000 2.643 12 D HA 0.100 4.740 4.640 0.001 0.000 0.244 12 D C -0.208 176.087 176.300 -0.007 0.000 1.257 12 D CA 0.016 54.020 54.000 0.007 0.000 0.831 12 D CB 0.435 41.241 40.800 0.009 0.000 1.043 12 D HN 0.521 nan 8.370 nan 0.000 0.488 13 Q N 0.828 120.624 119.800 -0.007 0.000 2.296 13 Q HA 0.119 4.459 4.340 0.001 0.000 0.262 13 Q C -0.215 175.767 176.000 -0.031 0.000 0.981 13 Q CA -0.276 55.517 55.803 -0.016 0.000 0.905 13 Q CB 0.892 29.625 28.738 -0.007 0.000 1.186 13 Q HN -0.020 nan 8.270 nan 0.000 0.399 14 D N 1.085 121.452 120.400 -0.054 0.000 2.802 14 D HA -0.167 4.473 4.640 0.001 0.000 0.229 14 D C -1.380 174.856 176.300 -0.106 0.000 1.203 14 D CA 0.688 54.636 54.000 -0.087 0.000 0.712 14 D CB -0.665 40.099 40.800 -0.059 0.000 0.973 14 D HN 0.324 nan 8.370 nan 0.000 0.407 15 V N -1.559 118.275 119.914 -0.134 0.000 3.114 15 V HA 0.683 4.803 4.120 0.001 0.000 0.308 15 V C -0.093 175.875 176.094 -0.209 0.000 1.168 15 V CA -1.255 60.977 62.300 -0.114 0.000 1.015 15 V CB 1.427 33.241 31.823 -0.015 0.000 1.050 15 V HN 0.010 nan 8.190 nan 0.000 0.433 16 Y N 1.287 121.595 120.300 0.014 0.000 2.309 16 Y HA 0.562 5.113 4.550 0.001 0.000 0.327 16 Y C 0.385 176.294 175.900 0.015 0.000 1.172 16 Y CA -0.213 57.895 58.100 0.013 0.000 1.280 16 Y CB 1.235 39.704 38.460 0.014 0.000 1.234 16 Y HN 0.716 nan 8.280 nan 0.000 0.512 17 L N 3.416 124.748 121.223 0.181 0.000 2.485 17 L HA 0.254 4.594 4.340 0.001 0.000 0.275 17 L C 0.358 177.294 176.870 0.111 0.000 1.207 17 L CA 0.500 55.405 54.840 0.109 0.000 0.855 17 L CB 0.205 42.314 42.059 0.084 0.000 1.114 17 L HN 0.843 nan 8.230 nan 0.000 0.485 18 T N 0.613 115.215 114.554 0.080 0.000 2.883 18 T HA 0.656 5.006 4.350 0.001 0.000 0.296 18 T C -0.061 174.678 174.700 0.065 0.000 1.117 18 T CA -0.216 61.929 62.100 0.075 0.000 1.006 18 T CB 1.119 70.031 68.868 0.073 0.000 1.191 18 T HN 0.831 nan 8.240 nan 0.000 0.508 19 S N 1.464 117.212 115.700 0.079 0.000 2.606 19 S HA 0.187 4.658 4.470 0.001 0.000 0.257 19 S C 0.887 175.526 174.600 0.066 0.000 1.327 19 S CA -0.524 57.727 58.200 0.085 0.000 0.984 19 S CB -0.137 63.149 63.200 0.144 0.000 0.941 19 S HN 0.708 nan 8.310 nan 0.000 0.576 20 N N 0.056 118.792 118.700 0.060 0.000 2.573 20 N HA -0.017 4.724 4.740 0.001 0.000 0.187 20 N C 0.982 176.518 175.510 0.043 0.000 1.107 20 N CA 0.962 54.039 53.050 0.045 0.000 0.918 20 N CB -0.382 38.126 38.487 0.034 0.000 0.966 20 N HN 0.661 nan 8.380 nan 0.000 0.448 21 V N -4.347 115.597 119.914 0.051 0.000 3.006 21 V HA 0.582 4.703 4.120 0.001 0.000 0.357 21 V C 1.076 177.194 176.094 0.041 0.000 1.377 21 V CA -0.079 62.243 62.300 0.038 0.000 1.198 21 V CB 0.005 31.844 31.823 0.027 0.000 1.216 21 V HN 0.125 nan 8.190 nan 0.000 0.520 22 G N -0.145 108.685 108.800 0.050 0.000 2.153 22 G HA2 -0.148 3.812 3.960 0.001 0.000 0.252 22 G HA3 -0.148 3.812 3.960 0.001 0.000 0.252 22 G C 0.552 175.484 174.900 0.053 0.000 0.994 22 G CA 0.019 45.148 45.100 0.048 0.000 0.698 22 G HN 1.592 nan 8.290 nan 0.000 0.521 23 G N 0.265 109.106 108.800 0.069 0.000 2.333 23 G HA2 0.613 4.574 3.960 0.001 0.000 0.290 23 G HA3 0.613 4.574 3.960 0.001 0.000 0.290 23 G C -2.084 172.866 174.900 0.084 0.000 1.150 23 G CA -1.067 44.080 45.100 0.079 0.000 0.895 23 G HN 0.183 nan 8.290 nan 0.000 0.444 24 P HA 0.235 nan 4.420 nan 0.000 0.268 24 P C 0.100 177.434 177.300 0.056 0.000 1.204 24 P CA 0.136 63.269 63.100 0.053 0.000 0.768 24 P CB 0.757 32.458 31.700 0.002 0.000 0.842 25 I N -0.498 120.107 120.570 0.057 0.000 3.279 25 I HA 0.604 4.774 4.170 0.001 0.000 0.315 25 I C -1.008 175.128 176.117 0.032 0.000 1.187 25 I CA -1.484 59.836 61.300 0.032 0.000 0.953 25 I CB 2.238 40.243 38.000 0.008 0.000 1.279 25 I HN 0.280 nan 8.210 nan 0.000 0.465 26 Q N 0.970 120.772 119.800 0.003 0.000 2.351 26 Q HA 0.546 4.886 4.340 0.001 0.000 0.273 26 Q C -1.488 174.501 176.000 -0.019 0.000 1.077 26 Q CA -0.655 55.152 55.803 0.008 0.000 0.843 26 Q CB 2.510 31.253 28.738 0.009 0.000 1.367 26 Q HN 0.762 nan 8.270 nan 0.000 0.449 27 D N 0.031 120.425 120.400 -0.011 0.000 2.712 27 D HA 0.073 4.713 4.640 0.001 0.000 0.300 27 D C -0.139 176.155 176.300 -0.009 0.000 1.521 27 D CA -0.193 53.794 54.000 -0.021 0.000 0.790 27 D CB 0.355 41.139 40.800 -0.028 0.000 1.155 27 D HN 0.560 nan 8.370 nan 0.000 0.456 28 E N 0.106 120.305 120.200 -0.001 0.000 2.447 28 E HA 0.170 4.520 4.350 0.001 0.000 0.204 28 E C -0.144 176.461 176.600 0.008 0.000 0.977 28 E CA 0.118 56.520 56.400 0.002 0.000 0.950 28 E CB 0.755 30.456 29.700 0.000 0.000 0.975 28 E HN 0.260 nan 8.360 nan 0.000 0.496 29 N N 0.670 119.375 118.700 0.009 0.000 2.310 29 N HA 0.210 4.951 4.740 0.001 0.000 0.292 29 N C -0.835 174.680 175.510 0.008 0.000 1.049 29 N CA -0.194 52.859 53.050 0.005 0.000 0.849 29 N CB 2.168 40.651 38.487 -0.006 0.000 1.532 29 N HN -0.204 nan 8.380 nan 0.000 0.479 30 S N 1.063 116.764 115.700 0.002 0.000 2.579 30 S HA 0.123 4.593 4.470 0.001 0.000 0.275 30 S C 0.311 174.875 174.600 -0.059 0.000 1.345 30 S CA -0.437 57.739 58.200 -0.040 0.000 1.031 30 S CB 0.506 63.609 63.200 -0.161 0.000 0.892 30 S HN 0.386 nan 8.310 nan 0.000 0.529 31 L N 3.590 124.774 121.223 -0.067 0.000 2.313 31 L HA 0.415 4.756 4.340 0.001 0.000 0.282 31 L C 0.084 176.915 176.870 -0.065 0.000 1.092 31 L CA 0.426 55.236 54.840 -0.050 0.000 0.831 31 L CB 0.196 42.235 42.059 -0.032 0.000 1.159 31 L HN 0.692 nan 8.230 nan 0.000 0.442 32 S N 3.697 119.368 115.700 -0.049 0.000 2.599 32 S HA 0.850 5.321 4.470 0.001 0.000 0.294 32 S C -0.271 174.309 174.600 -0.033 0.000 1.094 32 S CA -0.511 57.659 58.200 -0.050 0.000 0.931 32 S CB 1.610 64.779 63.200 -0.051 0.000 1.093 32 S HN 0.972 nan 8.310 nan 0.000 0.488 33 A N 1.684 124.485 122.820 -0.032 0.000 2.797 33 A HA 0.655 4.975 4.320 0.001 0.000 0.296 33 A C 1.234 178.806 177.584 -0.020 0.000 1.580 33 A CA 0.220 52.243 52.037 -0.022 0.000 1.277 33 A CB -1.663 17.324 19.000 -0.022 0.000 1.101 33 A HN 2.384 nan 8.150 nan 0.000 0.562 34 G N 1.023 109.813 108.800 -0.017 0.000 2.828 34 G HA2 -0.243 3.717 3.960 0.001 0.000 0.463 34 G HA3 -0.243 3.717 3.960 0.001 0.000 0.463 34 G C 0.582 175.472 174.900 -0.018 0.000 1.394 34 G CA 0.295 45.386 45.100 -0.015 0.000 0.862 34 G HN 0.854 nan 8.290 nan 0.000 0.540 35 Q N -0.520 119.271 119.800 -0.015 0.000 2.170 35 Q HA -0.032 4.308 4.340 0.001 0.000 0.203 35 Q C 2.049 178.037 176.000 -0.019 0.000 0.976 35 Q CA 1.733 57.526 55.803 -0.015 0.000 0.858 35 Q CB -0.036 28.695 28.738 -0.012 0.000 0.907 35 Q HN 0.537 nan 8.270 nan 0.000 0.433 36 R N -0.485 120.003 120.500 -0.019 0.000 2.700 36 R HA 0.278 4.618 4.340 0.001 0.000 0.399 36 R C -0.148 176.137 176.300 -0.025 0.000 1.115 36 R CA -0.141 55.946 56.100 -0.022 0.000 1.058 36 R CB 1.340 31.630 30.300 -0.017 0.000 1.389 36 R HN 0.066 nan 8.270 nan 0.000 0.582 37 G N 0.166 108.948 108.800 -0.029 0.000 2.522 37 G HA2 0.558 4.519 3.960 0.001 0.000 0.304 37 G HA3 0.558 4.519 3.960 0.001 0.000 0.304 37 G C -0.267 174.606 174.900 -0.045 0.000 1.210 37 G CA -0.533 44.548 45.100 -0.032 0.000 0.960 37 G HN 0.244 nan 8.290 nan 0.000 0.497 38 A N -0.272 122.521 122.820 -0.045 0.000 2.466 38 A HA 0.522 4.842 4.320 0.001 0.000 0.238 38 A C 0.868 178.405 177.584 -0.079 0.000 1.074 38 A CA 0.122 52.123 52.037 -0.059 0.000 0.774 38 A CB -0.098 18.873 19.000 -0.047 0.000 1.015 38 A HN 0.638 nan 8.150 nan 0.000 0.498 39 T N 2.525 117.008 114.554 -0.119 0.000 2.907 39 T HA 0.401 4.751 4.350 0.001 0.000 0.298 39 T C 0.193 174.816 174.700 -0.129 0.000 1.017 39 T CA 0.059 62.059 62.100 -0.166 0.000 1.118 39 T CB 0.154 68.843 68.868 -0.299 0.000 0.948 39 T HN 0.393 nan 8.240 nan 0.000 0.531 40 L N 3.607 124.768 121.223 -0.103 0.000 2.312 40 L HA 0.272 4.613 4.340 0.001 0.000 0.281 40 L C 1.473 178.321 176.870 -0.036 0.000 1.070 40 L CA -0.704 54.105 54.840 -0.052 0.000 0.805 40 L CB 0.938 42.983 42.059 -0.022 0.000 1.174 40 L HN 0.550 nan 8.230 nan 0.000 0.434 41 L N 2.970 124.190 121.223 -0.005 0.000 2.127 41 L HA -0.238 4.103 4.340 0.001 0.000 0.211 41 L C 2.449 179.363 176.870 0.074 0.000 1.089 41 L CA 1.822 56.682 54.840 0.033 0.000 0.757 41 L CB -0.497 41.582 42.059 0.034 0.000 0.899 41 L HN 0.822 nan 8.230 nan 0.000 0.434 42 Q N -1.405 118.438 119.800 0.072 0.000 2.515 42 Q HA -0.133 4.208 4.340 0.001 0.000 0.212 42 Q C 0.252 176.358 176.000 0.178 0.000 0.970 42 Q CA 0.569 56.443 55.803 0.118 0.000 0.941 42 Q CB -0.554 28.241 28.738 0.095 0.000 0.998 42 Q HN 0.359 nan 8.270 nan 0.000 0.518 43 D N 1.202 121.671 120.400 0.116 0.000 2.498 43 D HA -0.042 4.598 4.640 0.001 0.000 0.229 43 D C 0.363 176.737 176.300 0.124 0.000 1.188 43 D CA -0.551 53.498 54.000 0.081 0.000 1.028 43 D CB -0.154 40.661 40.800 0.026 0.000 1.087 43 D HN 0.398 nan 8.370 nan 0.000 0.510 44 F N 1.882 121.885 119.950 0.089 0.000 2.293 44 F HA -0.023 4.505 4.527 0.001 0.000 0.300 44 F C 1.612 177.458 175.800 0.076 0.000 1.086 44 F CA 0.386 58.433 58.000 0.078 0.000 1.375 44 F CB -0.653 38.375 39.000 0.046 0.000 1.045 44 F HN 0.194 nan 8.300 nan 0.000 0.516 45 I N -0.266 119.831 120.570 -0.789 0.000 2.202 45 I HA -0.216 3.954 4.170 0.001 0.000 0.242 45 I C 2.504 178.526 176.117 -0.158 0.000 1.091 45 I CA 1.610 62.606 61.300 -0.507 0.000 1.368 45 I CB -0.681 37.000 38.000 -0.531 0.000 1.058 45 I HN 0.248 nan 8.210 nan 0.000 0.410 46 F N 2.107 121.952 119.950 -0.175 0.000 2.069 46 F HA -0.238 4.289 4.527 0.001 0.000 0.298 46 F C 2.739 178.520 175.800 -0.032 0.000 1.113 46 F CA 1.765 59.715 58.000 -0.084 0.000 1.214 46 F CB -0.266 38.695 39.000 -0.065 0.000 0.978 46 F HN -0.174 nan 8.300 nan 0.000 0.474 47 R N 0.044 120.584 120.500 0.066 0.000 2.092 47 R HA -0.151 4.190 4.340 0.001 0.000 0.231 47 R C 2.134 178.393 176.300 -0.069 0.000 1.119 47 R CA 1.528 57.628 56.100 -0.000 0.000 0.970 47 R CB -0.469 29.942 30.300 0.184 0.000 0.864 47 R HN 0.496 nan 8.270 nan 0.000 0.440 48 E N 1.142 121.334 120.200 -0.013 0.000 2.150 48 E HA -0.206 4.144 4.350 0.001 0.000 0.193 48 E C 1.737 178.305 176.600 -0.052 0.000 0.985 48 E CA 1.340 57.740 56.400 0.001 0.000 0.814 48 E CB -0.153 29.586 29.700 0.064 0.000 0.752 48 E HN 0.175 nan 8.360 nan 0.000 0.466 49 K N 0.322 120.649 120.400 -0.122 0.000 2.025 49 K HA -0.069 4.252 4.320 0.001 0.000 0.207 49 K C 1.904 178.425 176.600 -0.131 0.000 1.049 49 K CA 1.445 57.656 56.287 -0.127 0.000 0.933 49 K CB -0.040 32.359 32.500 -0.169 0.000 0.714 49 K HN 0.121 nan 8.250 nan 0.000 0.438 50 I N 1.568 121.961 120.570 -0.296 0.000 2.439 50 I HA -0.189 3.981 4.170 0.001 0.000 0.251 50 I C 2.508 178.624 176.117 -0.001 0.000 1.139 50 I CA 1.268 62.434 61.300 -0.224 0.000 1.438 50 I CB -1.150 36.513 38.000 -0.562 0.000 1.085 50 I HN 0.436 nan 8.210 nan 0.000 0.427 51 Q N 0.721 120.514 119.800 -0.011 0.000 2.079 51 Q HA -0.180 4.161 4.340 0.001 0.000 0.200 51 Q C 2.391 178.471 176.000 0.133 0.000 0.974 51 Q CA 1.272 57.136 55.803 0.101 0.000 0.840 51 Q CB 0.101 28.863 28.738 0.040 0.000 0.898 51 Q HN 0.250 nan 8.270 nan 0.000 0.430 52 R N -0.058 120.474 120.500 0.052 0.000 2.083 52 R HA -0.166 4.174 4.340 0.001 0.000 0.237 52 R C 2.131 178.457 176.300 0.044 0.000 1.137 52 R CA 1.384 57.506 56.100 0.037 0.000 0.951 52 R CB -1.069 29.239 30.300 0.013 0.000 0.851 52 R HN 0.363 nan 8.270 nan 0.000 0.434 53 F N 2.576 122.498 119.950 -0.047 0.000 2.069 53 F HA -0.230 4.297 4.527 0.001 0.000 0.298 53 F C 1.685 177.454 175.800 -0.052 0.000 1.113 53 F CA 1.818 59.781 58.000 -0.063 0.000 1.214 53 F CB -0.272 38.677 39.000 -0.085 0.000 0.978 53 F HN -0.017 nan 8.300 nan 0.000 0.474 54 D N -1.206 119.159 120.400 -0.058 0.000 2.265 54 D HA -0.163 4.477 4.640 0.001 0.000 0.208 54 D C 1.424 177.495 176.300 -0.383 0.000 0.977 54 D CA 1.360 55.252 54.000 -0.180 0.000 0.871 54 D CB -0.406 40.374 40.800 -0.033 0.000 0.925 54 D HN 0.532 nan 8.370 nan 0.000 0.485 55 H N -0.425 118.528 119.070 -0.195 0.000 2.581 55 H HA 0.201 4.757 4.556 0.001 0.000 0.275 55 H C 1.004 176.214 175.328 -0.197 0.000 1.126 55 H CA -0.087 55.868 56.048 -0.154 0.000 1.097 55 H CB 0.706 30.412 29.762 -0.095 0.000 1.626 55 H HN 0.253 nan 8.280 nan 0.000 0.565 56 E N 0.799 120.854 120.200 -0.241 0.000 2.153 56 E HA -0.069 4.281 4.350 0.001 0.000 0.194 56 E C 0.551 177.002 176.600 -0.250 0.000 0.988 56 E CA 0.642 56.862 56.400 -0.300 0.000 0.811 56 E CB 0.394 29.846 29.700 -0.412 0.000 0.746 56 E HN 0.182 nan 8.360 nan 0.000 0.466 57 R N 0.935 121.331 120.500 -0.173 0.000 2.459 57 R HA 0.237 4.578 4.340 0.001 0.000 0.281 57 R C 0.147 176.468 176.300 0.035 0.000 1.050 57 R CA -0.263 55.803 56.100 -0.056 0.000 1.055 57 R CB 1.123 31.377 30.300 -0.076 0.000 1.045 57 R HN -0.038 nan 8.270 nan 0.000 0.495 58 V N -0.686 119.307 119.914 0.132 0.000 2.960 58 V HA 0.627 4.747 4.120 0.001 0.000 0.315 58 V C -2.378 173.762 176.094 0.077 0.000 1.087 58 V CA -2.692 59.677 62.300 0.116 0.000 0.982 58 V CB 1.621 33.551 31.823 0.179 0.000 1.039 58 V HN 0.526 nan 8.190 nan 0.000 0.437 59 P HA 0.171 nan 4.420 nan 0.000 0.265 59 P C -0.176 177.146 177.300 0.036 0.000 1.193 59 P CA 0.072 63.189 63.100 0.028 0.000 0.765 59 P CB 0.220 31.927 31.700 0.012 0.000 0.823 60 E N 3.099 123.322 120.200 0.039 0.000 2.422 60 E HA 0.063 4.413 4.350 0.001 0.000 0.260 60 E C -0.466 176.152 176.600 0.030 0.000 1.108 60 E CA -0.628 55.799 56.400 0.046 0.000 0.943 60 E CB 0.517 30.249 29.700 0.053 0.000 0.961 60 E HN 0.270 nan 8.360 nan 0.000 0.443 61 R N 0.840 121.361 120.500 0.035 0.000 2.638 61 R HA 0.005 4.345 4.340 0.001 0.000 0.268 61 R C 1.030 177.352 176.300 0.036 0.000 1.006 61 R CA 0.523 56.638 56.100 0.026 0.000 1.088 61 R CB 0.321 30.652 30.300 0.053 0.000 0.950 61 R HN 0.770 nan 8.270 nan 0.000 0.419 62 A N 3.177 126.009 122.820 0.020 0.000 2.015 62 A HA -0.029 4.292 4.320 0.001 0.000 0.219 62 A C 0.784 178.407 177.584 0.065 0.000 1.163 62 A CA 1.313 53.371 52.037 0.035 0.000 0.646 62 A CB -0.087 18.930 19.000 0.028 0.000 0.806 62 A HN 0.487 nan 8.150 nan 0.000 0.448 63 V N -7.101 112.884 119.914 0.118 0.000 3.078 63 V HA 0.562 4.682 4.120 0.001 0.000 0.311 63 V C 0.197 176.442 176.094 0.251 0.000 1.138 63 V CA -0.689 61.708 62.300 0.162 0.000 1.007 63 V CB 1.100 33.096 31.823 0.289 0.000 1.045 63 V HN 0.477 nan 8.190 nan 0.000 0.432 64 H N 0.276 119.394 119.070 0.080 0.000 2.862 64 H HA -0.214 4.343 4.556 0.000 0.000 0.290 64 H C 1.504 176.871 175.328 0.065 0.000 1.211 64 H CA 0.786 56.877 56.048 0.072 0.000 1.140 64 H CB -1.220 28.577 29.762 0.058 0.000 1.341 64 H HN 1.199 nan 8.280 nan 0.000 0.392 65 A N 0.729 123.630 122.820 0.135 0.000 1.972 65 A HA -0.103 4.218 4.320 0.001 0.000 0.219 65 A C 1.707 179.370 177.584 0.133 0.000 1.169 65 A CA 1.368 53.473 52.037 0.114 0.000 0.635 65 A CB -0.045 19.004 19.000 0.081 0.000 0.810 65 A HN 0.258 nan 8.150 nan 0.000 0.446 66 R N 0.053 120.635 120.500 0.136 0.000 2.198 66 R HA 0.518 4.858 4.340 0.001 0.000 0.339 66 R C -0.068 176.352 176.300 0.201 0.000 1.020 66 R CA 0.733 56.932 56.100 0.164 0.000 0.864 66 R CB 0.275 30.665 30.300 0.151 0.000 1.105 66 R HN 0.368 nan 8.270 nan 0.000 0.463 67 G N 0.788 109.720 108.800 0.220 0.000 2.608 67 G HA2 0.525 4.486 3.960 0.001 0.000 0.291 67 G HA3 0.525 4.486 3.960 0.001 0.000 0.291 67 G C -1.503 173.523 174.900 0.210 0.000 1.425 67 G CA -0.535 44.670 45.100 0.175 0.000 0.787 67 G HN 0.422 nan 8.290 nan 0.000 0.484 68 T N -0.746 113.841 114.554 0.056 0.000 2.952 68 T HA 0.717 5.068 4.350 0.001 0.000 0.305 68 T C -0.029 174.595 174.700 -0.127 0.000 1.064 68 T CA -0.056 62.109 62.100 0.109 0.000 1.008 68 T CB 1.894 70.893 68.868 0.219 0.000 1.078 68 T HN 1.120 nan 8.240 nan 0.000 0.459 69 G N 0.583 109.302 108.800 -0.134 0.000 2.498 69 G HA2 0.834 4.795 3.960 0.001 0.000 0.312 69 G HA3 0.834 4.795 3.960 0.001 0.000 0.312 69 G C -1.430 173.224 174.900 -0.410 0.000 1.230 69 G CA -0.832 43.991 45.100 -0.462 0.000 0.968 69 G HN 1.003 nan 8.290 nan 0.000 0.481 70 A N 0.819 123.138 122.820 -0.835 0.000 2.574 70 A HA 0.707 5.028 4.320 0.001 0.000 0.297 70 A C -0.796 176.413 177.584 -0.625 0.000 1.062 70 A CA -0.763 51.008 52.037 -0.443 0.000 0.686 70 A CB 1.049 19.940 19.000 -0.180 0.000 1.285 70 A HN 0.741 nan 8.150 nan 0.000 0.403 71 H N 0.091 119.126 119.070 -0.059 0.000 2.547 71 H HA 0.647 5.203 4.556 0.001 0.000 0.362 71 H C 0.709 176.002 175.328 -0.058 0.000 1.181 71 H CA 1.080 57.169 56.048 0.069 0.000 1.376 71 H CB 1.765 31.625 29.762 0.163 0.000 1.488 71 H HN 1.098 nan 8.280 nan 0.000 0.583 72 G N -0.097 108.760 108.800 0.094 0.000 2.578 72 G HA2 0.338 4.298 3.960 0.001 0.000 0.302 72 G HA3 0.338 4.298 3.960 0.001 0.000 0.302 72 G C -1.355 173.579 174.900 0.056 0.000 1.243 72 G CA -0.470 44.635 45.100 0.008 0.000 0.843 72 G HN 0.523 nan 8.290 nan 0.000 0.486 73 T N 0.275 114.867 114.554 0.063 0.000 2.971 73 T HA 0.518 4.869 4.350 0.001 0.000 0.304 73 T C -1.789 173.046 174.700 0.225 0.000 1.038 73 T CA -0.226 61.954 62.100 0.133 0.000 1.007 73 T CB 1.766 70.682 68.868 0.080 0.000 1.055 73 T HN 0.538 nan 8.240 nan 0.000 0.451 74 F N 2.621 122.676 119.950 0.174 0.000 2.421 74 F HA 0.658 5.185 4.527 0.000 0.000 0.337 74 F C -0.091 175.876 175.800 0.279 0.000 1.105 74 F CA -0.270 57.902 58.000 0.286 0.000 1.049 74 F CB 1.346 40.639 39.000 0.489 0.000 1.139 74 F HN 0.418 nan 8.300 nan 0.000 0.479 75 T N 4.291 118.472 114.554 -0.622 0.000 2.841 75 T HA 0.252 4.602 4.350 0.001 0.000 0.285 75 T C -0.601 173.677 174.700 -0.702 0.000 0.991 75 T CA -0.606 61.270 62.100 -0.374 0.000 0.966 75 T CB 1.326 70.145 68.868 -0.080 0.000 0.962 75 T HN 0.620 nan 8.240 nan 0.000 0.438 76 S N 1.643 117.209 115.700 -0.223 0.000 2.565 76 S HA 0.232 4.702 4.470 0.001 0.000 0.276 76 S C 0.239 174.987 174.600 0.246 0.000 1.326 76 S CA -0.376 57.858 58.200 0.058 0.000 1.045 76 S CB 0.161 63.539 63.200 0.298 0.000 0.918 76 S HN 0.605 nan 8.310 nan 0.000 0.505 77 Y N 2.896 123.332 120.300 0.228 0.000 2.482 77 Y HA 0.361 4.911 4.550 0.000 0.000 0.270 77 Y C 1.350 177.285 175.900 0.058 0.000 1.152 77 Y CA -0.065 58.133 58.100 0.165 0.000 1.292 77 Y CB -0.243 38.360 38.460 0.238 0.000 1.070 77 Y HN 0.738 nan 8.280 nan 0.000 0.528 78 G N -1.086 107.792 108.800 0.130 0.000 2.645 78 G HA2 0.247 4.207 3.960 0.001 0.000 0.292 78 G HA3 0.247 4.207 3.960 0.001 0.000 0.292 78 G C -1.904 172.716 174.900 -0.467 0.000 1.415 78 G CA -0.751 44.081 45.100 -0.447 0.000 0.785 78 G HN -0.132 nan 8.290 nan 0.000 0.483 79 D N -0.284 119.825 120.400 -0.486 0.000 2.380 79 D HA 0.211 4.851 4.640 0.001 0.000 0.230 79 D C -0.244 175.816 176.300 -0.400 0.000 1.154 79 D CA -0.694 53.126 54.000 -0.301 0.000 0.859 79 D CB 0.615 41.307 40.800 -0.179 0.000 1.045 79 D HN 0.362 nan 8.370 nan 0.000 0.495 80 W N 2.455 123.726 121.300 -0.049 0.000 3.325 80 W HA 0.070 4.730 4.660 -0.001 0.000 0.370 80 W C 2.186 178.663 176.519 -0.070 0.000 1.169 80 W CA -0.242 57.065 57.345 -0.062 0.000 1.874 80 W CB 0.052 29.454 29.460 -0.096 0.000 1.076 80 W HN 0.438 nan 8.180 nan 0.000 0.684 81 S N -0.159 115.582 115.700 0.068 0.000 2.442 81 S HA -0.220 4.251 4.470 0.001 0.000 0.236 81 S C 1.524 176.147 174.600 0.038 0.000 1.007 81 S CA 1.298 59.520 58.200 0.036 0.000 0.965 81 S CB -0.289 62.913 63.200 0.004 0.000 0.773 81 S HN 0.244 nan 8.310 nan 0.000 0.504 82 N N 0.800 119.528 118.700 0.046 0.000 2.467 82 N HA 0.172 4.913 4.740 0.001 0.000 0.184 82 N C 1.204 176.751 175.510 0.062 0.000 1.106 82 N CA 0.476 53.551 53.050 0.042 0.000 0.892 82 N CB 0.012 38.516 38.487 0.029 0.000 0.969 82 N HN 0.459 nan 8.380 nan 0.000 0.454 83 L N -1.412 119.870 121.223 0.098 0.000 2.445 83 L HA 0.309 4.649 4.340 0.001 0.000 0.207 83 L C 0.339 177.218 176.870 0.014 0.000 1.053 83 L CA 0.954 55.839 54.840 0.074 0.000 0.841 83 L CB 0.258 42.398 42.059 0.135 0.000 1.074 83 L HN -0.082 nan 8.230 nan 0.000 0.479 84 T N -1.804 112.759 114.554 0.016 0.000 2.932 84 T HA 0.554 4.905 4.350 0.001 0.000 0.318 84 T C 0.217 174.889 174.700 -0.046 0.000 1.265 84 T CA -0.109 61.960 62.100 -0.052 0.000 1.036 84 T CB 1.572 70.367 68.868 -0.121 0.000 1.209 84 T HN 0.159 nan 8.240 nan 0.000 0.484 85 A N 2.528 125.311 122.820 -0.062 0.000 2.238 85 A HA 0.635 4.955 4.320 0.001 0.000 0.208 85 A C 1.358 178.898 177.584 -0.073 0.000 1.177 85 A CA 0.563 52.579 52.037 -0.036 0.000 0.804 85 A CB -0.738 18.272 19.000 0.018 0.000 0.823 85 A HN 1.296 nan 8.150 nan 0.000 0.482 86 A N 0.237 122.968 122.820 -0.149 0.000 2.545 86 A HA 0.309 4.630 4.320 0.001 0.000 0.253 86 A C 1.482 178.981 177.584 -0.142 0.000 1.074 86 A CA 0.659 52.584 52.037 -0.188 0.000 0.760 86 A CB -0.032 18.751 19.000 -0.362 0.000 1.005 86 A HN 0.481 nan 8.150 nan 0.000 0.506 87 S N 2.216 117.909 115.700 -0.012 0.000 2.399 87 S HA -0.158 4.312 4.470 0.001 0.000 0.231 87 S C 1.516 176.167 174.600 0.085 0.000 1.022 87 S CA 1.887 60.110 58.200 0.040 0.000 0.983 87 S CB -0.591 62.655 63.200 0.077 0.000 0.803 87 S HN 1.132 nan 8.310 nan 0.000 0.480 88 F N 0.588 120.527 119.950 -0.019 0.000 2.546 88 F HA 0.311 4.838 4.527 0.001 0.000 0.298 88 F C 1.019 176.910 175.800 0.151 0.000 1.120 88 F CA 0.478 58.511 58.000 0.055 0.000 1.456 88 F CB -0.356 38.627 39.000 -0.027 0.000 1.088 88 F HN 0.123 nan 8.300 nan 0.000 0.572 89 L N 0.806 121.750 121.223 -0.465 0.000 2.965 89 L HA 0.205 4.545 4.340 0.001 0.000 0.254 89 L C 1.791 178.689 176.870 0.047 0.000 1.220 89 L CA 0.317 55.021 54.840 -0.227 0.000 1.023 89 L CB -0.153 41.616 42.059 -0.484 0.000 1.355 89 L HN 0.319 nan 8.230 nan 0.000 0.545 90 S N -0.841 114.875 115.700 0.027 0.000 2.528 90 S HA 0.361 4.832 4.470 0.001 0.000 0.219 90 S C 0.727 175.337 174.600 0.016 0.000 0.985 90 S CA 0.173 58.387 58.200 0.024 0.000 0.914 90 S CB 0.338 63.551 63.200 0.022 0.000 0.776 90 S HN 0.237 nan 8.310 nan 0.000 0.526 91 A N 0.674 123.517 122.820 0.039 0.000 2.566 91 A HA 0.595 4.916 4.320 0.001 0.000 0.297 91 A C -0.818 176.787 177.584 0.035 0.000 1.059 91 A CA -0.701 51.344 52.037 0.013 0.000 0.691 91 A CB 0.905 19.921 19.000 0.027 0.000 1.282 91 A HN 0.297 nan 8.150 nan 0.000 0.401 92 E N 0.617 120.812 120.200 -0.009 0.000 2.417 92 E HA 0.371 4.722 4.350 0.001 0.000 0.261 92 E C 1.290 177.922 176.600 0.053 0.000 1.000 92 E CA 1.470 57.885 56.400 0.025 0.000 0.919 92 E CB 0.207 29.893 29.700 -0.023 0.000 0.955 92 E HN 1.937 nan 8.360 nan 0.000 0.455 93 G N 4.210 113.064 108.800 0.091 0.000 2.195 93 G HA2 -0.336 3.624 3.960 0.001 0.000 0.246 93 G HA3 -0.336 3.624 3.960 0.001 0.000 0.246 93 G C 0.302 175.258 174.900 0.094 0.000 0.984 93 G CA 0.356 45.506 45.100 0.083 0.000 0.633 93 G HN 0.575 nan 8.290 nan 0.000 0.525 94 K N 1.502 121.972 120.400 0.117 0.000 2.416 94 K HA 0.385 4.705 4.320 0.001 0.000 0.283 94 K C 0.114 176.830 176.600 0.193 0.000 1.037 94 K CA 0.096 56.472 56.287 0.148 0.000 0.995 94 K CB 0.174 32.775 32.500 0.169 0.000 0.938 94 K HN 0.441 nan 8.250 nan 0.000 0.475 95 E N 2.306 122.616 120.200 0.183 0.000 2.204 95 E HA 0.227 4.577 4.350 0.001 0.000 0.276 95 E C -1.016 175.748 176.600 0.274 0.000 0.974 95 E CA -0.636 55.890 56.400 0.210 0.000 0.815 95 E CB 2.015 31.801 29.700 0.143 0.000 1.119 95 E HN 0.482 nan 8.360 nan 0.000 0.393 96 T N 3.656 118.431 