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 3g0d_1_B DATA FIRST_RESID 36 DATA SEQUENCE HHHSRKTYTL TDYLKNTYRL KLYSLRWISD HEYLYKXXXN ILVFNAEYGN DATA SEQUENCE SSVFLENSTF DEFGHSINDY SISPDGQFIL LEYNYVKQWR HSYTASYDIY DATA SEQUENCE DLNKRQLITE ERIPNNTQWV TWSPVGHKLA YVWNNDIYVK IEPNLPSYRI DATA SEQUENCE TWTGKEDIIY NGITDWVYEE EVFSAYSALW WSPNGTFLAY AQFNDTEVPL DATA SEQUENCE IEYSFYSDES LQYPKTVRVP YPKAGAVNPT VKFFVVNTDS LSSVTNATSI DATA SEQUENCE QITAPASMLI GDHYLCDVTW ATQERISLQW LRRIQNYSVM DIcDYDESSG DATA SEQUENCE RWNcLVARQH IEMSTTGWVG RFRPSEPHFT LDGNSFYKII SNEEGYRHIc DATA SEQUENCE YFQIDKKDcT FITKGTWEVI GIEALTSDYL YYISNEYKGM PGGRNLYKIQ DATA SEQUENCE LSDYTKVTCL SCELNPERcQ YYSVSFSKEA KYYQLRcSGP GLPLYTLHSS DATA SEQUENCE VNDKGLRVLE DNSALDKMLQ NVQMPSKKLD FIILNETKFW YQMILPPHFD DATA SEQUENCE KSKKYPLLLD VYAGPCSQKA DTVFRLNWAT YLASTENIIV ASFDGRGSGY DATA SEQUENCE QGDKIMHAIN RRLGTFEVED QIEAARQFSK MGFVDNKRIA IWGWSYGGYV DATA SEQUENCE TSMVLGSGSG VFKcGIAVAP VSRWEYYDSV YTERYMGLPT PEDNLDHYRN DATA SEQUENCE STVMSRAENF KQVEYLLIHG TADDNVHFQQ SAQISKALVD VGVDFQAMWY DATA SEQUENCE TDEDHGIASS TAHQHIYTHM SHFIKQcFSL P 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 36 H HA 0.000 nan 4.556 nan 0.000 0.296 36 H C 0.000 175.307 175.328 -0.035 0.000 0.993 36 H CA 0.000 55.993 56.048 -0.092 0.000 1.023 36 H CB 0.000 29.714 29.762 -0.080 0.000 1.292 37 H N -0.062 119.104 119.070 0.159 0.000 3.395 37 H HA -0.186 4.333 4.556 -0.061 0.000 0.222 37 H C 0.692 176.126 175.328 0.177 0.000 1.099 37 H CA 1.541 57.687 56.048 0.164 0.000 1.182 37 H CB -2.770 27.013 29.762 0.034 0.000 1.188 37 H HN 0.976 nan 8.280 nan 0.000 0.317 38 H N 0.508 119.740 119.070 0.271 0.000 2.790 38 H HA 0.521 5.041 4.556 -0.060 0.000 0.358 38 H C 0.659 176.077 175.328 0.149 0.000 1.103 38 H CA 0.463 56.616 56.048 0.175 0.000 1.426 38 H CB 0.514 30.351 29.762 0.124 0.000 1.424 38 H HN 0.297 nan 8.280 nan 0.000 0.599 39 S N 1.738 117.521 115.700 0.138 0.000 2.481 39 S HA 0.411 4.845 4.470 -0.060 0.000 0.282 39 S C 1.676 176.342 174.600 0.109 0.000 1.243 39 S CA 0.236 58.511 58.200 0.125 0.000 1.078 39 S CB 0.540 63.810 63.200 0.118 0.000 0.916 39 S HN 0.932 nan 8.310 nan 0.000 0.495 40 R N 3.054 123.601 120.500 0.078 0.000 2.344 40 R HA 0.268 4.572 4.340 -0.060 0.000 0.209 40 R C 0.509 176.850 176.300 0.069 0.000 0.886 40 R CA 0.360 56.488 56.100 0.048 0.000 1.040 40 R CB -0.352 29.935 30.300 -0.021 0.000 1.114 40 R HN 0.553 nan 8.270 nan 0.000 0.547 41 K N 1.063 121.518 120.400 0.091 0.000 2.168 41 K HA 0.416 4.700 4.320 -0.060 0.000 0.258 41 K C 0.145 176.816 176.600 0.117 0.000 1.010 41 K CA 0.478 56.831 56.287 0.110 0.000 0.929 41 K CB 1.543 34.126 32.500 0.138 0.000 0.998 41 K HN 0.449 nan 8.250 nan 0.000 0.479 42 T N -2.123 112.512 114.554 0.134 0.000 2.887 42 T HA 0.257 4.571 4.350 -0.060 0.000 0.292 42 T C -1.308 173.517 174.700 0.209 0.000 1.087 42 T CA -0.788 61.402 62.100 0.150 0.000 1.009 42 T CB 0.567 69.519 68.868 0.140 0.000 1.203 42 T HN 0.461 nan 8.240 nan 0.000 0.518 43 Y N 2.689 123.040 120.300 0.085 0.000 2.504 43 Y HA 0.434 4.944 4.550 -0.067 0.000 0.351 43 Y C 0.867 176.911 175.900 0.240 0.000 0.988 43 Y CA -0.298 57.880 58.100 0.130 0.000 1.239 43 Y CB 0.031 38.511 38.460 0.035 0.000 1.128 43 Y HN 1.026 nan 8.280 nan 0.000 0.525 44 T N 2.228 116.776 114.554 -0.010 0.000 2.862 44 T HA 0.140 4.454 4.350 -0.060 0.000 0.276 44 T C 0.968 175.569 174.700 -0.164 0.000 0.974 44 T CA -0.721 61.421 62.100 0.069 0.000 0.966 44 T CB 1.223 70.107 68.868 0.027 0.000 1.072 44 T HN 0.674 nan 8.240 nan 0.000 0.538 45 L N 1.010 121.983 121.223 -0.416 0.000 2.046 45 L HA 0.006 4.310 4.340 -0.060 0.000 0.208 45 L C 2.671 179.401 176.870 -0.234 0.000 1.077 45 L CA 2.212 56.686 54.840 -0.611 0.000 0.747 45 L CB -1.518 40.044 42.059 -0.828 0.000 0.896 45 L HN 0.972 nan 8.230 nan 0.000 0.432 46 T N -0.538 113.909 114.554 -0.177 0.000 2.720 46 T HA -0.195 4.119 4.350 -0.060 0.000 0.268 46 T C 1.512 176.136 174.700 -0.126 0.000 1.037 46 T CA 1.527 63.556 62.100 -0.119 0.000 1.144 46 T CB -0.487 68.333 68.868 -0.079 0.000 0.864 46 T HN 0.408 nan 8.240 nan 0.000 0.444 47 D N 0.159 120.456 120.400 -0.171 0.000 2.104 47 D HA -0.113 4.491 4.640 -0.060 0.000 0.194 47 D C 1.781 177.995 176.300 -0.144 0.000 0.994 47 D CA 1.184 55.065 54.000 -0.198 0.000 0.830 47 D CB -0.463 40.139 40.800 -0.329 0.000 0.959 47 D HN 0.442 nan 8.370 nan 0.000 0.452 48 Y N 1.452 121.560 120.300 -0.319 0.000 2.145 48 Y HA -0.113 4.445 4.550 0.014 0.000 0.286 48 Y C 2.219 178.120 175.900 0.002 0.000 1.145 48 Y CA 1.241 59.317 58.100 -0.040 0.000 1.148 48 Y CB -0.527 37.965 38.460 0.053 0.000 0.981 48 Y HN -0.089 nan 8.280 nan 0.000 0.507 49 L N -0.160 120.919 121.223 -0.240 0.000 2.156 49 L HA -0.128 4.177 4.340 -0.060 0.000 0.208 49 L C 1.812 178.585 176.870 -0.162 0.000 1.095 49 L CA 1.139 55.817 54.840 -0.270 0.000 0.770 49 L CB -0.388 41.579 42.059 -0.154 0.000 0.914 49 L HN 0.054 nan 8.230 nan 0.000 0.439 50 K N -0.064 120.266 120.400 -0.117 0.000 2.358 50 K HA 0.119 4.403 4.320 -0.060 0.000 0.197 50 K C -0.015 176.543 176.600 -0.069 0.000 1.025 50 K CA -0.082 56.155 56.287 -0.082 0.000 1.104 50 K CB -0.004 32.453 32.500 -0.072 0.000 0.855 50 K HN 0.152 nan 8.250 nan 0.000 0.531 51 N N 0.580 119.246 118.700 -0.055 0.000 2.740 51 N HA -0.167 4.537 4.740 -0.060 0.000 0.248 51 N C 0.327 175.830 175.510 -0.011 0.000 1.062 51 N CA 0.805 53.856 53.050 0.002 0.000 0.704 51 N CB -1.236 37.243 38.487 -0.012 0.000 0.968 51 N HN 0.108 nan 8.380 nan 0.000 0.547 52 T N -1.094 113.422 114.554 -0.065 0.000 2.665 52 T HA -0.205 4.109 4.350 -0.060 0.000 0.268 52 T C 0.424 174.943 174.700 -0.302 0.000 1.035 52 T CA 1.479 63.430 62.100 -0.249 0.000 1.151 52 T CB -0.159 68.464 68.868 -0.408 0.000 0.862 52 T HN 0.359 nan 8.240 nan 0.000 0.438 53 Y N 1.353 121.750 120.300 0.161 0.000 2.491 53 Y HA 0.517 5.032 4.550 -0.058 0.000 0.334 53 Y C 0.387 176.399 175.900 0.186 0.000 0.969 53 Y CA -0.995 57.226 58.100 0.202 0.000 1.241 53 Y CB 0.578 39.227 38.460 0.316 0.000 1.105 53 Y HN -0.105 nan 8.280 nan 0.000 0.503 54 R N 3.421 124.062 120.500 0.234 0.000 2.294 54 R HA 0.534 4.838 4.340 -0.060 0.000 0.319 54 R C -1.156 175.248 176.300 0.174 0.000 0.984 54 R CA -0.631 55.572 56.100 0.171 0.000 0.861 54 R CB 0.766 31.123 30.300 0.095 0.000 1.104 54 R HN 0.695 nan 8.270 nan 0.000 0.451 55 L N 4.892 126.220 121.223 0.175 0.000 2.313 55 L HA 0.260 4.564 4.340 -0.060 0.000 0.282 55 L C 0.147 177.094 176.870 0.128 0.000 1.092 55 L CA -0.069 54.875 54.840 0.173 0.000 0.831 55 L CB 0.927 43.108 42.059 0.203 0.000 1.159 55 L HN 0.467 nan 8.230 nan 0.000 0.442 56 K N 3.478 123.945 120.400 0.112 0.000 2.218 56 K HA 0.514 4.798 4.320 -0.060 0.000 0.276 56 K C -0.791 175.817 176.600 0.015 0.000 1.022 56 K CA -0.553 55.768 56.287 0.058 0.000 0.946 56 K CB 1.094 33.622 32.500 0.047 0.000 1.000 56 K HN 0.248 nan 8.250 nan 0.000 0.468 57 L N 1.845 123.007 121.223 -0.101 0.000 2.304 57 L HA 0.426 4.730 4.340 -0.060 0.000 0.268 57 L C -0.946 175.615 176.870 -0.514 0.000 1.010 57 L CA -0.659 53.971 54.840 -0.349 0.000 0.813 57 L CB 0.516 42.514 42.059 -0.102 0.000 1.315 57 L HN 0.460 nan 8.230 nan 0.000 0.445 58 Y N 0.206 119.895 120.300 -1.017 0.000 2.535 58 Y HA 0.492 5.006 4.550 -0.060 0.000 0.341 58 Y C -0.711 175.058 175.900 -0.218 0.000 1.041 58 Y CA -0.429 57.347 58.100 -0.540 0.000 1.307 58 Y CB 1.217 39.264 38.460 -0.688 0.000 1.095 58 Y HN 0.542 nan 8.280 nan 0.000 0.534 59 S N 6.180 121.853 115.700 -0.045 0.000 2.457 59 S HA 0.674 5.108 4.470 -0.060 0.000 0.289 59 S C -0.753 173.881 174.600 0.058 0.000 1.163 59 S CA -0.595 57.619 58.200 0.023 0.000 1.078 59 S CB 0.549 63.752 63.200 0.004 0.000 0.987 59 S HN 0.590 nan 8.310 nan 0.000 0.482 60 L N 0.872 122.086 121.223 -0.016 0.000 2.257 60 L HA 0.860 5.164 4.340 -0.060 0.000 0.257 60 L C -0.626 176.188 176.870 -0.094 0.000 1.033 60 L CA -1.117 53.669 54.840 -0.090 0.000 0.835 60 L CB 1.135 42.861 42.059 -0.554 0.000 1.398 60 L HN 0.616 nan 8.230 nan 0.000 0.429 61 R N -0.569 119.876 120.500 -0.091 0.000 2.531 61 R HA 0.352 4.656 4.340 -0.060 0.000 0.293 61 R C -2.134 174.171 176.300 0.009 0.000 1.124 61 R CA -0.501 55.594 56.100 -0.007 0.000 0.945 61 R CB 0.288 30.624 30.300 0.061 0.000 1.195 61 R HN 0.736 nan 8.270 nan 0.000 0.433 62 W N 3.671 125.067 121.300 0.159 0.000 2.489 62 W HA 0.098 4.723 4.660 -0.058 0.000 0.327 62 W C 0.982 177.561 176.519 0.099 0.000 1.436 62 W CA -0.411 57.031 57.345 0.162 0.000 1.315 62 W CB 0.324 29.883 29.460 0.165 0.000 1.373 62 W HN 0.566 nan 8.180 nan 0.000 0.557 63 I N 2.416 123.146 120.570 0.266 0.000 2.867 63 I HA -0.075 4.059 4.170 -0.060 0.000 0.265 63 I C 1.396 177.572 176.117 0.098 0.000 1.162 63 I CA 0.925 62.289 61.300 0.107 0.000 1.471 63 I CB -0.373 37.609 38.000 -0.030 0.000 1.123 63 I HN 0.383 nan 8.210 nan 0.000 0.440 64 S N -1.991 113.790 115.700 0.135 0.000 3.359 64 S HA 0.304 4.738 4.470 -0.060 0.000 0.323 64 S C 0.344 175.024 174.600 0.133 0.000 1.143 64 S CA -0.391 57.840 58.200 0.052 0.000 0.989 64 S CB 0.770 63.872 63.200 -0.164 0.000 1.375 64 S HN -0.026 nan 8.310 nan 0.000 0.728 65 D N 0.109 120.560 120.400 0.085 0.000 2.328 65 D HA 0.199 4.803 4.640 -0.060 0.000 0.221 65 D C 0.793 177.346 176.300 0.422 0.000 1.072 65 D CA 0.524 54.656 54.000 0.220 0.000 0.850 65 D CB -0.042 40.919 40.800 0.269 0.000 0.922 65 D HN 0.677 nan 8.370 nan 0.000 0.516 66 H N -2.451 116.807 119.070 0.313 0.000 3.627 66 H HA 0.349 4.869 4.556 -0.060 0.000 0.262 66 H C -0.565 174.865 175.328 0.169 0.000 1.166 66 H CA -0.328 55.857 56.048 0.229 0.000 1.122 66 H CB -0.137 29.743 29.762 0.196 0.000 1.787 66 H HN 0.000 nan 8.280 nan 0.000 0.783 67 E N 1.276 121.557 120.200 0.134 0.000 2.293 67 E HA 0.457 4.771 4.350 -0.060 0.000 0.270 67 E C -1.541 175.130 176.600 0.118 0.000 0.879 67 E CA -1.124 55.278 56.400 0.003 0.000 0.756 67 E CB 2.780 32.396 29.700 -0.141 0.000 1.208 67 E HN 0.310 nan 8.360 nan 0.000 0.428 68 Y N 0.054 120.259 120.300 -0.159 0.000 2.553 68 Y HA 0.643 5.157 4.550 -0.060 0.000 0.347 68 Y C -1.629 174.198 175.900 -0.122 0.000 1.019 68 Y CA -1.415 56.499 58.100 -0.309 0.000 1.032 68 Y CB 0.824 38.717 38.460 -0.945 0.000 1.284 68 Y HN 0.366 nan 8.280 nan 0.000 0.466 69 L N 3.420 124.733 121.223 0.149 0.000 2.343 69 L HA 0.533 4.837 4.340 -0.060 0.000 0.275 69 L C -1.120 175.992 176.870 0.403 0.000 1.056 69 L CA -0.879 54.061 54.840 0.168 0.000 0.804 69 L CB 1.433 43.532 42.059 0.067 0.000 1.203 69 L HN 0.819 nan 8.230 nan 0.000 0.440 70 Y N 2.093 122.552 120.300 0.264 0.000 2.581 70 Y HA 0.417 4.930 4.550 -0.062 0.000 0.337 70 Y C -0.822 175.179 175.900 0.169 0.000 1.108 70 Y CA -1.066 57.159 58.100 0.209 0.000 1.033 70 Y CB 1.833 40.427 38.460 0.222 0.000 1.318 70 Y HN 0.493 nan 8.280 nan 0.000 0.459 76 I N 2.744 123.264 120.570 -0.084 0.000 2.308 76 I HA 0.229 4.363 4.170 -0.060 0.000 0.293 76 I C -0.714 175.406 176.117 0.006 0.000 1.078 76 I CA -0.180 61.095 61.300 -0.042 0.000 1.292 76 I CB 0.323 38.281 38.000 -0.070 0.000 1.423 76 I HN -0.059 nan 8.210 nan 0.000 0.493 77 L N 7.242 128.446 121.223 -0.030 0.000 2.329 77 L HA 0.401 4.705 4.340 -0.060 0.000 0.279 77 L C -0.117 176.619 176.870 -0.223 0.000 1.014 77 L CA -0.564 54.141 54.840 -0.226 0.000 0.814 77 L CB 1.884 43.550 42.059 -0.655 0.000 1.257 77 L HN 0.203 nan 8.230 nan 0.000 0.424 78 V N 3.817 123.584 119.914 -0.244 0.000 2.299 78 V HA 0.204 4.288 4.120 -0.060 0.000 0.255 78 V C -0.140 175.724 176.094 -0.384 0.000 1.100 78 V CA -0.320 61.826 62.300 -0.256 0.000 0.938 78 V CB -0.835 30.872 31.823 -0.194 0.000 1.139 78 V HN 0.380 nan 8.190 nan 0.000 0.490 79 F N 3.115 122.772 119.950 -0.488 0.000 2.506 79 F HA 0.174 4.665 4.527 -0.060 0.000 0.371 79 F C 0.983 176.352 175.800 -0.717 0.000 1.078 79 F CA -0.006 57.612 58.000 -0.638 0.000 1.195 79 F CB 0.214 38.669 39.000 -0.908 0.000 1.099 79 F HN 0.436 nan 8.300 nan 0.000 0.548 80 N N 2.434 120.929 118.700 -0.342 0.000 2.411 80 N HA 0.312 5.017 4.740 -0.060 0.000 0.259 80 N C 0.732 176.023 175.510 -0.366 0.000 1.103 80 N CA 0.107 52.929 53.050 -0.381 0.000 0.954 80 N CB 1.126 39.307 38.487 -0.509 0.000 1.085 80 N HN 0.702 nan 8.380 nan 0.000 0.485 81 A N 3.795 126.422 122.820 -0.323 0.000 1.930 81 A HA -0.156 4.128 4.320 -0.060 0.000 0.217 81 A C 1.709 179.105 177.584 -0.314 0.000 1.175 81 A CA 1.281 53.172 52.037 -0.243 0.000 0.627 81 A CB -0.448 18.438 19.000 -0.190 0.000 0.815 81 A HN 0.872 nan 8.150 nan 0.000 0.443 82 E N -0.744 119.221 120.200 -0.392 0.000 2.000 82 E HA -0.225 4.089 4.350 -0.060 0.000 0.199 82 E C 1.822 178.450 176.600 0.047 0.000 1.011 82 E CA 1.900 58.239 56.400 -0.101 0.000 0.836 82 E CB -0.526 29.228 29.700 0.090 0.000 0.778 82 E HN 0.921 nan 8.360 nan 0.000 0.462 83 Y N -1.867 118.434 120.300 0.002 0.000 2.510 83 Y HA 0.485 5.000 4.550 -0.059 0.000 0.273 83 Y C 1.635 177.537 175.900 0.003 0.000 1.119 83 Y CA -0.003 58.102 58.100 0.009 0.000 1.286 83 Y CB 0.081 38.548 38.460 0.012 0.000 1.061 83 Y HN 0.244 nan 8.280 nan 0.000 0.542 84 G N 0.715 109.469 108.800 -0.076 0.000 2.232 84 G HA2 -0.319 3.605 3.960 -0.060 0.000 0.226 84 G HA3 -0.319 3.605 3.960 -0.060 0.000 0.226 84 G C 0.016 174.905 174.900 -0.017 0.000 0.996 84 G CA -0.144 44.942 45.100 -0.023 0.000 0.626 84 G HN 0.617 nan 8.290 nan 0.000 0.509 85 N N 1.089 119.765 118.700 -0.039 0.000 2.468 85 N HA 0.402 5.106 4.740 -0.060 0.000 0.265 85 N C -0.151 175.283 175.510 -0.128 0.000 1.199 85 N CA 1.032 54.073 53.050 -0.015 0.000 0.928 85 N CB 1.115 39.687 38.487 0.141 0.000 1.059 85 N HN 0.946 nan 8.380 nan 0.000 0.467 86 S N 1.105 116.721 115.700 -0.139 0.000 2.774 86 S HA 0.357 4.791 4.470 -0.060 0.000 0.297 86 S C -0.353 174.090 174.600 -0.261 0.000 1.143 86 S CA -0.929 57.096 58.200 -0.290 0.000 1.090 86 S CB 0.094 62.957 63.200 -0.561 0.000 1.019 86 S HN 0.662 nan 8.310 nan 0.000 0.482 87 S N 2.529 118.112 115.700 -0.194 0.000 2.580 87 S HA 0.557 4.991 4.470 -0.060 0.000 0.274 87 S C 0.231 174.739 174.600 -0.153 0.000 1.329 87 S CA -0.740 57.380 58.200 -0.133 0.000 1.036 87 S CB 0.741 63.901 63.200 -0.066 0.000 0.919 87 S HN 0.723 nan 8.310 nan 0.000 0.515 88 V N 3.475 123.319 119.914 -0.116 0.000 2.555 88 V HA 0.178 4.262 4.120 -0.060 0.000 0.286 88 V C 0.522 176.605 176.094 -0.018 0.000 1.044 88 V CA -0.045 62.198 62.300 -0.094 0.000 1.026 88 V CB 0.458 32.221 31.823 -0.099 0.000 0.981 88 V HN 0.995 nan 8.190 nan 0.000 0.480 89 F N 4.644 124.506 119.950 -0.146 0.000 2.315 89 F HA 0.458 4.948 4.527 -0.061 0.000 0.284 89 F C 0.381 176.117 175.800 -0.105 0.000 1.049 89 F CA 0.428 58.360 58.000 -0.113 0.000 1.323 89 F CB 0.646 39.586 39.000 -0.101 0.000 1.113 89 F HN 0.356 nan 8.300 nan 0.000 0.544 90 L N 1.197 122.395 121.223 -0.041 0.000 2.516 90 L HA 0.359 4.663 4.340 -0.060 0.000 0.267 90 L C -1.176 175.612 176.870 -0.136 0.000 0.957 90 L CA -0.458 54.291 54.840 -0.151 0.000 0.860 90 L CB 1.608 43.617 42.059 -0.083 0.000 1.265 90 L HN -0.064 nan 8.230 nan 0.000 0.403 91 E N 1.325 121.418 120.200 -0.179 0.000 2.373 91 E HA 0.165 4.479 4.350 -0.060 0.000 0.263 91 E C 0.680 177.177 176.600 -0.171 0.000 1.073 91 E CA 0.182 56.485 56.400 -0.161 0.000 0.894 91 E CB 0.519 30.120 29.700 -0.164 0.000 1.008 91 E HN 0.646 nan 8.360 nan 0.000 0.420 92 N N -0.131 118.491 118.700 -0.129 0.000 2.512 92 N HA -0.167 4.537 4.740 -0.060 0.000 0.183 92 N C 0.898 176.337 175.510 -0.117 0.000 1.073 92 N CA 0.965 53.950 53.050 -0.109 0.000 0.911 92 N CB 0.022 38.461 38.487 -0.081 0.000 0.964 92 N HN 0.313 nan 8.380 nan 0.000 0.447 93 S N -1.915 113.695 115.700 -0.149 0.000 2.524 93 S HA 0.047 4.481 4.470 -0.060 0.000 0.216 93 S C 1.500 175.961 174.600 -0.232 0.000 0.987 93 S CA 0.148 58.259 58.200 -0.147 0.000 0.909 93 S CB -0.710 62.418 63.200 -0.120 0.000 0.781 93 S HN 0.225 nan 8.310 nan 0.000 0.521 94 T N 1.799 116.111 114.554 -0.403 0.000 2.737 94 T HA -0.024 4.290 4.350 -0.060 0.000 0.269 94 T C 0.172 174.334 174.700 -0.898 0.000 1.040 94 T CA 1.244 62.889 62.100 -0.758 0.000 1.142 94 T CB -0.488 67.671 68.868 -1.183 0.000 0.861 94 T HN 0.590 nan 8.240 nan 0.000 0.456 95 F N 0.904 120.753 119.950 -0.168 0.000 2.928 95 F HA 0.401 4.892 4.527 -0.061 0.000 0.337 95 F C 0.954 176.738 175.800 -0.027 0.000 1.259 95 F CA -1.259 56.673 58.000 -0.113 0.000 1.267 95 F CB 0.148 38.983 39.000 -0.276 0.000 0.986 95 F HN -0.053 nan 8.300 nan 0.000 0.507 96 D N 0.411 120.844 120.400 0.055 0.000 2.162 96 D HA -0.117 4.487 4.640 -0.060 0.000 0.203 96 D C 1.659 178.004 176.300 0.075 0.000 0.967 96 D CA 1.026 55.055 54.000 0.049 0.000 0.840 96 D CB 0.180 40.975 40.800 -0.008 0.000 0.972 96 D HN 0.433 nan 8.370 nan 0.000 0.482 97 E N -0.553 119.693 120.200 0.077 0.000 2.463 97 E HA -0.029 4.285 4.350 -0.060 0.000 0.191 97 E C 1.244 177.901 176.600 0.095 0.000 1.083 97 E CA -0.277 56.158 56.400 0.058 0.000 0.872 97 E CB -0.145 29.574 29.700 0.031 0.000 0.966 97 E HN 0.138 nan 8.360 nan 0.000 0.491 98 F N -0.181 119.778 119.950 0.015 0.000 2.186 98 F HA -0.005 4.486 4.527 -0.059 0.000 0.299 98 F C 1.792 177.557 175.800 -0.058 0.000 1.090 98 F CA 1.811 59.820 58.000 0.015 0.000 1.307 98 F CB 0.196 39.212 39.000 0.027 0.000 1.019 98 F HN 0.198 nan 8.300 nan 0.000 0.489 99 G N -1.043 107.732 108.800 -0.042 0.000 2.195 99 G HA2 -0.239 3.685 3.960 -0.060 0.000 0.246 99 G HA3 -0.239 3.685 3.960 -0.060 0.000 0.246 99 G C 0.160 174.790 174.900 -0.450 0.000 0.984 99 G CA 0.284 45.206 45.100 -0.296 0.000 0.633 99 G HN 0.536 nan 8.290 nan 0.000 0.525 100 H N -0.305 118.839 119.070 0.124 0.000 2.865 100 H HA 0.619 5.138 4.556 -0.061 0.000 0.372 100 H C -0.512 174.914 175.328 0.163 0.000 1.173 100 H CA -0.004 56.133 56.048 0.149 0.000 1.147 100 H CB 1.721 31.510 29.762 0.046 0.000 1.805 100 H HN 0.165 nan 8.280 nan 0.000 0.553 101 S N 2.117 117.951 115.700 0.224 0.000 2.474 101 S HA 0.180 4.614 4.470 -0.060 0.000 0.276 101 S C 0.185 174.829 174.600 0.073 0.000 1.227 101 S CA -0.841 57.423 58.200 0.108 0.000 1.050 101 S CB -0.464 62.787 63.200 0.085 0.000 0.939 101 S HN 0.321 nan 8.310 nan 0.000 0.490 102 I N 5.793 126.333 120.570 -0.052 0.000 2.322 102 I HA 0.120 4.254 4.170 -0.060 0.000 0.292 102 I C 1.394 177.472 176.117 -0.065 0.000 1.060 102 I CA -0.072 61.157 61.300 -0.119 0.000 1.309 102 I CB 0.175 38.005 38.000 -0.284 0.000 1.415 102 I HN 0.745 nan 8.210 nan 0.000 0.492 103 N N 4.609 123.279 118.700 -0.050 0.000 2.171 103 N HA -0.106 4.598 4.740 -0.060 0.000 0.184 103 N C 0.183 175.625 175.510 -0.113 0.000 1.021 103 N CA 1.465 54.445 53.050 -0.116 0.000 0.854 103 N CB 0.383 38.761 38.487 -0.181 0.000 0.994 103 N HN 0.686 nan 8.380 nan 0.000 0.426 104 D N -2.905 117.459 120.400 -0.060 0.000 2.639 104 D HA 0.210 4.814 4.640 -0.060 0.000 0.271 104 D C -1.657 174.686 176.300 0.072 0.000 1.254 104 D CA -0.549 53.442 54.000 -0.016 0.000 0.810 104 D CB 0.858 41.618 40.800 -0.067 0.000 1.351 104 D HN 0.092 nan 8.370 nan 0.000 0.427 105 Y N -1.178 119.121 120.300 -0.001 0.000 2.581 105 Y HA 0.770 5.282 4.550 -0.062 0.000 0.345 105 Y C -1.224 174.747 175.900 0.117 0.000 1.036 105 Y CA -0.946 57.173 58.100 0.033 0.000 1.042 105 Y CB 1.869 40.329 38.460 0.000 0.000 1.289 105 Y HN 0.139 nan 8.280 nan 0.000 0.471 106 S N 3.411 119.260 115.700 0.249 0.000 2.720 106 S HA 0.588 5.022 4.470 -0.060 0.000 0.278 106 S C -1.514 173.387 174.600 0.502 0.000 1.172 106 S CA -0.710 57.656 58.200 0.276 0.000 1.019 106 S CB 0.196 63.587 63.200 0.319 0.000 1.049 106 S HN 0.621 nan 8.310 nan 0.000 0.483 107 I N 4.535 125.295 120.570 0.317 0.000 2.428 107 I HA 0.283 4.417 4.170 -0.060 0.000 0.289 107 I C 1.151 177.077 176.117 -0.318 0.000 1.019 107 I CA -0.394 60.986 61.300 0.133 0.000 1.351 107 I CB 1.108 39.184 38.000 0.127 0.000 1.412 107 I HN 0.786 nan 8.210 nan 0.000 0.513 108 S N 6.316 121.526 115.700 -0.816 0.000 2.568 108 S HA 0.168 4.602 4.470 -0.060 0.000 0.282 108 S C -1.763 172.535 174.600 -0.504 0.000 1.338 108 S CA -0.844 56.553 58.200 -1.338 0.000 1.045 108 S CB 0.634 63.008 63.200 -1.377 0.000 0.873 108 S HN 0.439 nan 8.310 nan 0.000 0.516 109 P HA -0.161 nan 4.420 nan 0.000 0.217 109 P C 0.924 178.161 177.300 -0.104 0.000 1.148 109 P CA 1.581 64.590 63.100 -0.151 0.000 0.828 109 P CB -0.123 31.512 31.700 -0.107 0.000 0.783 110 D N -1.929 118.413 120.400 -0.097 0.000 2.347 110 D HA 0.039 4.643 4.640 -0.060 0.000 0.213 110 D C 1.383 177.670 176.300 -0.022 0.000 0.985 110 D CA 0.886 54.869 54.000 -0.029 0.000 0.879 110 D CB -1.122 39.699 40.800 0.034 0.000 0.919 110 D HN 0.212 nan 8.370 nan 0.000 0.526 111 G N 0.544 109.313 108.800 -0.053 0.000 2.160 111 G HA2 -0.357 3.567 3.960 -0.060 0.000 0.251 111 G HA3 -0.357 3.567 3.960 -0.060 0.000 0.251 111 G C 0.785 175.691 174.900 0.010 0.000 1.008 111 G CA 0.523 45.644 45.100 0.035 0.000 0.724 111 G HN 0.468 nan 8.290 nan 0.000 0.514 112 Q N -1.722 117.997 119.800 -0.134 0.000 2.391 112 Q HA 0.400 4.704 4.340 -0.060 0.000 0.211 112 Q C 0.196 175.713 176.000 -0.806 0.000 0.908 112 Q CA 0.610 56.140 55.803 -0.454 0.000 0.920 112 Q CB 0.570 28.979 28.738 -0.548 0.000 1.056 112 Q HN 0.573 nan 8.270 nan 0.000 0.523 113 F N -0.318 119.590 119.950 -0.070 0.000 2.613 113 F HA 0.515 5.005 4.527 -0.061 0.000 0.314 113 F C -0.656 175.214 175.800 0.117 0.000 1.075 113 F CA -1.203 56.816 58.000 0.031 0.000 0.945 113 F CB 1.818 40.863 39.000 0.076 0.000 1.310 113 F HN -0.215 nan 8.300 nan 0.000 0.467 114 I N 2.862 123.743 120.570 0.518 0.000 2.498 114 I HA 0.521 4.655 4.170 -0.060 0.000 0.290 114 I C -1.835 174.600 176.117 0.530 0.000 1.032 114 I CA -1.051 60.551 61.300 0.503 0.000 1.073 114 I CB 1.552 39.800 38.000 0.412 0.000 1.251 114 I HN 0.559 nan 8.210 nan 0.000 0.426 115 L N 8.235 129.804 121.223 0.575 0.000 2.276 115 L HA 0.501 4.805 4.340 -0.060 0.000 0.286 115 L C -1.270 175.745 176.870 0.241 0.000 1.061 115 L CA 0.007 55.068 54.840 0.368 0.000 0.807 115 L CB 1.067 43.274 42.059 0.246 0.000 1.177 115 L HN 0.510 nan 8.230 nan 0.000 0.429 116 L N 5.128 126.439 121.223 0.148 0.000 2.305 116 L HA 0.490 4.794 4.340 -0.060 0.000 0.284 116 L C -0.167 176.756 176.870 0.090 0.000 1.013 116 L CA -0.429 54.405 54.840 -0.010 0.000 0.819 116 L CB 1.511 43.358 42.059 -0.354 0.000 1.227 116 L HN 0.608 nan 8.230 nan 0.000 0.417 117 E N 4.189 124.399 120.200 0.017 0.000 2.115 117 E HA 0.384 4.698 4.350 -0.060 0.000 0.282 117 E C -1.505 175.046 176.600 -0.081 0.000 0.987 117 E CA -0.498 55.791 56.400 -0.185 0.000 0.797 117 E CB 0.824 30.493 29.700 -0.052 0.000 1.086 117 E HN 0.458 nan 8.360 nan 0.000 0.397 118 Y N 1.872 121.994 120.300 -0.296 0.000 2.705 118 Y HA 0.447 4.960 4.550 -0.062 0.000 0.332 118 Y C -0.038 175.790 175.900 -0.121 0.000 1.157 118 Y CA -1.638 56.377 58.100 -0.143 0.000 1.091 118 Y CB 0.447 38.879 38.460 -0.046 0.000 1.301 118 Y HN 0.454 nan 8.280 nan 0.000 0.488 119 N N -0.300 118.432 118.700 0.055 0.000 2.710 119 N HA -0.314 4.390 4.740 -0.060 0.000 0.249 119 N C -0.979 174.518 175.510 -0.022 0.000 1.059 119 N CA 1.087 54.132 53.050 -0.007 0.000 0.720 119 N CB -1.601 36.805 38.487 -0.134 0.000 0.983 119 N HN 0.853 nan 8.380 nan 0.000 0.544 120 Y N 0.295 120.540 120.300 -0.092 0.000 2.677 120 Y HA 0.235 4.750 4.550 -0.058 0.000 0.335 120 Y C -0.034 175.842 175.900 -0.040 0.000 1.162 120 Y CA -0.073 57.978 58.100 -0.083 0.000 1.483 120 Y CB 0.584 38.950 38.460 -0.157 0.000 1.209 120 Y HN 0.001 nan 8.280 nan 0.000 0.528 121 V N 8.184 127.806 119.914 -0.487 0.000 2.376 121 V HA 0.204 4.288 4.120 -0.060 0.000 0.287 121 V C -0.104 175.599 176.094 -0.651 0.000 1.015 121 V CA -1.410 60.608 62.300 -0.470 0.000 0.834 121 V CB 1.231 32.922 31.823 -0.219 0.000 1.001 121 V HN 0.715 nan 8.190 nan 0.000 0.428 122 K N 3.692 123.671 120.400 -0.702 0.000 2.448 122 K HA 0.154 4.438 4.320 -0.060 0.000 0.278 122 K C 0.408 176.830 176.600 -0.296 0.000 1.009 122 K CA 0.248 56.281 56.287 -0.424 0.000 0.995 122 K CB 0.943 33.373 32.500 -0.117 0.000 0.917 122 K HN 0.818 nan 8.250 nan 0.000 0.481 123 Q N 2.899 122.514 119.800 -0.308 0.000 2.729 123 Q HA 0.149 4.453 4.340 -0.060 0.000 0.228 123 Q C 0.074 175.834 176.000 -0.400 0.000 1.021 123 Q CA -0.236 55.205 55.803 -0.603 0.000 0.561 123 Q CB 0.078 28.303 28.738 -0.854 0.000 3.921 123 Q HN 0.702 nan 8.270 nan 0.000 0.430 124 W N 0.234 121.525 121.300 -0.015 0.000 1.836 124 W HA 0.354 4.977 4.660 -0.062 0.000 0.628 124 W C 1.819 178.318 176.519 -0.034 0.000 1.626 124 W CA -0.710 56.647 57.345 0.020 0.000 1.714 124 W CB -0.167 29.276 29.460 -0.029 0.000 3.166 124 W HN 0.285 nan 8.180 nan 0.000 0.772 125 R N -0.567 120.013 120.500 0.134 0.000 2.092 125 R HA -0.138 4.166 4.340 -0.060 0.000 0.231 125 R C 1.694 177.830 176.300 -0.272 0.000 1.119 125 R CA 1.704 57.715 56.100 -0.148 0.000 0.970 125 R CB -0.366 29.706 30.300 -0.379 0.000 0.864 125 R HN 0.518 nan 8.270 nan 0.000 0.440 126 H N -1.251 117.896 119.070 0.129 0.000 2.695 126 H HA 0.153 4.673 4.556 -0.059 0.000 0.267 126 H C 0.632 176.076 175.328 0.193 0.000 0.973 126 H CA 0.467 56.619 56.048 0.172 0.000 1.223 126 H CB 0.251 30.091 29.762 0.130 0.000 1.442 126 H HN 0.131 nan 8.280 nan 0.000 0.478 127 S N 1.335 117.052 115.700 0.027 0.000 2.576 127 S HA 0.383 4.817 4.470 -0.060 0.000 0.276 127 S C -0.271 174.237 174.600 -0.155 0.000 1.339 127 S CA -0.506 57.408 58.200 -0.477 0.000 1.039 127 S CB 0.676 63.069 63.200 -1.346 0.000 0.902 127 S HN 0.458 nan 8.310 nan 0.000 0.516 128 Y N -2.276 117.883 120.300 -0.236 0.000 2.750 128 Y HA 0.724 5.241 4.550 -0.055 0.000 0.335 128 Y C -0.882 174.999 175.900 -0.033 0.000 1.252 128 Y CA -1.232 56.748 58.100 -0.200 0.000 1.064 128 Y CB 0.774 39.106 38.460 -0.213 0.000 1.321 128 Y HN 0.578 nan 8.280 nan 0.000 0.451 129 T N 1.359 115.953 114.554 0.067 0.000 2.887 129 T HA 0.911 5.226 4.350 -0.060 0.000 0.288 129 T C -1.018 173.741 174.700 0.098 0.000 1.021 129 T CA -0.018 62.120 62.100 0.063 0.000 1.000 129 T CB 1.372 70.225 68.868 -0.025 0.000 1.034 129 T HN 1.149 nan 8.240 nan 0.000 0.467 130 A N 1.672 124.527 122.820 0.059 0.000 2.610 130 A HA 0.777 5.061 4.320 -0.060 0.000 0.291 130 A C -0.728 176.630 177.584 -0.377 0.000 1.086 130 A CA -0.797 51.133 52.037 -0.178 0.000 0.677 130 A CB 1.253 20.106 19.000 -0.245 0.000 1.278 130 A HN 0.659 nan 8.150 nan 0.000 0.414 131 S N -0.416 114.860 115.700 -0.705 0.000 2.616 131 S HA 0.767 5.201 4.470 -0.060 0.000 0.277 131 S C -1.354 172.602 174.600 -1.073 0.000 1.234 131 S CA -0.006 57.691 58.200 -0.839 0.000 1.028 131 S CB 0.479 62.903 63.200 -1.293 0.000 0.988 131 S HN 0.452 nan 8.310 nan 0.000 0.522 132 Y N -0.006 120.056 120.300 -0.396 0.000 2.457 132 Y HA 0.453 4.968 4.550 -0.059 0.000 0.343 132 Y C -0.334 175.580 175.900 0.023 0.000 0.994 132 Y CA -0.960 57.047 58.100 -0.156 0.000 1.031 132 Y CB 1.701 40.033 38.460 -0.213 0.000 1.246 132 Y HN 0.495 nan 8.280 nan 0.000 0.449 133 D N 2.531 123.139 120.400 0.347 0.000 2.433 133 D HA 0.581 5.185 4.640 -0.060 0.000 0.236 133 D C -0.856 175.584 176.300 0.233 0.000 1.026 133 D CA -0.334 53.844 54.000 0.298 0.000 0.884 133 D CB 2.649 43.716 40.800 0.445 0.000 1.384 133 D HN 0.403 nan 8.370 nan 0.000 0.477 134 I N 1.562 122.255 120.570 0.206 0.000 2.404 134 I HA 0.270 4.404 4.170 -0.060 0.000 0.293 134 I C -1.008 175.320 176.117 0.352 0.000 0.992 134 I CA -0.966 60.486 61.300 0.254 0.000 1.149 134 I CB 1.582 39.671 38.000 0.148 0.000 1.315 134 I HN 0.216 nan 8.210 nan 0.000 0.446 135 Y N 5.294 125.766 120.300 0.288 0.000 2.328 135 Y HA 0.297 4.812 4.550 -0.058 0.000 0.336 135 Y C -0.278 175.822 175.900 0.333 0.000 0.960 135 Y CA -0.763 57.517 58.100 0.298 0.000 1.134 135 Y CB 1.157 39.815 38.460 0.329 0.000 1.166 135 Y HN 0.491 nan 8.280 nan 0.000 0.464 136 D N 6.255 126.605 120.400 -0.083 0.000 2.338 136 D HA 0.065 4.669 4.640 -0.060 0.000 0.255 136 D C 0.739 176.811 176.300 -0.379 0.000 1.237 136 D CA 0.438 54.355 54.000 -0.138 0.000 0.883 136 D CB 1.036 41.789 40.800 -0.078 0.000 1.087 136 D HN 0.879 nan 8.370 nan 0.000 0.485 137 L N 3.808 124.871 121.223 -0.266 0.000 2.156 137 L HA -0.144 4.160 4.340 -0.060 0.000 0.208 137 L C 1.683 178.421 176.870 -0.221 0.000 1.095 137 L CA 0.671 55.416 54.840 -0.159 0.000 0.770 137 L CB -0.164 41.814 42.059 -0.136 0.000 0.914 137 L HN 0.311 nan 8.230 nan 0.000 0.439 138 N N -0.471 118.060 118.700 -0.282 0.000 2.416 138 N HA -0.104 4.600 4.740 -0.060 0.000 0.177 138 N C 1.541 176.945 175.510 -0.177 0.000 1.036 138 N CA 0.795 53.717 53.050 -0.214 0.000 0.901 138 N CB 0.069 38.426 38.487 -0.216 0.000 0.976 138 N HN 0.216 nan 8.380 nan 0.000 0.444 139 K N 0.387 120.664 120.400 -0.206 0.000 2.360 139 K HA 0.205 4.490 4.320 -0.060 0.000 0.196 139 K C -0.231 176.256 176.600 -0.189 0.000 1.049 139 K CA -0.145 56.044 56.287 -0.164 0.000 1.049 139 K CB 0.727 33.143 32.500 -0.140 0.000 0.881 139 K HN -0.096 nan 8.250 nan 0.000 0.542 140 R N 1.721 122.060 120.500 -0.268 0.000 3.267 140 R HA -0.175 4.129 4.340 -0.060 0.000 0.254 140 R C -1.524 174.593 176.300 -0.305 0.000 0.993 140 R CA 1.091 57.046 56.100 -0.240 0.000 0.670 140 R CB -1.501 28.759 30.300 -0.067 0.000 1.125 140 R HN 0.527 nan 8.270 nan 0.000 0.434 141 Q N -0.538 118.855 119.800 -0.678 0.000 2.647 141 Q HA 0.314 4.618 4.340 -0.060 0.000 0.283 141 Q C -1.192 174.627 176.000 -0.301 0.000 0.943 141 Q CA -1.225 54.377 55.803 -0.335 0.000 0.813 141 Q CB 0.924 29.606 28.738 -0.093 0.000 1.477 141 Q HN 0.048 nan 8.270 nan 0.000 0.393 142 L N 1.598 122.895 121.223 0.124 0.000 2.453 142 L HA 0.188 4.492 4.340 -0.060 0.000 0.272 142 L C -0.144 176.790 176.870 0.105 0.000 1.182 142 L CA 0.113 55.094 54.840 0.235 0.000 0.858 142 L CB 0.165 42.406 42.059 0.303 0.000 1.120 142 L HN 0.540 nan 8.230 nan 0.000 0.474 143 I N 2.293 122.930 120.570 0.112 0.000 2.517 143 I HA 0.008 4.142 4.170 -0.060 0.000 0.285 143 I C 1.350 177.494 176.117 0.044 0.000 1.106 143 I CA 0.675 62.012 61.300 0.061 0.000 1.402 143 I CB 0.996 39.024 38.000 0.047 0.000 1.399 143 I HN 0.809 nan 8.210 nan 0.000 0.535 144 T N 1.372 115.936 114.554 0.018 0.000 2.990 144 T HA 0.148 4.462 4.350 -0.060 0.000 0.250 144 T C 0.479 175.166 174.700 -0.022 0.000 1.041 144 T CA -0.342 61.759 62.100 0.002 0.000 1.010 144 T CB -0.061 68.808 68.868 0.001 0.000 1.003 144 T HN 0.547 nan 8.240 nan 0.000 0.499 145 E N 2.396 122.581 120.200 -0.025 0.000 2.249 145 E HA 0.177 4.491 4.350 -0.060 0.000 0.280 145 E C -0.609 175.954 176.600 -0.062 0.000 1.016 145 E CA -0.479 55.897 56.400 -0.041 0.000 0.830 145 E CB 0.627 30.308 29.700 -0.032 0.000 1.081 145 E HN 0.277 nan 8.360 nan 0.000 0.395 146 E N 1.175 121.326 120.200 -0.081 0.000 2.252 146 E HA -0.234 4.080 4.350 -0.060 0.000 0.218 146 E C -0.594 175.921 176.600 -0.141 0.000 1.253 146 E CA 0.615 56.948 56.400 -0.112 0.000 0.705 146 E CB -1.589 28.052 29.700 -0.100 0.000 1.172 146 E HN 0.558 nan 8.360 nan 0.000 0.369 147 R N 0.024 120.437 120.500 -0.144 0.000 2.679 147 R HA 0.256 4.560 4.340 -0.060 0.000 0.268 147 R C 1.167 177.297 176.300 -0.285 0.000 1.044 147 R