114.554 0.368 0.000 2.921 96 T HA 0.348 4.698 4.350 0.001 0.000 0.297 96 T C -2.617 172.270 174.700 0.313 0.000 1.013 96 T CA -1.611 60.705 62.100 0.359 0.000 0.990 96 T CB 1.726 70.886 68.868 0.486 0.000 1.023 96 T HN 0.197 nan 8.240 nan 0.000 0.447 97 P HA 0.376 nan 4.420 nan 0.000 0.272 97 P C -0.721 176.773 177.300 0.322 0.000 1.223 97 P CA -0.287 62.946 63.100 0.222 0.000 0.784 97 P CB 0.517 32.279 31.700 0.105 0.000 0.923 98 M N 1.474 121.225 119.600 0.251 0.000 2.550 98 M HA 0.514 4.995 4.480 0.001 0.000 0.292 98 M C -1.207 175.229 176.300 0.226 0.000 1.221 98 M CA -0.608 54.757 55.300 0.107 0.000 0.873 98 M CB 2.439 34.945 32.600 -0.156 0.000 1.727 98 M HN 0.204 nan 8.290 nan 0.000 0.459 99 F N 0.347 120.246 119.950 -0.086 0.000 2.547 99 F HA 0.656 5.183 4.527 0.001 0.000 0.316 99 F C -1.042 174.581 175.800 -0.294 0.000 1.121 99 F CA -0.139 57.740 58.000 -0.202 0.000 0.911 99 F CB 1.937 40.839 39.000 -0.165 0.000 1.179 99 F HN 0.423 nan 8.300 nan 0.000 0.443 100 T N 5.862 119.834 114.554 -0.971 0.000 2.848 100 T HA 0.482 4.832 4.350 0.001 0.000 0.285 100 T C -1.141 172.847 174.700 -1.186 0.000 0.995 100 T CA -0.680 60.817 62.100 -1.005 0.000 0.970 100 T CB 1.692 69.843 68.868 -1.196 0.000 0.976 100 T HN 0.645 nan 8.240 nan 0.000 0.441 101 R N 2.241 122.159 120.500 -0.971 0.000 2.534 101 R HA 0.639 4.979 4.340 0.001 0.000 0.301 101 R C -1.469 174.235 176.300 -0.994 0.000 0.961 101 R CA -0.585 55.039 56.100 -0.793 0.000 0.871 101 R CB 0.771 30.919 30.300 -0.253 0.000 1.170 101 R HN 0.431 nan 8.270 nan 0.000 0.446 102 F N 1.435 120.965 119.950 -0.700 0.000 2.470 102 F HA 0.582 5.109 4.527 0.000 0.000 0.329 102 F C 0.346 175.861 175.800 -0.474 0.000 1.072 102 F CA -0.219 57.317 58.000 -0.774 0.000 0.989 102 F CB 2.188 40.273 39.000 -1.525 0.000 1.193 102 F HN 0.628 nan 8.300 nan 0.000 0.481 103 S N -1.416 114.337 115.700 0.088 0.000 2.611 103 S HA 0.637 5.107 4.470 0.001 0.000 0.268 103 S C -0.641 174.147 174.600 0.314 0.000 1.156 103 S CA -0.832 57.508 58.200 0.232 0.000 0.817 103 S CB 1.212 64.561 63.200 0.249 0.000 1.122 103 S HN 0.730 nan 8.310 nan 0.000 0.466 104 T N -1.314 113.352 114.554 0.185 0.000 2.891 104 T HA 0.703 5.053 4.350 0.001 0.000 0.294 104 T C 0.865 175.463 174.700 -0.170 0.000 1.065 104 T CA -0.034 62.037 62.100 -0.049 0.000 0.936 104 T CB 0.219 69.077 68.868 -0.016 0.000 1.415 104 T HN 0.668 nan 8.240 nan 0.000 0.572 105 V N -0.360 119.403 119.914 -0.252 0.000 2.950 105 V HA 0.347 4.467 4.120 0.001 0.000 0.231 105 V C 2.740 178.737 176.094 -0.160 0.000 1.205 105 V CA 0.715 62.773 62.300 -0.403 0.000 1.239 105 V CB -0.828 30.811 31.823 -0.306 0.000 1.050 105 V HN 0.999 nan 8.190 nan 0.000 0.498 106 A N 0.537 123.311 122.820 -0.077 0.000 1.935 106 A HA 0.360 4.680 4.320 0.001 0.000 0.214 106 A C 1.577 179.158 177.584 -0.006 0.000 1.178 106 A CA 1.001 53.016 52.037 -0.037 0.000 0.640 106 A CB -0.834 18.160 19.000 -0.010 0.000 0.825 106 A HN 0.553 nan 8.150 nan 0.000 0.447 107 G N 0.017 108.827 108.800 0.016 0.000 2.491 107 G HA2 0.409 4.370 3.960 0.001 0.000 0.242 107 G HA3 0.409 4.370 3.960 0.001 0.000 0.242 107 G C 0.159 175.082 174.900 0.038 0.000 1.266 107 G CA 0.132 45.254 45.100 0.037 0.000 0.844 107 G HN 0.256 nan 8.290 nan 0.000 0.571 108 S N -0.167 115.555 115.700 0.036 0.000 2.617 108 S HA 0.199 4.669 4.470 0.001 0.000 0.259 108 S C 0.889 175.525 174.600 0.059 0.000 1.301 108 S CA -0.523 57.702 58.200 0.041 0.000 0.984 108 S CB 0.420 63.636 63.200 0.027 0.000 0.954 108 S HN 0.544 nan 8.310 nan 0.000 0.572 109 R N 0.781 121.319 120.500 0.064 0.000 2.488 109 R HA 0.229 4.569 4.340 0.001 0.000 0.317 109 R C 1.177 177.511 176.300 0.056 0.000 0.941 109 R CA 0.871 57.014 56.100 0.073 0.000 1.076 109 R CB -0.573 29.773 30.300 0.076 0.000 0.917 109 R HN 0.972 nan 8.270 nan 0.000 0.407 110 G N 1.450 110.286 108.800 0.060 0.000 2.229 110 G HA2 -0.274 3.687 3.960 0.001 0.000 0.189 110 G HA3 -0.274 3.687 3.960 0.001 0.000 0.189 110 G C 0.167 175.098 174.900 0.051 0.000 1.000 110 G CA -0.031 45.096 45.100 0.045 0.000 0.663 110 G HN 0.680 nan 8.290 nan 0.000 0.493 111 S N 0.411 116.148 115.700 0.062 0.000 2.589 111 S HA 0.699 5.169 4.470 0.001 0.000 0.265 111 S C 0.823 175.475 174.600 0.086 0.000 1.342 111 S CA 0.518 58.758 58.200 0.068 0.000 1.005 111 S CB 1.612 64.854 63.200 0.071 0.000 0.909 111 S HN 1.906 nan 8.310 nan 0.000 0.555 112 A N 1.100 123.970 122.820 0.084 0.000 2.440 112 A HA 0.272 4.593 4.320 0.001 0.000 0.251 112 A C 0.908 178.573 177.584 0.136 0.000 1.089 112 A CA -0.464 51.628 52.037 0.091 0.000 0.779 112 A CB -0.292 18.743 19.000 0.058 0.000 1.022 112 A HN 0.892 nan 8.150 nan 0.000 0.492 113 D N 1.143 121.639 120.400 0.160 0.000 2.133 113 D HA -0.136 4.505 4.640 0.001 0.000 0.195 113 D C 1.849 178.292 176.300 0.238 0.000 0.997 113 D CA 2.440 56.572 54.000 0.220 0.000 0.840 113 D CB -0.207 40.719 40.800 0.211 0.000 0.947 113 D HN 0.725 nan 8.370 nan 0.000 0.452 114 T N -1.787 112.878 114.554 0.185 0.000 3.312 114 T HA 0.551 4.901 4.350 0.001 0.000 0.251 114 T C 0.565 175.379 174.700 0.190 0.000 1.012 114 T CA -0.272 61.948 62.100 0.199 0.000 0.925 114 T CB -0.231 68.683 68.868 0.077 0.000 1.049 114 T HN 0.118 nan 8.240 nan 0.000 0.583 115 A N 1.723 124.668 122.820 0.209 0.000 2.520 115 A HA 0.351 4.671 4.320 0.001 0.000 0.235 115 A C 0.711 178.497 177.584 0.337 0.000 1.065 115 A CA -0.546 51.645 52.037 0.257 0.000 0.764 115 A CB 0.033 19.150 19.000 0.195 0.000 1.002 115 A HN 0.689 nan 8.150 nan 0.000 0.502 116 R N 1.268 122.022 120.500 0.424 0.000 2.347 116 R HA 0.342 4.682 4.340 0.001 0.000 0.304 116 R C -1.263 175.166 176.300 0.214 0.000 1.072 116 R CA 0.078 56.382 56.100 0.341 0.000 0.980 116 R CB 0.288 30.717 30.300 0.214 0.000 0.986 116 R HN 0.864 nan 8.270 nan 0.000 0.448 117 D N 2.080 122.587 120.400 0.180 0.000 2.710 117 D HA 0.123 4.763 4.640 0.001 0.000 0.276 117 D C -1.096 175.222 176.300 0.031 0.000 1.267 117 D CA -0.469 53.560 54.000 0.049 0.000 0.772 117 D CB 1.771 42.516 40.800 -0.092 0.000 1.299 117 D HN 0.200 nan 8.370 nan 0.000 0.421 118 V N 1.582 121.534 119.914 0.063 0.000 2.843 118 V HA 0.195 4.315 4.120 0.001 0.000 0.305 118 V C -0.126 175.944 176.094 -0.041 0.000 1.065 118 V CA 0.430 62.801 62.300 0.117 0.000 1.116 118 V CB 0.529 32.444 31.823 0.153 0.000 0.968 118 V HN 0.471 nan 8.190 nan 0.000 0.487 119 H N 1.024 120.245 119.070 0.251 0.000 2.495 119 H HA 0.607 5.163 4.556 0.000 0.000 0.348 119 H C 0.503 176.038 175.328 0.346 0.000 1.113 119 H CA 0.173 56.403 56.048 0.303 0.000 1.195 119 H CB 1.482 31.454 29.762 0.350 0.000 1.521 119 H HN 0.879 nan 8.280 nan 0.000 0.509 120 G N 0.940 110.022 108.800 0.470 0.000 2.503 120 G HA2 0.338 4.299 3.960 0.001 0.000 0.257 120 G HA3 0.338 4.299 3.960 0.001 0.000 0.257 120 G C -1.153 173.870 174.900 0.205 0.000 1.214 120 G CA -0.091 45.207 45.100 0.331 0.000 0.839 120 G HN 0.484 nan 8.290 nan 0.000 0.559 121 F N 1.697 121.552 119.950 -0.159 0.000 3.167 121 F HA 0.564 5.092 4.527 0.002 0.000 0.389 121 F C -0.016 175.438 175.800 -0.577 0.000 1.233 121 F CA -1.356 56.446 58.000 -0.330 0.000 1.238 121 F CB 0.865 39.784 39.000 -0.134 0.000 1.971 121 F HN 0.659 nan 8.300 nan 0.000 0.651 122 A N 2.890 125.305 122.820 -0.675 0.000 2.258 122 A HA 0.697 5.018 4.320 0.001 0.000 0.316 122 A C -0.241 176.744 177.584 -0.998 0.000 1.279 122 A CA -0.229 51.208 52.037 -1.001 0.000 0.876 122 A CB 0.255 18.224 19.000 -1.719 0.000 1.170 122 A HN 0.604 nan 8.150 nan 0.000 0.520 123 T N 0.337 114.507 114.554 -0.639 0.000 2.809 123 T HA 0.616 4.966 4.350 0.001 0.000 0.284 123 T C -0.371 174.087 174.700 -0.404 0.000 0.992 123 T CA -0.705 61.053 62.100 -0.571 0.000 0.957 123 T CB 1.116 69.604 68.868 -0.632 0.000 0.942 123 T HN 0.724 nan 8.240 nan 0.000 0.439 124 R N 2.910 123.242 120.500 -0.281 0.000 2.346 124 R HA 0.573 4.913 4.340 0.001 0.000 0.311 124 R C -1.425 174.526 176.300 -0.580 0.000 0.983 124 R CA -0.828 55.052 56.100 -0.366 0.000 0.880 124 R CB 0.548 30.563 30.300 -0.474 0.000 1.100 124 R HN 0.615 nan 8.270 nan 0.000 0.453 125 F N 4.586 124.266 119.950 -0.450 0.000 2.388 125 F HA 0.289 4.817 4.527 0.001 0.000 0.358 125 F C -0.524 175.078 175.800 -0.330 0.000 1.122 125 F CA -0.670 57.110 58.000 -0.368 0.000 1.056 125 F CB 1.017 39.658 39.000 -0.598 0.000 1.155 125 F HN 0.478 nan 8.300 nan 0.000 0.461 126 Y N 1.736 122.042 120.300 0.010 0.000 2.623 126 Y HA 0.166 4.717 4.550 0.001 0.000 0.341 126 Y C 1.232 177.128 175.900 -0.006 0.000 1.292 126 Y CA -0.804 57.268 58.100 -0.047 0.000 1.840 126 Y CB -0.581 37.820 38.460 -0.098 0.000 1.865 126 Y HN 0.559 nan 8.280 nan 0.000 0.440 127 T N -3.262 111.352 114.554 0.101 0.000 2.828 127 T HA 0.012 4.363 4.350 0.001 0.000 0.290 127 T C 1.035 175.788 174.700 0.088 0.000 1.019 127 T CA -0.585 61.581 62.100 0.109 0.000 1.031 127 T CB 0.977 69.893 68.868 0.080 0.000 1.001 127 T HN 0.574 nan 8.240 nan 0.000 0.531 128 D N -0.346 120.115 120.400 0.103 0.000 2.378 128 D HA -0.023 4.617 4.640 0.001 0.000 0.227 128 D C 0.748 177.082 176.300 0.057 0.000 1.012 128 D CA 0.424 54.467 54.000 0.071 0.000 0.905 128 D CB -0.018 40.830 40.800 0.080 0.000 0.895 128 D HN 0.652 nan 8.370 nan 0.000 0.532 129 E N 0.118 120.353 120.200 0.059 0.000 2.887 129 E HA 0.436 4.786 4.350 0.001 0.000 0.206 129 E C 0.470 177.089 176.600 0.032 0.000 0.983 129 E CA -0.124 56.304 56.400 0.048 0.000 1.141 129 E CB 0.781 30.513 29.700 0.054 0.000 1.061 129 E HN 0.341 nan 8.360 nan 0.000 0.468 130 G N 1.437 110.247 108.800 0.016 0.000 2.484 130 G HA2 -0.172 3.789 3.960 0.001 0.000 0.685 130 G HA3 -0.172 3.789 3.960 0.001 0.000 0.685 130 G C -0.796 174.085 174.900 -0.031 0.000 1.294 130 G CA -1.166 43.926 45.100 -0.013 0.000 0.879 130 G HN 0.029 nan 8.290 nan 0.000 0.646 131 N N -0.333 118.305 118.700 -0.104 0.000 2.483 131 N HA 0.473 5.214 4.740 0.001 0.000 0.264 131 N C -0.656 174.833 175.510 -0.034 0.000 1.197 131 N CA 0.224 53.166 53.050 -0.181 0.000 0.927 131 N CB 0.682 38.914 38.487 -0.425 0.000 1.065 131 N HN 0.529 nan 8.380 nan 0.000 0.461 132 F N 2.264 122.089 119.950 -0.209 0.000 2.477 132 F HA 0.357 4.884 4.527 0.000 0.000 0.335 132 F C -0.946 174.801 175.800 -0.088 0.000 1.130 132 F CA -1.395 56.500 58.000 -0.175 0.000 0.948 132 F CB 0.922 39.706 39.000 -0.360 0.000 1.154 132 F HN 0.257 nan 8.300 nan 0.000 0.439 133 D N 7.047 127.215 120.400 -0.387 0.000 2.308 133 D HA 0.406 5.047 4.640 0.001 0.000 0.242 133 D C -0.341 175.533 176.300 -0.711 0.000 1.059 133 D CA 0.080 53.847 54.000 -0.388 0.000 0.830 133 D CB 2.253 43.042 40.800 -0.019 0.000 1.161 133 D HN 0.440 nan 8.370 nan 0.000 0.494 134 I N 2.041 122.208 120.570 -0.672 0.000 2.330 134 I HA 0.150 4.320 4.170 0.001 0.000 0.286 134 I C -0.201 175.687 176.117 -0.382 0.000 1.025 134 I CA -0.796 60.144 61.300 -0.599 0.000 1.197 134 I CB 1.378 38.999 38.000 -0.632 0.000 1.358 134 I HN -0.024 nan 8.210 nan 0.000 0.467 135 V N 6.502 126.215 119.914 -0.335 0.000 2.258 135 V HA 0.419 4.540 4.120 0.001 0.000 0.258 135 V C 0.867 176.814 176.094 -0.245 0.000 1.121 135 V CA -0.238 61.841 62.300 -0.368 0.000 0.942 135 V CB 0.180 31.762 31.823 -0.401 0.000 1.170 135 V HN 0.864 nan 8.190 nan 0.000 0.487 136 G N 3.227 111.906 108.800 -0.201 0.000 2.753 136 G HA2 0.648 4.609 3.960 0.001 0.000 0.285 136 G HA3 0.648 4.609 3.960 0.001 0.000 0.285 136 G C -0.798 174.094 174.900 -0.013 0.000 1.344 136 G CA -0.609 44.434 45.100 -0.095 0.000 1.050 136 G HN 0.492 nan 8.290 nan 0.000 0.532 137 N N -0.934 117.805 118.700 0.065 0.000 2.697 137 N HA 0.206 4.946 4.740 0.001 0.000 0.272 137 N C 0.380 176.046 175.510 0.259 0.000 1.381 137 N CA -0.741 52.424 53.050 0.192 0.000 0.797 137 N CB 1.533 40.117 38.487 0.161 0.000 1.523 137 N HN 0.543 nan 8.380 nan 0.000 0.518 138 N N 0.318 119.232 118.700 0.356 0.000 2.449 138 N HA 0.067 4.808 4.740 0.001 0.000 0.191 138 N C -0.458 175.255 175.510 0.338 0.000 1.161 138 N CA 0.412 53.709 53.050 0.412 0.000 0.863 138 N CB 0.536 39.292 38.487 0.449 0.000 0.980 138 N HN 0.484 nan 8.380 nan 0.000 0.458 139 I N 1.054 121.636 120.570 0.021 0.000 2.533 139 I HA 0.268 4.438 4.170 0.001 0.000 0.290 139 I C -1.811 173.698 176.117 -1.012 0.000 1.056 139 I CA -2.287 58.624 61.300 -0.649 0.000 1.057 139 I CB 3.042 40.734 38.000 -0.514 0.000 1.240 139 I HN -0.259 nan 8.210 nan 0.000 0.423 140 P HA 0.010 nan 4.420 nan 0.000 0.245 140 P C -0.058 176.693 177.300 -0.916 0.000 1.206 140 P CA 0.548 62.785 63.100 -1.439 0.000 0.781 140 P CB 0.248 30.902 31.700 -1.744 0.000 0.994 141 V N -3.975 115.332 119.914 -1.011 0.000 2.914 141 V HA 0.675 4.796 4.120 0.001 0.000 0.314 141 V C -0.803 174.971 176.094 -0.534 0.000 1.084 141 V CA -1.327 60.531 62.300 -0.736 0.000 0.963 141 V CB 2.138 33.407 31.823 -0.924 0.000 1.025 141 V HN -0.185 nan 8.190 nan 0.000 0.432 142 F N 1.614 121.267 119.950 -0.494 0.000 2.541 142 F HA 0.707 5.234 4.527 0.000 0.000 0.331 142 F C 0.752 176.389 175.800 -0.272 0.000 1.057 142 F CA -1.359 56.419 58.000 -0.370 0.000 0.975 142 F CB 2.020 40.921 39.000 -0.166 0.000 1.246 142 F HN 0.509 nan 8.300 nan 0.000 0.484 143 F N 2.091 121.563 119.950 -0.796 0.000 2.234 143 F HA 0.020 4.547 4.527 0.001 0.000 0.299 143 F C 0.736 176.462 175.800 -0.125 0.000 1.087 143 F CA 1.086 58.821 58.000 -0.442 0.000 1.340 143 F CB -0.392 38.320 39.000 -0.481 0.000 1.031 143 F HN 0.146 nan 8.300 nan 0.000 0.500 144 I N -3.316 117.403 120.570 0.248 0.000 2.934 144 I HA 0.408 4.578 4.170 0.001 0.000 0.306 144 I C 0.146 176.415 176.117 0.254 0.000 1.110 144 I CA -0.835 60.633 61.300 0.280 0.000 1.019 144 I CB 1.966 40.197 38.000 0.385 0.000 1.227 144 I HN -0.226 nan 8.210 nan 0.000 0.434 145 Q N 0.458 120.378 119.800 0.200 0.000 2.281 145 Q HA 0.243 4.583 4.340 0.001 0.000 0.215 145 Q C -0.737 175.418 176.000 0.260 0.000 0.867 145 Q CA 0.206 56.124 55.803 0.191 0.000 0.940 145 Q CB 0.732 29.604 28.738 0.223 0.000 1.111 145 Q HN 0.599 nan 8.270 nan 0.000 0.513 146 D N -1.115 119.421 120.400 0.226 0.000 2.964 146 D HA 0.280 4.920 4.640 0.001 0.000 0.234 146 D C -0.039 176.362 176.300 0.169 0.000 1.223 146 D CA -0.240 53.865 54.000 0.174 0.000 0.889 146 D CB 1.742 42.627 40.800 0.141 0.000 1.609 146 D HN -0.009 nan 8.370 nan 0.000 0.523 147 A N 3.976 126.864 122.820 0.114 0.000 2.024 147 A HA -0.156 4.164 4.320 0.001 0.000 0.220 147 A C 2.139 179.799 177.584 0.126 0.000 1.164 147 A CA 0.941 53.034 52.037 0.094 0.000 0.643 147 A CB -0.465 18.544 19.000 0.015 0.000 0.806 147 A HN 0.737 nan 8.150 nan 0.000 0.451 148 I N -0.417 120.210 120.570 0.095 0.000 2.567 148 I HA -0.172 3.999 4.170 0.001 0.000 0.257 148 I C 1.561 177.742 176.117 0.106 0.000 1.184 148 I CA 0.914 62.260 61.300 0.077 0.000 1.451 148 I CB 0.008 38.032 38.000 0.040 0.000 1.089 148 I HN 0.323 nan 8.210 nan 0.000 0.441 149 L N -0.619 120.697 121.223 0.156 0.000 2.552 149 L HA -0.113 4.227 4.340 0.001 0.000 0.227 149 L C 2.111 179.082 176.870 0.167 0.000 1.146 149 L CA 0.185 55.129 54.840 0.173 0.000 0.858 149 L CB -0.590 41.615 42.059 0.243 0.000 0.969 149 L HN 0.221 nan 8.230 nan 0.000 0.451 150 F N 2.481 122.449 119.950 0.031 0.000 2.095 150 F HA -0.104 4.423 4.527 0.001 0.000 0.298 150 F C -0.415 175.302 175.800 -0.138 0.000 1.104 150 F CA 1.406 59.411 58.000 0.007 0.000 1.232 150 F CB -1.208 37.819 39.000 0.045 0.000 0.987 150 F HN 0.080 nan 8.300 nan 0.000 0.475 151 P HA -0.116 nan 4.420 nan 0.000 0.220 151 P C 1.140 178.036 177.300 -0.674 0.000 1.148 151 P CA 1.653 64.432 63.100 -0.535 0.000 0.803 151 P CB -0.042 31.408 31.700 -0.418 0.000 0.782 152 D N -0.573 119.589 120.400 -0.396 0.000 2.084 152 D HA -0.117 4.523 4.640 0.001 0.000 0.196 152 D C 1.935 177.747 176.300 -0.813 0.000 0.985 152 D CA 0.972 54.747 54.000 -0.376 0.000 0.826 152 D CB -0.702 40.070 40.800 -0.048 0.000 0.978 152 D HN 0.075 nan 8.370 nan 0.000 0.456 153 L N 1.192 121.833 121.223 -0.971 0.000 2.012 153 L HA -0.166 4.175 4.340 0.001 0.000 0.210 153 L C 2.075 178.425 176.870 -0.867 0.000 1.073 153 L CA 1.501 55.573 54.840 -1.280 0.000 0.748 153 L CB -0.409 41.239 42.059 -0.685 0.000 0.891 153 L HN -0.057 nan 8.230 nan 0.000 0.431 154 I N -0.744 119.396 120.570 -0.717 0.000 2.353 154 I HA -0.231 3.940 4.170 0.001 0.000 0.248 154 I C 2.529 178.484 176.117 -0.271 0.000 1.119 154 I CA 1.378 62.357 61.300 -0.535 0.000 1.417 154 I CB -1.626 35.987 38.000 -0.646 0.000 1.078 154 I HN 0.459 nan 8.210 nan 0.000 0.421 155 H N 0.625 119.485 119.070 -0.350 0.000 2.422 155 H HA -0.093 4.464 4.556 0.001 0.000 0.298 155 H C 2.219 177.405 175.328 -0.237 0.000 1.098 155 H CA 1.010 56.916 56.048 -0.237 0.000 1.315 155 H CB 0.289 29.943 29.762 -0.179 0.000 1.382 155 H HN 0.343 nan 8.280 nan 0.000 0.523 156 A N 0.501 123.170 122.820 -0.252 0.000 1.929 156 A HA -0.066 4.254 4.320 0.001 0.000 0.216 156 A C 2.537 179.955 177.584 -0.276 0.000 1.176 156 A CA 1.029 52.890 52.037 -0.293 0.000 0.628 156 A CB -0.386 18.321 19.000 -0.488 0.000 0.816 156 A HN 0.185 nan 8.150 nan 0.000 0.444 157 V N 0.106 119.827 119.914 -0.321 0.000 2.535 157 V HA -0.052 4.068 4.120 0.001 0.000 0.246 157 V C 1.304 177.431 176.094 0.055 0.000 1.045 157 V CA 1.033 63.209 62.300 -0.207 0.000 1.058 157 V CB -0.486 31.167 31.823 -0.284 0.000 0.689 157 V HN 0.397 nan 8.190 nan 0.000 0.461 158 K N 0.415 120.799 120.400 -0.027 0.000 2.132 158 K HA 0.190 4.510 4.320 0.001 0.000 0.240 158 K C -2.283 174.295 176.600 -0.037 0.000 1.036 158 K CA -1.481 54.793 56.287 -0.022 0.000 0.888 158 K CB -0.178 32.290 32.500 -0.052 0.000 1.071 158 K HN 0.116 nan 8.250 nan 0.000 0.502 159 P HA -0.003 nan 4.420 nan 0.000 0.268 159 P C -0.660 176.561 177.300 -0.131 0.000 1.208 159 P CA 0.107 63.093 63.100 -0.191 0.000 0.777 159 P CB 0.470 32.091 31.700 -0.131 0.000 0.875 160 R N 1.062 121.479 120.500 -0.138 0.000 2.698 160 R HA 0.072 4.412 4.340 0.001 0.000 0.266 160 R C 1.855 178.111 176.300 -0.073 0.000 1.026 160 R CA 0.735 56.795 56.100 -0.066 0.000 1.102 160 R CB -0.215 30.058 30.300 -0.046 0.000 0.978 160 R HN 0.676 nan 8.270 nan 0.000 0.436 161 G N 1.948 110.706 108.800 -0.070 0.000 2.471 161 G HA2 -0.261 3.699 3.960 0.001 0.000 0.219 161 G HA3 -0.261 3.699 3.960 0.001 0.000 0.219 161 G C 0.718 175.581 174.900 -0.062 0.000 1.125 161 G CA 0.888 45.938 45.100 -0.084 0.000 0.775 161 G HN 0.831 nan 8.290 nan 0.000 0.548 162 D N 1.150 121.523 120.400 -0.046 0.000 2.162 162 D HA -0.063 4.577 4.640 0.001 0.000 0.205 162 D C 1.687 177.966 176.300 -0.035 0.000 0.964 162 D CA 1.214 55.193 54.000 -0.035 0.000 0.847 162 D CB -0.622 40.164 40.800 -0.025 0.000 0.988 162 D HN 0.452 nan 8.370 nan 0.000 0.480 163 N N -0.722 117.955 118.700 -0.039 0.000 2.159 163 N HA -0.005 4.736 4.740 0.001 0.000 0.217 163 N C 0.087 175.571 175.510 -0.044 0.000 1.223 163 N CA -0.022 53.006 53.050 -0.036 0.000 0.896 163 N CB -0.150 38.319 38.487 -0.029 0.000 1.064 163 N HN 0.190 nan 8.380 nan 0.000 0.518 164 Q N 0.206 119.971 119.800 -0.058 0.000 2.451 164 Q HA -0.161 4.179 4.340 0.001 0.000 0.305 164 Q C -1.255 174.701 176.000 -0.073 0.000 1.345 164 Q CA 0.507 56.270 55.803 -0.067 0.000 0.854 164 Q CB -1.386 27.321 28.738 -0.051 0.000 1.162 164 Q HN 0.612 nan 8.270 nan 0.000 0.440 165 I N 1.237 121.750 120.570 -0.094 0.000 2.608 165 I HA 0.582 4.752 4.170 0.001 0.000 0.295 165 I C -2.251 173.730 176.117 -0.225 0.000 1.049 165 I CA -2.249 58.985 61.300 -0.109 0.000 1.063 165 I CB 2.153 40.115 38.000 -0.064 0.000 1.248 165 I HN 0.048 nan 8.210 nan 0.000 0.424 166 P HA 0.270 nan 4.420 nan 0.000 0.292 166 P C -1.506 175.728 177.300 -0.110 0.000 1.300 166 P CA -0.843 62.167 63.100 -0.149 0.000 0.900 166 P CB 1.596 33.245 31.700 -0.085 0.000 1.139 167 Q N 2.271 122.055 119.800 -0.026 0.000 2.313 167 Q HA 0.405 4.746 4.340 0.001 0.000 0.266 167 Q C 0.291 176.322 176.000 0.051 0.000 0.989 167 Q CA 0.535 56.342 55.803 0.005 0.000 0.890 167 Q CB -0.542 28.210 28.738 0.022 0.000 1.200 167 Q HN 0.667 nan 8.270 nan 0.000 0.396 168 A N 2.469 125.320 122.820 0.052 0.000 2.560 168 A HA 0.112 4.433 4.320 0.001 0.000 0.299 168 A C -0.215 177.456 177.584 0.145 0.000 1.484 168 A CA 1.040 53.130 52.037 0.088 0.000 0.749 168 A CB -1.922 17.136 19.000 0.096 0.000 1.072 168 A HN 1.459 nan 8.150 nan 0.000 0.426 169 A N -0.991 121.923 122.820 0.158 0.000 2.566 169 A HA 0.798 5.119 4.320 0.001 0.000 0.297 169 A C 0.674 178.449 177.584 0.319 0.000 1.059 169 A CA 0.563 52.746 52.037 0.244 0.000 0.691 169 A CB 0.370 19.536 19.000 0.277 0.000 1.282 169 A HN 1.644 nan 8.150 nan 0.000 0.401 170 T N -0.941 113.788 114.554 0.292 0.000 3.107 170 T HA 0.358 4.709 4.350 0.001 0.000 0.249 170 T C 0.927 175.842 174.700 0.357 0.000 1.096 170 T CA 0.894 63.126 62.100 0.221 0.000 1.012 170 T CB -0.006 68.967 68.868 0.174 0.000 0.977 170 T HN 1.582 nan 8.240 nan 0.000 0.527 171 A N 2.404 125.507 122.820 0.472 0.000 3.051 171 A HA 0.500 4.820 4.320 0.001 0.000 0.257 171 A C 0.099 177.906 177.584 0.371 0.000 1.785 171 A CA -0.661 51.627 52.037 0.418 0.000 1.420 171 A CB -1.435 17.769 19.000 0.340 0.000 1.063 171 A HN 0.946 nan 8.150 nan 0.000 0.630 172 H N -4.128 115.085 119.070 0.238 0.000 3.042 172 H HA 0.483 5.039 4.556 0.001 0.000 0.346 172 H C -0.245 175.178 175.328 0.158 0.000 1.294 172 H CA -0.782 55.343 56.048 0.129 0.000 1.141 172 H CB 0.276 30.078 29.762 0.067 0.000 1.872 172 H HN 0.050 nan 8.280 nan 0.000 0.541 173 D N 0.575 121.047 120.400 0.121 0.000 2.133 173 D HA -0.248 4.392 4.640 0.001 0.000 0.192 173 D C 2.085 178.372 176.300 -0.021 0.000 1.001 173 D CA 2.964 57.000 54.000 0.060 0.000 0.844 173 D CB -0.160 40.674 40.800 0.058 0.000 0.944 173 D HN 0.602 nan 8.370 nan 0.000 0.447 174 S N 0.167 115.824 115.700 -0.071 0.000 2.382 174 S HA -0.101 4.369 4.470 0.001 0.000 0.228 174 S C 2.133 176.537 174.600 -0.326 0.000 1.027 174 S CA 1.092 59.217 58.200 -0.126 0.000 0.991 174 S CB -0.500 62.679 63.200 -0.036 0.000 0.823 174 S HN 0.286 nan 8.310 nan 0.000 0.469 175 A N 1.025 123.462 122.820 -0.637 0.000 1.858 175 A HA 0.025 4.345 4.320 0.001 0.000 0.216 175 A C 1.911 178.769 177.584 -1.210 0.000 1.190 175 A CA 1.257 52.696 52.037 -0.997 0.000 0.617 175 A CB -1.332 17.043 19.000 -1.043 0.000 0.827 175 A HN 0.727 nan 8.150 nan 0.000 0.443 176 W N -0.112 120.854 121.300 -0.558 0.000 2.467 176 W HA -0.013 4.648 4.660 0.001 0.000 0.275 176 W C 1.884 178.323 176.519 -0.133 0.000 1.239 176 W CA 0.933 58.153 57.345 -0.208 0.000 1.266 176 W CB -0.183 29.259 29.460 -0.030 0.000 1.112 176 W HN 0.481 nan 8.180 nan 0.000 0.576 177 D N -0.279 120.129 120.400 0.015 0.000 2.084 177 D HA -0.263 4.377 4.640 0.001 0.000 0.194 177 D C 1.891 178.177 176.300 -0.024 0.000 0.990 177 D CA 1.367 55.378 54.000 0.017 0.000 0.826 177 D CB -0.545 40.260 40.800 0.008 0.000 0.971 177 D HN 0.086 nan 8.370 nan 0.000 0.453 178 F N -0.113 119.671 119.950 -0.277 0.000 2.134 178 F HA -0.131 4.397 4.527 0.001 0.000 0.299 178 F C 1.891 177.608 175.800 -0.138 0.000 1.097 178 F CA 1.222 59.065 58.000 -0.261 0.000 1.264 178 F CB -0.351 38.408 39.000 -0.401 0.000 1.001 178 F HN -0.090 nan 8.300 nan 0.000 0.479 179 F N 0.614 120.511 119.950 -0.089 0.000 2.171 179 F HA -0.171 4.356 4.527 0.001 0.000 0.300 179 F C 2.920 178.645 175.800 -0.126 0.000 1.090 179 F CA 1.193 59.093 58.000 -0.167 0.000 1.293 179 F CB -1.777 37.072 39.000 -0.252 0.000 1.013 179 F HN 0.114 nan 8.300 nan 0.000 0.486 180 S N -1.134 114.649 115.700 0.138 0.000 2.436 180 S HA -0.088 4.383 4.470 0.001 0.000 0.228 180 S C 1.704 176.322 174.600 0.030 0.000 1.014 180 S CA 0.420 58.694 58.200 0.123 0.000 0.950 180 S CB -0.336 62.965 63.200 0.169 0.000 0.784 180 S HN 0.312 nan 8.310 nan 0.000 0.504 181 Q N 0.399 120.158 119.800 -0.069 0.000 2.331 181 Q HA 0.213 4.553 4.340 0.001 0.000 0.203 181 Q C 0.479 176.359 176.000 -0.201 0.000 0.944 181 Q CA 0.845 56.579 55.803 -0.115 0.000 0.892 181 Q CB -0.057 28.598 28.738 -0.138 0.000 0.983 181 Q HN 0.650 nan 8.270 nan 0.000 0.482 182 Q N 0.431 120.031 119.800 -0.333 0.000 3.064 182 Q HA 0.181 4.521 4.340 0.001 0.000 0.258 182 Q C -2.141 173.717 176.000 -0.236 0.000 0.972 182 Q CA -1.654 53.920 55.803 -0.383 0.000 0.761 182 Q CB 1.269 29.507 28.738 -0.833 0.000 1.281 182 Q HN -0.085 nan 8.270 nan 0.000 0.455 183 P HA -0.143 nan 4.420 nan 0.000 0.231 183 P C 0.844 177.931 177.300 -0.355 0.000 1.158 183 P CA 0.942 63.923 63.100 -0.198 0.000 0.763 183 P CB 0.284 31.902 31.700 -0.135 0.000 0.805 184 S N 0.676 116.202 115.700 -0.291 0.000 2.407 184 S HA -0.193 4.277 4.470 0.001 0.000 0.235 184 S C 1.987 176.489 174.600 -0.162 0.000 1.036 184 S CA 1.785 59.840 58.200 -0.242 0.000 1.013 184 S CB -2.073 61.054 63.200 -0.122 0.000 0.820 184 S HN 0.188 nan 8.310 nan 0.000 0.476 185 V N -0.066 119.803 119.914 -0.076 0.000 2.867 185 V HA -0.007 4.113 4.120 0.001 0.000 0.260 185 V C 2.164 178.199 176.094 -0.097 0.000 1.099 185 V CA 1.501 63.827 62.300 0.043 0.000 1.122 185 V CB -1.216 30.720 31.823 0.189 0.000 0.708 185 V HN 0.527 nan 8.190 nan 0.000 0.490 186 L N -0.333 120.798 121.223 -0.155 0.000 2.141 186 L HA -0.113 4.227 4.340 0.001 0.000 0.209 186 L C 2.713 179.537 176.870 -0.077 0.000 1.094 186 L CA 2.159 56.918 54.840 -0.135 0.000 0.763 186 L CB -0.866 41.112 42.059 -0.136 0.000 0.908 186 L HN 0.467 nan 8.230 nan 0.000 0.437 187 H N -0.388 118.549 119.070 -0.222 0.000 2.293 187 H HA -0.172 4.384 4.556 0.000 0.000 0.300 187 H C 2.166 177.353 175.328 -0.235 0.000 1.082 187 H CA 1.691 57.628 56.048 -0.184 0.000 1.308 187 H CB 0.361 29.999 29.762 -0.207 0.000 1.375 187 H HN 0.207 nan 8.280 nan 0.000 0.495 188 T N 1.441 115.742 114.554 -0.421 0.000 2.788 188 T HA -0.157 4.194 4.350 0.001 0.000 0.268 188 T C 2.007 176.414 174.700 -0.489 0.000 1.044 188 T CA 1.038 62.707 62.100 -0.718 0.000 1.139 188 T CB -0.355 67.681 68.868 -1.387 0.000 0.867 188 T HN 0.138 nan 8.240 nan 0.000 0.454 189 L N 0.756 121.755 121.223 -0.373 0.000 2.012 189 L HA -0.057 4.283 4.340 0.001 0.000 0.210 189 L C 2.078 178.896 176.870 -0.087 0.000 1.073 189 L CA 1.611 56.292 54.840 -0.265 0.000 0.748 189 L CB -0.771 41.034 42.059 -0.423 0.000 0.891 189 L HN 0.135 nan 8.230 nan 0.000 0.431 190 L N -1.809 119.404 121.223 -0.017 0.000 2.046 190 L HA -0.217 4.123 4.340 0.001 0.000 0.208 190 L C 2.197 179.105 176.870 0.063 0.000 1.077 190 L CA 1.910 56.816 54.840 0.110 0.000 0.747 190 L CB -1.051 41.143 42.059 0.225 0.000 0.896 190 L HN 0.338 nan 8.230 nan 0.000 0.432 191 W N -0.339 120.702 121.300 -0.432 0.000 2.318 191 W HA -0.096 4.563 4.660 -0.000 0.000 0.313 191 W C 1.791 178.330 176.519 0.034 0.000 1.221 191 W CA 1.173 58.305 57.345 -0.354 0.000 1.266 191 W CB -0.869 28.238 29.460 -0.587 0.000 1.150 191 W HN 0.080 nan 8.180 nan 0.000 0.496 195 G N -1.014 107.926 108.800 0.232 0.000 2.471 195 G HA2 -0.049 3.911 3.960 0.001 0.000 0.219 195 G HA3 -0.049 3.911 3.960 0.001 0.000 0.219 195 G C 0.919 175.838 174.900 0.031 0.000 1.125 195 G CA 1.459 46.641 45.100 0.136 0.000 0.775 195 G HN 0.722 nan 8.290 nan 0.000 0.548 196 H N 0.609 119.809 119.070 0.216 0.000 2.489 196 H HA -0.055 4.502 4.556 0.001 0.000 0.293 196 H C 2.742 178.232 175.328 0.270 0.000 1.066 196 H CA 1.009 57.202 56.048 0.241 0.000 1.305 196 H CB -0.411 29.582 29.762 0.385 0.000 1.386 196 H HN 0.396 nan 8.280 nan 0.000 0.551 197 G N 1.133 110.160 108.800 0.378 0.000 2.484 197 G HA2 -0.034 3.926 3.960 0.001 0.000 0.218 197 G HA3 -0.034 3.926 3.960 0.001 0.000 0.218 197 G C 1.109 176.273 174.900 0.440 0.000 1.130 197 G CA 0.591 45.926 45.100 0.391 0.000 0.784 197 G HN 0.496 nan 8.290 nan 0.000 0.543 198 I N -2.013 118.741 120.570 0.307 0.000 2.948 198 I HA 0.360 4.530 4.170 0.001 0.000 0.308 198 I C -2.895 173.267 176.117 0.074 0.000 1.478 198 I CA -2.536 58.944 61.300 0.300 0.000 0.843 198 I CB 1.837 40.068 38.000 0.384 0.000 2.100 198 I HN -0.239 nan 8.210 nan 0.000 0.625 199 P HA 0.126 nan 4.420 nan 0.000 0.272 199 P C 0.524 177.474 177.300 -0.583 0.000 1.223 199 P CA -0.230 62.677 63.100 -0.322 0.000 0.784 199 P CB 1.426 32.958 31.700 -0.281 0.000 0.923 200 R N 2.085 122.104 120.500 -0.801 0.000 2.115 200 R HA -0.025 4.316 4.340 0.001 0.000 0.230 200 R C 0.568 176.686 176.300 -0.303 0.000 1.111 200 R CA 1.686 57.223 56.100 -0.938 0.000 0.976 200 R CB -0.537 29.294 30.300 -0.782 0.000 0.870 200 R HN 0.685 nan 8.270 nan 0.000 0.445 201 S N -3.202 112.359 115.700 -0.232 0.000 2.611 201 S HA 0.261 4.732 4.470 0.001 0.000 0.268 201 S C 0.020 174.445 174.600 -0.293 0.000 1.156 201 S CA -0.811 57.257 58.200 -0.219 0.000 0.817 201 S CB -0.203 63.017 63.200 0.034 0.000 1.122 201 S HN -0.034 nan 8.310 nan 0.000 0.466 202 F N 1.235 121.040 119.950 -0.241 0.000 2.502 202 F HA 0.265 4.792 4.527 0.000 0.000 0.298 202 F C 2.400 177.952 175.800 -0.412 0.000 1.111 202 F CA 0.458 58.113 58.000 -0.576 0.000 1.445 202 F CB -0.441 37.870 39.000 -1.148 0.000 1.081 202 F HN 0.494 nan 8.300 nan 0.000 0.558 203 R N -0.922 119.508 120.500 -0.117 0.000 2.275 203 R HA -0.002 4.338 4.340 0.001 0.000 0.199 203 R C 0.156 176.198 176.300 -0.431 0.000 0.989 203 R CA 0.683 56.642 56.100 -0.235 0.000 1.016 203 R CB -0.398 29.637 30.300 -0.441 0.000 0.918 203 R HN 0.366 nan 8.270 nan 0.000 0.473 204 H N -0.288 118.728 119.070 -0.090 0.000 2.490 204 H HA 0.181 4.738 4.556 0.001 0.000 0.285 204 H C -0.407 174.896 175.328 -0.041 0.000 1.127 204 H CA -0.538 55.425 56.048 -0.141 0.000 0.993 204 H CB 0.581 30.169 29.762 -0.290 0.000 1.653 204 H HN -0.048 nan 8.280 nan 0.000 0.557 205 V N -2.663 117.375 119.914 0.208 0.000 3.102 205 V HA 0.561 4.681 4.120 0.001 0.000 0.312 205 V C -0.404 176.004 176.094 0.525 0.000 1.135 205 V CA -1.192 61.303 62.300 0.325 0.000 1.022 205 V CB 2.528 34.545 31.823 0.323 0.000 1.056 205 V HN 0.099 nan 8.190 nan 0.000 0.436 206 N N 0.653 119.595 118.700 0.404 0.000 2.476 206 N HA 0.778 5.518 4.740 0.001 0.000 0.276 206 N C -0.036 175.394 175.510 -0.133 0.000 1.204 206 N CA 0.336 53.514 53.050 0.213 0.000 0.974 206 N CB 1.830 40.306 38.487 -0.018 0.000 1.204 206 N HN 1.231 nan 8.380 nan 0.000 0.543 207 G N -0.600 107.728 108.800 -0.787 0.000 2.537 207 G HA2 0.763 4.724 3.960 0.001 0.000 0.308 207 G HA3 0.763 4.724 3.960 0.001 0.000 0.308 207 G C -1.542 172.705 174.900 -1.087 0.000 1.237 207 G CA -0.408 43.973 45.100 -1.198 0.000 0.968 207 G HN 0.322 nan 8.290 nan 0.000 0.481 208 F N -0.815 118.932 119.950 -0.338 0.000 2.596 208 F HA 0.461 4.988 4.527 0.000 0.000 0.311 208 F C 1.122 176.785 175.800 -0.229 0.000 1.116 208 F CA -0.514 57.294 58.000 -0.319 0.000 0.957 208 F CB 2.461 41.239 39.000 -0.370 0.000 1.250 208 F HN 0.623 nan 8.300 nan 0.000 0.444 209 G N 0.697 109.510 108.800 0.021 0.000 2.471 209 G HA2 0.145 4.106 3.960 0.001 0.000 0.219 209 G HA3 0.145 4.106 3.960 0.001 0.000 0.219 209 G C 1.100 176.039 174.900 0.066 0.000 1.125 209 G CA 1.068 46.241 45.100 0.122 0.000 0.775 209 G HN 0.713 nan 8.290 nan 0.000 0.548 210 V N -0.404 119.472 119.914 -0.063 0.000 0.542 210 V HA -0.300 3.820 4.120 0.001 0.000 0.092 210 V C 0.985 176.936 176.094 -0.237 0.000 2.107 210 V CA 1.980 64.118 62.300 -0.271 0.000 3.514 210 V CB -1.482 30.060 31.823 -0.469 0.000 0.805 210 V HN 0.618 nan 8.190 nan 0.000 0.840 211 H N 1.150 120.211 119.070 -0.015 0.000 2.679 211 H HA 0.382 4.938 4.556 0.000 0.000 0.369 211 H C 0.369 175.636 175.328 -0.102 0.000 1.178 211 H CA 0.763 56.715 56.048 -0.159 0.000 1.419 211 H CB 0.509 29.996 29.762 -0.457 0.000 1.458 211 H HN 0.525 nan 8.280 nan 0.000 0.605 212 T N 3.208 117.759 114.554 -0.004 0.000 2.851 212 T HA 0.228 4.579 4.350 0.001 0.000 0.298 212 T C 0.090 174.694 174.700 -0.161 0.000 0.977 212 T CA 0.117 62.212 62.100 -0.008 0.000 1.126 212 T CB -0.133 68.744 68.868 0.015 0.000 0.916 212 T HN 0.216 nan 8.240 nan 0.000 0.529 213 F N 0.962 120.901 119.950 -0.018 0.000 2.639 213 F HA 0.606 5.133 4.527 0.000 0.000 0.339 213 F C 0.884 176.638 175.800 -0.076 0.000 1.071 213 F CA -1.325 56.677 58.000 0.003 0.000 0.994 213 F CB 1.516 40.552 39.000 0.061 0.000 1.341 213 F HN 0.211 nan 8.300 nan 0.000 0.498 214 R N 0.925 121.514 120.500 0.150 0.000 2.532 214 R HA 0.662 5.002 4.340 0.001 0.000 0.295 214 R C -1.416 174.867 176.300 -0.029 0.000 0.968 214 R CA -0.769 55.339 56.100 0.013 0.000 0.916 214 R CB 1.496 31.782 30.300 -0.022 0.000 1.124 214 R HN 0.465 nan 8.270 nan 0.000 0.463 215 L N 2.768 123.944 121.223 -0.078 0.000 2.325 215 L HA 0.618 4.958 4.340 0.001 0.000 0.278 215 L C -0.705 176.099 176.870 -0.111 0.000 1.023 215 L CA -1.081 53.695 54.840 -0.106 0.000 0.811 215 L CB 1.948 43.939 42.059 -0.113 0.000 1.249 215 L HN 0.292 nan 8.230 nan 0.000 0.431 216 V N 0.366 120.190 119.914 -0.149 0.000 2.577 216 V HA 0.389 4.509 4.120 0.001 0.000 0.303 216 V C 0.208 176.251 176.094 -0.084 0.000 1.042 216 V CA -0.750 61.461 62.300 -0.148 0.000 0.872 216 V CB 1.930 33.556 31.823 -0.328 0.000 0.998 216 V HN 0.896 nan 8.190 nan 0.000 0.423 217 T N -0.724 113.833 114.554 0.004 0.000 2.824 217 T HA 0.240 4.591 4.350 0.001 0.000 0.277 217 T C 0.725 175.517 174.700 0.153 0.000 0.975 217 T CA -0.448 61.681 62.100 0.047 0.000 0.966 217 T CB 1.029 69.918 68.868 0.037 0.000 1.054 217 T HN 0.558 nan 8.240 nan 0.000 0.533 218 D N 0.804 121.275 120.400 0.118 0.000 2.218 218 D HA -0.095 4.546 4.640 0.001 0.000 0.204 218 D C 1.344 177.667 176.300 0.038 0.000 0.976 218 D CA 1.245 55.317 54.000 0.120 0.000 0.853 218 D CB -0.146 40.675 40.800 0.036 0.000 0.939 218 D HN 0.827 nan 8.370 nan 0.000 0.481 219 D N -1.167 119.253 120.400 0.033 0.000 2.336 219 D HA 0.135 4.775 4.640 0.001 0.000 0.228 219 D C 1.360 177.676 176.300 0.027 0.000 1.120 219 D CA 0.451 54.446 54.000 -0.009 0.000 0.839 219 D CB 0.002 40.793 40.800 -0.014 0.000 0.932 219 D HN 0.177 nan 8.370 nan 0.000 0.509 220 G N 0.426 109.304 108.800 0.129 0.000 2.176 220 G HA2 -0.289 3.671 3.960 0.001 0.000 0.253 220 G HA3 -0.289 3.671 3.960 0.001 0.000 0.253 220 G C 0.136 175.088 174.900 0.088 0.000 0.979 220 G CA -0.007 45.200 45.100 0.178 0.000 0.641 220 G HN 0.445 nan 8.290 nan 0.000 0.530 221 K N 1.386 121.817 120.400 0.052 0.000 2.270 221 K HA 0.503 4.824 4.320 0.001 0.000 0.276 221 K C 0.594 177.197 176.600 0.005 0.000 1.023 221 K CA 0.628 56.928 56.287 0.022 0.000 0.955 221 K CB 0.913 33.422 32.500 0.016 0.000 0.975 221 K HN 0.412 nan 8.250 nan 0.000 0.471 222 T N -0.306 114.244 114.554 -0.006 0.000 2.924 222 T HA 0.507 4.857 4.350 0.001 0.000 0.291 222 T C -0.578 174.109 174.700 -0.021 0.000 1.045 222 T CA -1.163 60.922 62.100 -0.024 0.000 1.015 222 T CB 1.818 70.668 68.868 -0.029 0.000 1.103 222 T HN 0.212 nan 8.240 nan 0.000 0.496 223 K N 1.559 121.940 120.400 -0.032 0.000 2.385 223 K HA 0.526 4.846 4.320 0.001 0.000 0.248 223 K C -0.753 175.824 176.600 -0.039 0.000 0.955 223 K CA -0.778 55.491 56.287 -0.030 0.000 0.816 223 K CB 2.576 35.056 32.500 -0.034 0.000 1.250 223 K HN 0.643 nan 8.250 nan 0.000 0.434 224 L N 1.930 123.137 121.223 -0.026 0.000 2.326 224 L HA 0.468 4.808 4.340 0.001 0.000 0.278 224 L C 0.211 177.055 176.870 -0.043 0.000 1.092 224 L CA -0.966 53.861 54.840 -0.022 0.000 0.810 224 L CB 1.201 43.259 42.059 -0.001 0.000 1.153 224 L HN 0.360 nan 8.230 nan 0.000 0.439 225 V N 0.014 119.875 119.914 -0.088 0.000 3.007 225 V HA 0.612 4.732 4.120 0.001 0.000 0.311 225 V C -0.877 175.120 176.094 -0.161 0.000 1.120 225 V CA -1.041 61.153 62.300 -0.177 0.000 0.980 225 V CB 2.230 33.809 31.823 -0.407 0.000 1.033 225 V HN 0.540 nan 8.190 nan 0.000 0.429 226 K N 2.765 123.102 120.400 -0.106 0.000 2.235 226 K HA 0.584 4.905 4.320 0.001 0.000 0.266 226 K C -1.205 175.326 176.600 -0.116 0.000 0.980 226 K CA -0.226 56.031 56.287 -0.050 0.000 0.849 226 K CB 1.673 34.224 32.500 0.086 0.000 1.098 226 K HN 0.691 nan 8.250 nan 0.000 0.445 227 F N 1.837 121.764 119.950 -0.037 0.000 2.396 227 F HA 0.212 4.741 4.527 0.003 0.000 0.343 227 F C 0.707 176.286 175.800 -0.369 0.000 1.104 227 F CA -0.039 57.846 58.000 -0.190 0.000 1.161 227 F CB 0.644 39.467 39.000 -0.295 0.000 1.146 227 F HN 0.442 nan 8.300 nan 0.000 0.522 228 H N 0.520 119.513 119.070 -0.129 0.000 2.637 228 H HA 0.357 4.914 4.556 0.000 0.000 0.363 228 H C -1.611 173.452 175.328 -0.443 0.000 1.131 228 H CA -0.998 54.886 56.048 -0.273 0.000 1.183 228 H CB 1.289 30.971 29.762 -0.133 0.000 1.637 228 H HN 0.617 nan 8.280 nan 0.000 0.531 229 W N 3.145 124.265 121.300 -0.300 0.000 2.338 229 W HA 0.374 5.035 4.660 0.002 0.000 0.315 229 W C -0.543 175.975 176.519 -0.001 0.000 1.005 229 W CA -0.865 56.370 57.345 -0.182 0.000 1.380 229 W CB 1.122 30.227 29.460 -0.592 0.000 1.235 229 W HN 0.144 nan 8.180 nan 0.000 0.409 230 K N 2.738 123.357 120.400 0.365 0.000 2.263 230 K HA 0.291 4.611 4.320 0.001 0.000 0.282 230 K C 0.481 177.250 176.600 0.282 0.000 1.089 230 K CA -0.309 56.135 56.287 0.261 0.000 0.907 230 K CB 1.062 33.659 32.500 0.161 0.000 1.148 230 K HN 0.640 nan 8.250 nan 0.000 0.470 231 G N 2.389 111.314 108.800 0.209 0.000 2.442 231 G HA2 0.173 4.134 3.960 0.001 0.000 0.249 231 G HA3 0.173 4.134 3.960 0.001 0.000 0.249 231 G C 0.720 175.478 174.900 -0.237 0.000 1.263 231 G CA -0.488 44.453 45.100 -0.265 0.000 0.846 231 G HN 0.597 nan 8.290 nan 0.000 0.555 232 L N 1.184 122.178 121.223 -0.381 0.000 2.667 232 L HA 0.123 4.463 4.340 0.001 0.000 0.232 232 L C 2.087 178.821 176.870 -0.226 0.000 1.138 232 L CA 0.120 54.832 54.840 -0.214 0.000 0.921 232 L CB 0.239 42.211 42.059 -0.145 0.000 1.180 232 L HN 0.457 nan 8.230 nan 0.000 0.487 233 Q N 0.406 120.017 119.800 -0.314 0.000 2.304 233 Q HA 0.366 4.706 4.340 0.001 0.000 0.204 233 Q C 0.786 176.708 176.000 -0.131 0.000 0.936 233 Q CA 0.775 56.417 55.803 -0.268 0.000 0.878 233 Q CB 0.717 29.158 28.738 -0.495 0.000 0.983 233 Q HN 0.315 nan 8.270 nan 0.000 0.516 234 G N 0.477 109.207 108.800 -0.117 0.000 2.697 234 G HA2 -0.099 3.862 3.960 0.001 0.000 0.684 234 G HA3 -0.099 3.862 3.960 0.001 0.000 0.684 234 G C -1.384 173.501 174.900 -0.024 0.000 1.274 234 G CA -1.071 43.997 45.100 -0.053 0.000 0.806 234 G HN -0.010 nan 8.290 nan 0.000 0.644 235 K N 0.143 120.515 120.400 -0.046 0.000 2.451 235 K HA 0.508 4.828 4.320 0.001 0.000 0.280 235 K C 0.455 176.884 176.600 -0.285 0.000 1.020 235 K CA 0.938 57.174 56.287 -0.084 0.000 1.008 235 K CB 0.929 33.403 32.500 -0.043 0.000 0.917 235 K HN 1.350 nan 8.250 nan 0.000 0.478 236 A N 2.145 124.714 122.820 -0.418 0.000 2.488 236 A HA 0.548 4.868 4.320 0.001 0.000 0.295 236 A C -1.085 176.083 177.584 -0.693 0.000 1.045 236 A CA -0.664 50.880 52.037 -0.822 0.000 0.703 236 A CB 1.690 19.802 19.000 -1.480 0.000 1.271 236 A HN 0.510 nan 8.150 nan 0.000 0.400 237 S N 0.522 115.851 115.700 -0.617 0.000 2.595 237 S HA 0.832 5.302 4.470 0.001 0.000 0.281 237 S C -0.918 173.689 174.600 0.011 0.000 1.117 237 S CA -0.392 57.554 58.200 -0.422 0.000 0.873 237 S CB 0.796 63.726 63.200 -0.449 0.000 1.108 237 S HN 0.489 nan 8.310 nan 0.000 0.477 238 F N 1.459 121.476 119.950 0.111 0.000 2.362 238 F HA 0.511 5.039 4.527 0.001 0.000 0.311 238 F C 0.756 176.531 175.800 -0.041 0.000 1.161 238 F CA -1.135 56.895 58.000 0.050 0.000 1.085 238 F CB 0.353 39.312 39.000 -0.067 0.000 1.311 238 F HN 0.344 nan 8.300 nan 0.000 0.524 239 V N -0.690 119.196 119.914 -0.047 0.000 2.863 239 V HA 0.153 4.273 4.120 0.001 0.000 0.307 239 V C 0.858 176.862 176.094 -0.149 0.000 1.061 239 V CA -1.115 60.978 62.300 -0.344 0.000 1.024 239 V CB 1.281 32.757 31.823 -0.580 0.000 1.049 239 V HN 1.008 nan 8.190 nan 0.000 0.471 240 W N 2.108 123.220 121.300 -0.313 0.000 2.318 240 W HA -0.195 4.465 4.660 0.001 0.000 0.313 240 W C 2.269 178.604 176.519 -0.308 0.000 1.221 240 W CA 2.267 59.452 57.345 -0.267 0.000 1.266 240 W CB 0.140 29.428 29.460 -0.288 0.000 1.150 240 W HN 0.965 nan 8.180 nan 0.000 0.496 241 E N 0.836 120.807 120.200 -0.382 0.000 2.160 241 E HA -0.324 4.026 4.350 0.001 0.000 0.195 241 E C 1.760 177.942 176.600 -0.696 0.000 0.991 241 E CA 1.951 58.060 56.400 -0.484 0.000 0.810 241 E CB -1.081 28.569 29.700 -0.084 0.000 0.742 241 E HN 0.647 nan 8.360 nan 0.000 0.466 242 E N 1.399 121.020 120.200 -0.966 0.000 2.112 242 E HA -0.040 4.310 4.350 0.001 0.000 0.190 242 E C 2.133 178.112 176.600 -1.034 0.000 0.979 242 E CA 0.855 56.434 56.400 -1.368 0.000 0.814 242 E CB -0.127 28.674 29.700 -1.499 0.000 0.762 242 E HN 0.236 nan 8.360 nan 0.000 0.460 243 A N 1.257 123.586 122.820 -0.820 0.000 1.902 243 A HA -0.239 4.081 4.320 0.001 0.000 0.217 243 A C 2.165 179.375 177.584 -0.624 0.000 1.181 243 A CA 1.707 53.352 52.037 -0.653 0.000 0.623 243 A CB -0.552 18.325 19.000 -0.205 0.000 0.818 243 A HN 0.379 nan 8.150 nan 0.000 0.443 244 Q N -1.094 118.217 119.800 -0.815 0.000 2.050 244 Q HA -0.269 4.071 4.340 0.001 0.000 0.202 244 Q C 2.355 178.096 176.000 -0.433 0.000 0.980 244 Q CA 1.791 57.181 55.803 -0.688 0.000 0.840 244 Q CB -0.229 28.012 28.738 -0.828 0.000 0.898 244 Q HN 0.848 nan 8.270 nan 0.000 0.424 245 Q N 0.073 119.620 119.800 -0.422 0.000 2.124 245 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 245 Q C 1.781 177.610 176.000 -0.285 0.000 0.977 245 Q CA 1.786 57.431 55.803 -0.264 0.000 0.850 245 Q CB 0.111 28.765 28.738 -0.139 0.000 0.901 245 Q HN 0.317 nan 8.270 nan 0.000 0.429 246 T N 0.264 114.558 114.554 -0.433 0.000 2.821 246 T HA -0.099 4.252 4.350 0.001 0.000 0.267 246 T C 1.754 176.308 174.700 -0.244 0.000 1.046 246 T CA 1.030 62.873 62.100 -0.428 0.000 1.139 246 T CB -0.348 68.095 68.868 -0.709 0.000 0.871 246 T HN 0.459 nan 8.240 nan 0.000 0.454 247 A N 1.396 124.081 122.820 -0.225 0.000 1.933 247 A HA 0.098 4.419 4.320 0.001 0.000 0.218 247 A C 2.590 180.125 177.584 -0.081 0.000 1.175 247 A CA 1.783 53.752 52.037 -0.114 0.000 0.628 247 A CB -1.218 17.715 19.000 -0.112 0.000 0.814 247 A HN 0.521 nan 8.150 nan 0.000 0.444 248 G N -1.151 107.586 108.800 -0.105 0.000 2.430 248 G HA2 -0.071 3.889 3.960 0.001 0.000 0.216 248 G HA3 -0.071 3.889 3.960 0.001 0.000 0.216 248 G C 1.625 176.493 174.900 -0.053 0.000 1.146 248 G CA 0.752 45.811 45.100 -0.068 0.000 0.793 248 G HN 0.393 nan 8.290 nan 0.000 0.537 249 K N -0.447 119.909 120.400 -0.072 0.000 2.276 249 K HA 0.079 4.399 4.320 0.001 0.000 0.198 249 K C 0.073 176.659 176.600 -0.024 0.000 1.052 249 K CA 0.189 56.444 56.287 -0.053 0.000 0.984 249 K CB 0.366 32.818 32.500 -0.080 0.000 0.836 249 K HN 0.244 nan 8.250 nan 0.000 0.490 250 N N -0.116 118.574 118.700 -0.016 0.000 2.701 250 N HA 0.182 4.922 4.740 0.001 0.000 0.258 250 N C -0.278 175.277 175.510 0.074 0.000 1.262 250 N CA 0.051 53.132 53.050 0.050 0.000 0.780 250 N CB 1.160 39.727 38.487 0.134 0.000 1.380 250 N HN -0.056 nan 8.380 nan 0.000 0.548 251 A N 1.483 124.334 122.820 0.052 0.000 2.125 251 A HA -0.062 4.259 4.320 0.001 0.000 0.219 251 A C 0.850 178.495 177.584 0.103 0.000 1.156 251 A CA 1.154 53.230 52.037 0.064 0.000 0.671 251 A CB 0.039 19.066 19.000 0.044 0.000 0.794 251 A HN 0.604 nan 8.150 nan 0.000 0.459 252 D N -1.507 118.956 120.400 0.104 0.000 2.388 252 D HA 0.170 4.811 4.640 0.001 0.000 0.221 252 D C 0.246 176.624 176.300 0.131 0.000 1.133 252 D CA -0.356 53.707 54.000 0.105 0.000 0.831 252 D CB -0.103 40.726 40.800 0.048 0.000 0.962 252 D HN 0.417 nan 8.370 nan 0.000 0.502 256 Q N 1.206 121.041 119.800 0.057 0.000 2.079 256 Q HA -0.178 4.162 4.340 0.001 0.000 0.200 256 Q C 1.524 177.538 176.000 0.023 0.000 0.974 256 Q CA 2.257 58.080 55.803 0.032 0.000 0.840 256 Q CB -0.118 28.594 28.738 -0.043 0.000 0.898 256 Q HN 0.384 nan 8.270 nan 0.000 0.430 257 D N -0.018 120.293 120.400 -0.149 0.000 2.104 257 D HA -0.210 4.431 4.640 0.001 0.000 0.194 257 D C 1.959 178.267 176.300 0.013 0.000 0.994 257 D CA 1.270 55.176 54.000 -0.156 0.000 0.830 257 D CB 0.009 40.618 40.800 -0.319 0.000 0.959 257 D HN 0.330 nan 8.370 nan 0.000 0.452 258 L N 0.082 121.365 121.223 0.101 0.000 2.027 258 L HA -0.054 4.286 4.340 0.001 0.000 0.206 258 L C 2.365 179.348 176.870 0.188 0.000 1.074 258 L CA 1.415 56.357 54.840 0.170 0.000 0.745 258 L CB -1.191 41.038 42.059 0.282 0.000 0.898 258 L HN 0.062 nan 8.230 nan 0.000 0.433 259 F N 0.193 120.202 119.950 0.099 0.000 2.095 259 F HA -0.285 4.242 4.527 0.001 0.000 0.298 259 F C 2.485 178.333 175.800 0.081 0.000 1.104 259 F CA 2.072 60.133 58.000 0.102 0.000 1.232 259 F CB -0.276 38.782 39.000 0.097 0.000 0.987 259 F HN 0.211 nan 8.300 nan 0.000 0.475 260 Q N -0.168 119.758 119.800 0.211 0.000 2.084 260 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 260 Q C 2.505 178.499 176.000 -0.010 0.000 0.978 260 Q CA 2.015 57.871 55.803 0.089 0.000 0.844 260 Q CB -0.434 28.381 28.738 0.128 0.000 0.898 260 Q HN 0.587 nan 8.270 nan 0.000 0.426 261 S N 0.588 116.293 115.700 0.009 0.000 2.368 261 S HA -0.145 4.325 4.470 0.001 0.000 0.225 261 S C 1.944 176.535 174.600 -0.014 0.000 1.030 261 S CA 0.926 59.120 58.200 -0.010 0.000 0.999 261 S CB -0.458 62.745 63.200 0.005 0.000 0.844 261 S HN 0.306 nan 8.310 nan 0.000 0.459 262 I N 1.310 121.896 120.570 0.027 0.000 2.252 262 I HA -0.121 4.050 4.170 0.001 0.000 0.245 262 I C 2.860 179.005 176.117 0.047 0.000 1.102 262 I CA 1.039 62.421 61.300 0.138 0.000 1.385 262 I CB -0.362 37.708 38.000 0.118 0.000 1.064 262 I HN 0.296 nan 8.210 nan 0.000 0.414 263 Q N 0.581 120.296 119.800 -0.141 0.000 2.224 263 Q HA -0.079 4.262 4.340 0.001 0.000 0.203 263 Q C 2.222 178.175 176.000 -0.079 0.000 0.970 263 Q CA 1.491 57.205 55.803 -0.148 0.000 0.865 263 Q CB -0.342 28.239 28.738 -0.261 0.000 0.922 263 Q HN 0.540 nan 8.270 nan 0.000 0.445 264 A N -0.351 122.414 122.820 -0.091 0.000 2.238 264 A HA 0.310 4.630 4.320 0.001 0.000 0.208 264 A C 1.500 178.956 177.584 -0.213 0.000 1.177 264 A CA 0.926 52.897 52.037 -0.109 0.000 0.804 264 A CB -0.280 18.671 19.000 -0.082 0.000 0.823 264 A HN 0.403 nan 8.150 nan 0.000 0.482 265 G N -0.529 108.063 108.800 -0.348 0.000 2.155 265 G HA2 -0.299 3.662 3.960 0.001 0.000 0.257 265 G HA3 -0.299 3.662 3.960 0.001 0.000 0.257 265 G C 0.372 174.645 174.900 -1.045 0.000 0.983 265 G CA 0.386 44.958 45.100 -0.879 0.000 0.676 265 G HN 0.597 nan 8.290 nan 0.000 0.528 266 R N 0.161 120.337 120.500 -0.539 0.000 3.657 266 R HA 0.373 4.714 4.340 0.001 0.000 0.220 266 R C -0.343 175.860 176.300 -0.161 0.000 1.548 266 R CA -0.474 55.437 56.100 -0.315 0.000 1.465 266 R CB -0.183 30.021 30.300 -0.160 0.000 1.330 266 R HN 0.180 