CA -0.216 55.786 56.100 -0.164 0.000 1.105 147 R CB 0.444 30.674 30.300 -0.117 0.000 0.989 147 R HN 0.196 nan 8.270 nan 0.000 0.447 148 I N 5.326 125.691 120.570 -0.342 0.000 2.668 148 I HA 0.002 4.136 4.170 -0.060 0.000 0.285 148 I C -1.450 174.369 176.117 -0.495 0.000 1.168 148 I CA -1.353 59.590 61.300 -0.594 0.000 1.424 148 I CB 0.235 37.871 38.000 -0.607 0.000 1.377 148 I HN 0.377 nan 8.210 nan 0.000 0.560 149 P HA 0.037 nan 4.420 nan 0.000 0.270 149 P C -0.724 176.372 177.300 -0.340 0.000 1.223 149 P CA -0.329 62.406 63.100 -0.609 0.000 0.785 149 P CB 0.439 31.404 31.700 -1.224 0.000 0.923 150 N N 1.141 119.723 118.700 -0.196 0.000 2.415 150 N HA -0.025 4.679 4.740 -0.060 0.000 0.248 150 N C 0.374 175.960 175.510 0.127 0.000 1.271 150 N CA 0.280 53.289 53.050 -0.068 0.000 0.913 150 N CB -0.751 37.712 38.487 -0.039 0.000 1.129 150 N HN 0.421 nan 8.380 nan 0.000 0.444 151 N N -1.855 116.899 118.700 0.091 0.000 2.754 151 N HA -0.167 4.537 4.740 -0.060 0.000 0.248 151 N C -1.044 174.633 175.510 0.278 0.000 1.093 151 N CA 0.606 53.748 53.050 0.152 0.000 0.699 151 N CB -1.397 37.180 38.487 0.151 0.000 1.016 151 N HN 0.442 nan 8.380 nan 0.000 0.552 152 T N 0.292 115.008 114.554 0.271 0.000 2.884 152 T HA 0.090 4.404 4.350 -0.060 0.000 0.298 152 T C 1.443 176.297 174.700 0.258 0.000 0.998 152 T CA -0.039 62.251 62.100 0.317 0.000 1.124 152 T CB 1.262 70.240 68.868 0.184 0.000 0.931 152 T HN 0.187 nan 8.240 nan 0.000 0.531 153 Q N 1.710 121.650 119.800 0.234 0.000 2.250 153 Q HA 0.150 4.454 4.340 -0.060 0.000 0.200 153 Q C 0.116 176.281 176.000 0.275 0.000 0.941 153 Q CA 0.462 56.419 55.803 0.258 0.000 0.872 153 Q CB 0.734 29.593 28.738 0.202 0.000 0.965 153 Q HN 0.691 nan 8.270 nan 0.000 0.480 154 W N -0.065 121.189 121.300 -0.076 0.000 3.571 154 W HA 0.428 5.051 4.660 -0.062 0.000 0.294 154 W C -2.316 174.091 176.519 -0.186 0.000 1.257 154 W CA -0.598 56.648 57.345 -0.165 0.000 1.206 154 W CB 1.166 30.469 29.460 -0.261 0.000 1.325 154 W HN -0.367 nan 8.180 nan 0.000 0.546 155 V N 3.431 122.638 119.914 -1.178 0.000 2.789 155 V HA 0.707 4.792 4.120 -0.060 0.000 0.311 155 V C -0.437 175.058 176.094 -0.999 0.000 1.073 155 V CA -0.647 61.094 62.300 -0.932 0.000 0.921 155 V CB 1.812 32.972 31.823 -1.104 0.000 1.009 155 V HN 0.479 nan 8.190 nan 0.000 0.426 156 T N 3.026 117.309 114.554 -0.451 0.000 3.172 156 T HA 0.484 4.798 4.350 -0.060 0.000 0.320 156 T C -1.296 173.442 174.700 0.064 0.000 1.085 156 T CA -0.336 61.693 62.100 -0.118 0.000 1.052 156 T CB 0.629 69.683 68.868 0.309 0.000 1.107 156 T HN 0.518 nan 8.240 nan 0.000 0.458 157 W N 3.471 124.818 121.300 0.079 0.000 2.112 157 W HA 0.416 5.039 4.660 -0.061 0.000 0.349 157 W C 1.321 177.658 176.519 -0.303 0.000 1.289 157 W CA -0.585 56.738 57.345 -0.037 0.000 1.256 157 W CB 0.500 29.936 29.460 -0.040 0.000 1.148 157 W HN 0.780 nan 8.180 nan 0.000 0.590 158 S N 1.335 116.700 115.700 -0.560 0.000 2.589 158 S HA 0.132 4.566 4.470 -0.060 0.000 0.265 158 S C -1.815 172.501 174.600 -0.473 0.000 1.342 158 S CA -0.968 56.405 58.200 -1.379 0.000 1.005 158 S CB 0.780 63.126 63.200 -1.424 0.000 0.909 158 S HN 0.289 nan 8.310 nan 0.000 0.555 159 P HA 0.059 nan 4.420 nan 0.000 0.223 159 P C 0.248 177.490 177.300 -0.096 0.000 1.151 159 P CA 0.621 63.667 63.100 -0.090 0.000 0.787 159 P CB -0.200 31.493 31.700 -0.012 0.000 0.788 160 V N -6.221 113.595 119.914 -0.163 0.000 3.001 160 V HA 0.893 4.977 4.120 -0.060 0.000 0.314 160 V C 0.520 176.508 176.094 -0.177 0.000 1.099 160 V CA -0.351 61.871 62.300 -0.130 0.000 0.989 160 V CB 0.950 32.713 31.823 -0.099 0.000 1.040 160 V HN 0.400 nan 8.190 nan 0.000 0.434 161 G N 2.257 110.970 108.800 -0.146 0.000 2.547 161 G HA2 -0.205 3.719 3.960 -0.060 0.000 0.271 161 G HA3 -0.205 3.719 3.960 -0.060 0.000 0.271 161 G C 0.225 175.044 174.900 -0.136 0.000 1.209 161 G CA 0.734 45.713 45.100 -0.201 0.000 0.959 161 G HN 2.504 nan 8.290 nan 0.000 0.563 162 H N -0.614 118.466 119.070 0.018 0.000 2.907 162 H HA 0.437 4.957 4.556 -0.060 0.000 0.233 162 H C 0.317 175.792 175.328 0.245 0.000 1.285 162 H CA -0.224 55.904 56.048 0.133 0.000 0.981 162 H CB -0.096 29.785 29.762 0.199 0.000 2.255 162 H HN 0.488 nan 8.280 nan 0.000 0.601 163 K N 1.310 121.766 120.400 0.093 0.000 2.258 163 K HA 0.311 4.595 4.320 -0.060 0.000 0.264 163 K C -0.804 175.902 176.600 0.176 0.000 1.007 163 K CA -0.589 55.746 56.287 0.079 0.000 0.941 163 K CB 1.252 33.659 32.500 -0.154 0.000 0.966 163 K HN 0.020 nan 8.250 nan 0.000 0.480 164 L N 1.295 122.655 121.223 0.229 0.000 2.410 164 L HA 0.486 4.790 4.340 -0.060 0.000 0.270 164 L C -1.378 175.678 176.870 0.311 0.000 0.983 164 L CA -0.279 54.651 54.840 0.150 0.000 0.822 164 L CB 1.756 43.776 42.059 -0.066 0.000 1.285 164 L HN 0.766 nan 8.230 nan 0.000 0.409 165 A N 4.200 127.212 122.820 0.321 0.000 2.343 165 A HA 0.813 5.097 4.320 -0.060 0.000 0.316 165 A C -1.725 175.882 177.584 0.039 0.000 1.104 165 A CA -0.388 51.717 52.037 0.115 0.000 0.768 165 A CB 0.966 19.948 19.000 -0.030 0.000 1.213 165 A HN 0.716 nan 8.150 nan 0.000 0.456 166 Y N -0.291 119.965 120.300 -0.073 0.000 2.562 166 Y HA 0.733 5.247 4.550 -0.060 0.000 0.345 166 Y C -1.230 174.683 175.900 0.020 0.000 1.045 166 Y CA -1.577 56.460 58.100 -0.105 0.000 1.028 166 Y CB 1.099 39.428 38.460 -0.217 0.000 1.297 166 Y HN 0.372 nan 8.280 nan 0.000 0.463 167 V N 2.772 122.815 119.914 0.214 0.000 2.417 167 V HA 0.368 4.452 4.120 -0.060 0.000 0.291 167 V C -1.331 174.978 176.094 0.359 0.000 1.024 167 V CA -0.599 61.805 62.300 0.172 0.000 0.861 167 V CB 1.163 32.997 31.823 0.018 0.000 0.985 167 V HN 0.889 nan 8.190 nan 0.000 0.436 168 W N 5.017 126.427 121.300 0.184 0.000 3.042 168 W HA 0.453 5.077 4.660 -0.061 0.000 0.337 168 W C 0.270 176.850 176.519 0.103 0.000 1.086 168 W CA -0.680 56.743 57.345 0.130 0.000 1.236 168 W CB 1.227 30.737 29.460 0.084 0.000 1.381 168 W HN 0.781 nan 8.180 nan 0.000 0.472 169 N N 5.648 123.939 118.700 -0.683 0.000 2.721 169 N HA -0.354 4.350 4.740 -0.060 0.000 0.249 169 N C 0.171 175.497 175.510 -0.307 0.000 1.072 169 N CA 1.073 53.728 53.050 -0.658 0.000 0.710 169 N CB -1.069 36.782 38.487 -1.060 0.000 0.993 169 N HN 0.843 nan 8.380 nan 0.000 0.547 170 N N -1.987 116.599 118.700 -0.190 0.000 2.909 170 N HA -0.158 4.546 4.740 -0.060 0.000 0.242 170 N C -1.314 174.115 175.510 -0.135 0.000 0.975 170 N CA 1.059 54.019 53.050 -0.151 0.000 0.921 170 N CB -0.350 38.001 38.487 -0.226 0.000 1.112 170 N HN 0.419 nan 8.380 nan 0.000 0.581 171 D N 0.570 120.903 120.400 -0.111 0.000 2.340 171 D HA 0.500 5.104 4.640 -0.060 0.000 0.240 171 D C 0.108 176.252 176.300 -0.261 0.000 1.001 171 D CA -0.356 53.506 54.000 -0.230 0.000 0.888 171 D CB 1.670 42.281 40.800 -0.315 0.000 1.310 171 D HN 0.037 nan 8.370 nan 0.000 0.474 172 I N 1.674 121.936 120.570 -0.514 0.000 2.396 172 I HA 0.250 4.384 4.170 -0.060 0.000 0.292 172 I C -0.624 175.041 176.117 -0.753 0.000 0.999 172 I CA -0.445 60.536 61.300 -0.532 0.000 1.310 172 I CB 0.551 38.163 38.000 -0.646 0.000 1.404 172 I HN 0.154 nan 8.210 nan 0.000 0.496 173 Y N 4.155 124.072 120.300 -0.639 0.000 2.499 173 Y HA 0.641 5.155 4.550 -0.060 0.000 0.347 173 Y C -0.400 175.128 175.900 -0.620 0.000 0.987 173 Y CA -0.985 56.678 58.100 -0.727 0.000 1.044 173 Y CB 2.200 39.945 38.460 -1.193 0.000 1.245 173 Y HN 0.123 nan 8.280 nan 0.000 0.461 174 V N 3.051 122.886 119.914 -0.130 0.000 2.531 174 V HA 0.414 4.498 4.120 -0.060 0.000 0.301 174 V C -0.824 175.383 176.094 0.187 0.000 1.034 174 V CA -1.348 60.979 62.300 0.045 0.000 0.865 174 V CB 1.856 33.734 31.823 0.091 0.000 0.995 174 V HN 0.629 nan 8.190 nan 0.000 0.424 175 K N 4.366 124.882 120.400 0.193 0.000 2.307 175 K HA 0.504 4.788 4.320 -0.060 0.000 0.263 175 K C 0.397 177.122 176.600 0.209 0.000 0.973 175 K CA -0.721 55.672 56.287 0.176 0.000 0.846 175 K CB 1.731 34.300 32.500 0.116 0.000 1.100 175 K HN 0.441 nan 8.250 nan 0.000 0.438 176 I N 1.303 122.014 120.570 0.235 0.000 2.406 176 I HA -0.058 4.076 4.170 -0.060 0.000 0.249 176 I C 0.447 176.679 176.117 0.193 0.000 1.122 176 I CA 1.425 62.851 61.300 0.210 0.000 1.431 176 I CB -0.247 37.893 38.000 0.234 0.000 1.087 176 I HN 0.567 nan 8.210 nan 0.000 0.424 177 E N 0.092 120.381 120.200 0.147 0.000 2.266 177 E HA 0.276 4.590 4.350 -0.060 0.000 0.268 177 E C -1.889 174.684 176.600 -0.045 0.000 0.879 177 E CA -1.882 54.575 56.400 0.095 0.000 0.762 177 E CB 2.001 31.754 29.700 0.088 0.000 1.199 177 E HN -0.132 nan 8.360 nan 0.000 0.422 178 P HA -0.149 nan 4.420 nan 0.000 0.219 178 P C 0.645 177.849 177.300 -0.161 0.000 1.146 178 P CA 1.368 64.308 63.100 -0.266 0.000 0.808 178 P CB 0.139 31.480 31.700 -0.598 0.000 0.779 179 N N -1.952 116.671 118.700 -0.128 0.000 2.270 179 N HA 0.082 4.786 4.740 -0.060 0.000 0.198 179 N C 0.226 175.705 175.510 -0.051 0.000 1.117 179 N CA -0.049 52.961 53.050 -0.067 0.000 0.845 179 N CB -0.269 38.199 38.487 -0.032 0.000 0.980 179 N HN 0.064 nan 8.380 nan 0.000 0.486 180 L N -0.195 120.997 121.223 -0.051 0.000 2.332 180 L HA 0.587 4.891 4.340 -0.060 0.000 0.269 180 L C -2.236 174.581 176.870 -0.088 0.000 1.016 180 L CA -2.724 52.084 54.840 -0.053 0.000 0.809 180 L CB 1.308 43.351 42.059 -0.027 0.000 1.280 180 L HN -0.106 nan 8.230 nan 0.000 0.447 181 P HA 0.041 nan 4.420 nan 0.000 0.269 181 P C -0.891 176.268 177.300 -0.235 0.000 1.209 181 P CA -0.320 62.682 63.100 -0.163 0.000 0.776 181 P CB 0.664 32.259 31.700 -0.176 0.000 0.876 182 S N 1.825 117.436 115.700 -0.149 0.000 2.610 182 S HA 0.403 4.837 4.470 -0.060 0.000 0.273 182 S C -0.775 173.730 174.600 -0.157 0.000 1.274 182 S CA -0.439 57.707 58.200 -0.091 0.000 1.023 182 S CB 0.126 63.382 63.200 0.093 0.000 0.962 182 S HN 0.233 nan 8.310 nan 0.000 0.523 183 Y N 0.739 121.067 120.300 0.045 0.000 2.341 183 Y HA 0.416 4.930 4.550 -0.060 0.000 0.340 183 Y C 0.926 176.765 175.900 -0.101 0.000 0.997 183 Y CA -0.668 57.438 58.100 0.011 0.000 1.149 183 Y CB 0.898 39.361 38.460 0.006 0.000 1.171 183 Y HN 0.676 nan 8.280 nan 0.000 0.494 184 R N 4.145 124.623 120.500 -0.038 0.000 2.248 184 R HA 0.201 4.505 4.340 -0.060 0.000 0.328 184 R C 0.247 176.304 176.300 -0.406 0.000 1.067 184 R CA -0.083 55.679 56.100 -0.562 0.000 0.924 184 R CB 0.200 29.992 30.300 -0.846 0.000 1.013 184 R HN 0.765 nan 8.270 nan 0.000 0.454 185 I N 2.342 122.601 120.570 -0.518 0.000 2.494 185 I HA -0.052 4.082 4.170 -0.060 0.000 0.250 185 I C 1.158 177.096 176.117 -0.298 0.000 1.112 185 I CA 1.051 62.161 61.300 -0.317 0.000 1.438 185 I CB -0.736 37.035 38.000 -0.382 0.000 1.111 185 I HN 0.612 nan 8.210 nan 0.000 0.431 186 T N -3.856 110.380 114.554 -0.531 0.000 2.908 186 T HA 0.397 4.711 4.350 -0.060 0.000 0.290 186 T C -0.556 173.858 174.700 -0.476 0.000 1.034 186 T CA -0.524 61.361 62.100 -0.359 0.000 1.010 186 T CB 1.979 70.613 68.868 -0.390 0.000 1.068 186 T HN 0.194 nan 8.240 nan 0.000 0.481 187 W N 0.428 121.619 121.300 -0.182 0.000 2.518 187 W HA 0.241 4.866 4.660 -0.059 0.000 0.352 187 W C 1.731 178.197 176.519 -0.088 0.000 0.952 187 W CA -0.169 57.105 57.345 -0.118 0.000 1.624 187 W CB 0.488 29.898 29.460 -0.083 0.000 1.135 187 W HN 0.925 nan 8.180 nan 0.000 0.540 188 T N -2.969 111.620 114.554 0.058 0.000 3.092 188 T HA 0.327 4.641 4.350 -0.060 0.000 0.258 188 T C 1.053 175.743 174.700 -0.017 0.000 1.031 188 T CA 0.007 62.127 62.100 0.033 0.000 0.925 188 T CB 0.008 68.893 68.868 0.027 0.000 1.036 188 T HN -0.018 nan 8.240 nan 0.000 0.544 189 G N 1.352 110.112 108.800 -0.066 0.000 2.313 189 G HA2 0.400 4.324 3.960 -0.060 0.000 0.250 189 G HA3 0.400 4.324 3.960 -0.060 0.000 0.250 189 G C -0.682 174.152 174.900 -0.111 0.000 1.281 189 G CA -0.421 44.616 45.100 -0.106 0.000 0.917 189 G HN 0.517 nan 8.290 nan 0.000 0.501 190 K N 2.035 122.350 120.400 -0.141 0.000 2.535 190 K HA 0.174 4.458 4.320 -0.060 0.000 0.250 190 K C -0.169 176.306 176.600 -0.209 0.000 0.948 190 K CA -0.672 55.533 56.287 -0.135 0.000 0.796 190 K CB 1.699 34.157 32.500 -0.069 0.000 1.216 190 K HN 0.598 nan 8.250 nan 0.000 0.432 191 E N 3.342 123.429 120.200 -0.188 0.000 2.694 191 E HA -0.159 4.155 4.350 -0.060 0.000 0.250 191 E C -0.593 175.922 176.600 -0.142 0.000 0.963 191 E CA 1.017 57.305 56.400 -0.187 0.000 0.949 191 E CB 0.215 29.839 29.700 -0.127 0.000 0.911 191 E HN 0.665 nan 8.360 nan 0.000 0.500 192 D N 2.340 122.633 120.400 -0.179 0.000 2.978 192 D HA -0.248 4.356 4.640 -0.060 0.000 0.205 192 D C 0.533 176.895 176.300 0.103 0.000 1.093 192 D CA 1.527 55.553 54.000 0.043 0.000 1.006 192 D CB -0.886 39.978 40.800 0.106 0.000 1.116 192 D HN 0.456 nan 8.370 nan 0.000 0.419 193 I N -0.612 119.934 120.570 -0.040 0.000 3.518 193 I HA 0.100 4.234 4.170 -0.060 0.000 0.260 193 I C 0.572 176.769 176.117 0.133 0.000 1.148 193 I CA 0.312 61.665 61.300 0.087 0.000 1.440 193 I CB 0.565 38.593 38.000 0.046 0.000 1.485 193 I HN -0.114 nan 8.210 nan 0.000 0.456 194 I N 1.067 121.615 120.570 -0.038 0.000 2.418 194 I HA 0.268 4.402 4.170 -0.060 0.000 0.287 194 I C -1.470 174.610 176.117 -0.061 0.000 1.008 194 I CA -0.549 60.788 61.300 0.062 0.000 1.104 194 I CB 0.869 38.895 38.000 0.042 0.000 1.264 194 I HN 0.027 nan 8.210 nan 0.000 0.438 195 Y N 4.654 125.043 120.300 0.149 0.000 2.334 195 Y HA 0.397 4.910 4.550 -0.060 0.000 0.336 195 Y C 0.401 176.368 175.900 0.111 0.000 0.960 195 Y CA -0.792 57.398 58.100 0.151 0.000 1.164 195 Y CB 1.091 39.718 38.460 0.278 0.000 1.155 195 Y HN 0.406 nan 8.280 nan 0.000 0.478 196 N N 2.365 121.125 118.700 0.099 0.000 2.476 196 N HA 0.350 5.054 4.740 -0.060 0.000 0.257 196 N C 0.809 176.248 175.510 -0.118 0.000 0.970 196 N CA 0.419 53.453 53.050 -0.026 0.000 0.938 196 N CB 1.814 40.185 38.487 -0.193 0.000 1.144 196 N HN 0.991 nan 8.380 nan 0.000 0.500 197 G N 1.659 110.412 108.800 -0.078 0.000 2.179 197 G HA2 -0.256 3.668 3.960 -0.060 0.000 0.260 197 G HA3 -0.256 3.668 3.960 -0.060 0.000 0.260 197 G C 0.100 174.846 174.900 -0.257 0.000 0.977 197 G CA 0.610 45.589 45.100 -0.203 0.000 0.641 197 G HN 0.646 nan 8.290 nan 0.000 0.533 198 I N -1.355 119.139 120.570 -0.128 0.000 2.828 198 I HA 0.812 4.946 4.170 -0.060 0.000 0.302 198 I C 0.393 176.536 176.117 0.044 0.000 1.101 198 I CA -0.664 60.463 61.300 -0.289 0.000 1.031 198 I CB 2.001 39.650 38.000 -0.584 0.000 1.231 198 I HN 0.167 nan 8.210 nan 0.000 0.427 199 T N -0.278 114.229 114.554 -0.079 0.000 2.849 199 T HA 0.362 4.676 4.350 -0.060 0.000 0.284 199 T C -0.173 174.329 174.700 -0.331 0.000 1.004 199 T CA -0.633 61.276 62.100 -0.318 0.000 1.021 199 T CB 1.138 69.920 68.868 -0.144 0.000 1.013 199 T HN 0.784 nan 8.240 nan 0.000 0.527 200 D N -0.190 119.758 120.400 -0.753 0.000 2.506 200 D HA 0.042 4.646 4.640 -0.060 0.000 0.272 200 D C 0.971 177.219 176.300 -0.087 0.000 1.214 200 D CA -1.140 52.476 54.000 -0.640 0.000 1.067 200 D CB 0.156 40.470 40.800 -0.811 0.000 1.117 200 D HN 0.716 nan 8.370 nan 0.000 0.578 201 W N 0.237 121.503 121.300 -0.056 0.000 2.317 201 W HA -0.245 4.378 4.660 -0.061 0.000 0.318 201 W C 2.136 178.566 176.519 -0.149 0.000 1.227 201 W CA 2.416 59.722 57.345 -0.065 0.000 1.269 201 W CB -0.395 28.969 29.460 -0.160 0.000 1.155 201 W HN 0.194 nan 8.180 nan 0.000 0.484 202 V N -0.310 119.711 119.914 0.178 0.000 2.453 202 V HA -0.277 3.807 4.120 -0.060 0.000 0.247 202 V C 1.834 177.776 176.094 -0.252 0.000 1.048 202 V CA 1.946 64.242 62.300 -0.007 0.000 1.049 202 V CB -0.707 31.097 31.823 -0.031 0.000 0.672 202 V HN 0.291 nan 8.190 nan 0.000 0.457 203 Y N 0.670 120.795 120.300 -0.292 0.000 2.263 203 Y HA -0.158 4.356 4.550 -0.060 0.000 0.292 203 Y C 2.552 178.321 175.900 -0.218 0.000 1.130 203 Y CA 2.059 59.963 58.100 -0.327 0.000 1.179 203 Y CB -0.082 38.078 38.460 -0.500 0.000 0.998 203 Y HN 0.404 nan 8.280 nan 0.000 0.532 204 E N 0.410 120.574 120.200 -0.059 0.000 2.031 204 E HA -0.302 4.012 4.350 -0.060 0.000 0.193 204 E C 2.034 178.584 176.600 -0.084 0.000 0.994 204 E CA 1.669 58.060 56.400 -0.015 0.000 0.800 204 E CB -0.052 29.651 29.700 0.006 0.000 0.752 204 E HN 0.382 nan 8.360 nan 0.000 0.447 205 E N 0.066 120.035 120.200 -0.385 0.000 2.076 205 E HA -0.144 4.170 4.350 -0.060 0.000 0.190 205 E C 1.582 178.052 176.600 -0.217 0.000 0.979 205 E CA 1.493 57.646 56.400 -0.413 0.000 0.807 205 E CB 0.201 29.278 29.700 -1.038 0.000 0.761 205 E HN 0.260 nan 8.360 nan 0.000 0.454 206 E N -0.930 119.116 120.200 -0.256 0.000 2.465 206 E HA 0.112 4.426 4.350 -0.060 0.000 0.209 206 E C 1.658 178.111 176.600 -0.245 0.000 0.951 206 E CA 0.339 56.632 56.400 -0.179 0.000 0.997 206 E CB 1.045 30.642 29.700 -0.171 0.000 1.025 206 E HN 0.184 nan 8.360 nan 0.000 0.500 207 V N -0.288 119.415 119.914 -0.351 0.000 2.735 207 V HA 0.046 4.130 4.120 -0.060 0.000 0.234 207 V C 1.468 177.342 176.094 -0.367 0.000 1.121 207 V CA 0.748 62.745 62.300 -0.505 0.000 1.160 207 V CB -0.309 30.977 31.823 -0.893 0.000 0.908 207 V HN 0.013 nan 8.190 nan 0.000 0.495 208 F N 0.837 120.800 119.950 0.021 0.000 2.754 208 F HA 0.272 4.763 4.527 -0.061 0.000 0.297 208 F C 1.549 177.312 175.800 -0.062 0.000 1.122 208 F CA 0.091 58.118 58.000 0.045 0.000 1.400 208 F CB -0.574 38.498 39.000 0.120 0.000 1.117 208 F HN 0.097 nan 8.300 nan 0.000 0.587 209 S N 0.412 116.124 115.700 0.021 0.000 3.549 209 S HA 0.019 4.453 4.470 -0.060 0.000 0.366 209 S C 0.118 174.293 174.600 -0.708 0.000 1.012 209 S CA 0.419 58.498 58.200 -0.202 0.000 1.141 209 S CB -1.875 61.279 63.200 -0.076 0.000 0.910 209 S HN 0.692 nan 8.310 nan 0.000 0.471 210 A N -0.753 121.847 122.820 -0.366 0.000 2.597 210 A HA 0.671 4.955 4.320 -0.060 0.000 0.292 210 A C -0.332 177.229 177.584 -0.038 0.000 1.057 210 A CA -0.427 51.433 52.037 -0.295 0.000 0.674 210 A CB 0.292 19.152 19.000 -0.233 0.000 1.278 210 A HN 0.333 nan 8.150 nan 0.000 0.416 211 Y N 1.489 121.644 120.300 -0.242 0.000 2.314 211 Y HA 0.071 4.586 4.550 -0.059 0.000 0.294 211 Y C 1.751 177.377 175.900 -0.456 0.000 1.119 211 Y CA 1.077 59.036 58.100 -0.234 0.000 1.179 211 Y CB 0.235 38.601 38.460 -0.157 0.000 1.025 211 Y HN 0.853 nan 8.280 nan 0.000 0.541 212 S N 0.794 115.959 115.700 -0.892 0.000 2.562 212 S HA 0.394 4.828 4.470 -0.060 0.000 0.281 212 S C 0.034 174.098 174.600 -0.893 0.000 1.333 212 S CA -0.119 57.362 58.200 -1.199 0.000 1.052 212 S CB 1.511 63.581 63.200 -1.883 0.000 0.884 212 S HN 0.380 nan 8.310 nan 0.000 0.506 213 A N 3.966 126.269 122.820 -0.861 0.000 2.992 213 A HA 0.556 4.840 4.320 -0.060 0.000 0.263 213 A C -0.394 176.487 177.584 -1.172 0.000 0.928 213 A CA -0.620 50.808 52.037 -1.016 0.000 1.061 213 A CB -0.110 18.817 19.000 -0.122 0.000 1.173 213 A HN 0.798 nan 8.150 nan 0.000 0.482 214 L N 0.410 120.846 121.223 -1.312 0.000 2.365 214 L HA 0.614 4.918 4.340 -0.060 0.000 0.273 214 L C -1.130 175.258 176.870 -0.802 0.000 1.000 214 L CA -0.568 53.819 54.840 -0.755 0.000 0.819 214 L CB 1.922 43.718 42.059 -0.438 0.000 1.284 214 L HN 0.457 nan 8.230 nan 0.000 0.418 215 W N 2.424 123.721 121.300 -0.006 0.000 2.631 215 W HA 0.228 4.852 4.660 -0.060 0.000 0.321 215 W C -1.151 175.556 176.519 0.313 0.000 1.004 215 W CA -1.070 56.397 57.345 0.204 0.000 1.291 215 W CB 1.383 31.014 29.460 0.285 0.000 1.300 215 W HN 0.484 nan 8.180 nan 0.000 0.422 216 W N 2.557 124.074 121.300 0.361 0.000 2.190 216 W HA 0.226 4.849 4.660 -0.061 0.000 0.330 216 W C 1.315 177.682 176.519 -0.255 0.000 1.299 216 W CA 0.275 57.694 57.345 0.123 0.000 1.215 216 W CB 0.845 30.347 29.460 0.069 0.000 1.147 216 W HN 0.186 nan 8.180 nan 0.000 0.563 217 S N 2.823 118.270 115.700 -0.421 0.000 2.584 217 S HA 0.120 4.554 4.470 -0.060 0.000 0.270 217 S C -1.728 172.591 174.600 -0.468 0.000 1.346 217 S CA -0.961 56.434 58.200 -1.342 0.000 1.018 217 S CB 0.852 63.395 63.200 -1.096 0.000 0.899 217 S HN 0.298 nan 8.310 nan 0.000 0.542 218 P HA -0.161 nan 4.420 nan 0.000 0.216 218 P C 0.844 178.102 177.300 -0.071 0.000 1.154 218 P CA 1.677 64.726 63.100 -0.085 0.000 0.865 218 P CB -0.228 31.470 31.700 -0.003 0.000 0.789 219 N N -2.131 116.510 118.700 -0.099 0.000 2.230 219 N HA 0.143 4.847 4.740 -0.060 0.000 0.202 219 N C 1.067 176.499 175.510 -0.130 0.000 1.119 219 N CA 0.437 53.431 53.050 -0.094 0.000 0.851 219 N CB -0.723 37.721 38.487 -0.070 0.000 0.990 219 N HN 0.171 nan 8.380 nan 0.000 0.497 220 G N -0.903 107.831 108.800 -0.110 0.000 2.159 220 G HA2 -0.342 3.582 3.960 -0.060 0.000 0.256 220 G HA3 -0.342 3.582 3.960 -0.060 0.000 0.256 220 G C 0.934 175.871 174.900 0.062 0.000 0.977 220 G CA 0.795 45.858 45.100 -0.061 0.000 0.652 220 G HN 0.375 nan 8.290 nan 0.000 0.531 221 T N -0.039 114.457 114.554 -0.097 0.000 2.701 221 T HA 0.183 4.497 4.350 -0.060 0.000 0.263 221 T C 0.868 175.394 174.700 -0.290 0.000 1.040 221 T CA 1.370 