nan 8.270 nan 0.000 0.707 267 F N 3.421 123.352 119.950 -0.033 0.000 2.472 267 F HA 0.189 4.716 4.527 0.000 0.000 0.364 267 F C -1.362 174.403 175.800 -0.058 0.000 1.090 267 F CA -3.149 54.838 58.000 -0.021 0.000 1.188 267 F CB 0.011 39.014 39.000 0.006 0.000 1.105 267 F HN 0.204 nan 8.300 nan 0.000 0.536 268 P HA 0.188 nan 4.420 nan 0.000 0.275 268 P C -0.873 176.345 177.300 -0.136 0.000 1.228 268 P CA -0.256 62.751 63.100 -0.155 0.000 0.786 268 P CB 1.331 32.907 31.700 -0.206 0.000 0.927 269 E N 1.395 121.360 120.200 -0.392 0.000 2.312 269 E HA 0.507 4.857 4.350 0.001 0.000 0.267 269 E C -0.953 175.431 176.600 -0.359 0.000 0.894 269 E CA -0.506 55.820 56.400 -0.123 0.000 0.773 269 E CB 2.059 31.756 29.700 -0.005 0.000 1.241 269 E HN 0.487 nan 8.360 nan 0.000 0.432 270 W N 0.944 122.341 121.300 0.161 0.000 3.138 270 W HA 0.299 4.959 4.660 0.000 0.000 0.331 270 W C -0.493 176.251 176.519 0.375 0.000 1.166 270 W CA -0.518 56.986 57.345 0.265 0.000 1.212 270 W CB 1.950 31.614 29.460 0.339 0.000 1.399 270 W HN 0.441 nan 8.180 nan 0.000 0.514 271 E N 1.937 122.447 120.200 0.518 0.000 2.197 271 E HA 0.238 4.589 4.350 0.001 0.000 0.281 271 E C -0.614 176.207 176.600 0.369 0.000 0.995 271 E CA -0.995 55.635 56.400 0.384 0.000 0.808 271 E CB 2.133 31.972 29.700 0.231 0.000 1.093 271 E HN 0.114 nan 8.360 nan 0.000 0.394 272 L N 2.854 124.221 121.223 0.239 0.000 2.367 272 L HA 0.439 4.779 4.340 0.001 0.000 0.275 272 L C 0.038 176.830 176.870 -0.129 0.000 1.129 272 L CA 0.624 55.316 54.840 -0.247 0.000 0.839 272 L CB 0.702 42.588 42.059 -0.289 0.000 1.133 272 L HN 0.563 nan 8.230 nan 0.000 0.453 273 G N 3.909 112.620 108.800 -0.147 0.000 2.642 273 G HA2 0.669 4.629 3.960 0.001 0.000 0.293 273 G HA3 0.669 4.629 3.960 0.001 0.000 0.293 273 G C -1.686 173.192 174.900 -0.038 0.000 1.341 273 G CA -0.206 44.844 45.100 -0.083 0.000 0.916 273 G HN 0.884 nan 8.290 nan 0.000 0.474 274 V N -1.829 118.032 119.914 -0.089 0.000 2.709 274 V HA 0.621 4.741 4.120 0.001 0.000 0.308 274 V C -0.545 175.514 176.094 -0.059 0.000 1.062 274 V CA -1.148 61.099 62.300 -0.088 0.000 0.901 274 V CB 1.589 33.275 31.823 -0.229 0.000 1.003 274 V HN 0.728 nan 8.190 nan 0.000 0.425 275 Q N 3.608 123.413 119.800 0.009 0.000 2.337 275 Q HA 0.560 4.901 4.340 0.001 0.000 0.255 275 Q C -0.776 175.217 176.000 -0.012 0.000 0.997 275 Q CA -0.083 55.727 55.803 0.011 0.000 0.925 275 Q CB 1.507 30.299 28.738 0.090 0.000 1.212 275 Q HN 0.738 nan 8.270 nan 0.000 0.436 276 I N 3.960 124.521 120.570 -0.014 0.000 2.315 276 I HA 0.304 4.474 4.170 0.001 0.000 0.291 276 I C -0.050 176.088 176.117 0.034 0.000 1.006 276 I CA 0.041 61.332 61.300 -0.014 0.000 1.265 276 I CB 0.609 38.598 38.000 -0.018 0.000 1.387 276 I HN 0.475 nan 8.210 nan 0.000 0.475 277 M N 4.757 124.381 119.600 0.040 0.000 2.658 277 M HA 0.437 4.917 4.480 0.001 0.000 0.295 277 M C -0.791 175.529 176.300 0.033 0.000 1.248 277 M CA -0.948 54.399 55.300 0.079 0.000 0.843 277 M CB 2.210 34.891 32.600 0.136 0.000 1.749 277 M HN 0.387 nan 8.290 nan 0.000 0.464 278 Q N 0.982 120.796 119.800 0.024 0.000 2.221 278 Q HA 0.227 4.568 4.340 0.001 0.000 0.242 278 Q C 0.508 176.487 176.000 -0.034 0.000 0.940 278 Q CA -0.264 55.534 55.803 -0.008 0.000 0.896 278 Q CB 1.069 29.800 28.738 -0.012 0.000 1.226 278 Q HN 0.607 nan 8.270 nan 0.000 0.463 279 E N 1.084 121.264 120.200 -0.033 0.000 2.130 279 E HA -0.213 4.137 4.350 0.001 0.000 0.196 279 E C 1.268 177.827 176.600 -0.068 0.000 0.998 279 E CA 1.371 57.745 56.400 -0.042 0.000 0.806 279 E CB 0.262 29.944 29.700 -0.029 0.000 0.738 279 E HN 0.490 nan 8.360 nan 0.000 0.459 280 Q N 0.464 120.219 119.800 -0.075 0.000 2.515 280 Q HA -0.049 4.291 4.340 0.001 0.000 0.212 280 Q C 0.811 176.702 176.000 -0.182 0.000 0.970 280 Q CA 0.581 56.323 55.803 -0.102 0.000 0.941 280 Q CB 0.184 28.876 28.738 -0.077 0.000 0.998 280 Q HN 0.163 nan 8.270 nan 0.000 0.518 281 D N -0.321 119.943 120.400 -0.227 0.000 2.340 281 D HA -0.033 4.608 4.640 0.001 0.000 0.220 281 D C 1.072 177.061 176.300 -0.520 0.000 1.039 281 D CA 0.207 53.926 54.000 -0.468 0.000 0.866 281 D CB 0.219 40.775 40.800 -0.407 0.000 0.913 281 D HN 0.364 nan 8.370 nan 0.000 0.523 282 Q N -0.160 119.472 119.800 -0.280 0.000 2.170 282 Q HA -0.019 4.321 4.340 0.001 0.000 0.203 282 Q C 1.226 177.088 176.000 -0.231 0.000 0.976 282 Q CA 0.846 56.532 55.803 -0.196 0.000 0.858 282 Q CB 0.243 28.926 28.738 -0.093 0.000 0.907 282 Q HN 0.306 nan 8.270 nan 0.000 0.433 283 L N -0.662 120.407 121.223 -0.257 0.000 3.122 283 L HA 0.210 4.550 4.340 0.001 0.000 0.274 283 L C 1.461 178.163 176.870 -0.279 0.000 1.222 283 L CA -0.140 54.570 54.840 -0.218 0.000 1.028 283 L CB 0.380 42.375 42.059 -0.106 0.000 1.386 283 L HN -0.031 nan 8.230 nan 0.000 0.578 284 K N 0.399 120.515 120.400 -0.472 0.000 2.243 284 K HA 0.061 4.382 4.320 0.001 0.000 0.201 284 K C 1.149 177.577 176.600 -0.288 0.000 1.051 284 K CA 1.000 57.035 56.287 -0.421 0.000 0.970 284 K CB 0.270 32.391 32.500 -0.632 0.000 0.755 284 K HN 0.141 nan 8.250 nan 0.000 0.465 285 F N -0.124 119.656 119.950 -0.284 0.000 2.732 285 F HA 0.287 4.814 4.527 0.000 0.000 0.303 285 F C 1.387 177.070 175.800 -0.196 0.000 1.110 285 F CA 0.249 58.074 58.000 -0.292 0.000 1.355 285 F CB 0.466 39.162 39.000 -0.506 0.000 1.081 285 F HN 0.212 nan 8.300 nan 0.000 0.565 286 G N 0.306 109.100 108.800 -0.011 0.000 2.175 286 G HA2 -0.265 3.696 3.960 0.001 0.000 0.244 286 G HA3 -0.265 3.696 3.960 0.001 0.000 0.244 286 G C 0.095 175.138 174.900 0.238 0.000 0.982 286 G CA 0.160 45.336 45.100 0.127 0.000 0.641 286 G HN 0.398 nan 8.290 nan 0.000 0.527 287 F N -1.271 118.751 119.950 0.120 0.000 2.715 287 F HA 0.804 5.335 4.527 0.006 0.000 0.318 287 F C -0.948 174.905 175.800 0.089 0.000 1.141 287 F CA -1.743 56.314 58.000 0.095 0.000 0.950 287 F CB 0.952 39.998 39.000 0.077 0.000 1.374 287 F HN -0.051 nan 8.300 nan 0.000 0.477 288 D N 1.364 121.946 120.400 0.304 0.000 2.232 288 D HA 0.306 4.947 4.640 0.001 0.000 0.242 288 D C 0.777 177.215 176.300 0.229 0.000 1.093 288 D CA -0.271 53.839 54.000 0.183 0.000 0.845 288 D CB 1.666 42.656 40.800 0.318 0.000 1.124 288 D HN 0.739 nan 8.370 nan 0.000 0.467 289 L N 3.396 124.683 121.223 0.108 0.000 2.353 289 L HA -0.100 4.240 4.340 0.001 0.000 0.220 289 L C 1.983 178.924 176.870 0.119 0.000 1.133 289 L CA 0.569 55.503 54.840 0.157 0.000 0.798 289 L CB -0.094 42.013 42.059 0.080 0.000 0.922 289 L HN 0.456 nan 8.230 nan 0.000 0.445 290 L N -0.924 120.382 121.223 0.137 0.000 2.552 290 L HA -0.010 4.331 4.340 0.001 0.000 0.227 290 L C 0.569 177.478 176.870 0.064 0.000 1.146 290 L CA 0.085 55.020 54.840 0.158 0.000 0.858 290 L CB -0.365 41.850 42.059 0.261 0.000 0.969 290 L HN 0.136 nan 8.230 nan 0.000 0.451 291 D N 1.601 121.899 120.400 -0.169 0.000 2.347 291 D HA 0.117 4.757 4.640 0.001 0.000 0.235 291 D C -1.608 174.516 176.300 -0.293 0.000 1.149 291 D CA -2.358 51.254 54.000 -0.647 0.000 0.850 291 D CB 1.537 41.878 40.800 -0.765 0.000 1.061 291 D HN -0.073 nan 8.370 nan 0.000 0.487 292 P HA -0.023 nan 4.420 nan 0.000 0.245 292 P C 0.770 177.950 177.300 -0.200 0.000 1.212 292 P CA 0.470 63.479 63.100 -0.152 0.000 0.774 292 P CB -0.055 31.615 31.700 -0.049 0.000 0.999 293 T N -4.053 110.364 114.554 -0.229 0.000 3.107 293 T HA 0.156 4.506 4.350 0.001 0.000 0.249 293 T C 0.674 175.277 174.700 -0.161 0.000 1.096 293 T CA -0.147 61.823 62.100 -0.216 0.000 1.012 293 T CB -0.212 68.538 68.868 -0.198 0.000 0.977 293 T HN -0.118 nan 8.240 nan 0.000 0.527 294 K N 2.305 122.573 120.400 -0.220 0.000 2.292 294 K HA 0.526 4.846 4.320 0.001 0.000 0.257 294 K C 0.084 176.505 176.600 -0.298 0.000 0.940 294 K CA -0.853 55.255 56.287 -0.299 0.000 0.811 294 K CB 2.481 34.706 32.500 -0.457 0.000 1.120 294 K HN 0.501 nan 8.250 nan 0.000 0.428 295 I N -1.367 119.046 120.570 -0.262 0.000 2.677 295 I HA 0.371 4.541 4.170 0.001 0.000 0.305 295 I C -0.094 175.928 176.117 -0.158 0.000 0.988 295 I CA -1.084 60.116 61.300 -0.167 0.000 1.260 295 I CB 1.175 39.160 38.000 -0.025 0.000 1.410 295 I HN 0.028 nan 8.210 nan 0.000 0.523 296 V N 4.958 124.912 119.914 0.068 0.000 2.334 296 V HA 0.313 4.434 4.120 0.001 0.000 0.267 296 V C -2.085 174.070 176.094 0.103 0.000 1.040 296 V CA -1.508 60.900 62.300 0.179 0.000 0.866 296 V CB 0.317 32.267 31.823 0.212 0.000 1.019 296 V HN 0.685 nan 8.190 nan 0.000 0.468 297 P HA 0.095 nan 4.420 nan 0.000 0.266 297 P C 0.810 178.133 177.300 0.038 0.000 1.195 297 P CA 0.081 63.223 63.100 0.071 0.000 0.768 297 P CB 0.696 32.428 31.700 0.053 0.000 0.838 298 E N 1.412 121.648 120.200 0.060 0.000 2.265 298 E HA -0.207 4.143 4.350 0.001 0.000 0.196 298 E C 1.123 177.725 176.600 0.004 0.000 0.996 298 E CA 1.043 57.460 56.400 0.027 0.000 0.832 298 E CB -0.038 29.686 29.700 0.040 0.000 0.756 298 E HN 0.534 nan 8.360 nan 0.000 0.491 299 E N 0.487 120.691 120.200 0.006 0.000 2.204 299 E HA -0.136 4.214 4.350 0.001 0.000 0.195 299 E C 1.819 178.397 176.600 -0.036 0.000 0.990 299 E CA 0.746 57.142 56.400 -0.007 0.000 0.821 299 E CB 0.022 29.722 29.700 0.000 0.000 0.750 299 E HN 0.261 nan 8.360 nan 0.000 0.477 300 L N -0.634 120.542 121.223 -0.079 0.000 2.168 300 L HA 0.105 4.445 4.340 0.001 0.000 0.203 300 L C 0.060 176.830 176.870 -0.166 0.000 1.078 300 L CA 0.310 55.047 54.840 -0.172 0.000 0.780 300 L CB 0.460 42.304 42.059 -0.359 0.000 0.939 300 L HN -0.103 nan 8.230 nan 0.000 0.451 301 V N 0.863 120.705 119.914 -0.119 0.000 2.532 301 V HA 0.321 4.441 4.120 0.001 0.000 0.294 301 V C -2.385 173.691 176.094 -0.031 0.000 1.036 301 V CA -1.384 60.879 62.300 -0.061 0.000 0.876 301 V CB 1.801 33.596 31.823 -0.047 0.000 1.012 301 V HN -0.050 nan 8.190 nan 0.000 0.432 302 P HA 0.260 nan 4.420 nan 0.000 0.274 302 P C -0.482 176.789 177.300 -0.049 0.000 1.246 302 P CA -0.175 62.911 63.100 -0.024 0.000 0.795 302 P CB 1.393 33.092 31.700 -0.002 0.000 1.006 303 V N 1.725 121.587 119.914 -0.087 0.000 2.432 303 V HA 0.134 4.254 4.120 0.001 0.000 0.271 303 V C 0.759 176.819 176.094 -0.055 0.000 1.046 303 V CA 0.249 62.469 62.300 -0.134 0.000 0.945 303 V CB 0.326 31.992 31.823 -0.260 0.000 0.992 303 V HN 0.540 nan 8.190 nan 0.000 0.471 304 T N 6.851 121.374 114.554 -0.051 0.000 2.743 304 T HA 0.443 4.794 4.350 0.001 0.000 0.293 304 T C 0.041 174.708 174.700 -0.055 0.000 0.945 304 T CA -0.249 61.841 62.100 -0.017 0.000 1.030 304 T CB 0.437 69.288 68.868 -0.028 0.000 0.912 304 T HN 0.274 nan 8.240 nan 0.000 0.483 305 I N 4.709 125.306 120.570 0.046 0.000 2.371 305 I HA 0.187 4.357 4.170 0.001 0.000 0.290 305 I C 1.057 177.206 176.117 0.055 0.000 1.028 305 I CA -0.134 61.203 61.300 0.061 0.000 1.345 305 I CB 1.125 39.241 38.000 0.193 0.000 1.407 305 I HN 0.680 nan 8.210 nan 0.000 0.501 306 L N 5.139 126.278 121.223 -0.141 0.000 2.425 306 L HA 0.374 4.714 4.340 0.001 0.000 0.215 306 L C 1.035 177.908 176.870 0.005 0.000 1.065 306 L CA 0.232 54.905 54.840 -0.278 0.000 0.842 306 L CB 0.209 41.932 42.059 -0.560 0.000 1.033 306 L HN 0.829 nan 8.230 nan 0.000 0.474 307 G N -0.284 108.310 108.800 -0.342 0.000 2.321 307 G HA2 0.210 4.170 3.960 0.001 0.000 0.296 307 G HA3 0.210 4.170 3.960 0.001 0.000 0.296 307 G C -2.020 172.483 174.900 -0.663 0.000 1.287 307 G CA -0.617 43.917 45.100 -0.943 0.000 0.846 307 G HN -0.164 nan 8.290 nan 0.000 0.508 308 K N -0.255 119.757 120.400 -0.647 0.000 2.427 308 K HA 0.658 4.979 4.320 0.001 0.000 0.252 308 K C -0.799 175.915 176.600 0.190 0.000 0.931 308 K CA -0.806 55.464 56.287 -0.028 0.000 0.793 308 K CB 2.013 34.553 32.500 0.066 0.000 1.211 308 K HN 0.662 nan 8.250 nan 0.000 0.426 309 M N 3.834 123.752 119.600 0.530 0.000 2.209 309 M HA 0.237 4.718 4.480 0.001 0.000 0.355 309 M C -1.148 175.325 176.300 0.289 0.000 1.171 309 M CA -0.237 55.306 55.300 0.404 0.000 1.069 309 M CB 1.414 34.109 32.600 0.157 0.000 1.622 309 M HN 0.673 nan 8.290 nan 0.000 0.459 310 Q N 4.989 124.898 119.800 0.182 0.000 2.340 310 Q HA 0.518 4.859 4.340 0.001 0.000 0.268 310 Q C -2.012 174.026 176.000 0.064 0.000 1.031 310 Q CA -0.703 55.187 55.803 0.145 0.000 0.804 310 Q CB 1.788 30.579 28.738 0.088 0.000 1.286 310 Q HN 0.844 nan 8.270 nan 0.000 0.448 311 L N 4.247 125.533 121.223 0.105 0.000 2.264 311 L HA 0.396 4.736 4.340 0.001 0.000 0.289 311 L C 0.100 176.921 176.870 -0.081 0.000 1.044 311 L CA -0.349 54.502 54.840 0.018 0.000 0.807 311 L CB 0.697 42.815 42.059 0.098 0.000 1.192 311 L HN 0.768 nan 8.230 nan 0.000 0.425 312 N N 1.797 120.344 118.700 -0.256 0.000 2.081 312 N HA 0.123 4.863 4.740 0.001 0.000 0.230 312 N C -0.133 175.169 175.510 -0.346 0.000 1.351 312 N CA -0.539 52.080 53.050 -0.719 0.000 0.840 312 N CB 0.658 38.335 38.487 -1.351 0.000 1.189 312 N HN 0.458 nan 8.380 nan 0.000 0.503 313 R N 0.304 120.762 120.500 -0.070 0.000 2.548 313 R HA 0.368 4.708 4.340 0.001 0.000 0.280 313 R C -1.407 174.988 176.300 0.158 0.000 1.061 313 R CA -0.539 55.586 56.100 0.040 0.000 0.915 313 R CB 0.931 31.253 30.300 0.036 0.000 1.210 313 R HN 0.009 nan 8.270 nan 0.000 0.442 314 N N 3.522 122.297 118.700 0.126 0.000 2.503 314 N HA 0.257 4.997 4.740 0.001 0.000 0.267 314 N C -2.196 173.511 175.510 0.328 0.000 1.214 314 N CA -1.143 52.032 53.050 0.208 0.000 0.959 314 N CB 0.631 39.187 38.487 0.114 0.000 1.142 314 N HN 0.409 nan 8.380 nan 0.000 0.455 318 Y N 4.506 124.893 120.300 0.145 0.000 2.128 318 Y HA -0.202 4.349 4.550 0.001 0.000 0.284 318 Y C 1.793 177.773 175.900 0.133 0.000 1.154 318 Y CA 2.088 60.275 58.100 0.145 0.000 1.149 318 Y CB -0.191 38.348 38.460 0.132 0.000 0.976 318 Y HN 0.665 nan 8.280 nan 0.000 0.505 319 F N 0.346 120.473 119.950 0.294 0.000 2.075 319 F HA -0.170 4.357 4.527 0.001 0.000 0.297 319 F C 2.363 178.185 175.800 0.037 0.000 1.113 319 F CA 1.906 60.012 58.000 0.177 0.000 1.218 319 F CB -0.843 38.244 39.000 0.145 0.000 0.984 319 F HN 0.067 nan 8.300 nan 0.000 0.472 320 A N -0.413 122.513 122.820 0.177 0.000 1.933 320 A HA -0.144 4.176 4.320 0.001 0.000 0.218 320 A C 2.033 179.526 177.584 -0.152 0.000 1.175 320 A CA 1.971 54.038 52.037 0.050 0.000 0.628 320 A CB -0.606 18.478 19.000 0.139 0.000 0.814 320 A HN 0.599 nan 8.150 nan 0.000 0.444 321 E N -1.724 118.381 120.200 -0.158 0.000 2.083 321 E HA -0.009 4.341 4.350 0.001 0.000 0.193 321 E C 2.074 178.420 176.600 -0.423 0.000 0.950 321 E CA 1.036 57.256 56.400 -0.301 0.000 0.849 321 E CB -0.165 29.443 29.700 -0.153 0.000 0.827 321 E HN 0.439 nan 8.360 nan 0.000 0.465 322 T N 1.109 115.454 114.554 -0.349 0.000 2.770 322 T HA -0.125 4.225 4.350 0.001 0.000 0.263 322 T C 1.829 176.287 174.700 -0.402 0.000 1.039 322 T CA 1.424 63.308 62.100 -0.361 0.000 1.142 322 T CB -0.134 68.255 68.868 -0.798 0.000 0.868 322 T HN 0.021 nan 8.240 nan 0.000 0.435 323 E N 1.528 121.434 120.200 -0.491 0.000 2.106 323 E HA -0.081 4.269 4.350 0.001 0.000 0.192 323 E C 2.080 178.465 176.600 -0.359 0.000 0.984 323 E CA 1.281 57.483 56.400 -0.328 0.000 0.806 323 E CB -0.140 29.375 29.700 -0.309 0.000 0.750 323 E HN 0.488 nan 8.360 nan 0.000 0.458 324 Q N -0.422 119.102 119.800 -0.459 0.000 2.403 324 Q HA 0.116 4.456 4.340 0.001 0.000 0.203 324 Q C -0.049 175.781 176.000 -0.284 0.000 0.932 324 Q CA -0.122 55.465 55.803 -0.360 0.000 0.945 324 Q CB 0.792 29.311 28.738 -0.366 0.000 1.045 324 Q HN 0.119 nan 8.270 nan 0.000 0.511 325 V N 1.505 121.236 119.914 -0.305 0.000 2.585 325 V HA 0.041 4.161 4.120 0.001 0.000 0.296 325 V C -0.228 175.683 176.094 -0.304 0.000 1.035 325 V CA 0.643 62.723 62.300 -0.367 0.000 1.084 325 V CB 0.538 32.106 31.823 -0.425 0.000 0.953 325 V HN 0.251 nan 8.190 nan 0.000 0.483 326 M N 8.148 127.545 119.600 -0.339 0.000 2.016 326 M HA 0.428 4.909 4.480 0.001 0.000 0.315 326 M C -1.092 175.103 176.300 -0.175 0.000 0.930 326 M CA -0.069 55.111 55.300 -0.200 0.000 0.899 326 M CB 1.146 33.641 32.600 -0.175 0.000 1.401 326 M HN 0.501 nan 8.290 nan 0.000 0.386 327 F N 1.845 121.760 119.950 -0.059 0.000 2.410 327 F HA 0.376 4.903 4.527 0.001 0.000 0.334 327 F C 0.631 176.349 175.800 -0.138 0.000 1.134 327 F CA 0.354 58.308 58.000 -0.076 0.000 1.227 327 F CB 0.742 39.664 39.000 -0.130 0.000 1.194 327 F HN 0.397 nan 8.300 nan 0.000 0.571 328 Q N 2.675 122.387 119.800 -0.147 0.000 2.295 328 Q HA 0.203 4.543 4.340 0.001 0.000 0.268 328 Q C -2.197 173.545 176.000 -0.429 0.000 1.010 328 Q CA -1.740 53.796 55.803 -0.444 0.000 0.856 328 Q CB 2.495 30.767 28.738 -0.777 0.000 1.349 328 Q HN 0.211 nan 8.270 nan 0.000 0.412 329 P HA -0.114 nan 4.420 nan 0.000 0.222 329 P C 1.093 178.389 177.300 -0.007 0.000 1.147 329 P CA 1.087 64.046 63.100 -0.235 0.000 0.790 329 P CB 0.200 31.733 31.700 -0.279 0.000 0.780 330 G N -1.330 107.391 108.800 -0.132 0.000 2.679 330 G HA2 -0.139 3.821 3.960 0.001 0.000 0.212 330 G HA3 -0.139 3.821 3.960 0.001 0.000 0.212 330 G C 0.435 175.373 174.900 0.064 0.000 1.137 330 G CA 0.114 45.213 45.100 -0.000 0.000 0.787 330 G HN 0.330 nan 8.290 nan 0.000 0.534 331 H N 0.279 119.361 119.070 0.021 0.000 3.216 331 H HA 0.326 4.883 4.556 0.000 0.000 0.263 331 H C -0.152 175.247 175.328 0.120 0.000 1.601 331 H CA -0.485 55.573 56.048 0.018 0.000 1.509 331 H CB -0.077 29.664 29.762 -0.035 0.000 1.759 331 H HN 0.210 nan 8.280 nan 0.000 0.533 332 I N 2.024 122.710 120.570 0.192 0.000 2.797 332 I HA 0.406 4.577 4.170 0.001 0.000 0.307 332 I C -0.300 175.819 176.117 0.002 0.000 1.033 332 I CA -1.126 60.258 61.300 0.140 0.000 1.071 332 I CB 1.715 39.690 38.000 -0.041 0.000 1.255 332 I HN 0.165 nan 8.210 nan 0.000 0.445 333 V N 3.059 122.912 119.914 -0.102 0.000 3.046 333 V HA 0.581 4.701 4.120 0.001 0.000 0.316 333 V C -0.044 176.063 176.094 0.021 0.000 1.104 333 V CA -1.097 61.173 62.300 -0.050 0.000 1.006 333 V CB 1.538 33.265 31.823 -0.159 0.000 1.058 333 V HN 0.879 nan 8.190 nan 0.000 0.440 334 R N 0.909 121.456 120.500 0.078 0.000 2.494 334 R HA 0.364 4.704 4.340 0.001 0.000 0.291 334 R C 1.164 177.351 176.300 -0.188 0.000 0.953 334 R CA 1.597 57.654 56.100 -0.072 0.000 1.098 334 R CB -0.216 30.099 30.300 0.025 0.000 0.911 334 R HN 1.907 nan 8.270 nan 0.000 0.407 335 G N 2.135 110.726 108.800 -0.347 0.000 2.211 335 G HA2 -0.208 3.753 3.960 0.001 0.000 0.201 335 G HA3 -0.208 3.753 3.960 0.001 0.000 0.201 335 G C -0.560 174.165 174.900 -0.292 0.000 0.997 335 G CA -0.094 44.834 45.100 -0.287 0.000 0.652 335 G HN 0.569 nan 8.290 nan 0.000 0.500 336 V N 0.367 120.099 119.914 -0.303 0.000 2.876 336 V HA 0.853 4.973 4.120 0.001 0.000 0.312 336 V C -0.599 175.368 176.094 -0.212 0.000 1.085 336 V CA -0.480 61.687 62.300 -0.221 0.000 0.945 336 V CB 2.120 33.786 31.823 -0.261 0.000 1.017 336 V HN 0.298 nan 8.190 nan 0.000 0.428 337 D N 0.217 120.511 120.400 -0.176 0.000 2.626 337 D HA 0.604 5.245 4.640 0.001 0.000 0.278 337 D C -1.214 174.985 176.300 -0.168 0.000 1.211 337 D CA -0.382 53.458 54.000 -0.267 0.000 0.903 337 D CB 1.942 42.618 40.800 -0.206 0.000 1.408 337 D HN 0.158 nan 8.370 nan 0.000 0.454 338 F N -0.014 120.040 119.950 0.174 0.000 2.368 338 F HA 0.524 5.051 4.527 0.000 0.000 0.315 338 F C 1.391 177.179 175.800 -0.020 0.000 1.145 338 F CA -0.401 57.640 58.000 0.068 0.000 1.095 338 F CB 0.973 39.986 39.000 0.021 0.000 1.286 338 F HN 0.191 nan 8.300 nan 0.000 0.530 339 T N -3.076 111.529 114.554 0.085 0.000 2.910 339 T HA 0.437 4.788 4.350 0.001 0.000 0.287 339 T C 0.002 174.696 174.700 -0.011 0.000 1.050 339 T CA -0.748 61.360 62.100 0.014 0.000 1.011 339 T CB 1.506 70.350 68.868 -0.039 0.000 1.195 339 T HN 0.406 nan 8.240 nan 0.000 0.540 340 E N 0.659 120.859 120.200 0.001 0.000 2.416 340 E HA 0.130 4.480 4.350 0.001 0.000 0.189 340 E C -0.009 176.601 176.600 0.016 0.000 1.091 340 E CA -0.122 56.278 56.400 -0.000 0.000 0.889 340 E CB -0.243 29.464 29.700 0.010 0.000 1.015 340 E HN 0.580 nan 8.360 nan 0.000 0.479 341 D N 1.116 121.515 120.400 -0.002 0.000 2.451 341 D HA -0.050 4.590 4.640 0.001 0.000 0.254 341 D C -1.663 174.638 176.300 0.002 0.000 1.204 341 D CA -1.590 52.437 54.000 0.044 0.000 0.896 341 D CB 1.154 41.933 40.800 -0.035 0.000 1.136 341 D HN -0.037 nan 8.370 nan 0.000 0.499 342 P HA -0.072 nan 4.420 nan 0.000 0.226 342 P C 1.366 178.682 177.300 0.026 0.000 1.153 342 P CA 0.146 63.276 63.100 0.050 0.000 0.777 342 P CB 0.293 32.057 31.700 0.106 0.000 0.794 343 L N -0.671 120.582 121.223 0.050 0.000 2.049 343 L HA -0.033 4.308 4.340 0.001 0.000 0.203 343 L C 2.145 178.940 176.870 -0.125 0.000 1.074 343 L CA 1.443 56.311 54.840 0.047 0.000 0.749 343 L CB -1.498 40.675 42.059 0.190 0.000 0.907 343 L HN -0.143 nan 8.230 nan 0.000 0.439 344 L N -0.485 120.482 121.223 -0.426 0.000 2.013 344 L HA -0.255 4.085 4.340 0.001 0.000 0.212 344 L C 2.496 179.121 176.870 -0.408 0.000 1.073 344 L CA 1.831 56.213 54.840 -0.763 0.000 0.753 344 L CB -0.936 40.461 42.059 -1.103 0.000 0.890 344 L HN 0.385 nan 8.230 nan 0.000 0.432 345 Q N -0.244 119.384 119.800 -0.287 0.000 2.077 345 Q HA -0.175 4.165 4.340 0.001 0.000 0.206 345 Q C 2.094 177.991 176.000 -0.171 0.000 0.989 345 Q CA 1.947 57.615 55.803 -0.226 0.000 0.853 345 Q CB -0.874 27.785 28.738 -0.132 0.000 0.907 345 Q HN 0.701 nan 8.270 nan 0.000 0.418 346 G N 0.070 108.805 108.800 -0.108 0.000 2.494 346 G HA2 -0.163 3.798 3.960 0.001 0.000 0.216 346 G HA3 -0.163 3.798 3.960 0.001 0.000 0.216 346 G C 1.500 176.403 174.900 0.006 0.000 1.140 346 G CA 0.041 45.119 45.100 -0.036 0.000 0.801 346 G HN 0.233 nan 8.290 nan 0.000 0.536 347 R N -0.072 120.394 120.500 -0.056 0.000 2.103 347 R HA -0.058 4.282 4.340 0.001 0.000 0.242 347 R C 2.492 178.821 176.300 0.048 0.000 1.142 347 R CA 1.155 57.272 56.100 0.029 0.000 0.960 347 R CB -0.525 29.741 30.300 -0.057 0.000 0.858 347 R HN 0.339 nan 8.270 nan 0.000 0.439 348 L N -0.494 120.655 121.223 -0.123 0.000 2.043 348 L HA -0.238 4.102 4.340 0.001 0.000 0.212 348 L C 2.363 179.214 176.870 -0.031 0.000 1.075 348 L CA 1.394 56.130 54.840 -0.173 0.000 0.752 348 L CB -0.524 41.319 42.059 -0.360 0.000 0.891 348 L HN 0.171 nan 8.230 nan 0.000 0.432 349 F N 0.141 120.032 119.950 -0.098 0.000 2.113 349 F HA -0.231 4.296 4.527 0.000 0.000 0.297 349 F C 2.838 178.616 175.800 -0.037 0.000 1.103 349 F CA 1.702 59.664 58.000 -0.062 0.000 1.248 349 F CB -0.346 38.618 39.000 -0.061 0.000 0.999 349 F HN -0.023 nan 8.300 nan 0.000 0.475 350 S N -0.705 114.963 115.700 -0.054 0.000 2.368 350 S HA -0.238 4.232 4.470 0.001 0.000 0.225 350 S C 1.994 176.413 174.600 -0.301 0.000 1.030 350 S CA 1.586 59.654 58.200 -0.220 0.000 0.999 350 S CB -0.770 62.339 63.200 -0.151 0.000 0.844 350 S HN 0.513 nan 8.310 nan 0.000 0.459 351 Y N 0.780 120.909 120.300 -0.286 0.000 2.516 351 Y HA 0.183 4.733 4.550 0.001 0.000 0.291 351 Y C 1.937 177.630 175.900 -0.345 0.000 1.131 351 Y CA 0.366 58.293 58.100 -0.288 0.000 1.281 351 Y CB -0.349 37.955 38.460 -0.259 0.000 1.013 351 Y HN 0.294 nan 8.280 nan 0.000 0.554 352 L N 0.200 121.305 121.223 -0.198 0.000 2.068 352 L HA -0.087 4.253 4.340 0.001 0.000 0.204 352 L C 1.964 178.648 176.870 -0.310 0.000 1.076 352 L CA 1.939 56.652 54.840 -0.213 0.000 0.753 352 L CB -0.750 41.227 42.059 -0.135 0.000 0.910 352 L HN 0.137 nan 8.230 nan 0.000 0.439 353 D N -1.516 118.623 120.400 -0.435 0.000 2.097 353 D HA -0.248 4.392 4.640 0.001 0.000 0.195 353 D C 2.079 178.186 176.300 -0.321 0.000 0.989 353 D CA 1.821 55.567 54.000 -0.425 0.000 0.827 353 D CB -0.203 40.164 40.800 -0.722 0.000 0.966 353 D HN 0.322 nan 8.370 nan 0.000 0.456 354 T N -0.987 113.364 114.554 -0.338 0.000 2.881 354 T HA -0.128 4.222 4.350 0.001 0.000 0.270 354 T C 1.620 176.143 174.700 -0.295 0.000 1.068 354 T CA 1.097 63.035 62.100 -0.270 0.000 1.131 354 T CB -0.221 68.481 68.868 -0.277 0.000 0.871 354 T HN 0.146 nan 8.240 nan 0.000 0.479 355 Q N 0.748 120.265 119.800 -0.471 0.000 2.291 355 Q HA 0.056 4.396 4.340 0.001 0.000 0.206 355 Q C 2.343 178.105 176.000 -0.396 0.000 0.976 355 Q CA 0.747 56.162 55.803 -0.646 0.000 0.875 355 Q CB -0.594 27.256 28.738 -1.479 0.000 0.927 355 Q HN 0.521 nan 8.270 nan 0.000 0.450 356 L N 1.244 122.320 121.223 -0.245 0.000 2.083 356 L HA -0.185 4.155 4.340 0.001 0.000 0.209 356 L C 2.436 179.308 176.870 0.002 0.000 1.083 356 L CA 1.285 56.127 54.840 0.003 0.000 0.752 356 L CB -0.593 41.475 42.059 0.014 0.000 0.899 356 L HN 0.332 nan 8.230 nan 0.000 0.433 357 N N 0.733 119.401 118.700 -0.054 0.000 2.106 357 N HA -0.189 4.552 4.740 0.001 0.000 0.188 357 N C 2.038 177.540 175.510 -0.014 0.000 1.029 357 N CA 1.405 54.437 53.050 -0.030 0.000 0.848 357 N CB 0.091 38.550 38.487 -0.047 0.000 1.007 357 N HN 0.294 nan 8.380 nan 0.000 0.423 358 R N -1.042 119.438 120.500 -0.034 0.000 2.073 358 R HA -0.091 4.249 4.340 0.001 0.000 0.229 358 R C 2.115 178.452 176.300 0.061 0.000 1.120 358 R CA 1.320 57.416 56.100 -0.007 0.000 0.967 358 R CB -0.374 29.895 30.300 -0.052 0.000 0.862 358 R HN 0.392 nan 8.270 nan 0.000 0.436 359 H N -0.892 118.163 119.070 -0.025 0.000 2.525 359 H HA 0.123 4.679 4.556 0.001 0.000 0.275 359 H C 0.990 176.348 175.328 0.051 0.000 0.984 359 H CA 1.100 57.170 56.048 0.037 0.000 1.264 359 H CB 0.355 30.188 29.762 0.119 0.000 1.432 359 H HN 0.365 nan 8.280 nan 0.000 0.549 360 G N -1.035 107.783 108.800 0.031 0.000 2.148 360 G HA2 -0.112 3.848 3.960 0.001 0.000 0.254 360 G HA3 -0.112 3.848 3.960 0.001 0.000 0.254 360 G C 0.541 175.441 174.900 0.000 0.000 0.981 360 G CA 0.467 45.557 45.100 -0.017 0.000 0.670 360 G HN 0.973 nan 8.290 nan 0.000 0.528 361 G N -1.784 107.087 108.800 0.117 0.000 2.430 361 G HA2 0.726 4.686 3.960 0.001 0.000 0.300 361 G HA3 0.726 4.686 3.960 0.001 0.000 0.300 361 G C -2.230 172.876 174.900 0.342 0.000 1.330 361 G CA 0.342 45.537 45.100 0.159 0.000 0.813 361 G HN 0.206 nan 8.290 nan 0.000 0.487 362 P HA 0.108 nan 4.420 nan 0.000 0.245 362 P C 0.274 177.406 177.300 -0.279 0.000 1.203 362 P CA 0.338 63.487 63.100 0.081 0.000 0.792 362 P CB 0.426 32.135 31.700 0.015 0.000 0.997 363 N N 0.418 119.033 118.700 -0.142 0.000 2.378 363 N HA 0.081 4.821 4.740 0.001 0.000 0.243 363 N C 0.983 176.176 175.510 -0.528 0.000 1.137 363 N CA -0.177 52.673 53.050 -0.333 0.000 0.862 363 N CB -0.518 37.870 38.487 -0.166 0.000 1.116 363 N HN 0.222 nan 8.380 nan 0.000 0.499 364 F N 0.664 120.297 119.950 -0.529 0.000 2.269 364 F HA 0.065 4.592 4.527 0.000 0.000 0.301 364 F C 1.660 177.193 175.800 -0.445 0.000 1.082 364 F CA 0.611 58.062 58.000 -0.915 0.000 1.360 364 F CB -0.291 38.328 39.000 -0.636 0.000 1.041 364 F HN -0.095 nan 8.300 nan 0.000 0.512 365 E N 1.028 120.916 120.200 -0.520 0.000 2.478 365 E HA -0.133 4.217 4.350 0.001 0.000 0.198 365 E C 1.700 178.184 176.600 -0.193 0.000 1.046 365 E CA 0.653 56.916 56.400 -0.229 0.000 0.870 365 E CB -0.456 29.114 29.700 -0.217 0.000 0.818 365 E HN 0.711 nan 8.360 nan 0.000 0.527 366 Q N 0.077 119.712 119.800 -0.275 0.000 2.425 366 Q HA 0.130 4.470 4.340 0.001 0.000 0.204 366 Q C 0.540 176.413 176.000 -0.211 0.000 0.933 366 Q CA -0.076 55.572 55.803 -0.259 0.000 0.939 366 Q CB 0.273 28.706 28.738 -0.509 0.000 1.044 366 Q HN 0.219 nan 8.270 nan 0.000 0.513 367 L N 2.002 123.101 121.223 -0.208 0.000 2.490 367 L HA -0.021 4.320 4.340 0.001 0.000 0.274 367 L C -1.504 175.232 176.870 -0.223 0.000 1.201 367 L CA -1.185 53.536 54.840 -0.197 0.000 0.869 367 L CB 0.111 42.069 42.059 -0.169 0.000 1.123 367 L HN -0.111 nan 8.230 nan 0.000 0.484 368 P HA -0.253 nan 4.420 nan 0.000 0.217 368 P C 1.573 178.803 177.300 -0.117 0.000 1.158 368 P CA 1.294 64.134 63.100 -0.432 0.000 0.887 368 P CB 0.174 31.361 31.700 -0.854 0.000 0.792 369 I N -1.135 119.329 120.570 -0.176 0.000 2.614 369 I HA -0.140 4.030 4.170 0.001 0.000 0.258 369 I C 1.269 177.317 176.117 -0.116 0.000 1.189 369 I CA 1.553 62.740 61.300 -0.189 0.000 1.462 369 I CB -0.529 37.242 38.000 -0.382 0.000 1.092 369 I HN -0.103 nan 8.210 nan 0.000 0.442 370 N N 0.140 118.766 118.700 -0.124 0.000 2.325 370 N HA 0.088 4.829 4.740 0.001 0.000 0.182 370 N C 0.505 175.977 175.510 -0.064 0.000 1.088 370 N CA 0.131 53.110 53.050 -0.118 0.000 0.879 370 N CB 0.068 38.483 38.487 -0.120 0.000 0.983 370 N HN 0.296 nan 8.380 nan 0.000 0.471 371 R N 1.707 122.202 120.500 -0.009 0.000 2.643 371 R HA 0.148 4.488 4.340 0.001 0.000 0.270 371 R C -2.047 174.223 176.300 -0.050 0.000 1.061 371 R CA -0.955 55.152 56.100 0.012 0.000 1.107 371 R CB 0.258 30.656 30.300 0.163 0.000 0.999 371 R HN 0.099 nan 8.270 nan 0.000 0.460 372 P HA 0.134 nan 4.420 nan 0.000 0.276 372 P C -0.749 176.402 177.300 -0.249 0.000 1.261 372 P CA -0.320 62.728 63.100 -0.088 0.000 0.800 372 P CB 0.774 32.425 31.700 -0.082 0.000 1.066 373 R N -0.019 120.365 120.500 -0.194 0.000 3.130 373 R HA 0.674 5.015 4.340 0.001 0.000 0.348 373 R C -0.138 176.103 176.300 -0.098 0.000 1.241 373 R CA -0.467 55.482 56.100 -0.252 0.000 1.141 373 R CB -0.288 29.869 30.300 -0.238 0.000 1.453 373 R HN 0.560 nan 8.270 nan 0.000 0.590 374 A N 0.802 123.576 122.820 -0.078 0.000 2.606 374 A HA 0.702 5.023 4.320 0.001 0.000 0.293 374 A C -2.798 174.756 177.584 -0.051 0.000 1.082 374 A CA -1.380 50.637 52.037 -0.033 0.000 0.685 374 A CB 1.453 20.447 19.000 -0.010 0.000 1.284 374 A HN 0.013 nan 8.150 nan 0.000 0.408 375 P HA 0.490 nan 4.420 nan 0.000 0.269 375 P C -0.984 176.217 177.300 -0.164 0.000 1.209 375 P CA 0.224 63.270 63.100 -0.089 0.000 0.776 375 P CB 0.344 32.086 31.700 0.070 0.000 0.876 376 I N 3.315 123.655 120.570 -0.385 0.000 2.436 376 I HA 0.340 4.510 4.170 0.001 0.000 0.289 376 I C -0.182 175.557 176.117 -0.630 0.000 1.010 376 I CA -0.462 60.642 61.300 -0.328 0.000 1.098 376 I CB 1.152 39.023 38.000 -0.216 0.000 1.266 376 I HN 0.319 nan 8.210 nan 0.000 0.434 377 H N 5.337 124.395 119.070 -0.020 0.000 3.277 377 H HA 0.396 4.952 4.556 0.000 0.000 0.329 377 H C -1.370 173.955 175.328 -0.005 0.000 1.034 377 H CA -0.835 55.201 56.048 -0.019 0.000 1.530 377 H CB 1.582 31.331 29.762 -0.022 0.000 1.837 377 H HN 0.780 nan 8.280 nan 0.000 0.493 378 N N 0.770 119.523 118.700 0.088 0.000 3.106 378 N HA 0.100 4.840 4.740 0.001 0.000 0.253 378 N C -0.448 175.092 175.510 0.049 0.000 1.506 378 N CA -0.726 52.362 53.050 0.063 0.000 0.876 378 N CB 0.477 38.993 38.487 0.048 0.000 1.452 378 N HN 0.047 nan 8.380 nan 0.000 0.542 379 N N -0.706 118.020 118.700 0.042 0.000 2.268 379 N HA 0.147 4.888 4.740 0.001 0.000 0.204 379 N C -0.826 174.712 175.510 0.047 0.000 1.124 379 N CA -0.122 52.953 53.050 0.042 0.000 0.838 379 N CB -0.495 38.017 38.487 0.042 0.000 0.994 379 N HN 0.436 nan 8.380 nan 0.000 0.489 380 N N 1.664 120.388 118.700 0.039 0.000 2.492 380 N HA 0.099 4.840 4.740 0.001 0.000 0.260 380 N C 0.227 175.757 175.510 0.033 0.000 1.215 380 N CA 0.488 53.556 53.050 0.030 0.000 0.923 380 N CB 0.869 39.363 38.487 0.012 0.000 1.092 380 N HN -0.019 nan 8.380 nan 0.000 0.448 381 R N 1.237 121.753 120.500 0.027 0.000 2.774 381 R HA 0.326 4.667 4.340 0.001 0.000 0.272 381 R C -0.110 176.198 176.300 0.013 0.000 1.000 381 R CA -0.513 55.605 56.100 0.029 0.000 0.906 381 R CB 1.211 31.534 30.300 0.039 0.000 1.227 381 R HN 0.587 nan 8.270 nan 0.000 0.468 382 D N 0.100 120.507 120.400 0.012 0.000 3.396 382 D HA -0.209 4.431 4.640 0.001 0.000 0.196 382 D C 0.298 176.590 176.300 -0.013 0.000 1.347 382 D CA 2.031 56.033 54.000 0.003 0.000 1.106 382 D CB -1.047 39.759 40.800 0.010 0.000 0.619 382 D HN 0.902 nan 8.370 nan 0.000 0.728 383 G N -0.831 107.964 108.800 -0.008 0.000 2.722 383 G HA2 0.408 4.368 3.960 0.001 0.000 0.686 383 G HA3 0.408 4.368 3.960 0.001 0.000 0.686 383 G C 0.128 175.020 174.900 -0.013 0.000 1.282 383 G CA 0.419 45.513 45.100 -0.010 0.000 0.817 383 G HN 1.517 nan 8.290 nan 0.000 0.605 384 A N 0.669 123.486 122.820 -0.005 0.000 2.555 384 A HA 0.637 4.958 4.320 0.001 0.000 0.233 384 A C 2.123 179.696 177.584 -0.018 0.000 1.060 384 A CA 2.110 54.138 52.037 -0.014 0.000 0.759 384 A CB -0.094 18.897 19.000 -0.016 0.000 0.995 384 A HN 2.961 nan 8.150 nan 0.000 0.506 385 G N 0.319 109.100 108.800 -0.032 0.000 2.246 385 G HA2 -0.187 3.774 3.960 0.001 0.000 0.273 385 G HA3 -0.187 3.774 3.960 0.001 0.000 0.273 385 G C 0.134 174.994 174.900 -0.067 0.000 1.055 385 G CA 0.698 45.777 45.100 -0.036 0.000 0.851 385 G HN 1.434 nan 8.290 nan 0.000 0.500 386 Q N -0.031 119.726 119.800 -0.072 0.000 2.307 386 Q HA 0.558 4.899 4.340 0.001 0.000 0.261 386 Q C 1.504 177.425 176.000 -0.131 0.000 1.051 386 Q CA -0.262 55.475 55.803 -0.109 0.000 0.911 386 Q CB 0.360 29.066 28.738 -0.053 0.000 1.227 386 Q HN 0.308 nan 8.270 nan 0.000 0.418 387 M N 3.327 122.756 119.600 -0.284 0.000 2.509 387 M HA 0.170 4.651 4.480 0.001 0.000 0.250 387 M C -0.525 175.704 176.300 -0.118 0.000 1.132 387 M CA 0.347 55.486 55.300 -0.270 0.000 1.080 387 M CB -0.121 32.211 32.600 -0.447 0.000 1.408 387 M HN 0.398 nan 8.290 nan 0.000 0.484 388 F N 0.493 120.444 119.950 0.001 0.000 2.457 388 F HA 0.539 5.067 4.527 0.000 0.000 0.330 388 F C 0.402 176.204 175.800 0.003 0.000 1.069 388 F CA -1.967 56.034 58.000 0.001 0.000 1.009 388 F CB 0.652 39.646 39.000 -0.010 0.000 1.276 388 F HN -0.211 nan 8.300 nan 0.000 0.492 389 I N 2.867 123.570 120.570 0.222 0.000 2.495 389 I HA 0.266 4.437 4.170 0.001 0.000 0.277 389 I C -2.421 173.749 176.117 0.088 0.000 1.045 389 I CA -1.775 59.595 61.300 0.117 0.000 1.135 389 I CB 1.106 39.154 38.000 0.081 0.000 1.241 389 I HN 0.270 nan 8.210 nan 0.000 0.469 390 P HA 0.211 nan 4.420 nan 0.000 0.271 390 P C 0.734 178.061 177.300 0.044 0.000 1.226 390 P CA -0.226 62.911 63.100 0.061 0.000 0.765 390 P CB 0.966 32.704 31.700 0.065 0.000 0.835 391 L N 0.676 121.919 121.223 0.034 0.000 2.240 391 L HA 0.009 4.349 4.340 0.001 0.000 0.211 391 L C 0.882 177.764 176.870 0.021 0.000 1.106 391 L CA 0.644 55.499 54.840 0.025 0.000 0.793 391 L CB -0.290 41.780 42.059 0.018 0.000 0.927 391 L HN 0.391 nan 8.230 nan 0.000 0.446 392 D N 1.332 121.744 120.400 0.020 0.000 2.336 392 D HA 0.072 4.713 4.640 0.001 0.000 0.249 392 D C -1.492 174.819 176.300 0.020 0.000 1.213 392 D CA -2.006 51.999 54.000 0.007 0.000 0.870 392 D CB 1.199 41.994 40.800 -0.008 0.000 1.076 392 D HN -0.038 nan 8.370 nan 0.000 0.483 393 P HA 0.067 nan 4.420 nan 0.000 0.249 393 P C -0.523 176.825 177.300 0.079 0.000 1.229 393 P CA 0.081 63.209 63.100 0.048 0.000 0.788 393 P CB 0.366 32.093 31.700 0.044 0.000 1.072 394 N N 0.921 119.655 118.700 0.057 0.000 2.976 394 N HA 0.285 5.026 4.740 0.001 0.000 0.255 394 N C -0.386 175.079 175.510 -0.075 0.000 1.312 394 N CA -0.242 52.864 53.050 0.093 0.000 0.897 394 N CB 1.129 39.617 38.487 0.002 0.000 1.184 394 N HN -0.012 nan 8.380 nan 0.000 0.497 395 A N 2.106 124.999 122.820 0.121 0.000 3.168 395 A HA 0.358 4.679 4.320 0.001 0.000 0.260 395 A C -0.746 176.923 177.584 0.141 0.000 1.598 395 A CA -0.305 51.768 52.037 0.060 0.000 1.285 395 A CB -0.865 18.184 19.000 0.081 0.000 1.149 395 A HN 0.531 nan 8.150 nan 0.000 0.630 396 Y N -2.686 117.626 120.300 0.021 0.000 2.609 396 Y HA 0.773 5.323 4.550 0.001 0.000 0.336 396 Y C -0.414 175.497 175.900 0.019 0.000 1.129 396 Y CA -1.378 56.734 58.100 0.020 0.000 1.040 396 Y CB 0.665 39.135 38.460 0.017 0.000 1.310 396 Y HN -0.009 nan 8.280 nan 0.000 0.460 397 S N 1.885 117.659 115.700 0.123 0.000 2.566 397 S HA 0.732 5.202 4.470 0.001 0.000 0.298 397 S C -2.745 171.958 174.600 0.171 0.000 1.083 397 S CA -1.181 57.065 58.200 0.076 0.000 0.978 397 S CB 1.244 64.468 63.200 0.040 0.000 1.073 397 S HN 0.614 nan 8.310 nan 0.000 0.491 398 P HA 0.436 nan 4.420 nan 0.000 0.279 398 P C -1.022 176.351 177.300 0.123 0.000 1.239 398 P CA -0.598 62.553 63.100 0.084 0.000 0.789 398 P CB 0.265 32.005 31.700 0.067 0.000 0.933 399 N N -1.397 117.289 118.700 -0.023 0.000 2.292 399 N HA 0.464 5.204 4.740 0.001 0.000 0.303 399 N C 0.366 175.862 175.510 -0.023 0.000 1.140 399 N CA -0.691 52.321 53.050 -0.064 0.000 0.788 399 N CB 1.293 39.447 38.487 -0.556 0.000 1.361 399 N HN 0.303 nan 8.380 nan 0.000 0.489 400 T N -3.220 111.351 114.554 0.029 0.000 2.990 400 T HA 0.156 4.507 4.350 0.001 0.000 0.249 400 T C 0.824 175.523 174.700 -0.001 0.000 1.039 400 T CA 0.086 62.193 62.100 0.011 0.000 1.036 400 T CB -0.157 68.730 68.868 0.031 0.000 0.994 400 T HN 0.409 nan 8.240 nan 0.000 0.489 401 E N 1.884 122.094 120.200 0.015 0.000 2.268 401 E HA -0.002 4.348 4.350 0.001 0.000 0.195 401 E C 0.961 177.542 176.600 -0.032 0.000 0.995 401 E CA 0.725 57.135 56.400 0.016 0.000 0.836 401 E CB -0.161 29.588 29.700 0.082 0.000 0.763 401 E HN 0.524 nan 8.360 nan 0.000 0.491 402 N N 0.220 118.867 118.700 -0.088 0.000 2.338 402 N HA 0.040 4.780 4.740 0.001 0.000 0.251 402 N C -0.793 174.671 175.510 -0.077 0.000 1.199 402 N CA -0.038 52.959 53.050 -0.088 0.000 0.879 402 N CB 0.023 38.434 38.487 -0.127 0.000 1.159 402 N HN -0.099 nan 8.380 nan 0.000 0.514 403 K N -0.728 119.639 120.400 -0.056 0.000 3.088 403 K HA -0.210 4.111 4.320 0.001 0.000 0.273 403 K C 0.597 177.166 176.600 -0.050 0.000 1.111 403 K CA 0.575 56.836 56.287 -0.043 0.000 0.803 403 K CB -1.890 30.588 32.500 -0.037 0.000 1.226 403 K HN 0.433 nan 8.250 nan 0.000 0.485 404 G N -0.349 108.411 108.800 -0.066 0.000 2.143 404 G HA2 -0.324 3.636 3.960 0.001 0.000 0.249 404 G HA3 -0.324 3.636 3.960 0.001 0.000 0.249 404 G C -0.093 174.767 174.900 -0.066 0.000 0.981 404 G CA 0.382 45.446 45.100 -0.060 0.000 0.665 404 G HN 0.527 nan 8.290 nan 0.000 0.528 405 S N 0.422 116.073 115.700 -0.082 0.000 2.537 405 S HA 0.770 5.241 4.470 0.001 0.000 0.301 405 S C -2.465 172.081 174.600 -0.090 0.000 1.092 405 S CA -1.359 56.793 58.200 -0.080 0.000 1.048 405 S CB 1.746 64.895 63.200 -0.084 0.000 1.053 405 S HN 0.077 nan 8.310 nan 0.000 0.501 406 P HA 0.220 nan 4.420 nan 0.000 0.269 406 P C -1.091 176.190 177.300 -0.032 0.000 1.209 406 P CA -0.203 62.871 63.100 -0.043 0.000 0.776 406 P CB 0.304 32.006 31.700 0.003 0.000 0.876 407 K N 2.226 122.609 120.400 -0.029 0.000 2.172 407 K HA 0.205 4.525 4.320 0.001 0.000 0.276 407 K C 0.349 176.951 176.600 0.003 0.000 1.013 407 K CA -0.683 55.594 56.287 -0.017 0.000 0.913 407 K CB 0.508 32.993 32.500 -0.025 0.000 1.055 407 K HN 0.397 nan 8.250 nan 0.000 0.461 408 Q N 1.014 120.820 119.800 0.010 0.000 2.315 408 Q HA 0.092 4.433 4.340 0.001 0.000 0.289 408 Q C -0.409 175.608 176.000 0.027 0.000 1.044 408 Q CA 0.286 56.104 55.803 0.026 0.000 0.920 408 Q CB 0.977 29.730 28.738 0.025 0.000 1.214 408 Q HN 0.659 nan 8.270 nan 0.000 0.392 409 A N 3.436 126.283 122.820 0.046 0.000 2.343 409 A HA 0.654 4.974 4.320 0.001 0.000 0.316 409 A C -0.197 177.427 177.584 0.067 0.000 1.104 409 A CA -0.603 51.464 52.037 0.050 0.000 0.768 409 A CB 0.774 19.812 19.000 0.064 0.000 1.213 409 A HN 0.875 nan 8.150 nan 0.000 0.456 410 N N 0.495 119.219 118.700 0.040 0.000 3.574 410 N HA 0.182 4.922 4.740 0.001 0.000 0.340 410 N C 0.580 176.067 175.510 -0.038 0.000 1.650 410 N CA -0.084 52.985 53.050 0.032 0.000 0.762 410 N CB 0.118 38.608 38.487 0.005 0.000 2.206 410 N HN 0.470 nan 8.380 nan 0.000 0.621 411 E N -0.922 119.167 120.200 -0.185 0.000 2.085 411 E HA -0.174 4.176 4.350 0.001 0.000 0.194 411 E C 0.762 177.178 176.600 -0.308 0.000 0.994 411 E CA 2.386 58.486 56.400 -0.500 0.000 0.801 411 E CB -0.129 29.016 29.700 -0.925 0.000 0.743 411 E HN 0.755 nan 8.360 nan 0.000 0.453 412 T N -2.221 112.213 114.554 -0.200 0.000 3.044 412 T HA 0.137 4.487 4.350 0.001 0.000 0.250 412 T C 0.369 175.022 174.700 -0.078 0.000 1.081 412 T CA 0.158 62.175 62.100 -0.137 0.000 1.040 412 T CB 0.446 69.240 68.868 -0.123 0.000 0.962 412 T HN 0.041 nan 8.240 nan 0.000 0.506 413 V N -2.874 117.006 119.914 -0.056 0.000 2.668 413 V HA 0.844 4.964 4.120 0.001 0.000 0.304 413 V C 0.777 176.866 176.094 -0.007 0.000 1.071 413 V CA -0.356 61.927 62.300 -0.029 0.000 0.894 413 V CB 0.735 32.543 31.823 -0.025 0.000 1.008 413 V HN 0.539 nan 8.190 nan 0.000 0.425 414 G N 2.432 111.232 108.800 0.001 0.000 2.159 414 G HA2 -0.274 3.686 3.960 0.001 0.000 0.256 414 G HA3 -0.274 3.686 3.960 0.001 0.000 0.256 414 G C 0.431 175.353 174.900 0.037 0.000 0.977 414 G CA 0.259 45.370 45.100 0.017 0.000 0.652 414 G HN 1.544 nan 8.290 nan 0.000 0.531 415 K N -1.184 119.237 120.400 0.035 0.000 3.096 415 K HA -0.135 4.185 4.320 0.001 0.000 0.266 415 K C 1.225 177.886 176.600 0.102 0.000 1.043 415 K CA 0.575 56.899 56.287 0.062 0.000 0.758 415 K CB -1.652 30.882 32.500 0.056 0.000 1.260 415 K HN 1.508 nan 8.250 nan 0.000 0.481 416 G N 0.631 109.496 108.800 0.108 0.000 2.491 416 G HA2 0.201 4.162 3.960 0.001 0.000 0.238 416 G HA3 0.201 4.162 3.960 0.001 0.000 0.238 416 G C -0.131 174.918 174.900 0.248 0.000 1.277 416 G CA -0.533 44.666 45.100 0.165 0.000 0.851 416 G HN 0.270 nan 8.290 nan 0.000 0.573 417 F N 1.976 121.999 119.950 0.121 0.000 2.628 417 F HA 0.434 4.961 4.527 0.001 0.000 0.362 417 F C 0.063 175.999 175.800 0.227 0.000 1.148 417 F CA -0.200 57.852 58.000 0.088 0.000 1.352 417 F CB 0.228 39.246 39.000 0.029 0.000 1.081 417 F HN 0.449 nan 8.300 nan 0.000 0.605 418 F N 1.796 121.079 119.950 -1.111 0.000 2.608 418 F HA 0.483 5.010 4.527 -0.001 0.000 0.309 418 F C -0.771 174.474 175.800 -0.925 0.000 1.103 418 F CA -1.192 56.379 58.000 -0.715 0.000 0.954 418 F CB 0.222 39.031 39.000 -0.319 0.000 1.267 418 F HN 0.303 nan 8.300 nan 0.000 0.444 419 T N 2.638 117.013 114.554 -0.299 0.000 2.930 419 T HA 0.478 4.829 4.350 0.001 0.000 0.306 419 T C 0.444 175.092 174.700 -0.087 0.000 1.045 419 T CA 0.366 62.385 62.100 -0.134 0.000 1.134 419 T CB 0.714 69.648 68.868 0.110 0.000 0.961 419 T HN 0.941 nan 8.240 nan 0.000 0.545 420 A N 5.829 128.570 122.820 -0.132 0.000 2.522 420 A HA 0.287 4.607 4.320 0.001 0.000 0.256 420 A C -0.777 176.838 177.584 0.051 0.000 1.086 420 A CA -1.069 50.941 52.037 -0.044 0.000 0.763 420 A CB 0.007 18.966 19.000 -0.069 0.000 1.024 420 A HN 0.600 nan 8.150 nan 0.000 0.502 421 P HA -0.037 nan 4.420 nan 0.000 0.236 421 P C 0.522 177.847 177.300 0.042 0.000 1.177 421 P CA 0.799 63.945 63.100 0.078 0.000 0.773 421 P CB 0.425 32.167 31.700 0.070 0.000 0.878 422 E N -0.225 119.995 120.200 0.033 0.000 2.479 422 E HA 0.074 4.424 4.350 0.001 0.000 0.193 422 E C 0.669 177.278 176.600 0.016 0.000 1.049 422 E CA -0.056 56.356 56.400 0.019 0.000 0.870 422 E CB -0.107 29.600 29.700 0.012 0.000 0.944 422 E HN 0.369 nan 8.360 nan 0.000 0.492 423 R N 1.284 121.796 120.500 0.021 0.000 2.570 423 R HA 0.116 4.456 4.340 0.001 0.000 0.277 423 R C 0.584 176.897 176.300 0.022 0.000 1.039 423 R CA 0.611 56.724 56.100 0.022 0.000 1.065 423 R CB 0.380 30.699 30.300 0.033 0.000 0.964 423 R HN 0.024 nan 8.270 nan 0.000 0.428 424 T N -1.393 113.170 114.554 0.015 0.000 2.883 424 T HA 0.750 5.100 4.350 0.001 0.000 0.296 424 T C -0.809 173.897 174.700 0.009 0.000 1.117 424 T CA -1.035 61.072 62.100 0.012 0.000 1.006 424 T CB 2.127 70.999 68.868 0.005 0.000 1.191 424 T HN 0.588 nan 8.240 nan 0.000 0.508 425 A N 0.644 123.468 122.820 0.007 0.000 2.355 425 A HA 0.908 5.228 4.320 0.001 0.000 0.324 425 A C -0.224 177.359 177.584 -0.003 0.000 1.117 425 A CA -0.842 51.196 52.037 0.002 0.000 0.785 425 A CB 1.653 20.655 19.000 0.004 0.000 1.254 425 A HN 1.214 nan 8.150 nan 0.000 0.453 426 S N -0.088 115.607 115.700 -0.008 0.000 2.563 426 S HA 0.722 5.192 4.470 0.001 0.000 0.279 426 S C -0.410 174.182 174.600 -0.014 0.000 1.155 426 S CA 0.676 58.870 58.200 -0.010 0.000 0.928 426 S CB 0.929 64.123 63.200 -0.010 0.000 1.107 426 S HN 2.810 nan 8.310 nan 0.000 0.462 427 G N 3.476 112.268 108.800 -0.013 0.000 2.371 427 G HA2 0.072 4.032 3.960 0.001 0.000 0.663 427 G HA3 0.072 4.032 3.960 0.001 0.000 0.663 427 G C -1.725 173.166 174.900 -0.016 0.000 1.311 427 G CA -1.035 44.056 45.100 -0.016 0.000 0.985 427 G HN 0.759 nan 8.290 nan 0.000 0.566 428 K N -0.108 120.282 120.400 -0.018 0.000 2.270 428 K HA 0.456 4.776 4.320 0.001 0.000 0.276 428 K C 0.687 177.275 176.600 -0.020 0.000 1.023 428 K CA -0.385 55.892 56.287 -0.017 0.000 0.955 428 K CB 0.786 33.277 32.500 -0.016 0.000 0.975 428 K HN 0.395 nan 8.250 nan 0.000 0.471 429 L N 4.069 125.282 121.223 -0.018 0.000 2.455 429 L HA 0.018 4.358 4.340 0.001 0.000 0.272 429 L C 0.373 177.229 176.870 -0.023 0.000 1.174 429 L CA 0.370 55.197 54.840 -0.021 0.000 0.869 429 L CB -0.118 41.931 42.059 -0.018 0.000 1.130 429 L HN 0.715 nan 8.230 nan 0.000 0.474 430 Q N 3.118 122.901 119.800 -0.027 0.000 2.527 430 Q HA 0.470 4.811 4.340 0.001 0.000 0.280 430 Q C -1.364 174.617 176.000 -0.032 0.000 0.977 430 Q CA -1.138 54.648 55.803 -0.028 0.000 0.837 430 Q CB 1.844 30.564 28.738 -0.031 0.000 1.454 430 Q HN 0.511 nan 8.270 nan 0.000 0.387 431 R N 1.533 122.017 120.500 -0.027 0.000 2.332 431 R HA 0.458 4.798 4.340 0.001 0.000 0.306 431 R C -0.929 175.355 176.300 -0.026 0.000 1.117 431 R CA -0.053 56.031 56.100 -0.026 0.000 1.108 431 R CB 1.374 31.663 30.300 -0.019 0.000 1.126 431 R HN 0.822 nan 8.270 nan 0.000 0.548 432 T N -1.021 113.509 114.554 -0.040 0.000 2.883 432 T HA 0.381 4.731 4.350 0.001 0.000 0.301 432 T C -0.887 173.772 174.700 -0.067 0.000 1.158 432 T CA -0.950 61.123 62.100 -0.044 0.000 1.007 432 T CB 1.600 70.437 68.868 -0.051 0.000 1.186 432 T HN 0.202 nan 8.240 nan 0.000 0.499 433 L N 2.294 123.483 121.223 -0.057 0.000 2.265 433 L HA 0.613 4.953 4.340 0.001 0.000 0.288 433 L C 0.585 177.364 176.870 -0.151 0.000 1.058 433 L CA 0.064 54.854 54.840 -0.084 0.000 0.809 433 L CB 1.119 43.174 42.059 -0.007 0.000 1.179 433 L HN 0.949 nan 8.230 nan 0.000 0.429 434 S N 2.216 117.708 115.700 -0.347 0.000 2.546 434 S HA 0.002 4.472 4.470 0.001 0.000 0.290 434 S C 1.541 176.042 174.600 -0.166 0.000 1.290 434 S CA 0.263 58.243 58.200 -0.367 0.000 1.069 434 S CB 0.421 63.168 63.200 -0.755 0.000 0.846 434 S HN 0.918 nan 8.310 nan 0.000 0.495 435 T N 1.335 115.849 114.554 -0.066 0.000 2.929 435 T HA -0.134 4.217 4.350 0.001 0.000 0.271 435 T C 1.784 176.537 174.700 0.090 0.000 1.085 435 T CA 1.525 63.640 62.100 0.025 0.000 1.125 435 T CB -1.105 67.779 68.868 0.027 0.000 0.874 435 T HN 0.810 nan 8.240 nan 0.000 0.494 436 T N -1.505 113.102 114.554 0.089 0.000 3.113 436 T HA 0.100 4.450 4.350 0.001 0.000 0.263 436 T C 1.003 175.948 174.700 0.409 0.000 1.143 436 T CA 0.087 62.312 62.100 0.209 0.000 1.090 436 T CB -0.639 68.345 68.868 0.193 0.000 0.922 436 T HN 0.298 nan 8.240 nan 0.000 0.521 437 F N 1.470 121.447 119.950 0.045 0.000 2.727 437 F HA 0.448 4.974 4.527 -0.001 0.000 0.302 437 F C 1.808 177.606 175.800 -0.003 0.000 1.097 437 F CA -1.262 56.754 58.000 0.027 0.000 1.330 437 F CB -0.113 38.896 39.000 0.016 0.000 1.084 437 F HN 0.342 nan 8.300 nan 0.000 0.578 438 E N -0.633 119.687 120.200 0.200 0.000 2.442 438 E HA -0.063 4.287 4.350 0.001 0.000 0.195 438 E C 0.627 177.267 176.600 0.066 0.000 1.030 438 E CA -0.037 56.441 56.400 0.130 0.000 0.869 438 E CB 0.019 29.821 29.700 0.171 0.000 0.857 438 E HN 0.011 nan 8.360 nan 0.000 0.505 439 N N 1.686 120.412 118.700 0.043 0.000 2.482 439 N HA 0.017 4.757 4.740 0.001 0.000 0.242 439 N C -0.116 175.171 175.510 -0.372 0.000 1.100 439 N CA 0.059 53.060 53.050 -0.081 0.000 0.946 439 N CB 0.255 38.795 38.487 0.089 0.000 1.227 439 N HN -0.008 nan 8.380 nan 0.000 0.508 440 N N 2.296 120.446 118.700 -0.917 0.000 2.398 440 N HA 0.053 4.793 4.740 0.001 0.000 0.188 440 N C 0.442 175.298 175.510 -1.090 0.000 1.122 440 N CA 0.359 52.703 53.050 -1.178 0.000 0.866 440 N CB 0.381 37.803 38.487 -1.774 0.000 0.970 440 N HN 0.677 nan 8.380 nan 0.000 0.462 441 W N -0.241 120.820 121.300 -0.398 0.000 3.097 441 W HA 0.271 4.931 4.660 -0.001 0.000 0.245 441 W C 1.600 178.068 176.519 -0.085 0.000 1.120 441 W CA -0.265 56.917 57.345 -0.271 0.000 1.468 441 W CB -0.424 28.835 29.460 -0.336 0.000 0.851 441 W HN -0.084 nan 8.180 nan 0.000 0.692 442 S N 1.055 116.849 115.700 0.158 0.000 2.368 442 S HA -0.185 4.285 4.470 0.001 0.000 0.225 442 S C 1.715 176.459 174.600 0.240 0.000 1.030 442 S CA 1.351 59.752 58.200 0.333 0.000 0.999 442 S CB -0.330 63.043 63.200 0.288 0.000 0.844 442 S HN 0.294 nan 8.310 nan 0.000 0.459 443 Q N 0.206 119.982 119.800 -0.040 0.000 2.137 443 Q HA 0.006 4.346 4.340 0.001 0.000 0.198 443 Q C -0.681 175.085 176.000 -0.391 0.000 0.960 443 Q CA 0.979 56.643 55.803 -0.232 0.000 0.847 443 Q CB -1.196 27.287 28.738 -0.425 0.000 0.915 443 Q HN 0.412 nan 8.270 nan 0.000 0.448 444 P HA -0.194 nan 4.420 nan 0.000 0.216 444 P C 1.046 178.437 177.300 0.153 0.000 1.150 444 P CA 1.327 64.373 63.100 -0.091 0.000 0.843 444 P CB -0.001 31.682 31.700 -0.027 0.000 0.787 445 R N -0.177 120.417 120.500 0.156 0.000 2.092 445 R HA -0.079 4.262 4.340 0.001 0.000 0.231 445 R C 2.037 178.439 176.300 0.170 0.000 1.119 445 R CA 1.142 57.336 56.100 0.157 0.000 0.970 445 R CB -1.731 28.607 30.300 0.062 0.000 0.864 445 R HN 0.058 nan 8.270 nan 0.000 0.440 446 L N 0.026 121.417 121.223 0.279 0.000 2.013 446 L HA -0.118 4.222 4.340 0.001 0.000 0.212 446 L C 2.048 179.044 176.870 0.209 0.000 1.073 446 L CA 1.962 56.982 54.840 0.301 0.000 0.753 446 L CB -0.893 41.331 42.059 0.276 0.000 0.890 446 L HN 0.299 nan 8.230 nan 0.000 0.432 447 F N -0.776 119.233 119.950 0.099 0.000 2.075 447 F HA -0.265 4.261 4.527 -0.000 0.000 0.297 447 F C 2.347 178.180 175.800 0.054 0.000 1.113 447 F CA 2.136 60.172 58.000 0.060 0.000 1.218 447 F CB -0.847 38.213 39.000 0.099 0.000 0.984 447 F HN 0.390 nan 8.300 nan 0.000 0.472 448 W N 1.837 123.130 121.300 -0.012 0.000 2.318 448 W HA -0.307 4.353 4.660 -0.000 0.000 0.313 448 W C 1.757 178.166 176.519 -0.183 0.000 1.221 448 W CA 1.970 59.249 57.345 -0.110 0.000 1.266 448 W CB -0.793 28.665 29.460 -0.004 0.000 1.150 448 W HN 0.086 nan 8.180 nan 0.000 0.496 449 N N 0.404 119.051 118.700 -0.089 0.000 2.289 449 N HA -0.132 4.609 4.740 0.001 0.000 0.184 449 N C 1.625 176.973 175.510 -0.269 0.000 1.016 449 N CA 1.880 54.809 53.050 -0.201 0.000 0.872 449 N CB -0.739 37.713 38.487 -0.058 0.000 0.973 449 N HN 0.026 nan 8.380 nan 0.000 0.433 450 S N 0.004 115.536 115.700 -0.279 0.000 2.575 450 S HA 0.211 4.682 4.470 0.001 0.000 0.215 450 S C 0.755 175.143 174.600 -0.353 0.000 0.966 450 S CA -0.141 57.896 58.200 -0.272 0.000 0.911 450 S CB 0.343 63.415 63.200 -0.213 0.000 0.780 450 S HN 0.168 nan 8.310 nan 0.000 0.514 451 L N 2.234 123.176 121.223 -0.468 0.000 2.357 451 L HA 0.418 4.758 4.340 0.001 0.000 0.273 451 L C 0.533 177.187 176.870 -0.359 0.000 1.080 451 L CA -0.985 53.588 54.840 -0.444 0.000 0.803 451 L CB 0.776 42.507 42.059 -0.547 0.000 1.174 451 L HN 0.027 nan 8.230 nan 0.000 0.443 452 V N -0.529 119.227 119.914 -0.263 0.000 3.096 452 V HA 0.062 4.182 4.120 0.001 0.000 0.306 452 V C 1.133 177.030 176.094 -0.328 0.000 1.088 452 V CA -0.379 61.778 62.300 -0.238 0.000 1.129 452 V CB 0.362 32.092 31.823 -0.154 0.000 1.014 452 V HN 0.781 nan 8.190 nan 0.000 0.486 453 N N 2.311 120.834 118.700 -0.295 0.000 2.149 453 N HA -0.136 4.604 4.740 0.001 0.000 0.188 453 N C 1.839 177.112 175.510 -0.395 0.000 1.019 453 N CA 1.946 54.802 53.050 -0.323 0.000 0.857 453 N CB -0.730 37.622 38.487 -0.225 0.000 0.997 453 N HN 0.959 nan 8.380 nan 0.000 0.426 454 A N 0.703 123.251 122.820 -0.453 0.000 1.902 454 A HA -0.193 4.127 4.320 0.001 0.000 0.217 454 A C 2.171 179.025 177.584 -1.217 0.000 1.181 454 A CA 1.554 53.128 52.037 -0.772 0.000 0.623 454 A CB -0.625 17.933 19.000 -0.738 0.000 0.818 454 A HN 0.392 nan 8.150 nan 0.000 0.443 455 Q N -0.438 118.884 119.800 -0.797 0.000 2.230 455 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 455 Q C 1.876 177.700 176.000 -0.294 0.000 0.963 455 Q CA 1.283 56.787 55.803 -0.499 0.000 0.866 455 Q CB -0.063 28.608 28.738 -0.111 0.000 0.931 455 Q HN 0.674 nan 8.270 nan 0.000 0.452 456 K N 0.235 120.387 120.400 -0.414 0.000 2.063 456 K HA -0.223 4.097 4.320 0.001 0.000 0.208 456 K C 1.975 178.523 176.600 -0.086 0.000 1.048 456 K CA 1.519 57.558 56.287 -0.414 0.000 0.928 456 K CB -0.028 31.951 32.500 -0.868 0.000 0.713 456 K HN 0.101 nan 8.250 nan 0.000 0.442 457 E N 0.444 120.515 120.200 -0.215 0.000 2.106 457 E HA -0.149 4.202 4.350 0.001 0.000 0.192 457 E C 1.627 178.274 176.600 0.078 0.000 0.984 457 E CA 1.239 57.593 56.400 -0.077 0.000 0.806 457 E CB -0.089 29.510 29.700 -0.168 0.000 0.750 457 E HN 0.133 nan 8.360 nan 0.000 0.458 458 F N 0.431 120.353 119.950 -0.047 0.000 2.134 458 F HA -0.088 4.439 4.527 0.001 0.000 0.299 458 F C 2.222 178.061 175.800 0.066 0.000 1.097 458 F CA 0.711 58.689 58.000 -0.037 0.000 1.264 458 F CB -0.895 38.038 39.000 -0.112 0.000 1.001 458 F HN 0.088 nan 8.300 nan 0.000 0.479 459 I N -0.749 120.008 120.570 0.311 0.000 2.179 459 I HA -0.276 3.894 4.170 0.001 0.000 0.242 459 I C 2.359 178.635 176.117 0.265 0.000 1.088 459 I CA 0.985 62.472 61.300 0.312 0.000 1.357 459 I CB -0.628 37.624 38.000 0.420 0.000 1.051 459 I HN -0.098 nan 8.210 nan 0.000 0.409 460 V N 0.930 121.009 119.914 0.275 0.000 2.287 460 V HA -0.324 3.796 4.120 0.001 0.000 0.248 460 V C 2.016 178.207 176.094 0.162 0.000 1.053 460 V CA 2.155 64.576 62.300 0.202 0.000 1.027 460 V CB -0.676 31.270 31.823 0.205 0.000 0.646 460 V HN 0.414 nan 8.190 nan 0.000 0.447 461 D N 0.064 120.574 120.400 0.183 0.000 2.219 461 D HA 0.051 4.692 4.640 0.001 0.000 0.205 461 D C 1.168 177.556 176.300 0.147 0.000 0.970 461 D CA 1.064 55.170 54.000 0.176 0.000 0.851 461 D CB -0.308 40.620 40.800 0.213 0.000 0.943 461 D HN 0.510 nan 8.370 nan 0.000 0.488 465 F N 3.451 123.377 119.950 -0.040 0.000 2.069 465 F HA -0.134 4.393 4.527 0.000 0.000 0.298 465 F C 2.086 177.851 175.800 -0.058 0.000 1.113 465 F CA 1.947 59.938 58.000 -0.015 0.000 1.214 465 F CB 0.100 39.085 39.000 -0.025 0.000 0.978 465 F HN -0.014 nan 8.300 nan 0.000 0.474 466 E N -0.274 119.946 120.200 0.033 0.000 2.031 466 E HA -0.207 4.143 4.350 0.001 0.000 0.193 466 E C 2.242 178.601 176.600 -0.402 0.000 0.994 466 E CA 2.165 58.524 56.400 -0.069 0.000 0.800 466 E CB -0.809 29.031 29.700 0.233 0.000 0.752 466 E HN 0.576 nan 8.360 nan 0.000 0.447 467 T N -0.608 113.583 114.554 -0.605 0.000 3.055 467 T HA -0.065 4.285 4.350 0.001 0.000 0.265 467 T C 2.055 176.539 174.700 -0.360 0.000 1.111 467 T CA 1.164 62.858 62.100 -0.677 0.000 1.118 467 T CB -0.200 68.236 68.868 -0.720 0.000 0.909 467 T HN 0.107 nan 8.240 nan 0.000 0.501 468 S N 1.992 117.523 115.700 -0.281 0.000 2.442 468 S HA -0.059 4.412 4.470 0.001 0.000 0.236 468 S C 1.758 176.239 174.600 -0.198 0.000 1.007 468 S CA 0.547 58.626 58.200 -0.202 0.000 0.965 468 S CB -0.653 62.448 63.200 -0.165 0.000 0.773 468 S HN 0.515 nan 8.310 nan 0.000 0.504 469 N N 1.027 119.581 118.700 -0.244 0.000 2.336 469 N HA 0.169 4.910 4.740 0.001 0.000 0.189 469 N C -0.611 174.844 175.510 -0.092 0.000 1.113 469 N CA 0.146 53.097 53.050 -0.164 0.000 0.858 469 N CB 0.644 39.023 38.487 -0.180 0.000 0.970 469 N HN 0.276 nan 8.380 nan 0.000 0.471 470 V N 1.184 121.020 119.914 -0.131 0.000 2.385 470 V HA 0.094 4.214 4.120 0.001 0.000 0.269 470 V C 1.170 177.230 176.094 -0.056 0.000 1.043 470 V CA -0.021 62.232 62.300 -0.079 0.000 0.906 470 V CB 1.587 33.330 31.823 -0.135 0.000 0.995 470 V HN 0.119 nan 8.190 nan 0.000 0.467 471 S N 2.690 118.377 115.700 -0.020 0.000 2.395 471 S HA -0.070 4.401 4.470 0.001 0.000 0.225 471 S C 1.250 175.841 174.600 -0.014 0.000 1.027 471 S CA 0.733 58.923 58.200 -0.017 0.000 0.965 471 S CB 0.055 63.253 63.200 -0.002 0.000 0.812 471 S HN 0.738 nan 8.310 nan 0.000 0.482 472 S N 2.181 117.878 115.700 -0.005 0.000 2.481 472 S HA 0.112 4.583 4.470 0.001 0.000 0.282 472 S C 1.368 175.965 174.600 -0.006 0.000 1.243 472 S CA -0.074 58.126 58.200 0.000 0.000 1.078 472 S CB 0.580 63.787 63.200 0.012 0.000 0.916 472 S HN 0.444 nan 8.310 nan 0.000 0.495 473 S N 4.735 120.431 115.700 -0.006 0.000 2.402 473 S HA -0.089 4.382 4.470 0.001 0.000 0.229 473 S C 1.727 176.327 174.600 0.000 0.000 1.021 473 S CA 1.096 59.291 58.200 -0.008 0.000 0.974 473 S CB -0.573 62.623 63.200 -0.007 0.000 0.800 473 S HN 0.577 nan 8.310 nan 0.000 0.484 474 V N 1.735 121.654 119.914 0.007 0.000 2.295 474 V HA -0.139 3.981 4.120 0.001 0.000 0.246 474 V C 2.668 178.777 176.094 0.025 0.000 1.049 474 V CA 1.713 64.022 62.300 0.015 0.000 1.024 474 V CB -0.714 31.119 31.823 0.016 0.000 0.648 474 V HN 0.470 nan 8.190 nan 0.000 0.447 475 V N -0.253 119.678 119.914 0.027 0.000 2.295 475 V HA -0.258 3.862 4.120 0.001 0.000 0.246 475 V C 2.563 178.684 176.094 0.045 0.000 1.049 475 V CA 2.065 64.394 62.300 0.049 0.000 1.024 475 V CB -0.802 31.057 31.823 0.059 0.000 0.648 475 V HN 0.462 nan 8.190 nan 0.000 0.447 476 R N -0.060 120.442 120.500 0.003 0.000 2.083 476 R HA -0.186 4.154 4.340 0.001 0.000 0.237 476 R C 2.149 178.448 176.300 -0.002 0.000 1.137 476 R CA 1.949 58.032 56.100 -0.028 0.000 0.951 476 R CB -0.518 29.750 30.300 -0.054 0.000 0.851 476 R HN 0.603 nan 8.270 nan 0.000 0.434 477 D N 0.377 120.782 120.400 0.008 0.000 2.117 477 D HA -0.131 4.510 4.640 0.001 0.000 0.198 477 D C 1.314 177.635 176.300 0.037 0.000 0.982 477 D CA 1.151 55.161 54.000 0.016 0.000 0.828 477 D CB -0.109 40.698 40.800 0.012 0.000 0.967 477 D HN 0.190 nan 8.370 nan 0.000 0.464 478 D N 0.504 120.934 120.400 0.050 0.000 2.144 478 D HA -0.106 4.534 4.640 0.001 0.000 0.199 478 D C 2.324 178.689 176.300 0.108 0.000 0.984 478 D CA 0.345 54.389 54.000 0.073 0.000 0.834 478 D CB -0.249 40.595 40.800 0.073 0.000 0.955 478 D HN 0.074 nan 8.370 nan 0.000 0.465 479 V N 1.530 121.521 119.914 0.128 0.000 2.295 479 V HA -0.217 3.903 4.120 0.001 0.000 0.246 479 V C 2.457 178.630 176.094 0.132 0.000 1.049 479 V CA 0.992 63.405 62.300 0.189 0.000 1.024 479 V CB -0.248 31.706 31.823 0.218 0.000 0.648 479 V HN 0.175 nan 8.190 nan 0.000 0.447 480 I N -0.242 120.369 120.570 0.069 0.000 2.226 480 I HA -0.232 3.938 4.170 0.001 0.000 0.245 480 I C 2.382 178.529 176.117 0.051 0.000 1.100 480 I CA 1.825 63.151 61.300 0.042 0.000 1.374 480 I CB -1.025 36.982 38.000 0.012 0.000 1.057 480 I HN 0.270 nan 8.210 nan 0.000 0.413 481 I N 0.390 120.992 120.570 0.054 0.000 2.151 481 I HA -0.335 3.835 4.170 0.001 0.000 0.243 481 I C 2.722 178.881 176.117 0.070 0.000 1.080 481 I CA 1.388 62.716 61.300 0.046 0.000 1.339 481 I CB -0.358 37.667 38.000 0.041 0.000 1.039 481 I HN 0.311 nan 8.210 nan 0.000 0.409 482 Q N 0.250 120.129 119.800 0.132 0.000 2.083 482 Q HA -0.083 4.257 4.340 0.001 0.000 0.198 482 Q C 2.441 178.575 176.000 0.224 0.000 0.969 482 Q CA 1.309 57.250 55.803 0.229 0.000 0.838 482 Q CB -0.343 28.562 28.738 0.278 0.000 0.900 482 Q HN 0.546 nan 8.270 nan 0.000 0.436 483 L N 1.030 122.345 121.223 0.153 0.000 2.079 483 L HA -0.231 4.109 4.340 0.001 0.000 0.210 483 L C 2.147 179.047 176.870 0.050 0.000 1.081 483 L CA 1.340 56.233 54.840 0.088 0.000 0.752 483 L CB -0.554 41.523 42.059 0.031 0.000 0.896 483 L HN 0.265 nan 8.230 nan 0.000 0.433 484 N N 0.430 119.163 118.700 0.053 0.000 2.364 484 N HA -0.158 4.583 4.740 0.001 0.000 0.183 484 N C 1.821 177.426 175.510 0.159 0.000 1.022 484 N CA 0.991 54.082 53.050 0.069 0.000 0.883 484 N CB 0.074 38.592 38.487 0.052 0.000 0.965 484 N HN 0.189 nan 8.380 nan 0.000 0.438 485 R N -0.575 119.969 120.500 0.073 0.000 2.236 485 R HA 0.138 4.479 4.340 0.001 0.000 0.208 485 R C 1.698 178.154 176.300 0.261 0.000 1.036 485 R CA 0.653 56.737 56.100 -0.026 0.000 1.001 485 R CB 0.026 29.945 30.300 -0.635 0.000 0.896 485 R HN 0.359 nan 8.270 nan 0.000 0.464 486 I N -0.855 119.885 120.570 0.284 0.000 2.235 486 I HA -0.075 4.095 4.170 0.001 0.000 0.241 486 I C 0.855 177.013 176.117 0.068 0.000 1.085 486 I CA 0.647 62.085 61.300 0.230 0.000 1.378 486 I CB 0.140 38.184 38.000 0.074 0.000 1.076 486 I HN -0.057 nan 8.210 nan 0.000 0.415 487 S N -0.396 115.219 115.700 -0.142 0.000 2.605 487 S HA 0.129 4.600 4.470 0.001 0.000 0.279 487 S C -0.149 174.239 174.600 -0.354 0.000 1.166 487 S CA -0.765 57.144 58.200 -0.484 0.000 0.975 487 S CB 1.321 64.121 63.200 -0.666 0.000 1.111 487 S HN 0.287 nan 8.310 nan 0.000 0.465 488 D N 3.592 123.755 120.400 -0.394 0.000 2.218 488 D HA -0.119 4.521 4.640 0.001 0.000 0.204 488 D C 1.634 177.862 176.300 -0.119 0.000 0.976 488 D CA 1.726 55.651 54.000 -0.126 0.000 0.853 488 D CB 0.058 40.838 40.800 -0.034 0.000 0.939 488 D HN 0.635 nan 8.370 nan 0.000 0.481 489 N N -0.423 118.190 118.700 -0.144 0.000 2.080 489 N HA -0.159 4.581 4.740 0.001 0.000 0.189 489 N C 1.987 177.457 175.510 -0.065 0.000 1.036 489 N CA 0.808 53.839 53.050 -0.031 0.000 0.846 489 N CB -0.144 38.402 38.487 0.099 0.000 1.015 489 N HN 0.181 nan 8.380 nan 0.000 0.423 490 L N 1.740 122.785 121.223 -0.295 0.000 1.990 490 L HA -0.127 4.213 4.340 0.001 0.000 0.213 490 L C 2.376 179.116 176.870 -0.216 0.000 1.072 490 L CA 2.186 56.734 54.840 -0.488 0.000 0.755 490 L CB -1.144 40.276 42.059 -1.066 0.000 0.889 490 L HN 0.227 nan 8.230 nan 0.000 0.432 491 A N -1.766 120.948 122.820 -0.177 0.000 1.902 491 A HA -0.191 4.129 4.320 0.001 0.000 0.217 491 A C 2.260 179.819 177.584 -0.042 0.000 1.181 491 A CA 2.289 54.278 52.037 -0.079 0.000 0.623 491 A CB -1.244 17.730 19.000 -0.045 0.000 0.818 491 A HN 0.546 nan 8.150 nan 0.000 0.443 492 T N -0.291 114.242 114.554 -0.034 0.000 2.708 492 T HA -0.140 4.211 4.350 0.001 0.000 0.266 492 T C 2.075 176.775 174.700 0.001 0.000 1.037 492 T CA 1.676 63.770 62.100 -0.010 0.000 1.146 492 T CB -0.232 68.635 68.868 -0.002 0.000 0.865 492 T HN 0.527 nan 8.240 nan 0.000 0.435 493 R N 0.287 120.793 120.500 0.009 0.000 2.096 493 R HA -0.017 4.324 4.340 0.001 0.000 0.235 493 R C 2.492 178.808 176.300 0.026 0.000 1.127 493 R CA 0.918 57.039 56.100 0.035 0.000 0.968 493 R CB -0.566 29.779 30.300 0.075 0.000 0.861 493 R HN 0.236 nan 8.270 nan 0.000 0.440 494 V N 0.756 120.673 119.914 0.005 0.000 2.379 494 V HA -0.160 3.960 4.120 0.001 0.000 0.245 494 V C 2.379 178.462 176.094 -0.020 0.000 1.044 494 V CA 1.800 64.097 62.300 -0.005 0.000 1.036 494 V CB -0.648 31.162 31.823 -0.023 0.000 0.664 494 V HN 0.389 nan 8.190 nan 0.000 0.453 495 A N 1.000 123.809 122.820 -0.019 0.000 1.978 495 A HA -0.234 4.086 4.320 0.001 0.000 0.220 495 A C 2.496 180.072 177.584 -0.013 0.000 1.170 495 A CA 2.306 54.331 52.037 -0.020 0.000 0.636 495 A CB -0.735 18.257 19.000 -0.013 0.000 0.810 495 A HN 0.707 nan 8.150 nan 0.000 0.448 496 S N -0.402 115.297 115.700 -0.002 0.000 2.447 496 S HA 0.191 4.661 4.470 0.001 0.000 0.233 496 S C 1.828 176.431 174.600 0.004 0.000 1.006 496 S CA 1.013 59.215 58.200 0.004 0.000 0.957 496 S CB -0.381 62.828 63.200 0.014 0.000 0.773 496 S HN 0.851 nan 8.310 nan 0.000 0.507 497 A N 1.852 124.673 122.820 0.001 0.000 2.072 497 A HA 0.385 4.705 4.320 0.001 0.000 0.216 497 A C 1.901 179.474 177.584 -0.019 0.000 1.156 497 A CA 0.819 52.857 52.037 0.001 0.000 0.701 497 A CB -0.592 18.414 19.000 0.009 0.000 0.816 497 A HN 0.923 nan 8.150 nan 0.000 0.458 498 I N -6.045 114.505 120.570 -0.033 0.000 3.947 498 I HA 0.552 4.722 4.170 0.001 0.000 0.327 498 I C 0.875 176.967 176.117 -0.041 0.000 1.519 498 I CA 0.233 61.501 61.300 -0.052 0.000 1.122 498 I CB 0.202 38.148 38.000 -0.090 0.000 1.146 498 I HN 0.223 nan 8.210 nan 0.000 0.442 499 G N 1.665 110.450 108.800 -0.025 0.000 2.160 499 G HA2 -0.200 3.760 3.960 0.001 0.000 0.251 499 G HA3 -0.200 3.760 3.960 0.001 0.000 0.251 499 G C -0.036 174.853 174.900 -0.017 0.000 1.008 499 G CA 0.285 45.374 45.100 -0.018 0.000 0.724 499 G HN 0.361 nan 8.290 nan 0.000 0.514 500 V N 0.231 120.134 119.914 -0.019 0.000 2.483 500 V HA 0.460 4.580 4.120 0.001 0.000 0.295 500 V C 0.811 176.900 176.094 -0.008 0.000 1.035 500 V CA -0.723 61.569 62.300 -0.014 0.000 0.896 500 V CB 1.859 33.672 31.823 -0.018 0.000 0.986 500 V HN 0.494 nan 8.190 nan 0.000 0.447 501 E N 3.007 123.204 120.200 -0.004 0.000 2.442 501 E HA 0.295 4.645 4.350 0.001 0.000 0.262 501 E C 0.294 176.894 176.600 0.000 0.000 1.004 501 E CA -0.205 56.194 56.400 -0.001 0.000 0.928 501 E CB 0.805 30.506 29.700 0.000 0.000 0.937 501 E HN 0.894 nan 8.360 nan 0.000 0.446 502 A N 6.042 128.864 122.820 0.002 0.000 2.524 502 A HA 0.204 4.524 4.320 0.001 0.000 0.250 502 A C -2.045 175.543 177.584 0.006 0.000 1.078 502 A CA -1.045 50.995 52.037 0.004 0.000 0.761 502 A CB -0.160 18.844 19.000 0.006 0.000 1.012 502 A HN 0.512 nan 8.150 nan 0.000 0.500 503 P HA 0.280 nan 4.420 nan 0.000 0.277 503 P C -0.718 176.594 177.300 0.019 0.000 1.240 503 P CA -0.393 62.714 63.100 0.012 0.000 0.798 503 P CB 0.865 32.575 31.700 0.016 0.000 0.979 504 K N 2.173 122.583 120.400 0.017 0.000 2.118 504 K HA 0.377 4.698 4.320 0.001 0.000 0.264 504 K C -2.198 174.426 176.600 0.040 0.000 1.000 504 K CA -1.738 54.562 56.287 0.022 0.000 0.929 504 K CB -0.343 32.162 32.500 0.008 0.000 1.021 504 K HN 0.341 nan 8.250 nan 0.000 0.463 505 P HA -0.065 nan 4.420 nan 0.000 0.266 505 P C -1.045 176.268 177.300 0.022 0.000 1.195 505 P CA 0.212 63.395 63.100 0.139 0.000 0.768 505 P CB 0.299 32.108 31.700 0.181 0.000 0.838 506 N N 0.792 119.461 118.700 -0.051 0.000 2.623 506 N HA 0.180 4.920 4.740 0.001 0.000 0.256 506 N C 0.315 175.386 175.510 -0.731 0.000 1.045 506 N CA -0.294 52.594 53.050 -0.271 0.000 0.863 506 N CB 0.552 38.919 38.487 -0.200 0.000 1.182 506 N HN 0.232 nan 8.380 nan 0.000 0.523 507 S N 1.313 116.565 115.700 -0.747 0.000 2.577 507 S HA 0.038 4.508 4.470 0.001 0.000 0.219 507 S C 1.352 175.499 174.600 -0.755 0.000 0.962 507 S CA -0.087 57.424 58.200 -1.147 0.000 0.921 507 S CB 0.213 63.136 63.200 -0.461 0.000 0.789 507 S HN 0.418 nan 8.310 nan 0.000 0.497 508 S N 1.542 116.857 115.700 -0.641 0.000 2.392 508 S HA -0.061 4.409 4.470 0.001 0.000 0.232 508 S C 0.596 174.736 174.600 -0.767 0.000 1.041 508 S CA 1.601 59.374 58.200 -0.712 0.000 1.026 508 S CB -0.440 62.184 63.200 -0.960 0.000 0.845 508 S HN 0.739 nan 8.310 nan 0.000 0.465 509 F N -0.879 118.995 119.950 -0.128 0.000 2.661 509 F HA 0.366 4.893 4.527 -0.001 0.000 0.306 509 F C -0.103 175.885 175.800 0.312 0.000 1.094 509 F CA -1.042 57.036 58.000 0.129 0.000 1.254 509 F CB -0.022 39.111 39.000 0.222 0.000 1.040 509 F HN 0.025 nan 8.300 nan 0.000 0.562 510 Y N 1.493 121.898 120.300 0.175 0.000 2.411 510 Y HA 0.390 4.941 4.550 0.000 0.000 0.333 510 Y C 0.661 176.660 175.900 0.165 0.000 1.186 510 Y CA -0.962 57.202 58.100 0.106 0.000 1.381 510 Y CB -0.458 38.026 38.460 0.040 0.000 1.273 510 Y HN 0.330 nan 8.280 nan 0.000 0.546 511 H N -2.018 117.208 119.070 0.261 0.000 2.932 511 H HA 0.433 4.990 4.556 0.002 0.000 0.307 511 H C -1.297 174.110 175.328 0.131 0.000 1.391 511 H CA -0.908 55.243 56.048 0.171 0.000 1.130 511 H CB 0.857 30.714 29.762 0.159 0.000 1.836 511 H HN 0.283 nan 8.280 nan 0.000 0.522 512 D N -0.161 120.359 120.400 0.201 0.000 2.440 512 D HA 0.109 4.749 4.640 0.001 0.000 0.216 512 D C -0.338 176.071 176.300 0.182 0.000 1.150 512 D CA -0.191 53.875 54.000 0.110 0.000 0.832 512 D CB 0.056 40.904 40.800 0.080 0.000 0.992 512 D HN 0.326 nan 8.370 nan 0.000 0.502 513 N N 1.297 120.256 118.700 0.432 0.000 2.453 513 N HA 0.158 4.898 4.740 0.001 0.000 0.253 513 N C 0.588 176.214 175.510 0.193 0.000 1.252 513 N CA 0.493 53.706 53.050 0.272 0.000 0.917 513 N CB 0.878 39.498 38.487 0.222 0.000 1.117 513 N HN 0.075 nan 8.380 nan 0.000 0.442 514 T N -3.393 111.220 114.554 0.097 0.000 2.901 514 T HA 0.639 4.990 4.350 0.001 0.000 0.293 514 T C -0.306 174.416 174.700 0.037 0.000 1.084 514 T CA -0.842 61.283 62.100 0.043 0.000 1.008 514 T CB 1.973 70.827 68.868 -0.022 0.000 1.170 514 T HN 0.291 nan 8.240 nan 0.000 0.509 515 T N 0.020 114.585 114.554 0.018 0.000 2.900 515 T HA 0.693 5.043 4.350 0.001 0.000 0.295 515 T C -0.375 174.307 174.700 -0.030 0.000 1.044 515 T CA -0.355 61.759 62.100 0.023 0.000 0.995 515 T CB 1.036 69.957 68.868 0.088 0.000 1.072 515 T HN 1.146 nan 8.240 nan 0.000 0.473 516 A N 3.239 126.028 122.820 -0.052 0.000 2.388 516 A HA 0.508 4.828 4.320 0.001 0.000 0.257 516 A C 0.443 177.973 177.584 -0.090 0.000 1.095 516 A CA 0.040 51.965 52.037 -0.186 0.000 0.791 516 A CB -0.293 18.575 19.000 -0.221 0.000 1.029 516 A HN 1.131 nan 8.150 nan 0.000 0.489 517 H N -0.236 118.840 119.070 0.011 0.000 2.626 517 H HA -0.167 4.389 4.556 0.001 0.000 0.317 517 H C 0.590 175.959 175.328 0.069 0.000 1.140 517 H CA 1.091 57.156 56.048 0.027 0.000 1.134 517 H CB -1.280 28.512 29.762 0.050 0.000 1.486 517 H HN 0.610 nan 8.280 nan 0.000 0.417 518 I N -0.576 120.052 120.570 0.097 0.000 3.228 518 I HA 0.173 4.343 4.170 0.001 0.000 0.279 518 I C 1.845 178.007 176.117 0.075 0.000 1.221 518 I CA 1.042 62.405 61.300 0.105 0.000 1.458 518 I CB 0.342 38.365 38.000 0.039 0.000 1.105 518 I HN 0.396 nan 8.210 nan 0.000 0.445 519 G N -0.845 107.925 108.800 -0.050 0.000 2.621 519 G HA2 0.390 4.351 3.960 0.001 0.000 0.271 519 G HA3 0.390 4.351 3.960 0.001 0.000 0.271 519 G C 0.787 175.647 174.900 -0.066 0.000 1.236 519 G CA 0.154 45.214 45.100 -0.066 0.000 0.958 519 G HN 0.310 nan 8.290 nan 0.000 0.512 520 A N -1.038 121.552 122.820 -0.383 0.000 2.081 520 A HA 0.454 4.774 4.320 0.001 0.000 0.214 520 A C 0.355 177.625 177.584 -0.523 0.000 1.158 520 A CA 0.352 52.075 52.037 -0.523 0.000 0.724 520 A CB -0.072 18.451 19.000 -0.795 0.000 0.826 520 A HN 0.346 nan 8.150 nan 0.000 0.463 521 F N -1.592 118.314 119.950 -0.073 0.000 2.450 521 F HA 0.565 5.092 4.527 0.000 0.000 0.332 521 F C 1.242 177.021 175.800 -0.036 0.000 1.093 521 F CA 0.369 58.354 58.000 -0.026 0.000 1.003 521 F CB 2.120 41.127 39.000 0.011 0.000 1.151 521 F HN 0.133 nan 8.300 nan 0.000 0.474 522 G N 1.299 110.188 108.800 0.148 0.000 2.273 522 G HA2 -0.118 3.842 3.960 0.001 0.000 0.162 522 G HA3 -0.118 3.842 3.960 0.001 0.000 0.162 522 G C -0.402 174.523 174.900 0.042 0.000 1.006 522 G CA -0.645 44.507 45.100 0.087 0.000 0.704 522 G HN 0.549 nan 8.290 nan 0.000 0.487 523 E N 0.359 120.555 120.200 -0.007 0.000 2.288 523 E HA 0.494 4.845 4.350 0.001 0.000 0.268 523 E C -0.365 176.205 176.600 -0.050 0.000 0.885 523 E CA -0.943 55.417 56.400 -0.066 0.000 0.767 523 E CB 1.892 31.493 29.700 -0.165 0.000 1.220 523 E HN 0.135 nan 8.360 nan 0.000 0.427 524 K N 1.370 121.743 120.400 -0.046 0.000 2.258 524 K HA 0.236 4.557 4.320 0.001 0.000 0.264 524 K C 0.064 176.637 176.600 -0.044 0.000 1.007 524 K CA -0.240 56.030 56.287 -0.029 0.000 0.941 524 K CB 0.567 33.058 32.500 -0.015 0.000 0.966 524 K HN 0.300 nan 8.250 nan 0.000 0.480 525 L N 1.556 122.760 121.223 -0.031 0.000 2.452 525 L HA -0.005 4.335 4.340 0.001 0.000 0.267 525 L C 1.409 178.260 176.870 -0.032 0.000 1.188 525 L CA -0.042 54.772 54.840 -0.044 0.000 0.821 525 L CB 0.840 42.880 42.059 -0.032 0.000 1.102 525 L HN 0.851 nan 8.230 nan 0.000 0.470 526 A N 3.005 125.800 122.820 -0.041 0.000 1.975 526 A HA 0.066 4.387 4.320 0.001 0.000 0.215 526 A C 0.721 178.284 177.584 -0.034 0.000 1.170 526 A CA 0.961 52.974 52.037 -0.041 0.000 0.656 526 A CB 0.124 19.091 19.000 -0.054 0.000 0.821 526 A HN 0.729 nan 8.150 nan 0.000 0.449 527 K N -0.970 119.410 120.400 -0.033 0.000 2.469 527 K HA 0.582 4.902 4.320 0.001 0.000 0.254 527 K C -0.609 175.998 176.600 0.010 0.000 0.939 527 K CA -0.532 55.739 56.287 -0.025 0.000 0.812 527 K CB 1.874 34.339 32.500 -0.058 0.000 1.301 527 K HN 0.064 nan 8.250 nan 0.000 0.433 528 L N 0.639 121.872 121.223 0.017 0.000 2.640 528 L HA 0.134 4.474 4.340 0.001 0.000 0.230 528 L C -0.127 176.773 176.870 0.050 0.000 1.123 528 L CA -0.139 54.729 54.840 0.047 0.000 0.900 528 L CB 0.010 42.092 42.059 0.039 0.000 1.146 528 L HN 0.556 nan 8.230 nan 0.000 0.484 529 D N 1.708 122.119 120.400 0.018 0.000 2.586 529 D HA 0.117 4.758 4.640 0.001 0.000 0.234 529 D C 1.337 177.658 176.300 0.034 0.000 1.132 529 D CA 1.603 55.603 54.000 -0.000 0.000 0.860 529 D CB 1.084 41.855 40.800 -0.048 0.000 1.159 529 D HN 0.356 nan 8.370 nan 0.000 0.490 530 G N 2.014 110.834 108.800 0.033 0.000 2.179 530 G HA2 -0.277 3.684 3.960 0.001 0.000 0.260 530 G HA3 -0.277 3.684 3.960 0.001 0.000 0.260 530 G C 0.534 175.491 174.900 0.094 0.000 0.977 530 G CA 0.027 45.157 45.100 0.049 0.000 0.641 530 G HN 0.481 nan 8.290 nan 0.000 0.533 531 L N -0.093 121.199 121.223 0.115 0.000 2.452 531 L HA 0.498 4.838 4.340 0.001 0.000 0.267 531 L C 0.728 177.693 176.870 0.158 0.000 1.188 531 L CA 0.108 55.041 54.840 0.156 0.000 0.821 531 L CB 0.684 42.841 42.059 0.162 0.000 1.102 531 L HN 0.071 nan 8.230 nan 0.000 0.470 532 K N 1.294 121.822 120.400 0.214 0.000 2.378 532 K HA 0.544 4.864 4.320 0.001 0.000 0.252 532 K C -1.449 175.305 176.600 0.256 0.000 0.931 532 K CA -0.703 55.731 56.287 0.245 0.000 0.794 532 K CB 2.670 35.371 32.500 0.334 0.000 1.181 532 K HN 0.197 nan 8.250 nan 0.000 0.425 533 V N 1.838 121.848 119.914 0.161 0.000 2.347 533 V HA 0.371 4.492 4.120 0.001 0.000 0.280 533 V C 0.354 176.388 176.094 -0.101 0.000 1.021 533 V CA -0.823 61.517 62.300 0.066 0.000 0.847 533 V CB 1.463 33.312 31.823 0.044 0.000 0.990 533 V HN 0.923 nan 8.190 nan 0.000 0.444 534 G N 4.595 113.123 108.800 -0.454 0.000 2.327 534 G HA2 0.505 4.466 3.960 0.001 0.000 0.302 534 G HA3 0.505 4.466 3.960 0.001 0.000 0.302 534 G C -0.873 173.721 174.900 -0.511 0.000 1.113 534 G CA -0.330 44.091 45.100 -1.132 0.000 0.921 534 G HN 0.565 nan 8.290 nan 0.000 0.425 535 L N 4.082 125.118 121.223 -0.311 0.000 2.257 535 L HA 0.464 4.805 4.340 0.001 0.000 0.290 535 L C -0.119 176.679 176.870 -0.120 0.000 1.044 535 L CA -0.574 54.182 54.840 -0.141 0.000 0.810 535 L CB 0.919 42.935 42.059 -0.071 0.000 1.193 535 L HN 0.375 nan 8.230 nan 0.000 0.425 536 L N 6.367 127.577 121.223 -0.021 0.000 2.268 536 L HA 0.654 4.995 4.340 0.001 0.000 0.289 536 L C 0.367 177.354 176.870 0.195 0.000 1.064 536 L CA -0.178 54.742 54.840 0.134 0.000 0.824 536 L CB 0.460 42.764 42.059 0.407 0.000 1.202 536 L HN 0.803 nan 8.230 nan 0.000 0.433 537 A N 2.878 125.780 122.820 0.136 0.000 2.392 537 A HA 0.859 5.180 4.320 0.001 0.000 0.283 537 A C -0.555 177.152 177.584 0.205 0.000 1.197 537 A CA -0.544 51.570 52.037 0.129 0.000 0.895 537 A CB 2.036 21.058 19.000 0.038 0.000 1.400 537 A HN 0.463 nan 8.150 nan 0.000 0.461 538 S N -1.373 114.415 115.700 0.147 0.000 2.575 538 S HA 0.410 4.880 4.470 0.001 0.000 0.278 538 S C 0.618 175.278 174.600 0.100 0.000 1.139 538 S CA -0.019 58.274 58.200 0.156 0.000 0.954 538 S CB 1.377 64.662 63.200 0.142 0.000 1.054 538 S HN 1.832 nan 8.310 nan 0.000 0.483 539 V N 2.661 122.636 119.914 0.101 0.000 2.720 539 V HA 0.007 4.128 4.120 0.001 0.000 0.256 539 V C 1.480 177.608 176.094 0.058 0.000 1.082 539 V CA 1.611 63.953 62.300 0.070 0.000 1.101 539 V CB -0.793 31.072 31.823 0.071 0.000 0.693 539 V HN 0.767 nan 8.190 nan 0.000 0.479 540 N N 0.688 119.427 118.700 0.065 0.000 2.515 540 N HA 0.045 4.785 4.740 0.001 0.000 0.185 540 N C 0.391 175.925 175.510 0.041 0.000 1.109 540 N CA 0.698 53.777 53.050 0.049 0.000 0.903 540 N CB -0.033 38.485 38.487 0.050 0.000 0.969 540 N HN 0.539 nan 8.380 nan 0.000 0.450 541 K N 0.463 120.889 120.400 0.045 0.000 2.646 541 K HA 0.278 4.598 4.320 0.001 0.000 0.210 541 K C -2.037 174.580 176.600 0.028 0.000 1.020 541 K CA -1.573 54.734 56.287 0.033 0.000 1.040 541 K CB 2.281 34.802 32.500 0.035 0.000 1.253 541 K HN -0.162 nan 8.250 nan 0.000 0.532 542 P HA -0.207 nan 4.420 nan 0.000 0.217 542 P C 1.133 178.440 177.300 0.011 0.000 1.148 542 P CA 1.157 64.268 63.100 0.018 0.000 0.828 542 P CB 0.367 32.076 31.700 0.014 0.000 0.783 543 A N -0.131 122.693 122.820 0.007 0.000 2.015 543 A HA -0.153 4.168 4.320 0.001 0.000 0.219 543 A C 2.373 179.954 177.584 -0.005 0.000 1.163 543 A CA 1.907 53.943 52.037 -0.001 0.000 0.646 543 A CB -1.490 17.506 19.000 -0.006 0.000 0.806 543 A HN 0.345 nan 8.150 nan 0.000 0.448 544 S N 0.240 115.941 115.700 0.003 0.000 2.368 544 S HA -0.137 4.333 4.470 0.001 0.000 0.225 544 S C 1.855 176.456 174.600 0.002 0.000 1.030 544 S CA 1.475 59.676 58.200 0.003 0.000 0.999 544 S CB -0.707 62.509 63.200 0.026 0.000 0.844 544 S HN 0.474 nan 8.310 nan 0.000 0.459 545 I N 2.195 122.770 120.570 0.010 0.000 2.315 545 I HA -0.073 4.097 4.170 0.001 0.000 0.248 545 I C 3.012 179.129 176.117 0.000 0.000 1.117 545 I CA 0.981 62.284 61.300 0.005 0.000 1.404 545 I CB -0.568 37.439 38.000 0.011 0.000 1.071 545 I HN 0.440 nan 8.210 nan 0.000 0.419 546 A N 0.100 122.920 122.820 0.000 0.000 2.019 546 A HA -0.231 4.089 4.320 0.001 0.000 0.219 546 A C 2.199 179.780 177.584 -0.005 0.000 1.164 546 A CA 1.280 53.316 52.037 -0.001 0.000 0.644 546 A CB -0.510 18.489 19.000 -0.002 0.000 0.805 546 A HN 0.484 nan 8.150 nan 0.000 0.449 547 Q N -0.591 119.202 119.800 -0.013 0.000 2.291 547 Q HA -0.120 4.220 4.340 0.001 0.000 0.206 547 Q C 2.126 178.124 176.000 -0.004 0.000 0.976 547 Q CA 0.865 56.657 55.803 -0.018 0.000 0.875 547 Q CB -0.397 28.316 28.738 -0.042 0.000 0.927 547 Q HN 0.719 nan 8.270 nan 0.000 0.450 548 G N 1.252 110.050 108.800 -0.003 0.000 2.480 548 G HA2 -0.300 3.661 3.960 0.001 0.000 0.216 548 G HA3 -0.300 3.661 3.960 0.001 0.000 0.216 548 G C 1.500 176.407 174.900 0.012 0.000 1.200 548 G CA 1.028 46.130 45.100 0.003 0.000 0.782 548 G HN 0.443 nan 8.290 nan 0.000 0.554 549 A N 0.401 123.227 122.820 0.010 0.000 1.933 549 A HA 0.013 4.333 4.320 0.001 0.000 0.218 549 A C 2.226 179.819 177.584 0.015 0.000 1.175 549 A CA 2.152 54.196 52.037 0.012 0.000 0.628 549 A CB -0.403 18.603 19.000 0.010 0.000 0.814 549 A HN 0.429 nan 8.150 nan 0.000 0.444 550 K N -0.822 119.586 120.400 0.013 0.000 2.026 550 K HA -0.128 4.192 4.320 0.001 0.000 0.208 550 K C 1.902 178.520 176.600 0.030 0.000 1.048 550 K CA 1.493 57.790 56.287 0.016 0.000 0.929 550 K CB -0.289 32.216 32.500 0.009 0.000 0.713 550 K HN 0.313 nan 8.250 nan 0.000 0.439 551 L N 1.700 122.947 121.223 0.040 0.000 2.046 551 L HA -0.189 4.152 4.340 0.001 0.000 0.208 551 L C 2.416 179.316 176.870 0.049 0.000 1.077 551 L CA 1.811 56.692 54.840 0.068 0.000 0.747 551 L CB -0.751 41.364 42.059 0.094 0.000 0.896 551 L HN 0.274 nan 8.230 nan 0.000 0.432 552 Q N -0.489 119.332 119.800 0.035 0.000 2.096 552 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 552 Q C 2.215 178.228 176.000 0.022 0.000 0.982 552 Q CA 2.724 58.543 55.803 0.028 0.000 0.850 552 Q CB -0.658 28.094 28.738 0.023 0.000 0.901 552 Q HN 0.565 nan 8.270 nan 0.000 0.422 553 V N -1.866 118.060 119.914 0.020 0.000 2.490 553 V HA -0.067 4.053 4.120 0.001 0.000 0.250 553 V C 1.989 178.092 176.094 0.015 0.000 1.061 553 V CA 1.904 64.213 62.300 0.015 0.000 1.064 553 V CB -1.365 30.466 31.823 0.014 0.000 0.670 553 V HN 0.353 nan 8.190 nan 0.000 0.461 554 A N -0.516 122.316 122.820 0.021 0.000 2.178 554 A HA 0.417 4.737 4.320 0.001 0.000 0.211 554 A C 2.024 179.613 177.584 0.009 0.000 1.157 554 A CA 0.978 53.026 52.037 0.018 0.000 0.780 554 A CB -0.286 18.732 19.000 0.030 0.000 0.828 554 A HN 0.583 nan 8.150 nan 0.000 0.476 555 L N -1.789 119.440 121.223 0.011 0.000 2.701 555 L HA 0.117 4.457 4.340 0.001 0.000 0.238 555 L C 2.188 179.062 176.870 0.005 0.000 1.106 555 L CA 0.240 55.084 54.840 0.006 0.000 0.898 555 L CB 0.184 42.250 42.059 0.013 0.000 1.188 555 L HN 0.203 nan 8.230 nan 0.000 0.508 556 S N 0.397 116.100 115.700 0.005 0.000 2.382 556 S HA -0.174 4.296 4.470 0.001 0.000 0.228 556 S C 2.160 176.756 174.600 -0.007 0.000 1.027 556 S CA 1.773 59.973 58.200 0.000 0.000 0.991 556 S CB -0.100 63.100 63.200 0.000 0.000 0.823 556 S HN 0.613 nan 8.310 nan 0.000 0.469 557 S N 1.225 116.921 115.700 -0.007 0.000 2.474 557 S HA -0.050 4.420 4.470 0.001 0.000 0.235 557 S C 1.478 176.070 174.600 -0.015 0.000 0.997 557 S CA 0.944 59.137 58.200 -0.012 0.000 0.949 557 S CB -0.462 62.733 63.200 -0.009 0.000 0.766 557 S HN 0.490 nan 8.310 nan 0.000 0.517 558 V N -3.003 116.905 119.914 -0.011 0.000 3.319 558 V HA 0.721 4.841 4.120 0.001 0.000 0.317 558 V C 1.245 177.333 176.094 -0.009 0.000 1.411 558 V CA -0.113 62.181 62.300 -0.011 0.000 1.112 558 V CB -0.810 31.009 31.823 -0.007 0.000 1.031 558 V HN 0.703 nan 8.190 nan 0.000 0.448 559 G N 0.352 109.145 108.800 -0.013 0.000 2.147 559 G HA2 -0.190 3.770 3.960 0.001 0.000 0.244 559 G HA3 -0.190 3.770 3.960 0.001 0.000 0.244 559 G C -0.042 174.862 174.900 0.008 0.000 1.005 559 G CA 0.175 45.266 45.100 -0.015 0.000 0.713 559 G HN 0.847 nan 8.290 nan 0.000 0.515 560 V N 0.950 120.876 119.914 0.019 0.000 2.472 560 V HA 0.522 4.642 4.120 0.001 0.000 0.290 560 V C -0.198 175.922 176.094 0.044 0.000 1.037 560 V CA -0.867 61.458 62.300 0.041 0.000 0.908 560 V CB 1.789 33.637 31.823 0.041 0.000 0.985 560 V HN 0.273 nan 8.190 nan 0.000 0.454 561 D N 2.766 123.205 120.400 0.064 0.000 2.185 561 D HA 0.477 5.118 4.640 0.001 0.000 0.247 561 D C -0.615 175.730 176.300 0.076 0.000 1.027 561 D CA -0.218 53.820 54.000 0.065 0.000 0.861 561 D CB 2.527 43.373 40.800 0.076 0.000 1.202 561 D HN 0.226 nan 8.370 nan 0.000 0.453 562 V N 1.912 121.860 119.914 0.056 0.000 2.394 562 V HA 0.264 4.384 4.120 0.001 0.000 0.282 562 V C 0.175 176.294 176.094 0.042 0.000 1.031 562 V CA -0.693 61.632 62.300 0.042 0.000 0.881 562 V CB 1.739 33.578 31.823 0.028 0.000 0.982 562 V HN 0.260 nan 8.190 nan 0.000 0.451 563 V N 5.845 125.777 119.914 0.029 0.000 2.357 563 V HA 0.342 4.462 4.120 0.001 0.000 0.284 563 V C -0.014 176.051 176.094 -0.047 0.000 1.018 563 V CA -0.648 61.682 62.300 0.050 0.000 0.841 563 V CB 1.780 33.735 31.823 0.220 0.000 0.991 563 V HN 0.609 nan 8.190 nan 0.000 0.437 564 V N 6.331 126.226 119.914 -0.031 0.000 2.455 564 V HA 0.259 4.379 4.120 0.001 0.000 0.273 564 V C 0.172 176.205 176.094 -0.102 0.000 1.045 564 V CA -0.229 62.031 62.300 -0.068 0.000 0.976 564 V CB 1.447 33.248 31.823 -0.036 0.000 0.993 564 V HN 0.623 nan 8.190 nan 0.000 0.475 565 V N 5.057 124.855 119.914 -0.194 0.000 2.427 565 V HA 0.892 5.012 4.120 0.001 0.000 0.286 565 V C 0.411 176.212 176.094 -0.489 0.000 1.034 565 V CA 0.041 62.126 62.300 -0.358 0.000 0.893 565 V CB 1.119 32.662 31.823 -0.467 0.000 0.982 565 V HN 1.061 nan 8.190 nan 0.000 0.452 566 A N 3.374 125.915 122.820 -0.465 0.000 2.533 566 A HA 0.746 5.066 4.320 0.001 0.000 0.293 566 A C 0.446 178.020 177.584 -0.018 0.000 1.228 566 A CA -0.461 51.435 52.037 -0.234 0.000 0.689 566 A CB 0.913 19.905 19.000 -0.012 0.000 1.303 566 A HN 0.642 nan 8.150 nan 0.000 0.444 567 E N 0.089 120.463 120.200 0.290 0.000 2.106 567 E HA -0.041 4.310 4.350 0.001 0.000 0.192 567 E C 0.907 177.650 176.600 0.238 0.000 0.984 567 E CA 1.857 58.502 56.400 0.408 0.000 0.806 567 E CB -0.093 29.825 29.700 0.363 0.000 0.750 567 E HN 0.582 nan 8.360 nan 0.000 0.458 571 N N 1.647 120.357 118.700 0.017 0.000 2.356 571 N HA 0.172 4.912 4.740 0.001 0.000 0.252 571 N C -0.064 175.453 175.510 0.013 0.000 1.241 571 N CA 0.766 53.825 53.050 0.015 0.000 0.861 571 N CB 0.041 38.536 38.487 0.014 0.000 1.075 571 N HN 0.591 nan 8.380 nan 0.000 0.461 572 N N -0.752 117.955 118.700 0.012 0.000 2.800 572 N HA -0.163 4.577 4.740 0.001 0.000 0.250 572 N C -1.247 174.267 175.510 0.006 0.000 1.078 572 N CA 0.470 53.526 53.050 0.010 0.000 0.804 572 N CB -1.095 37.398 38.487 0.009 0.000 1.135 572 N HN 0.162 nan 8.380 nan 0.000 0.565 573 V N 0.984 120.902 119.914 0.006 0.000 2.481 573 V HA 0.212 4.332 4.120 0.001 0.000 0.286 573 V C 1.169 177.265 176.094 0.003 0.000 1.042 573 V CA -0.391 61.907 62.300 -0.004 0.000 0.928 573 V CB 1.990 33.809 31.823 -0.006 0.000 0.986 573 V HN 0.022 nan 8.190 nan 0.000 0.462 574 D N 2.216 122.617 120.400 0.002 0.000 2.262 574 D HA 0.139 4.779 4.640 0.001 0.000 0.212 574 D C 0.454 176.771 176.300 0.028 0.000 0.964 574 D CA 0.747 54.761 54.000 0.024 0.000 0.875 574 D CB 0.961 41.786 40.800 0.041 0.000 0.996 574 D HN 0.661 nan 8.370 nan 0.000 0.497 575 E N -0.039 120.166 120.200 0.008 0.000 2.383 575 E HA 0.284 4.634 4.350 0.001 0.000 0.275 575 E C -0.608 175.964 176.600 -0.047 0.000 0.918 575 E CA -0.543 55.865 56.400 0.012 0.000 0.764 575 E CB 2.404 32.143 29.700 0.065 0.000 1.252 575 E HN -0.064 nan 8.360 nan 0.000 0.449 576 T N -1.522 113.020 114.554 -0.019 0.000 2.899 576 T HA 0.183 4.533 4.350 0.001 0.000 0.284 576 T C 0.826 175.490 174.700 -0.061 0.000 1.004 576 T CA -0.351 61.733 62.100 -0.027 0.000 1.043 576 T CB 0.414 69.320 68.868 0.063 0.000 1.013 576 T HN 0.386 nan 8.240 nan 0.000 0.518 577 Y N 0.932 121.238 120.300 0.010 0.000 2.151 577 Y HA -0.139 4.412 4.550 0.001 0.000 0.284 577 Y C 3.249 179.149 175.900 0.000 0.000 1.166 577 Y CA 1.999 60.053 58.100 -0.077 0.000 1.163 577 Y CB -0.878 37.336 38.460 -0.409 0.000 0.974 577 Y HN 0.787 nan 8.280 nan 0.000 0.511 578 S N -0.400 115.433 115.700 0.223 0.000 2.383 578 S HA -0.205 4.265 4.470 0.001 0.000 0.229 578 S C 2.081 176.739 174.600 0.096 0.000 1.030 578 S CA 1.139 59.437 58.200 0.164 0.000 1.002 578 S CB -0.478 62.811 63.200 0.149 0.000 0.829 578 S HN 0.430 nan 8.310 nan 0.000 0.467 579 A N 0.098 122.966 122.820 0.080 0.000 2.251 579 A HA 0.465 4.785 4.320 0.001 0.000 0.209 579 A C 0.928 178.540 177.584 0.048 0.000 1.187 579 A CA -0.074 51.995 52.037 0.052 0.000 0.823 579 A CB -0.012 19.014 19.000 0.045 0.000 0.846 579 A HN 0.421 nan 8.150 nan 0.000 0.486 580 S N -0.250 115.493 115.700 0.072 0.000 2.664 580 S HA 0.583 5.053 4.470 0.001 0.000 0.304 580 S C -0.864 173.785 174.600 0.082 0.000 1.099 580 S CA -0.681 57.575 58.200 0.094 0.000 1.003 580 S CB 1.581 64.894 63.200 0.190 0.000 1.092 580 S HN 0.496 nan 8.310 nan 0.000 0.525 581 D N -0.801 119.625 120.400 0.042 0.000 2.654 581 D HA 0.386 5.026 4.640 0.001 0.000 0.231 581 D C 0.517 176.842 176.300 0.041 0.000 1.239 581 D CA -0.490 53.532 54.000 0.036 0.000 0.790 581 D CB 1.901 42.684 40.800 -0.029 0.000 1.480 581 D HN 0.506 nan 8.370 nan 0.000 0.442 582 A N 1.639 124.543 122.820 0.141 0.000 1.948 582 A HA -0.175 4.145 4.320 0.001 0.000 0.220 582 A C 2.152 179.800 177.584 0.107 0.000 1.177 582 A CA 2.540 54.710 52.037 0.221 0.000 0.636 582 A CB -0.996 18.108 19.000 0.175 0.000 0.815 582 A HN 0.700 nan 8.150 nan 0.000 0.449 583 V N -2.520 117.386 119.914 -0.013 0.000 3.026 583 V HA -0.233 3.888 4.120 0.001 0.000 0.265 583 V C 1.762 177.679 176.094 -0.296 0.000 1.121 583 V CA 2.127 64.310 62.300 -0.195 0.000 1.142 583 V CB -1.106 30.510 31.823 -0.346 0.000 0.730 583 V HN 0.647 nan 8.190 nan 0.000 0.503 584 Q N -0.304 119.245 119.800 -0.417 0.000 2.378 584 Q HA 0.218 4.559 4.340 0.001 0.000 0.205 584 Q C -0.326 175.435 176.000 -0.398 0.000 0.954 584 Q CA 0.721 56.212 55.803 -0.520 0.000 0.901 584 Q CB 0.150 28.272 28.738 -1.026 0.000 0.981 584 Q HN 0.725 nan 8.270 nan 0.000 0.483 585 F N -0.366 119.692 119.950 0.180 0.000 2.520 585 F HA 0.250 4.777 4.527 0.001 0.000 0.322 585 F C 0.653 176.556 175.800 0.172 0.000 1.103 585 F CA -1.523 56.580 58.000 0.172 0.000 0.926 585 F CB 1.298 40.378 39.000 0.132 0.000 1.154 585 F HN -0.192 nan 8.300 nan 0.000 0.453 586 D N 1.347 121.969 120.400 0.370 0.000 2.234 586 D HA 0.168 4.808 4.640 0.001 0.000 0.205 586 D C 0.414 176.829 176.300 0.192 0.000 0.962 586 D CA 0.838 54.991 54.000 0.255 0.000 0.855 586 D CB 0.539 41.507 40.800 0.280 0.000 0.951 586 D HN 0.444 nan 8.370 nan 0.000 0.500 587 A N 0.352 123.304 122.820 0.219 0.000 2.515 587 A HA 0.568 4.889 4.320 0.001 0.000 0.298 587 A C -1.048 176.619 177.584 0.138 0.000 1.059 587 A CA -0.520 51.615 52.037 0.164 0.000 0.698 587 A CB 2.248 21.318 19.000 0.118 0.000 1.289 587 A HN -0.088 nan 8.150 nan 0.000 0.404 588 V N 1.573 121.556 119.914 0.115 0.000 2.588 588 V HA 0.617 4.737 4.120 0.001 0.000 0.304 588 V C -0.772 175.359 176.094 0.063 0.000 1.042 588 V CA -0.464 61.868 62.300 0.054 0.000 0.877 588 V CB 1.701 33.593 31.823 0.116 0.000 0.996 588 V HN 0.752 nan 8.190 nan 0.000 0.425 589 V N 5.041 124.971 119.914 0.027 0.000 2.638 589 V HA 0.456 4.577 4.120 0.001 0.000 0.306 589 V C -0.334 175.753 176.094 -0.012 0.000 1.052 589 V CA -0.757 61.583 62.300 0.067 0.000 0.885 589 V CB 2.276 34.200 31.823 0.168 0.000 0.999 589 V HN 0.586 nan 8.190 nan 0.000 0.424 590 V N 4.190 124.056 119.914 -0.081 0.000 2.432 590 V HA 0.590 4.711 4.120 0.001 0.000 0.271 590 V C 0.834 176.852 176.094 -0.126 0.000 1.046 590 V CA -0.266 61.930 62.300 -0.173 0.000 0.945 590 V CB 1.255 32.805 31.823 -0.454 0.000 0.992 590 V HN 1.024 nan 8.190 nan 0.000 0.471 591 A N 3.731 126.513 122.820 -0.062 0.000 2.386 591 A HA 0.305 4.626 4.320 0.001 0.000 0.248 591 A C 0.249 177.792 177.584 -0.069 0.000 1.082 591 A CA -0.303 51.696 52.037 -0.062 0.000 0.789 591 A CB 0.166 19.157 19.000 -0.015 0.000 1.025 591 A HN 0.836 nan 8.150 nan 0.000 0.490 592 D N 0.444 120.792 120.400 -0.087 0.000 2.401 592 D HA 0.402 5.042 4.640 0.001 0.000 0.254 592 D C 1.221 177.502 176.300 -0.031 0.000 1.192 592 D CA 1.787 55.743 54.000 -0.074 0.000 0.885 592 D CB 0.356 41.103 40.800 -0.089 0.000 1.147 592 D HN 1.090 nan 8.370 nan 0.000 0.478 593 G N 2.690 111.482 108.800 -0.015 0.000 2.218 593 G HA2 -0.219 3.741 3.960 0.001 0.000 0.216 593 G HA3 -0.219 3.741 3.960 0.001 0.000 0.216 593 G C 0.923 175.856 174.900 0.055 0.000 0.994 593 G CA 0.406 45.516 45.100 0.016 0.000 0.637 593 G HN 0.814 nan 8.290 nan 0.000 0.505 594 A N 0.970 123.836 122.820 0.076 0.000 2.238 594 A HA 0.403 4.724 4.320 0.001 0.000 0.210 594 A C 2.002 179.750 177.584 0.273 0.000 1.179 594 A CA 1.577 53.726 52.037 0.188 0.000 0.827 594 A CB -0.275 18.881 19.000 0.260 0.000 0.856 594 A HN 0.722 nan 8.150 nan 0.000 0.488 595 E N 0.435 120.713 120.200 0.129 0.000 2.209 595 E HA -0.173 4.177 4.350 0.001 0.000 0.196 595 E C 1.733 178.480 176.600 0.246 0.000 0.993 595 E CA 1.430 57.909 56.400 0.131 0.000 0.819 595 E CB -1.105 28.590 29.700 -0.008 0.000 0.745 595 E HN 0.378 nan 8.360 nan 0.000 0.477 596 G N 1.705 110.601 108.800 0.160 0.000 2.479 596 G HA2 -0.188 3.773 3.960 0.001 0.000 0.220 596 G HA3 -0.188 3.773 3.960 0.001 0.000 0.220 596 G C 1.673 176.630 174.900 0.096 0.000 1.115 596 G CA 0.676 45.842 45.100 0.110 0.000 0.757 596 G HN 0.272 nan 8.290 nan 0.000 0.560 597 L N -0.856 120.433 121.223 0.109 0.000 2.599 597 L HA 0.255 4.595 4.340 0.001 0.000 0.230 597 L C 0.972 177.629 176.870 -0.356 0.000 1.141 597 L CA 0.082 54.825 54.840 -0.161 0.000 0.877 597 L CB 0.021 41.841 42.059 -0.399 0.000 1.009 597 L HN 0.117 nan 8.230 nan 0.000 0.447 598 F N -0.083 119.844 119.950 -0.038 0.000 2.772 598 F HA 0.320 4.847 4.527 0.001 0.000 0.302 598 F C 1.560 177.356 175.800 -0.007 0.000 1.136 598 F CA -0.797 57.187 58.000 -0.026 0.000 1.322 598 F CB -0.039 38.941 39.000 -0.033 0.000 0.967 598 F HN -0.117 nan 8.300 nan 0.000 0.513 599 G N 0.228 109.086 108.800 0.096 0.000 2.432 599 G HA2 0.283 4.244 3.960 0.001 0.000 0.239 599 G HA3 0.283 4.244 3.960 0.001 0.000 0.239 599 G C 1.059 175.993 174.900 0.057 0.000 1.291 599 G CA 0.179 45.320 45.100 0.068 0.000 0.863 599 G HN 0.400 nan 8.290 nan 0.000 0.560 600 A N 1.540 124.373 122.820 0.022 0.000 2.070 600 A HA -0.025 4.295 4.320 0.001 0.000 0.220 600 A C 1.726 179.301 177.584 -0.015 0.000 1.159 600 A CA 1.686 53.710 52.037 -0.022 0.000 0.656 600 A CB -0.052 18.919 19.000 -0.048 0.000 0.800 600 A HN 0.515 nan 8.150 nan 0.000 0.453 601 D N -0.280 120.129 120.400 0.015 0.000 2.349 601 D HA -0.009 4.632 4.640 0.001 0.000 0.224 601 D C 1.997 178.343 176.300 0.077 0.000 1.029 601 D CA 0.965 54.982 54.000 0.029 0.000 0.879 601 D CB -0.044 40.767 40.800 0.018 0.000 0.906 601 D HN 0.590 nan 8.370 nan 0.000 0.528 602 S N -0.560 115.213 115.700 0.121 0.000 2.453 602 S HA -0.100 4.371 4.470 0.001 0.000 0.231 602 S C 1.727 176.458 174.600 0.218 0.000 1.005 602 S CA 0.199 58.484 58.200 0.141 0.000 0.949 602 S CB -0.420 62.845 63.200 0.108 0.000 0.774 602 S HN 0.046 nan 8.310 nan 0.000 0.510 603 F N 3.213 123.149 119.950 -0.023 0.000 2.259 603 F HA 0.083 4.611 4.527 0.001 0.000 0.298 603 F C 2.715 178.507 175.800 -0.014 0.000 1.088 603 F CA 1.159 59.148 58.000 -0.017 0.000 1.358 603 F CB -0.772 38.219 39.000 -0.016 0.000 1.040 603 F HN 0.499 nan 8.300 nan 0.000 0.505 604 T N -4.185 110.477 114.554 0.179 0.000 3.004 604 T HA 0.253 4.604 4.350 0.001 0.000 0.266 604 T C 0.479 175.208 174.700 0.048 0.000 0.986 604 T CA -0.028 62.129 62.100 0.094 0.000 0.902 604 T CB -0.614 68.302 68.868 0.080 0.000 1.118 604 T HN -0.104 nan 8.240 nan 0.000 0.522 605 V N 2.506 122.446 119.914 0.043 0.000 2.673 605 V HA 0.194 4.315 4.120 0.001 0.000 0.303 605 V C 0.402 176.499 176.094 0.004 0.000 1.046 605 V CA -0.330 61.981 62.300 0.019 0.000 1.126 605 V CB 0.754 32.586 31.823 0.014 0.000 0.934 605 V HN 0.618 nan 8.190 nan 0.000 0.487 606 E N 8.496 128.696 120.200 -0.001 0.000 2.299 606 E HA 0.237 4.587 4.350 0.001 0.000 0.272 606 E C -2.173 174.416 176.600 -0.017 0.000 1.043 606 E CA -1.718 54.677 56.400 -0.008 0.000 0.895 606 E CB 0.956 30.652 29.700 -0.007 0.000 1.011 606 E HN 0.602 nan 8.360 nan 0.000 0.432 607 P HA 0.046 nan 4.420 nan 0.000 0.214 607 P C -0.759 176.520 177.300 -0.035 0.000 1.826 607 P CA -0.255 62.822 63.100 -0.039 0.000 0.977 607 P CB -0.017 31.652 