63.299 62.100 -0.285 0.000 1.147 221 T CB -0.096 68.446 68.868 -0.542 0.000 0.865 221 T HN 0.294 nan 8.240 nan 0.000 0.426 222 F N 0.345 120.331 119.950 0.060 0.000 2.425 222 F HA 0.621 5.112 4.527 -0.060 0.000 0.331 222 F C -0.200 175.682 175.800 0.136 0.000 1.085 222 F CA -1.672 56.408 58.000 0.133 0.000 1.028 222 F CB 1.082 40.243 39.000 0.269 0.000 1.177 222 F HN -0.100 nan 8.300 nan 0.000 0.487 223 L N 2.841 124.234 121.223 0.283 0.000 2.377 223 L HA 0.778 5.082 4.340 -0.060 0.000 0.270 223 L C -0.604 176.366 176.870 0.166 0.000 0.991 223 L CA -0.554 54.285 54.840 -0.002 0.000 0.851 223 L CB 0.635 42.401 42.059 -0.490 0.000 1.218 223 L HN 0.660 nan 8.230 nan 0.000 0.420 224 A N 4.826 127.822 122.820 0.293 0.000 2.310 224 A HA 0.720 5.004 4.320 -0.060 0.000 0.299 224 A C -1.269 176.393 177.584 0.130 0.000 1.147 224 A CA -0.184 51.899 52.037 0.076 0.000 0.818 224 A CB 0.354 19.462 19.000 0.180 0.000 1.096 224 A HN 0.880 nan 8.150 nan 0.000 0.495 225 Y N -1.351 118.714 120.300 -0.392 0.000 2.609 225 Y HA 0.748 5.262 4.550 -0.060 0.000 0.336 225 Y C -0.296 175.415 175.900 -0.315 0.000 1.129 225 Y CA -0.966 57.013 58.100 -0.202 0.000 1.040 225 Y CB 0.959 39.283 38.460 -0.227 0.000 1.310 225 Y HN 0.871 nan 8.280 nan 0.000 0.460 226 A N 2.463 125.374 122.820 0.152 0.000 2.312 226 A HA 0.623 4.907 4.320 -0.060 0.000 0.328 226 A C -1.034 176.446 177.584 -0.172 0.000 1.158 226 A CA -0.807 51.184 52.037 -0.076 0.000 0.821 226 A CB 1.507 20.445 19.000 -0.103 0.000 1.170 226 A HN 0.803 nan 8.150 nan 0.000 0.490 227 Q N 1.470 121.113 119.800 -0.263 0.000 2.325 227 Q HA 0.581 4.885 4.340 -0.060 0.000 0.270 227 Q C -1.977 173.825 176.000 -0.329 0.000 1.020 227 Q CA -0.345 55.397 55.803 -0.103 0.000 0.785 227 Q CB 0.948 29.823 28.738 0.228 0.000 1.259 227 Q HN 0.612 nan 8.270 nan 0.000 0.452 228 F N 2.221 122.277 119.950 0.177 0.000 2.450 228 F HA 0.440 4.932 4.527 -0.059 0.000 0.332 228 F C 0.476 176.426 175.800 0.250 0.000 1.093 228 F CA -0.907 57.170 58.000 0.128 0.000 1.003 228 F CB 1.275 40.247 39.000 -0.047 0.000 1.151 228 F HN 0.429 nan 8.300 nan 0.000 0.474 229 N N 1.491 120.412 118.700 0.369 0.000 2.442 229 N HA 0.241 4.945 4.740 -0.060 0.000 0.274 229 N C -1.006 174.676 175.510 0.287 0.000 1.002 229 N CA -0.381 52.849 53.050 0.300 0.000 0.910 229 N CB 1.249 39.858 38.487 0.204 0.000 1.244 229 N HN 0.553 nan 8.380 nan 0.000 0.492 230 D N 1.161 121.751 120.400 0.316 0.000 2.402 230 D HA 0.137 4.741 4.640 -0.060 0.000 0.216 230 D C 1.143 177.559 176.300 0.195 0.000 1.128 230 D CA 0.165 54.327 54.000 0.271 0.000 0.833 230 D CB 0.589 41.605 40.800 0.360 0.000 0.971 230 D HN 0.494 nan 8.370 nan 0.000 0.503 231 T N 0.466 115.116 114.554 0.161 0.000 2.649 231 T HA -0.239 4.075 4.350 -0.060 0.000 0.268 231 T C 1.313 176.071 174.700 0.097 0.000 1.036 231 T CA 1.419 63.587 62.100 0.115 0.000 1.157 231 T CB -0.094 68.830 68.868 0.094 0.000 0.861 231 T HN 0.343 nan 8.240 nan 0.000 0.445 232 E N 0.321 120.578 120.200 0.095 0.000 2.476 232 E HA 0.190 4.504 4.350 -0.060 0.000 0.196 232 E C -0.337 176.312 176.600 0.082 0.000 1.029 232 E CA -0.247 56.199 56.400 0.076 0.000 0.896 232 E CB 0.529 30.266 29.700 0.063 0.000 1.012 232 E HN 0.220 nan 8.360 nan 0.000 0.475 233 V N 3.877 123.853 119.914 0.104 0.000 2.521 233 V HA 0.064 4.148 4.120 -0.060 0.000 0.286 233 V C -2.001 174.151 176.094 0.097 0.000 1.034 233 V CA -1.313 61.052 62.300 0.108 0.000 1.045 233 V CB 0.093 31.998 31.823 0.137 0.000 0.974 233 V HN 0.043 nan 8.190 nan 0.000 0.480 234 P HA 0.284 nan 4.420 nan 0.000 0.272 234 P C -0.727 176.617 177.300 0.072 0.000 1.223 234 P CA -0.320 62.822 63.100 0.069 0.000 0.784 234 P CB 0.515 32.253 31.700 0.063 0.000 0.923 235 L N 2.531 123.778 121.223 0.039 0.000 2.289 235 L HA 0.397 4.701 4.340 -0.060 0.000 0.285 235 L C 0.483 177.322 176.870 -0.051 0.000 1.049 235 L CA -0.951 53.899 54.840 0.016 0.000 0.804 235 L CB 0.833 42.897 42.059 0.007 0.000 1.195 235 L HN 0.307 nan 8.230 nan 0.000 0.428 236 I N 3.044 123.543 120.570 -0.119 0.000 2.441 236 I HA 0.158 4.292 4.170 -0.060 0.000 0.287 236 I C -0.188 175.820 176.117 -0.183 0.000 1.049 236 I CA 0.406 61.538 61.300 -0.280 0.000 1.381 236 I CB 0.538 38.093 38.000 -0.741 0.000 1.409 236 I HN 0.573 nan 8.210 nan 0.000 0.523 237 E N 7.511 127.620 120.200 -0.151 0.000 2.210 237 E HA 0.505 4.819 4.350 -0.060 0.000 0.266 237 E C -1.726 174.851 176.600 -0.037 0.000 0.883 237 E CA -0.600 55.719 56.400 -0.135 0.000 0.761 237 E CB 1.945 31.579 29.700 -0.111 0.000 1.156 237 E HN 0.582 nan 8.360 nan 0.000 0.412 238 Y N -1.753 118.463 120.300 -0.139 0.000 2.609 238 Y HA 0.526 5.040 4.550 -0.060 0.000 0.336 238 Y C -0.697 175.127 175.900 -0.126 0.000 1.129 238 Y CA -1.308 56.713 58.100 -0.132 0.000 1.040 238 Y CB 0.888 39.274 38.460 -0.123 0.000 1.310 238 Y HN 0.187 nan 8.280 nan 0.000 0.460 239 S N 2.110 117.785 115.700 -0.043 0.000 2.548 239 S HA 0.398 4.832 4.470 -0.060 0.000 0.277 239 S C -1.304 173.104 174.600 -0.320 0.000 1.315 239 S CA -0.343 57.674 58.200 -0.306 0.000 1.050 239 S CB 0.112 62.988 63.200 -0.541 0.000 0.918 239 S HN 0.526 nan 8.310 nan 0.000 0.497 240 F N 2.755 122.425 119.950 -0.466 0.000 2.449 240 F HA 0.428 4.918 4.527 -0.062 0.000 0.342 240 F C -0.094 175.474 175.800 -0.386 0.000 1.127 240 F CA -0.778 57.035 58.000 -0.313 0.000 0.975 240 F CB 0.823 39.764 39.000 -0.098 0.000 1.146 240 F HN 0.670 nan 8.300 nan 0.000 0.444 241 Y N 2.684 122.784 120.300 -0.333 0.000 2.347 241 Y HA 0.124 4.637 4.550 -0.061 0.000 0.294 241 Y C 1.674 177.512 175.900 -0.104 0.000 1.117 241 Y CA 1.093 59.086 58.100 -0.179 0.000 1.184 241 Y CB -0.409 37.928 38.460 -0.205 0.000 1.047 241 Y HN 0.738 nan 8.280 nan 0.000 0.546 242 S N -0.152 115.481 115.700 -0.111 0.000 3.683 242 S HA -0.302 4.132 4.470 -0.060 0.000 0.636 242 S C -0.275 174.379 174.600 0.089 0.000 2.235 242 S CA 0.100 58.376 58.200 0.127 0.000 2.445 242 S CB -1.465 61.918 63.200 0.306 0.000 0.330 242 S HN 0.591 nan 8.310 nan 0.000 1.763 243 D N 1.327 121.797 120.400 0.118 0.000 2.449 243 D HA 0.208 4.812 4.640 -0.060 0.000 0.236 243 D C 1.612 177.947 176.300 0.060 0.000 1.149 243 D CA 0.829 54.877 54.000 0.079 0.000 0.878 243 D CB 0.475 41.323 40.800 0.079 0.000 1.198 243 D HN 0.606 nan 8.370 nan 0.000 0.446 244 E N 0.839 121.061 120.200 0.037 0.000 2.331 244 E HA -0.227 4.087 4.350 -0.060 0.000 0.199 244 E C 1.271 177.885 176.600 0.024 0.000 1.008 244 E CA 1.129 57.541 56.400 0.021 0.000 0.843 244 E CB -0.201 29.502 29.700 0.005 0.000 0.761 244 E HN 0.375 nan 8.360 nan 0.000 0.507 245 S N 0.552 116.273 115.700 0.035 0.000 2.489 245 S HA -0.017 4.417 4.470 -0.060 0.000 0.228 245 S C 1.104 175.732 174.600 0.046 0.000 0.995 245 S CA -0.215 58.006 58.200 0.035 0.000 0.934 245 S CB -0.259 62.964 63.200 0.037 0.000 0.771 245 S HN 0.331 nan 8.310 nan 0.000 0.522 246 L N 2.515 123.775 121.223 0.062 0.000 2.456 246 L HA 0.137 4.441 4.340 -0.060 0.000 0.277 246 L C 1.560 178.467 176.870 0.062 0.000 1.124 246 L CA 0.081 54.969 54.840 0.080 0.000 0.880 246 L CB 0.914 43.036 42.059 0.106 0.000 1.192 246 L HN 0.463 nan 8.230 nan 0.000 0.463 247 Q N 4.183 124.023 119.800 0.067 0.000 2.083 247 Q HA -0.092 4.212 4.340 -0.060 0.000 0.198 247 Q C -0.579 175.345 176.000 -0.128 0.000 0.969 247 Q CA 1.315 57.108 55.803 -0.017 0.000 0.838 247 Q CB 0.219 28.974 28.738 0.029 0.000 0.900 247 Q HN 0.613 nan 8.270 nan 0.000 0.436 248 Y N 0.668 120.984 120.300 0.026 0.000 2.341 248 Y HA 0.378 4.892 4.550 -0.060 0.000 0.338 248 Y C -2.035 173.879 175.900 0.024 0.000 0.965 248 Y CA -2.880 55.233 58.100 0.021 0.000 1.108 248 Y CB 1.413 39.877 38.460 0.007 0.000 1.180 248 Y HN 0.163 nan 8.280 nan 0.000 0.458 249 P HA 0.033 nan 4.420 nan 0.000 0.269 249 P C -0.793 176.523 177.300 0.027 0.000 1.215 249 P CA -0.495 62.636 63.100 0.052 0.000 0.780 249 P CB 0.744 32.426 31.700 -0.030 0.000 0.898 250 K N 0.751 121.148 120.400 -0.005 0.000 2.118 250 K HA 0.357 4.641 4.320 -0.060 0.000 0.267 250 K C -0.737 175.810 176.600 -0.088 0.000 0.991 250 K CA -0.379 55.899 56.287 -0.014 0.000 0.916 250 K CB 0.542 33.058 32.500 0.026 0.000 1.041 250 K HN 0.331 nan 8.250 nan 0.000 0.455 251 T N 2.938 117.429 114.554 -0.105 0.000 2.743 251 T HA 0.216 4.530 4.350 -0.060 0.000 0.292 251 T C -0.498 174.072 174.700 -0.217 0.000 0.972 251 T CA -0.646 61.357 62.100 -0.161 0.000 0.967 251 T CB 1.001 69.796 68.868 -0.122 0.000 0.926 251 T HN 0.281 nan 8.240 nan 0.000 0.459 252 V N 5.433 125.116 119.914 -0.384 0.000 2.530 252 V HA 0.394 4.478 4.120 -0.060 0.000 0.282 252 V C 0.466 176.309 176.094 -0.418 0.000 1.048 252 V CA -0.424 61.596 62.300 -0.467 0.000 0.997 252 V CB 0.732 32.075 31.823 -0.801 0.000 0.987 252 V HN 0.719 nan 8.190 nan 0.000 0.477 253 R N 3.516 123.897 120.500 -0.199 0.000 2.476 253 R HA 0.744 5.048 4.340 -0.060 0.000 0.305 253 R C -1.697 174.607 176.300 0.008 0.000 0.965 253 R CA -0.577 55.459 56.100 -0.107 0.000 0.867 253 R CB 2.243 32.503 30.300 -0.067 0.000 1.176 253 R HN 0.512 nan 8.270 nan 0.000 0.447 254 V N 3.872 123.801 119.914 0.024 0.000 2.577 254 V HA 0.331 4.415 4.120 -0.060 0.000 0.303 254 V C -2.418 173.743 176.094 0.113 0.000 1.042 254 V CA -2.425 59.951 62.300 0.127 0.000 0.872 254 V CB 2.163 34.047 31.823 0.101 0.000 0.998 254 V HN 0.626 nan 8.190 nan 0.000 0.423 255 P HA 0.159 nan 4.420 nan 0.000 0.265 255 P C -1.271 176.137 177.300 0.179 0.000 1.222 255 P CA 0.440 63.649 63.100 0.182 0.000 0.767 255 P CB -0.210 31.634 31.700 0.240 0.000 0.801 256 Y N 6.189 126.470 120.300 -0.031 0.000 2.301 256 Y HA 0.372 4.886 4.550 -0.061 0.000 0.325 256 Y C -2.668 173.200 175.900 -0.055 0.000 1.103 256 Y CA -2.774 55.249 58.100 -0.128 0.000 1.182 256 Y CB 1.999 40.271 38.460 -0.313 0.000 1.139 256 Y HN 0.293 nan 8.280 nan 0.000 0.443 257 P HA 0.226 nan 4.420 nan 0.000 0.287 257 P C -1.173 176.159 177.300 0.053 0.000 1.307 257 P CA -0.164 62.956 63.100 0.033 0.000 0.777 257 P CB 1.255 32.964 31.700 0.015 0.000 0.883 258 K N 2.006 122.527 120.400 0.201 0.000 2.126 258 K HA 0.515 4.800 4.320 -0.060 0.000 0.257 258 K C 0.479 177.178 176.600 0.166 0.000 1.007 258 K CA -0.758 55.671 56.287 0.236 0.000 0.928 258 K CB 0.721 33.383 32.500 0.270 0.000 1.013 258 K HN 0.451 nan 8.250 nan 0.000 0.473 259 A N 1.183 124.130 122.820 0.212 0.000 2.573 259 A HA 0.242 4.526 4.320 -0.060 0.000 0.250 259 A C 1.238 178.873 177.584 0.086 0.000 1.049 259 A CA 1.162 53.318 52.037 0.198 0.000 0.767 259 A CB -1.210 18.014 19.000 0.374 0.000 0.965 259 A HN 0.941 nan 8.150 nan 0.000 0.514 260 G N 1.040 109.873 108.800 0.054 0.000 2.241 260 G HA2 0.135 4.059 3.960 -0.060 0.000 0.244 260 G HA3 0.135 4.059 3.960 -0.060 0.000 0.244 260 G C 0.692 175.604 174.900 0.020 0.000 0.998 260 G CA 0.607 45.707 45.100 0.001 0.000 0.621 260 G HN 2.207 nan 8.290 nan 0.000 0.519 261 A N 0.054 122.903 122.820 0.048 0.000 2.296 261 A HA 0.710 4.994 4.320 -0.060 0.000 0.264 261 A C 0.937 178.551 177.584 0.050 0.000 1.097 261 A CA 0.373 52.442 52.037 0.053 0.000 0.811 261 A CB 0.589 19.635 19.000 0.076 0.000 1.072 261 A HN 1.218 nan 8.150 nan 0.000 0.495 262 V N 2.571 122.515 119.914 0.050 0.000 2.493 262 V HA -0.021 4.063 4.120 -0.060 0.000 0.292 262 V C 0.446 176.581 176.094 0.068 0.000 1.016 262 V CA 0.114 62.444 62.300 0.050 0.000 1.097 262 V CB -0.544 31.310 31.823 0.051 0.000 0.947 262 V HN 0.803 nan 8.190 nan 0.000 0.479 263 N N 6.444 125.183 118.700 0.064 0.000 2.493 263 N HA 0.447 5.151 4.740 -0.060 0.000 0.275 263 N C -2.362 173.225 175.510 0.128 0.000 1.186 263 N CA -1.531 51.578 53.050 0.099 0.000 0.978 263 N CB 0.946 39.484 38.487 0.085 0.000 1.184 263 N HN 0.399 nan 8.380 nan 0.000 0.487 264 P HA 0.079 nan 4.420 nan 0.000 0.271 264 P C -0.432 177.014 177.300 0.243 0.000 1.218 264 P CA -0.144 63.103 63.100 0.246 0.000 0.780 264 P CB 0.276 32.172 31.700 0.327 0.000 0.901 265 T N -1.098 113.578 114.554 0.203 0.000 2.927 265 T HA 0.552 4.866 4.350 -0.060 0.000 0.281 265 T C -0.213 174.613 174.700 0.210 0.000 0.998 265 T CA -0.815 61.373 62.100 0.146 0.000 1.019 265 T CB 1.448 70.369 68.868 0.088 0.000 1.061 265 T HN 0.319 nan 8.240 nan 0.000 0.518 266 V N 0.696 120.715 119.914 0.174 0.000 2.841 266 V HA 0.702 4.786 4.120 -0.060 0.000 0.310 266 V C -1.340 174.845 176.094 0.153 0.000 1.090 266 V CA -0.834 61.529 62.300 0.106 0.000 0.930 266 V CB 1.987 33.890 31.823 0.133 0.000 1.014 266 V HN 1.037 nan 8.190 nan 0.000 0.425 267 K N 4.659 125.091 120.400 0.054 0.000 2.395 267 K HA 0.614 4.898 4.320 -0.060 0.000 0.247 267 K C -1.862 174.690 176.600 -0.080 0.000 0.973 267 K CA -0.547 55.749 56.287 0.016 0.000 0.828 267 K CB 2.815 35.335 32.500 0.033 0.000 1.272 267 K HN 0.570 nan 8.250 nan 0.000 0.439 268 F N 1.924 121.573 119.950 -0.502 0.000 2.540 268 F HA 0.564 5.055 4.527 -0.060 0.000 0.317 268 F C -1.533 173.702 175.800 -0.941 0.000 1.104 268 F CA -0.633 57.056 58.000 -0.519 0.000 0.913 268 F CB 0.963 39.787 39.000 -0.293 0.000 1.170 268 F HN 0.386 nan 8.300 nan 0.000 0.450 269 F N 3.748 122.986 119.950 -1.186 0.000 2.613 269 F HA 0.774 5.265 4.527 -0.060 0.000 0.314 269 F C -1.024 174.161 175.800 -1.024 0.000 1.075 269 F CA -1.212 56.201 58.000 -0.979 0.000 0.945 269 F CB 2.102 40.423 39.000 -1.132 0.000 1.310 269 F HN 0.140 nan 8.300 nan 0.000 0.467 270 V N 2.263 121.976 119.914 -0.335 0.000 2.686 270 V HA 0.625 4.709 4.120 -0.060 0.000 0.306 270 V C -1.248 174.931 176.094 0.141 0.000 1.065 270 V CA -0.849 61.331 62.300 -0.201 0.000 0.894 270 V CB 1.952 33.422 31.823 -0.588 0.000 1.004 270 V HN 0.618 nan 8.190 nan 0.000 0.424 271 V N 4.166 124.236 119.914 0.260 0.000 2.540 271 V HA 0.587 4.671 4.120 -0.060 0.000 0.302 271 V C -0.339 175.994 176.094 0.400 0.000 1.035 271 V CA -0.564 61.922 62.300 0.311 0.000 0.873 271 V CB 2.022 33.971 31.823 0.210 0.000 0.992 271 V HN 0.934 nan 8.190 nan 0.000 0.428 272 N N 3.956 122.902 118.700 0.409 0.000 2.405 272 N HA 0.119 4.824 4.740 -0.060 0.000 0.260 272 N C 1.209 176.756 175.510 0.062 0.000 1.152 272 N CA 0.697 53.882 53.050 0.224 0.000 0.948 272 N CB 1.565 40.168 38.487 0.193 0.000 1.111 272 N HN 0.907 nan 8.380 nan 0.000 0.485 273 T N -0.278 114.293 114.554 0.027 0.000 3.035 273 T HA -0.022 4.292 4.350 -0.060 0.000 0.268 273 T C 0.815 175.490 174.700 -0.042 0.000 1.109 273 T CA 0.698 62.810 62.100 0.020 0.000 1.119 273 T CB 0.109 69.076 68.868 0.164 0.000 0.900 273 T HN 0.273 nan 8.240 nan 0.000 0.503 274 D N 2.120 122.474 120.400 -0.076 0.000 2.277 274 D HA 0.016 4.620 4.640 -0.060 0.000 0.208 274 D C 1.596 177.854 176.300 -0.070 0.000 0.962 274 D CA 1.014 54.966 54.000 -0.081 0.000 0.865 274 D CB -0.039 40.692 40.800 -0.115 0.000 0.939 274 D HN 0.656 nan 8.370 nan 0.000 0.510 275 S N 0.026 115.690 115.700 -0.061 0.000 2.537 275 S HA 0.226 4.660 4.470 -0.060 0.000 0.246 275 S C 0.227 174.778 174.600 -0.081 0.000 1.036 275 S CA -0.653 57.523 58.200 -0.040 0.000 1.041 275 S CB 0.031 63.238 63.200 0.013 0.000 0.799 275 S HN -0.134 nan 8.310 nan 0.000 0.456 276 L N 3.605 124.714 121.223 -0.190 0.000 2.367 276 L HA 0.530 4.834 4.340 -0.060 0.000 0.275 276 L C 0.560 177.221 176.870 -0.349 0.000 1.129 276 L CA 0.272 54.881 54.840 -0.385 0.000 0.839 276 L CB 0.971 42.546 42.059 -0.806 0.000 1.133 276 L HN 0.569 nan 8.230 nan 0.000 0.453 277 S N 0.003 115.588 115.700 -0.191 0.000 2.536 277 S HA 0.502 4.936 4.470 -0.060 0.000 0.298 277 S C 0.469 175.207 174.600 0.230 0.000 1.083 277 S CA -0.088 58.126 58.200 0.023 0.000 0.995 277 S CB 1.613 64.840 63.200 0.044 0.000 1.058 277 S HN 0.540 nan 8.310 nan 0.000 0.488 278 S N 1.091 117.000 115.700 0.348 0.000 2.605 278 S HA 0.140 4.574 4.470 -0.060 0.000 0.217 278 S C 0.956 175.663 174.600 0.178 0.000 0.958 278 S CA -0.034 58.362 58.200 0.328 0.000 0.919 278 S CB -0.337 63.001 63.200 0.230 0.000 0.780 278 S HN 0.567 nan 8.310 nan 0.000 0.507 279 V N 1.707 121.704 119.914 0.139 0.000 2.672 279 V HA 0.161 4.245 4.120 -0.060 0.000 0.242 279 V C 1.400 177.540 176.094 0.077 0.000 1.059 279 V CA 1.380 63.734 62.300 0.090 0.000 1.081 279 V CB -0.074 31.790 31.823 0.067 0.000 0.752 279 V HN 0.793 nan 8.190 nan 0.000 0.472 280 T N -1.688 112.914 114.554 0.080 0.000 2.932 280 T HA 0.441 4.755 4.350 -0.060 0.000 0.289 280 T C -0.376 174.376 174.700 0.087 0.000 1.039 280 T CA -0.753 61.382 62.100 0.058 0.000 1.024 280 T CB 1.617 70.507 68.868 0.037 0.000 1.090 280 T HN 0.071 nan 8.240 nan 0.000 0.496 281 N N 1.148 119.884 118.700 0.060 0.000 2.492 281 N HA 0.412 5.116 4.740 -0.060 0.000 0.260 281 N C 0.326 175.894 175.510 0.096 0.000 1.215 281 N CA -0.091 53.025 53.050 0.109 0.000 0.923 281 N CB 0.644 39.130 38.487 -0.001 0.000 1.092 281 N HN 0.997 nan 8.380 nan 0.000 0.448 282 A N 1.183 124.077 122.820 0.125 0.000 2.483 282 A HA 0.199 4.483 4.320 -0.060 0.000 0.238 282 A C 0.612 178.244 177.584 0.081 0.000 1.070 282 A CA 0.038 52.119 52.037 0.074 0.000 0.770 282 A CB 0.048 19.076 19.000 0.046 0.000 1.008 282 A HN 0.547 nan 8.150 nan 0.000 0.497 283 T N 1.667 116.274 114.554 0.087 0.000 2.821 283 T HA 0.489 4.803 4.350 -0.060 0.000 0.307 283 T C -0.252 174.538 174.700 0.151 0.000 1.034 283 T CA -0.409 61.755 62.100 0.107 0.000 0.953 283 T CB -0.335 68.595 68.868 0.104 0.000 0.968 283 T HN 0.546 nan 8.240 nan 0.000 0.462 284 S N 6.056 121.844 115.700 0.146 0.000 2.475 284 S HA 0.471 4.905 4.470 -0.060 0.000 0.281 284 S C 0.107 174.870 174.600 0.271 0.000 1.198 284 S CA -0.861 57.457 58.200 0.197 0.000 1.063 284 S CB 0.341 63.616 63.200 0.125 0.000 0.972 284 S HN 0.648 nan 8.310 nan 0.000 0.486 285 I N 3.321 124.062 120.570 0.284 0.000 2.312 285 I HA 0.232 4.366 4.170 -0.060 0.000 0.291 285 I C 0.605 176.824 176.117 0.170 0.000 1.031 285 I CA -0.319 61.146 61.300 0.275 0.000 1.293 285 I CB 0.717 38.956 38.000 0.399 0.000 1.403 285 I HN 0.709 nan 8.210 nan 0.000 0.484 286 Q N 6.394 126.261 119.800 0.111 0.000 2.314 286 Q HA 0.415 4.719 4.340 -0.060 0.000 0.258 286 Q C -1.061 174.862 176.000 -0.128 0.000 0.954 286 Q CA -0.167 55.494 55.803 -0.236 0.000 0.890 286 Q CB 1.021 29.588 28.738 -0.285 0.000 1.210 286 Q HN 0.560 nan 8.270 nan 0.000 0.410 287 I N 4.212 124.686 120.570 -0.161 0.000 2.355 287 I HA 0.227 4.361 4.170 -0.060 0.000 0.288 287 I C 0.076 176.155 176.117 -0.064 0.000 0.999 287 I CA -0.758 60.516 61.300 -0.043 0.000 1.163 287 I CB 1.622 39.627 38.000 0.009 0.000 1.316 287 I HN 0.707 nan 8.210 nan 0.000 0.454 288 T N 2.947 117.435 114.554 -0.110 0.000 2.913 288 T HA 0.653 4.967 4.350 -0.060 0.000 0.287 288 T C 0.348 174.838 174.700 -0.351 0.000 1.008 288 T CA -0.844 61.137 62.100 -0.199 0.000 1.067 288 T CB 1.635 70.392 68.868 -0.185 0.000 0.996 288 T HN 0.597 nan 8.240 nan 0.000 0.513 289 A N 3.599 125.982 122.820 -0.729 0.000 2.425 289 A HA 0.528 4.812 4.320 -0.060 0.000 0.242 289 A C -1.819 175.291 177.584 -0.790 0.000 1.077 289 A CA -1.379 49.822 52.037 -1.393 0.000 0.781 289 A CB -0.770 17.019 19.000 -2.017 0.000 1.020 289 A HN 0.786 nan 8.150 nan 0.000 0.494 290 P HA 0.112 nan 4.420 nan 0.000 0.269 290 P C 0.795 177.888 177.300 -0.346 0.000 1.217 290 P CA 0.610 63.483 63.100 -0.378 0.000 0.783 290 P CB 0.598 32.139 31.700 -0.265 0.000 0.898 291 A N 2.188 124.876 122.820 -0.221 0.000 1.940 291 A HA -0.194 4.090 4.320 -0.060 0.000 0.219 291 A C 2.192 179.676 177.584 -0.166 0.000 1.176 291 A CA 2.346 54.275 52.037 -0.180 0.000 0.631 291 A CB -1.777 17.151 19.000 -0.121 0.000 0.814 291 A HN 0.665 nan 8.150 nan 0.000 0.446 292 S N -1.317 114.306 115.700 -0.129 0.000 2.500 292 S HA -0.063 4.371 4.470 -0.060 0.000 0.239 292 S C 1.678 176.217 174.600 -0.102 0.000 0.989 292 S CA 1.459 59.612 58.200 -0.079 0.000 0.951 292 S CB -0.277 62.940 63.200 0.029 0.000 0.759 292 S HN 0.426 nan 8.310 nan 0.000 0.523 293 M N 0.536 119.998 119.600 -0.229 0.000 2.552 293 M HA 0.357 4.801 4.480 -0.060 0.000 0.264 293 M C 1.894 177.931 176.300 -0.437 0.000 1.159 293 M CA 0.602 55.694 55.300 -0.347 0.000 1.176 293 M CB -0.945 31.300 32.600 -0.591 0.000 1.327 293 M HN 0.320 nan 8.290 nan 0.000 0.481 294 L N 0.018 120.985 121.223 -0.427 0.000 2.362 294 L HA -0.137 4.167 4.340 -0.060 0.000 0.219 294 L C 2.211 179.025 176.870 -0.093 0.000 1.134 294 L CA 0.321 55.004 54.840 -0.262 0.000 0.807 294 L CB -0.596 41.319 42.059 -0.240 0.000 0.927 294 L HN 0.170 nan 8.230 nan 0.000 0.447 295 I N -0.372 120.140 120.570 -0.096 0.000 2.916 295 I HA 0.013 4.147 4.170 -0.060 0.000 0.267 295 I C 1.047 177.150 176.117 -0.022 0.000 1.263 295 I CA 0.464 61.729 61.300 -0.058 0.000 1.471 295 I CB -0.321 37.635 38.000 -0.073 0.000 1.089 295 I HN 0.133 nan 8.210 nan 0.000 0.468 296 G N -1.523 107.288 108.800 0.018 0.000 2.634 296 G HA2 0.220 4.144 3.960 -0.060 