31.700 -0.051 0.000 1.930 608 S N 0.195 115.878 115.700 -0.028 0.000 2.645 608 S HA 0.483 4.954 4.470 0.001 0.000 0.266 608 S C 1.767 176.351 174.600 -0.027 0.000 1.258 608 S CA -0.131 58.054 58.200 -0.024 0.000 0.990 608 S CB 0.939 64.128 63.200 -0.018 0.000 0.967 608 S HN 0.181 nan 8.310 nan 0.000 0.556 609 A N 1.141 123.947 122.820 -0.023 0.000 1.958 609 A HA 0.014 4.334 4.320 0.001 0.000 0.221 609 A C 2.010 179.581 177.584 -0.022 0.000 1.178 609 A CA 1.901 53.925 52.037 -0.023 0.000 0.642 609 A CB -1.680 17.309 19.000 -0.018 0.000 0.816 609 A HN 1.217 nan 8.150 nan 0.000 0.453 610 G N -1.094 107.695 108.800 -0.019 0.000 3.042 610 G HA2 0.169 4.130 3.960 0.001 0.000 0.212 610 G HA3 0.169 4.130 3.960 0.001 0.000 0.212 610 G C 1.476 176.365 174.900 -0.018 0.000 1.166 610 G CA 1.104 46.195 45.100 -0.016 0.000 0.767 610 G HN 0.812 nan 8.290 nan 0.000 0.546 611 S N -0.701 114.985 115.700 -0.022 0.000 2.501 611 S HA 0.308 4.778 4.470 0.001 0.000 0.220 611 S C 1.969 176.553 174.600 -0.027 0.000 0.997 611 S CA 1.054 59.240 58.200 -0.023 0.000 0.919 611 S CB -0.099 63.086 63.200 -0.026 0.000 0.778 611 S HN 1.319 nan 8.310 nan 0.000 0.523 612 G N 1.364 110.144 108.800 -0.033 0.000 2.168 612 G HA2 -0.141 3.820 3.960 0.001 0.000 0.257 612 G HA3 -0.141 3.820 3.960 0.001 0.000 0.257 612 G C 0.268 175.132 174.900 -0.060 0.000 0.997 612 G CA 0.128 45.205 45.100 -0.039 0.000 0.708 612 G HN 1.320 nan 8.290 nan 0.000 0.520 613 A N -0.146 122.631 122.820 -0.072 0.000 2.462 613 A HA 0.663 4.983 4.320 0.001 0.000 0.243 613 A C 0.928 178.410 177.584 -0.170 0.000 1.076 613 A CA 1.053 53.023 52.037 -0.112 0.000 0.773 613 A CB 0.629 19.571 19.000 -0.097 0.000 1.010 613 A HN 1.511 nan 8.150 nan 0.000 0.493 614 S N 0.273 115.795 115.700 -0.296 0.000 2.565 614 S HA 0.332 4.802 4.470 0.001 0.000 0.274 614 S C 1.459 175.829 174.600 -0.384 0.000 1.309 614 S CA 0.126 58.085 58.200 -0.402 0.000 1.043 614 S CB 0.464 63.206 63.200 -0.764 0.000 0.939 614 S HN 1.123 nan 8.310 nan 0.000 0.504 615 T N 3.080 117.482 114.554 -0.254 0.000 3.129 615 T HA 0.189 4.540 4.350 0.001 0.000 0.251 615 T C 1.372 175.963 174.700 -0.181 0.000 1.117 615 T CA 0.209 62.196 62.100 -0.188 0.000 1.034 615 T CB -0.311 68.493 68.868 -0.108 0.000 0.968 615 T HN 0.564 nan 8.240 nan 0.000 0.526 616 L N 0.258 121.331 121.223 -0.251 0.000 2.492 616 L HA 0.297 4.638 4.340 0.001 0.000 0.223 616 L C 0.134 177.025 176.870 0.036 0.000 1.132 616 L CA -0.041 54.751 54.840 -0.079 0.000 0.850 616 L CB -0.170 41.906 42.059 0.029 0.000 0.966 616 L HN 0.536 nan 8.230 nan 0.000 0.454 617 Y N -4.394 115.901 120.300 -0.009 0.000 2.624 617 Y HA 0.638 5.188 4.550 0.001 0.000 0.334 617 Y C -2.990 172.873 175.900 -0.063 0.000 1.155 617 Y CA -3.533 54.557 58.100 -0.017 0.000 1.046 617 Y CB -0.402 38.062 38.460 0.007 0.000 1.316 617 Y HN -0.272 nan 8.280 nan 0.000 0.457 618 P HA 0.267 nan 4.420 nan 0.000 0.269 618 P C -0.532 176.786 177.300 0.030 0.000 1.215 618 P CA 0.196 63.310 63.100 0.024 0.000 0.780 618 P CB 0.529 32.221 31.700 -0.014 0.000 0.898 619 A N 2.587 125.365 122.820 -0.070 0.000 2.573 619 A HA 0.358 4.678 4.320 0.001 0.000 0.250 619 A C 1.548 178.999 177.584 -0.222 0.000 1.049 619 A CA 0.815 52.795 52.037 -0.094 0.000 0.767 619 A CB -1.543 17.405 19.000 -0.087 0.000 0.965 619 A HN 0.928 nan 8.150 nan 0.000 0.514 620 G N 2.073 110.774 108.800 -0.165 0.000 2.179 620 G HA2 -0.325 3.635 3.960 0.001 0.000 0.260 620 G HA3 -0.325 3.635 3.960 0.001 0.000 0.260 620 G C 1.113 175.795 174.900 -0.363 0.000 0.977 620 G CA 1.068 45.979 45.100 -0.316 0.000 0.641 620 G HN 1.137 nan 8.290 nan 0.000 0.533 621 R N 1.610 121.947 120.500 -0.272 0.000 2.096 621 R HA -0.016 4.324 4.340 0.001 0.000 0.240 621 R C 0.118 176.218 176.300 -0.333 0.000 1.139 621 R CA 2.528 58.465 56.100 -0.271 0.000 0.952 621 R CB -1.347 28.845 30.300 -0.180 0.000 0.854 621 R HN 0.474 nan 8.270 nan 0.000 0.436 622 P HA -0.135 nan 4.420 nan 0.000 0.215 622 P C 1.296 178.400 177.300 -0.326 0.000 1.157 622 P CA 0.963 63.602 63.100 -0.768 0.000 0.868 622 P CB -0.150 30.573 31.700 -1.629 0.000 0.788 623 L N -0.342 120.742 121.223 -0.231 0.000 2.131 623 L HA -0.113 4.227 4.340 0.001 0.000 0.210 623 L C 1.971 179.002 176.870 0.269 0.000 1.092 623 L CA 1.865 56.830 54.840 0.209 0.000 0.759 623 L CB -1.665 40.558 42.059 0.273 0.000 0.903 623 L HN -0.128 nan 8.230 nan 0.000 0.435 624 N N -0.079 118.761 118.700 0.233 0.000 2.104 624 N HA -0.203 4.538 4.740 0.001 0.000 0.190 624 N C 1.796 177.378 175.510 0.121 0.000 1.024 624 N CA 1.969 55.151 53.050 0.221 0.000 0.853 624 N CB -0.242 38.236 38.487 -0.015 0.000 1.008 624 N HN 0.488 nan 8.380 nan 0.000 0.424 625 I N -0.317 120.325 120.570 0.120 0.000 2.179 625 I HA -0.236 3.935 4.170 0.001 0.000 0.242 625 I C 2.096 178.313 176.117 0.167 0.000 1.088 625 I CA 0.604 61.999 61.300 0.159 0.000 1.357 625 I CB -0.273 37.870 38.000 0.238 0.000 1.051 625 I HN 0.190 nan 8.210 nan 0.000 0.409 626 L N 0.689 122.042 121.223 0.218 0.000 2.017 626 L HA -0.184 4.157 4.340 0.001 0.000 0.208 626 L C 2.294 179.232 176.870 0.113 0.000 1.073 626 L CA 1.867 56.814 54.840 0.178 0.000 0.745 626 L CB -0.480 41.711 42.059 0.220 0.000 0.894 626 L HN 0.128 nan 8.230 nan 0.000 0.432 627 L N -0.843 120.435 121.223 0.091 0.000 2.056 627 L HA -0.193 4.148 4.340 0.001 0.000 0.207 627 L C 2.270 179.113 176.870 -0.045 0.000 1.078 627 L CA 1.237 56.100 54.840 0.039 0.000 0.749 627 L CB -0.806 41.265 42.059 0.020 0.000 0.901 627 L HN 0.274 nan 8.230 nan 0.000 0.433 628 D N 0.215 120.526 120.400 -0.148 0.000 2.097 628 D HA -0.157 4.483 4.640 0.001 0.000 0.195 628 D C 2.238 178.213 176.300 -0.541 0.000 0.989 628 D CA 1.520 55.188 54.000 -0.554 0.000 0.827 628 D CB -0.062 40.451 40.800 -0.478 0.000 0.966 628 D HN 0.284 nan 8.370 nan 0.000 0.456 629 A N 0.307 123.057 122.820 -0.117 0.000 1.883 629 A HA -0.207 4.113 4.320 0.001 0.000 0.217 629 A C 2.177 179.802 177.584 0.069 0.000 1.186 629 A CA 1.268 53.341 52.037 0.061 0.000 0.624 629 A CB -1.088 18.001 19.000 0.148 0.000 0.822 629 A HN 0.276 nan 8.150 nan 0.000 0.444 630 F N 0.500 120.409 119.950 -0.068 0.000 2.102 630 F HA -0.154 4.374 4.527 0.001 0.000 0.298 630 F C 2.476 178.226 175.800 -0.084 0.000 1.105 630 F CA 1.967 59.923 58.000 -0.072 0.000 1.239 630 F CB -0.191 38.751 39.000 -0.096 0.000 0.991 630 F HN 0.095 nan 8.300 nan 0.000 0.474 631 R N -0.949 119.510 120.500 -0.068 0.000 2.115 631 R HA -0.134 4.206 4.340 0.001 0.000 0.230 631 R C 1.958 178.248 176.300 -0.016 0.000 1.111 631 R CA 1.100 57.121 56.100 -0.132 0.000 0.976 631 R CB -0.558 29.683 30.300 -0.097 0.000 0.870 631 R HN 0.272 nan 8.270 nan 0.000 0.445 632 F N -0.309 119.634 119.950 -0.012 0.000 2.661 632 F HA 0.152 4.680 4.527 0.001 0.000 0.298 632 F C 1.748 177.659 175.800 0.184 0.000 1.137 632 F CA 0.902 58.962 58.000 0.099 0.000 1.454 632 F CB -0.298 38.726 39.000 0.040 0.000 1.103 632 F HN 0.271 nan 8.300 nan 0.000 0.577 633 G N 0.159 109.055 108.800 0.159 0.000 2.159 633 G HA2 -0.263 3.698 3.960 0.001 0.000 0.227 633 G HA3 -0.263 3.698 3.960 0.001 0.000 0.227 633 G C 0.475 175.480 174.900 0.175 0.000 0.986 633 G CA -0.329 44.865 45.100 0.158 0.000 0.651 633 G HN 0.339 nan 8.290 nan 0.000 0.523 634 K N 1.008 121.480 120.400 0.119 0.000 2.202 634 K HA 0.473 4.794 4.320 0.001 0.000 0.264 634 K C 0.638 177.334 176.600 0.160 0.000 1.010 634 K CA -0.065 56.297 56.287 0.124 0.000 0.940 634 K CB 0.494 33.069 32.500 0.126 0.000 0.983 634 K HN 0.076 nan 8.250 nan 0.000 0.475 635 T N 1.798 116.491 114.554 0.232 0.000 2.866 635 T HA 0.117 4.467 4.350 0.001 0.000 0.293 635 T C -0.041 174.740 174.700 0.136 0.000 1.005 635 T CA -0.288 61.932 62.100 0.201 0.000 1.162 635 T CB -0.160 68.876 68.868 0.279 0.000 0.968 635 T HN 0.426 nan 8.240 nan 0.000 0.530 636 V N 1.006 120.974 119.914 0.090 0.000 2.962 636 V HA 1.072 5.192 4.120 0.001 0.000 0.313 636 V C -0.027 176.152 176.094 0.141 0.000 1.099 636 V CA -0.685 61.683 62.300 0.114 0.000 0.971 636 V CB 2.139 34.034 31.823 0.120 0.000 1.028 636 V HN 1.016 nan 8.190 nan 0.000 0.430 637 G N 0.863 109.764 108.800 0.168 0.000 2.682 637 G HA2 1.003 4.963 3.960 0.001 0.000 0.290 637 G HA3 1.003 4.963 3.960 0.001 0.000 0.290 637 G C -1.147 173.850 174.900 0.161 0.000 1.425 637 G CA -0.380 44.885 45.100 0.276 0.000 0.807 637 G HN 1.908 nan 8.290 nan 0.000 0.482 638 A N -0.347 122.554 122.820 0.135 0.000 2.547 638 A HA 0.744 5.065 4.320 0.001 0.000 0.297 638 A C -1.402 176.066 177.584 -0.192 0.000 1.056 638 A CA -0.495 51.504 52.037 -0.064 0.000 0.688 638 A CB 1.291 20.227 19.000 -0.107 0.000 1.282 638 A HN 0.766 nan 8.150 nan 0.000 0.400 639 L N 2.566 123.619 121.223 -0.284 0.000 2.296 639 L HA 0.622 4.963 4.340 0.001 0.000 0.286 639 L C 1.231 177.975 176.870 -0.210 0.000 1.023 639 L CA 0.493 55.112 54.840 -0.368 0.000 0.812 639 L CB 1.319 43.129 42.059 -0.415 0.000 1.223 639 L HN 1.492 nan 8.230 nan 0.000 0.421 640 G N 2.430 111.127 108.800 -0.172 0.000 2.574 640 G HA2 -0.338 3.622 3.960 0.001 0.000 0.286 640 G HA3 -0.338 3.622 3.960 0.001 0.000 0.286 640 G C 0.731 175.574 174.900 -0.094 0.000 1.212 640 G CA 0.341 45.374 45.100 -0.112 0.000 0.979 640 G HN 0.558 nan 8.290 nan 0.000 0.557 641 S N 1.577 117.231 115.700 -0.077 0.000 2.607 641 S HA 0.193 4.664 4.470 0.001 0.000 0.224 641 S C 2.298 176.849 174.600 -0.083 0.000 0.969 641 S CA 1.419 59.579 58.200 -0.066 0.000 0.927 641 S CB -0.363 62.810 63.200 -0.045 0.000 0.772 641 S HN 1.405 nan 8.310 nan 0.000 0.533 642 G N 2.166 110.901 108.800 -0.108 0.000 2.462 642 G HA2 -0.241 3.719 3.960 0.001 0.000 0.220 642 G HA3 -0.241 3.719 3.960 0.001 0.000 0.220 642 G C 1.554 176.346 174.900 -0.181 0.000 1.121 642 G CA 1.234 46.241 45.100 -0.155 0.000 0.758 642 G HN 0.682 nan 8.290 nan 0.000 0.559 643 S N 0.824 116.443 115.700 -0.135 0.000 2.442 643 S HA -0.117 4.354 4.470 0.001 0.000 0.236 643 S C 1.685 176.213 174.600 -0.120 0.000 1.007 643 S CA 1.528 59.655 58.200 -0.122 0.000 0.965 643 S CB -0.199 62.948 63.200 -0.087 0.000 0.773 643 S HN 0.287 nan 8.310 nan 0.000 0.504 644 D N 2.539 122.876 120.400 -0.105 0.000 2.182 644 D HA 0.004 4.644 4.640 0.001 0.000 0.201 644 D C 2.175 178.414 176.300 -0.101 0.000 0.986 644 D CA 1.392 55.342 54.000 -0.084 0.000 0.847 644 D CB -0.638 40.130 40.800 -0.053 0.000 0.942 644 D HN 0.598 nan 8.370 nan 0.000 0.467 645 A N 0.378 123.093 122.820 -0.175 0.000 1.930 645 A HA -0.101 4.219 4.320 0.001 0.000 0.217 645 A C 2.328 179.795 177.584 -0.195 0.000 1.175 645 A CA 0.754 52.648 52.037 -0.238 0.000 0.627 645 A CB -0.640 17.893 19.000 -0.779 0.000 0.815 645 A HN 0.223 nan 8.150 nan 0.000 0.443 646 L N -0.617 120.485 121.223 -0.202 0.000 2.046 646 L HA -0.222 4.118 4.340 0.001 0.000 0.208 646 L C 2.580 179.354 176.870 -0.161 0.000 1.077 646 L CA 1.695 56.426 54.840 -0.182 0.000 0.747 646 L CB -0.754 41.204 42.059 -0.168 0.000 0.896 646 L HN 0.479 nan 8.230 nan 0.000 0.432 647 E N -0.041 120.083 120.200 -0.127 0.000 2.051 647 E HA -0.181 4.170 4.350 0.001 0.000 0.192 647 E C 2.339 178.882 176.600 -0.094 0.000 0.991 647 E CA 1.526 57.862 56.400 -0.106 0.000 0.799 647 E CB -0.111 29.541 29.700 -0.081 0.000 0.748 647 E HN 0.370 nan 8.360 nan 0.000 0.449 648 S N 0.308 115.966 115.700 -0.069 0.000 2.383 648 S HA -0.127 4.343 4.470 0.001 0.000 0.229 648 S C 1.907 176.466 174.600 -0.068 0.000 1.030 648 S CA 1.153 59.327 58.200 -0.043 0.000 1.002 648 S CB -0.253 62.958 63.200 0.018 0.000 0.829 648 S HN 0.450 nan 8.310 nan 0.000 0.467 649 G N -0.035 108.712 108.800 -0.089 0.000 3.088 649 G HA2 0.169 4.130 3.960 0.001 0.000 0.212 649 G HA3 0.169 4.130 3.960 0.001 0.000 0.212 649 G C 0.060 174.841 174.900 -0.197 0.000 1.173 649 G CA -0.289 44.734 45.100 -0.128 0.000 0.779 649 G HN 0.526 nan 8.290 nan 0.000 0.540 650 Q N -1.118 118.572 119.800 -0.184 0.000 2.475 650 Q HA -0.176 4.165 4.340 0.001 0.000 0.280 650 Q C -0.419 175.396 176.000 -0.310 0.000 1.234 650 Q CA 0.471 56.152 55.803 -0.203 0.000 0.873 650 Q CB -1.823 26.813 28.738 -0.170 0.000 1.256 650 Q HN 0.537 nan 8.270 nan 0.000 0.475 651 I N 0.644 121.001 120.570 -0.355 0.000 2.328 651 I HA 0.223 4.394 4.170 0.001 0.000 0.287 651 I C 0.413 176.340 176.117 -0.318 0.000 1.012 651 I CA -0.383 60.605 61.300 -0.519 0.000 1.195 651 I CB 1.728 39.362 38.000 -0.611 0.000 1.350 651 I HN 0.051 nan 8.210 nan 0.000 0.464 652 S N 3.445 118.986 115.700 -0.266 0.000 2.545 652 S HA 0.118 4.589 4.470 0.001 0.000 0.275 652 S C 1.342 175.858 174.600 -0.142 0.000 1.299 652 S CA -0.409 57.693 58.200 -0.163 0.000 1.048 652 S CB 0.996 64.124 63.200 -0.119 0.000 0.938 652 S HN 0.739 nan 8.310 nan 0.000 0.496 653 S N 3.525 119.156 115.700 -0.116 0.000 2.507 653 S HA -0.022 4.448 4.470 0.001 0.000 0.235 653 S C 1.094 175.631 174.600 -0.105 0.000 0.988 653 S CA 0.371 58.506 58.200 -0.108 0.000 0.944 653 S CB -0.306 62.851 63.200 -0.071 0.000 0.762 653 S HN 0.825 nan 8.310 nan 0.000 0.526 654 E N 1.119 121.269 120.200 -0.084 0.000 2.347 654 E HA 0.041 4.391 4.350 0.001 0.000 0.196 654 E C 0.451 177.007 176.600 -0.075 0.000 1.008 654 E CA 0.311 56.670 56.400 -0.067 0.000 0.852 654 E CB -0.083 29.588 29.700 -0.049 0.000 0.783 654 E HN 0.468 nan 8.360 nan 0.000 0.505 655 R N 1.905 122.356 120.500 -0.081 0.000 2.641 655 R HA 0.118 4.458 4.340 0.001 0.000 0.269 655 R C 0.701 176.906 176.300 -0.159 0.000 1.074 655 R CA -0.140 55.925 56.100 -0.058 0.000 1.133 655 R CB 0.338 30.666 30.300 0.045 0.000 1.029 655 R HN 0.095 nan 8.270 nan 0.000 0.488 656 Q N 0.186 119.905 119.800 -0.135 0.000 2.361 656 Q HA 0.110 4.450 4.340 0.001 0.000 0.276 656 Q C 0.988 176.553 176.000 -0.725 0.000 1.022 656 Q CA 1.029 56.697 55.803 -0.225 0.000 0.898 656 Q CB 0.516 29.294 28.738 0.067 0.000 1.246 656 Q HN 0.900 nan 8.270 nan 0.000 0.410 657 G N 1.195 109.242 108.800 -1.254 0.000 2.143 657 G HA2 -0.227 3.733 3.960 0.001 0.000 0.248 657 G HA3 -0.227 3.733 3.960 0.001 0.000 0.248 657 G C -0.190 174.051 174.900 -1.099 0.000 0.991 657 G CA 0.205 44.082 45.100 -2.038 0.000 0.689 657 G HN 0.404 nan 8.290 nan 0.000 0.522 658 V N 0.319 119.660 119.914 -0.955 0.000 2.444 658 V HA 0.695 4.816 4.120 0.001 0.000 0.294 658 V C -0.637 175.085 176.094 -0.620 0.000 1.022 658 V CA -1.046 60.944 62.300 -0.517 0.000 0.850 658 V CB 1.348 33.032 31.823 -0.230 0.000 0.992 658 V HN 0.264 nan 8.190 nan 0.000 0.426 659 Y N 1.936 122.222 120.300 -0.024 0.000 2.391 659 Y HA 0.671 5.222 4.550 0.000 0.000 0.341 659 Y C 0.543 176.547 175.900 0.173 0.000 0.965 659 Y CA -0.855 57.269 58.100 0.040 0.000 1.067 659 Y CB 2.387 40.823 38.460 -0.040 0.000 1.199 659 Y HN 0.678 nan 8.280 nan 0.000 0.450 660 T N -0.506 114.217 114.554 0.281 0.000 2.856 660 T HA 0.908 5.258 4.350 0.001 0.000 0.283 660 T C -0.091 174.754 174.700 0.241 0.000 1.008 660 T CA -0.852 61.370 62.100 0.203 0.000 0.997 660 T CB 1.830 70.734 68.868 0.060 0.000 0.992 660 T HN 0.936 nan 8.240 nan 0.000 0.454 661 G N 0.765 109.606 108.800 0.069 0.000 2.620 661 G HA2 0.459 4.420 3.960 0.001 0.000 0.301 661 G HA3 0.459 4.420 3.960 0.001 0.000 0.301 661 G C 0.276 175.092 174.900 -0.139 0.000 1.347 661 G CA -0.913 44.189 45.100 0.003 0.000 0.971 661 G HN 0.864 nan 8.290 nan 0.000 0.488 662 K N 0.134 120.494 120.400 -0.066 0.000 2.097 662 K HA -0.066 4.254 4.320 0.001 0.000 0.205 662 K C 0.730 177.262 176.600 -0.113 0.000 1.050 662 K CA 1.780 58.023 56.287 -0.072 0.000 0.938 662 K CB -0.077 32.405 32.500 -0.030 0.000 0.718 662 K HN 0.682 nan 8.250 nan 0.000 0.442 663 N N -2.782 115.840 118.700 -0.130 0.000 3.277 663 N HA 0.201 4.941 4.740 0.001 0.000 0.278 663 N C -1.118 174.295 175.510 -0.163 0.000 1.544 663 N CA -0.390 52.577 53.050 -0.139 0.000 0.869 663 N CB 0.873 39.321 38.487 -0.066 0.000 1.584 663 N HN -0.080 nan 8.380 nan 0.000 0.564 664 A N -0.846 121.907 122.820 -0.112 0.000 2.503 664 A HA 0.546 4.866 4.320 0.001 0.000 0.263 664 A C 0.757 178.377 177.584 0.060 0.000 1.360 664 A CA 0.167 52.178 52.037 -0.044 0.000 0.969 664 A CB -1.596 17.382 19.000 -0.036 0.000 1.000 664 A HN 0.771 nan 8.150 nan 0.000 0.530 665 G N -1.146 107.692 108.800 0.063 0.000 2.531 665 G HA2 0.327 4.288 3.960 0.001 0.000 0.281 665 G HA3 0.327 4.288 3.960 0.001 0.000 0.281 665 G C 0.258 175.214 174.900 0.094 0.000 1.382 665 G CA -0.083 45.057 45.100 0.066 0.000 1.045 665 G HN 0.182 nan 8.290 nan 0.000 0.533 666 D N -0.154 120.281 120.400 0.057 0.000 2.149 666 D HA -0.156 4.485 4.640 0.001 0.000 0.198 666 D C 2.672 178.997 176.300 0.042 0.000 0.990 666 D CA 1.556 55.580 54.000 0.041 0.000 0.839 666 D CB -0.364 40.450 40.800 0.023 0.000 0.948 666 D HN 0.333 nan 8.370 nan 0.000 0.460 667 A N 0.536 123.393 122.820 0.061 0.000 1.877 667 A HA -0.188 4.133 4.320 0.001 0.000 0.216 667 A C 2.113 179.739 177.584 0.070 0.000 1.186 667 A CA 1.142 53.213 52.037 0.057 0.000 0.620 667 A CB -0.972 18.070 19.000 0.071 0.000 0.822 667 A HN 0.260 nan 8.150 nan 0.000 0.443 668 F N 0.873 120.805 119.950 -0.030 0.000 2.146 668 F HA 0.044 4.572 4.527 0.001 0.000 0.298 668 F C 2.489 178.245 175.800 -0.074 0.000 1.096 668 F CA 0.978 58.952 58.000 -0.043 0.000 1.275 668 F CB -0.451 38.535 39.000 -0.024 0.000 1.008 668 F HN 0.241 nan 8.300 nan 0.000 0.480 669 A N 0.470 123.282 122.820 -0.015 0.000 1.940 669 A HA -0.274 4.047 4.320 0.001 0.000 0.219 669 A C 2.325 179.798 177.584 -0.185 0.000 1.176 669 A CA 1.995 53.966 52.037 -0.111 0.000 0.631 669 A CB -0.925 18.074 19.000 -0.001 0.000 0.814 669 A HN 0.501 nan 8.150 nan 0.000 0.446 670 K N -0.587 119.730 120.400 -0.138 0.000 2.097 670 K HA -0.210 4.110 4.320 0.001 0.000 0.206 670 K C 1.266 177.719 176.600 -0.246 0.000 1.049 670 K CA 1.735 57.938 56.287 -0.140 0.000 0.933 670 K CB -0.220 32.235 32.500 -0.074 0.000 0.717 670 K HN 0.371 nan 8.250 nan 0.000 0.442 671 D N 0.935 121.109 120.400 -0.377 0.000 2.117 671 D HA -0.138 4.502 4.640 0.001 0.000 0.198 671 D C 1.953 177.682 176.300 -0.953 0.000 0.982 671 D CA 0.882 54.468 54.000 -0.690 0.000 0.828 671 D CB -0.060 40.285 40.800 -0.759 0.000 0.967 671 D HN 0.199 nan 8.370 nan 0.000 0.464 672 I N 1.287 121.373 120.570 -0.807 0.000 2.264 672 I HA -0.218 3.952 4.170 0.001 0.000 0.248 672 I C 2.119 178.068 176.117 -0.279 0.000 1.111 672 I CA 1.144 62.110 61.300 -0.556 0.000 1.382 672 I CB -0.689 37.028 38.000 -0.472 0.000 1.060 672 I HN 0.058 nan 8.210 nan 0.000 0.418 673 K N 0.199 120.466 120.400 -0.222 0.000 2.057 673 K HA -0.144 4.176 4.320 0.001 0.000 0.207 673 K C 2.340 178.902 176.600 -0.064 0.000 1.049 673 K CA 1.514 57.741 56.287 -0.101 0.000 0.931 673 K CB -0.220 32.232 32.500 -0.079 0.000 0.714 673 K HN 0.154 nan 8.250 nan 0.000 0.440 674 S N 0.410 116.044 115.700 -0.110 0.000 2.370 674 S HA -0.132 4.338 4.470 0.001 0.000 0.226 674 S C 2.093 176.758 174.600 0.108 0.000 1.033 674 S CA 1.626 59.815 58.200 -0.018 0.000 1.011 674 S CB -0.512 62.670 63.200 -0.031 0.000 0.852 674 S HN 0.487 nan 8.310 nan 0.000 0.457 675 G N 1.496 110.358 108.800 0.103 0.000 2.421 675 G HA2 -0.118 3.842 3.960 0.001 0.000 0.216 675 G HA3 -0.118 3.842 3.960 0.001 0.000 0.216 675 G C 1.436 176.514 174.900 0.297 0.000 1.171 675 G CA 0.931 46.294 45.100 0.439 0.000 0.775 675 G HN 0.518 nan 8.290 nan 0.000 0.543 676 L N 0.762 122.079 121.223 0.158 0.000 2.042 676 L HA -0.108 4.232 4.340 0.001 0.000 0.210 676 L C 3.207 180.183 176.870 0.177 0.000 1.076 676 L CA 1.243 56.185 54.840 0.170 0.000 0.749 676 L CB -0.383 41.749 42.059 0.121 0.000 0.893 676 L HN 0.175 nan 8.230 nan 0.000 0.432 677 S N -0.905 114.861 115.700 0.109 0.000 2.382 677 S HA -0.179 4.292 4.470 0.001 0.000 0.228 677 S C 1.998 176.639 174.600 0.069 0.000 1.027 677 S CA 1.846 60.092 58.200 0.076 0.000 0.991 677 S CB -0.290 62.936 63.200 0.043 0.000 0.823 677 S HN 0.461 nan 8.310 nan 0.000 0.469 678 T N 0.526 115.104 114.554 0.040 0.000 2.821 678 T HA 0.007 4.357 4.350 0.001 0.000 0.267 678 T C 1.064 175.751 174.700 -0.022 0.000 1.046 678 T CA 1.313 63.357 62.100 -0.094 0.000 1.139 678 T CB -0.375 68.271 68.868 -0.370 0.000 0.871 678 T HN 0.419 nan 8.240 nan 0.000 0.454 679 F N 0.707 120.588 119.950 -0.114 0.000 2.544 679 F HA -0.280 4.247 4.527 0.001 0.000 0.702 679 F C 0.107 175.926 175.800 0.033 0.000 0.487 679 F CA 1.821 59.809 58.000 -0.020 0.000 0.774 679 F CB -0.506 38.463 39.000 -0.052 0.000 1.639 679 F HN 0.140 nan 8.300 nan 0.000 0.268 680 K N 0.394 120.735 120.400 -0.097 0.000 2.397 680 K HA 0.501 4.821 4.320 0.001 0.000 0.253 680 K C -1.370 175.119 176.600 -0.186 0.000 0.932 680 K CA -0.706 55.551 56.287 -0.049 0.000 0.795 680 K CB 0.969 33.601 32.500 0.220 0.000 1.159 680 K HN 0.009 nan 8.250 nan 0.000 0.424 681 F N 5.780 125.792 119.950 0.104 0.000 2.423 681 F HA 0.189 4.717 4.527 0.001 0.000 0.356 681 F C 1.138 177.022 175.800 0.139 0.000 1.170 681 F CA -0.392 57.651 58.000 0.071 0.000 1.163 681 F CB 0.424 39.401 39.000 -0.038 0.000 1.318 681 F HN 0.435 nan 8.300 nan 0.000 0.569 682 L N 1.639 122.987 121.223 0.208 0.000 2.465 682 L HA -0.149 4.191 4.340 0.001 0.000 0.224 682 L C 1.782 178.793 176.870 0.235 0.000 1.145 682 L CA 0.576 55.582 54.840 0.277 0.000 0.834 682 L CB -0.420 41.677 42.059 0.064 0.000 0.944 682 L HN 0.522 nan 8.230 nan 0.000 0.451 683 D N -0.063 120.417 120.400 0.133 0.000 2.371 683 D HA -0.173 4.468 4.640 0.001 0.000 0.221 683 D C 1.720 178.001 176.300 -0.032 0.000 0.986 683 D CA 0.627 54.662 54.000 0.058 0.000 0.899 683 D CB -0.116 40.717 40.800 0.056 0.000 0.902 683 D HN 0.241 nan 8.370 nan 0.000 0.530 684 R N -0.717 119.681 120.500 -0.170 0.000 2.310 684 R HA 0.193 4.533 4.340 0.001 0.000 0.202 684 R C -0.380 175.496 176.300 -0.706 0.000 0.933 684 R CA -0.015 55.794 56.100 -0.486 0.000 1.054 684 R CB -0.045 29.794 30.300 -0.768 0.000 0.985 684 R HN 0.165 nan 8.270 nan 0.000 0.489 685 F N 0.535 120.501 119.950 0.028 0.000 2.467 685 F HA 0.451 4.979 4.527 0.001 0.000 0.336 685 F C 0.443 176.256 175.800 0.020 0.000 1.123 685 F CA -1.396 56.640 58.000 0.060 0.000 0.964 685 F CB 1.209 40.294 39.000 0.142 0.000 1.136 685 F HN -0.116 nan 8.300 nan 0.000 0.447 686 A N 2.583 125.506 122.820 0.172 0.000 2.445 686 A HA 0.640 4.961 4.320 0.001 0.000 0.242 686 A C -0.513 177.125 177.584 0.090 0.000 1.075 686 A CA -0.300 51.797 52.037 0.101 0.000 0.777 686 A CB 0.369 19.421 19.000 0.087 0.000 1.013 686 A HN 0.593 nan 8.150 nan 0.000 0.493 687 V N 2.444 122.383 119.914 0.041 0.000 2.735 687 V HA 0.251 4.372 4.120 0.001 0.000 0.310 687 V C -0.375 175.730 176.094 0.019 0.000 1.061 687 V CA -0.993 61.314 62.300 0.011 0.000 0.913 687 V CB 1.955 33.756 31.823 -0.037 0.000 1.005 687 V HN 0.962 nan 8.190 nan 0.000 0.428 688 D N 2.671 123.086 120.400 0.026 0.000 2.400 688 D HA 0.256 4.897 4.640 0.001 0.000 0.238 688 D C -0.004 176.308 176.300 0.019 0.000 1.157 688 D CA 0.428 54.448 54.000 0.033 0.000 0.889 688 D CB 1.315 42.146 40.800 0.050 0.000 1.199 688 D HN 0.613 nan 8.370 nan 0.000 0.436 689 E N 0.000 120.213 120.200 0.021 0.000 2.725 689 E HA 0.000 4.350 4.350 0.001 0.000 0.291 689 E CA 0.000 56.408 56.400 0.013 0.000 0.976 689 E CB 0.000 29.707 29.700 0.012 0.000 0.812 689 E HN 0.000 nan 8.360 nan 0.000 0.440