0.000 0.309 296 G HA3 0.220 4.144 3.960 -0.060 0.000 0.309 296 G C -1.594 173.364 174.900 0.097 0.000 1.299 296 G CA -0.684 44.436 45.100 0.033 0.000 0.798 296 G HN -0.112 nan 8.290 nan 0.000 0.490 297 D N 1.394 121.793 120.400 -0.001 0.000 2.424 297 D HA 0.430 5.034 4.640 -0.060 0.000 0.244 297 D C 0.251 176.477 176.300 -0.124 0.000 1.134 297 D CA 0.673 54.601 54.000 -0.121 0.000 0.881 297 D CB 0.465 41.168 40.800 -0.161 0.000 1.191 297 D HN 0.537 nan 8.370 nan 0.000 0.445 298 H N -0.526 118.404 119.070 -0.234 0.000 2.990 298 H HA 0.416 4.936 4.556 -0.060 0.000 0.336 298 H C -1.334 173.854 175.328 -0.235 0.000 1.306 298 H CA -0.804 55.123 56.048 -0.202 0.000 1.118 298 H CB 0.312 30.079 29.762 0.009 0.000 1.856 298 H HN 0.261 nan 8.280 nan 0.000 0.538 299 Y N 0.050 120.570 120.300 0.367 0.000 2.562 299 Y HA 0.419 4.933 4.550 -0.059 0.000 0.343 299 Y C -0.234 175.926 175.900 0.434 0.000 1.025 299 Y CA -1.228 57.081 58.100 0.349 0.000 1.082 299 Y CB 1.806 40.307 38.460 0.068 0.000 1.264 299 Y HN 0.470 nan 8.280 nan 0.000 0.478 300 L N 2.650 124.169 121.223 0.494 0.000 2.264 300 L HA 0.409 4.713 4.340 -0.060 0.000 0.289 300 L C 0.305 177.195 176.870 0.034 0.000 1.044 300 L CA -0.310 54.480 54.840 -0.084 0.000 0.807 300 L CB 0.452 42.336 42.059 -0.292 0.000 1.192 300 L HN 0.969 nan 8.230 nan 0.000 0.425 301 C N 0.808 120.032 119.300 -0.128 0.000 3.336 301 C HA 0.632 5.056 4.460 -0.060 0.000 0.291 301 C C 0.097 175.044 174.990 -0.072 0.000 1.363 301 C CA -0.319 58.605 59.018 -0.157 0.000 1.737 301 C CB -1.308 26.373 27.740 -0.098 0.000 2.274 301 C HN 0.883 nan 8.230 nan 0.000 0.663 302 D N -0.243 120.101 120.400 -0.093 0.000 2.787 302 D HA 0.521 5.125 4.640 -0.060 0.000 0.215 302 D C -1.492 174.575 176.300 -0.388 0.000 1.246 302 D CA -0.118 53.825 54.000 -0.095 0.000 0.798 302 D CB 2.086 42.810 40.800 -0.127 0.000 1.649 302 D HN 0.035 nan 8.370 nan 0.000 0.507 303 V N 2.509 122.118 119.914 -0.507 0.000 2.531 303 V HA 0.722 4.806 4.120 -0.060 0.000 0.301 303 V C -0.475 175.274 176.094 -0.575 0.000 1.034 303 V CA -0.499 61.281 62.300 -0.867 0.000 0.865 303 V CB 1.943 32.747 31.823 -1.698 0.000 0.995 303 V HN 0.705 nan 8.190 nan 0.000 0.424 304 T N 3.394 117.677 114.554 -0.452 0.000 3.050 304 T HA 0.318 4.632 4.350 -0.060 0.000 0.310 304 T C -0.813 173.766 174.700 -0.202 0.000 0.978 304 T CA -0.446 61.544 62.100 -0.184 0.000 1.013 304 T CB 0.636 69.476 68.868 -0.047 0.000 1.000 304 T HN 0.545 nan 8.240 nan 0.000 0.447 305 W N 2.235 123.487 121.300 -0.080 0.000 2.251 305 W HA 0.430 5.053 4.660 -0.061 0.000 0.327 305 W C 1.190 177.614 176.519 -0.158 0.000 1.361 305 W CA -0.227 57.068 57.345 -0.083 0.000 1.234 305 W CB 0.525 30.013 29.460 0.046 0.000 1.212 305 W HN 0.849 nan 8.180 nan 0.000 0.557 306 A N 2.210 124.960 122.820 -0.117 0.000 1.920 306 A HA 0.190 4.474 4.320 -0.060 0.000 0.209 306 A C 0.912 178.472 177.584 -0.039 0.000 1.229 306 A CA 1.503 53.251 52.037 -0.483 0.000 0.671 306 A CB -0.372 17.842 19.000 -1.310 0.000 0.886 306 A HN 0.525 nan 8.150 nan 0.000 0.461 307 T N -5.511 109.111 114.554 0.113 0.000 2.654 307 T HA 0.354 4.668 4.350 -0.060 0.000 0.289 307 T C 0.240 175.103 174.700 0.271 0.000 1.062 307 T CA -0.397 61.808 62.100 0.174 0.000 1.041 307 T CB 0.717 69.670 68.868 0.142 0.000 1.417 307 T HN -0.012 nan 8.240 nan 0.000 0.510 308 Q N 0.365 120.283 119.800 0.197 0.000 2.234 308 Q HA -0.048 4.256 4.340 -0.060 0.000 0.206 308 Q C 0.877 177.119 176.000 0.403 0.000 0.980 308 Q CA 1.641 57.557 55.803 0.188 0.000 0.869 308 Q CB -0.177 28.636 28.738 0.125 0.000 0.912 308 Q HN 0.822 nan 8.270 nan 0.000 0.436 309 E N -0.353 120.104 120.200 0.429 0.000 2.812 309 E HA 0.199 4.513 4.350 -0.060 0.000 0.211 309 E C -0.272 176.623 176.600 0.491 0.000 0.986 309 E CA -0.170 56.516 56.400 0.476 0.000 1.119 309 E CB 0.970 30.846 29.700 0.294 0.000 1.046 309 E HN -0.031 nan 8.360 nan 0.000 0.474 310 R N 1.627 122.436 120.500 0.515 0.000 2.515 310 R HA 0.479 4.783 4.340 -0.060 0.000 0.291 310 R C -1.805 174.529 176.300 0.057 0.000 1.046 310 R CA -0.428 55.831 56.100 0.266 0.000 0.914 310 R CB 1.233 31.576 30.300 0.071 0.000 1.191 310 R HN 0.086 nan 8.270 nan 0.000 0.435 311 I N 3.300 123.731 120.570 -0.232 0.000 2.569 311 I HA 0.444 4.578 4.170 -0.060 0.000 0.296 311 I C -0.864 174.944 176.117 -0.514 0.000 1.028 311 I CA -0.513 60.377 61.300 -0.685 0.000 1.082 311 I CB 2.187 39.320 38.000 -1.446 0.000 1.264 311 I HN 0.833 nan 8.210 nan 0.000 0.429 312 S N 7.442 122.838 115.700 -0.506 0.000 2.472 312 S HA 0.745 5.179 4.470 -0.060 0.000 0.303 312 S C -1.049 173.259 174.600 -0.487 0.000 1.099 312 S CA -0.732 57.248 58.200 -0.367 0.000 1.077 312 S CB 1.795 64.907 63.200 -0.147 0.000 1.031 312 S HN 0.435 nan 8.310 nan 0.000 0.487 313 L N 2.207 123.156 121.223 -0.457 0.000 2.365 313 L HA 0.545 4.849 4.340 -0.060 0.000 0.273 313 L C -0.270 176.334 176.870 -0.442 0.000 1.000 313 L CA -0.210 54.265 54.840 -0.608 0.000 0.819 313 L CB 1.899 43.547 42.059 -0.685 0.000 1.284 313 L HN 0.834 nan 8.230 nan 0.000 0.418 314 Q N 2.134 121.626 119.800 -0.514 0.000 2.331 314 Q HA 0.450 4.754 4.340 -0.060 0.000 0.267 314 Q C -1.635 174.138 176.000 -0.378 0.000 1.006 314 Q CA -0.471 55.144 55.803 -0.312 0.000 0.818 314 Q CB 2.082 30.691 28.738 -0.215 0.000 1.276 314 Q HN 0.485 nan 8.270 nan 0.000 0.450 315 W N 2.415 123.660 121.300 -0.092 0.000 2.639 315 W HA 0.647 5.272 4.660 -0.059 0.000 0.347 315 W C -0.844 175.690 176.519 0.025 0.000 1.067 315 W CA -0.675 56.661 57.345 -0.015 0.000 1.218 315 W CB 1.144 30.570 29.460 -0.056 0.000 1.393 315 W HN 0.395 nan 8.180 nan 0.000 0.557 316 L N 2.269 123.711 121.223 0.364 0.000 2.431 316 L HA 0.571 4.875 4.340 -0.060 0.000 0.266 316 L C -0.257 176.797 176.870 0.307 0.000 0.978 316 L CA -1.161 53.849 54.840 0.284 0.000 0.822 316 L CB 1.485 43.696 42.059 0.254 0.000 1.310 316 L HN 0.412 nan 8.230 nan 0.000 0.409 317 R N 2.421 123.068 120.500 0.245 0.000 2.641 317 R HA 0.242 4.546 4.340 -0.060 0.000 0.269 317 R C 1.038 177.408 176.300 0.115 0.000 1.074 317 R CA -0.099 56.102 56.100 0.169 0.000 1.133 317 R CB 0.636 31.031 30.300 0.158 0.000 1.029 317 R HN 0.676 nan 8.270 nan 0.000 0.488 318 R N 1.934 122.412 120.500 -0.037 0.000 2.105 318 R HA -0.097 4.207 4.340 -0.060 0.000 0.239 318 R C 0.265 176.621 176.300 0.094 0.000 1.135 318 R CA 1.301 57.369 56.100 -0.052 0.000 0.967 318 R CB -0.075 30.137 30.300 -0.148 0.000 0.861 318 R HN 0.503 nan 8.270 nan 0.000 0.442 319 I N 2.366 122.975 120.570 0.064 0.000 2.406 319 I HA -0.008 4.126 4.170 -0.060 0.000 0.293 319 I C 0.374 176.555 176.117 0.106 0.000 1.101 319 I CA 0.323 61.665 61.300 0.070 0.000 1.334 319 I CB 1.362 39.388 38.000 0.044 0.000 1.421 319 I HN 0.217 nan 8.210 nan 0.000 0.513 320 Q N 4.780 124.641 119.800 0.103 0.000 2.294 320 Q HA 0.006 4.310 4.340 -0.060 0.000 0.256 320 Q C 0.621 176.704 176.000 0.138 0.000 0.907 320 Q CA -0.094 55.785 55.803 0.127 0.000 0.954 320 Q CB -0.263 28.517 28.738 0.069 0.000 1.102 320 Q HN 0.677 nan 8.270 nan 0.000 0.429 321 N N -0.724 118.056 118.700 0.134 0.000 2.236 321 N HA -0.059 4.645 4.740 -0.060 0.000 0.196 321 N C -0.882 174.740 175.510 0.186 0.000 1.114 321 N CA -0.019 53.102 53.050 0.119 0.000 0.859 321 N CB 0.306 38.838 38.487 0.076 0.000 0.982 321 N HN 0.183 nan 8.380 nan 0.000 0.493 322 Y N 1.073 121.398 120.300 0.043 0.000 2.330 322 Y HA 0.498 5.012 4.550 -0.060 0.000 0.324 322 Y C -1.176 174.759 175.900 0.059 0.000 1.093 322 Y CA -1.017 57.106 58.100 0.038 0.000 1.103 322 Y CB 1.383 39.857 38.460 0.024 0.000 1.183 322 Y HN 0.141 nan 8.280 nan 0.000 0.433 323 S N 3.854 119.404 115.700 -0.250 0.000 2.570 323 S HA 0.912 5.346 4.470 -0.060 0.000 0.286 323 S C -1.757 172.692 174.600 -0.252 0.000 1.099 323 S CA -0.841 57.281 58.200 -0.130 0.000 0.913 323 S CB 2.079 65.259 63.200 -0.034 0.000 1.085 323 S HN 0.396 nan 8.310 nan 0.000 0.480 324 V N 2.868 122.738 119.914 -0.073 0.000 2.531 324 V HA 0.475 4.559 4.120 -0.060 0.000 0.301 324 V C -0.473 175.634 176.094 0.022 0.000 1.034 324 V CA -0.626 61.641 62.300 -0.054 0.000 0.865 324 V CB 1.784 33.597 31.823 -0.016 0.000 0.995 324 V HN 1.030 nan 8.190 nan 0.000 0.424 325 M N 4.327 123.913 119.600 -0.025 0.000 2.084 325 M HA 0.415 4.859 4.480 -0.060 0.000 0.351 325 M C -0.893 175.405 176.300 -0.002 0.000 1.240 325 M CA -0.281 54.986 55.300 -0.055 0.000 1.083 325 M CB 0.566 33.070 32.600 -0.160 0.000 1.593 325 M HN 0.587 nan 8.290 nan 0.000 0.463 326 D N 5.436 125.838 120.400 0.002 0.000 2.225 326 D HA 0.463 5.067 4.640 -0.060 0.000 0.249 326 D C -0.821 175.444 176.300 -0.060 0.000 1.052 326 D CA 0.088 54.086 54.000 -0.004 0.000 0.909 326 D CB 1.600 42.416 40.800 0.028 0.000 1.186 326 D HN 0.603 nan 8.370 nan 0.000 0.431 327 I N 2.137 122.697 120.570 -0.016 0.000 2.411 327 I HA 0.224 4.358 4.170 -0.060 0.000 0.284 327 I C -0.732 175.382 176.117 -0.005 0.000 1.012 327 I CA -0.478 60.809 61.300 -0.023 0.000 1.119 327 I CB 1.300 39.341 38.000 0.067 0.000 1.261 327 I HN 0.197 nan 8.210 nan 0.000 0.448 328 c N 4.066 122.652 118.600 -0.024 0.000 2.345 328 c HA 0.510 5.044 4.570 -0.060 0.000 0.323 328 c C -0.339 173.884 174.090 0.222 0.000 1.276 328 c CA -0.919 55.459 56.329 0.082 0.000 1.543 328 c CB 0.788 43.340 42.510 0.071 0.000 2.211 328 c HN 0.568 nan 8.230 nan 0.000 0.493 329 D N 0.697 121.206 120.400 0.182 0.000 2.193 329 D HA 0.245 4.849 4.640 -0.060 0.000 0.249 329 D C -0.586 175.675 176.300 -0.065 0.000 1.034 329 D CA -0.143 53.931 54.000 0.124 0.000 0.902 329 D CB 1.129 41.952 40.800 0.039 0.000 1.182 329 D HN 0.624 nan 8.370 nan 0.000 0.436 330 Y N 1.328 121.264 120.300 -0.607 0.000 2.335 330 Y HA 0.119 4.633 4.550 -0.060 0.000 0.331 330 Y C -0.028 175.556 175.900 -0.526 0.000 1.094 330 Y CA -0.018 57.358 58.100 -1.206 0.000 1.253 330 Y CB 0.730 38.267 38.460 -1.537 0.000 1.203 330 Y HN 0.166 nan 8.280 nan 0.000 0.508 331 D N 5.622 125.415 120.400 -1.010 0.000 2.329 331 D HA 0.089 4.693 4.640 -0.060 0.000 0.232 331 D C 0.242 176.000 176.300 -0.902 0.000 1.088 331 D CA -0.050 53.539 54.000 -0.685 0.000 0.835 331 D CB 1.179 41.732 40.800 -0.411 0.000 1.078 331 D HN 0.878 nan 8.370 nan 0.000 0.495 332 E N 1.105 120.988 120.200 -0.528 0.000 2.106 332 E HA -0.157 4.157 4.350 -0.060 0.000 0.192 332 E C 1.996 178.486 176.600 -0.182 0.000 0.984 332 E CA 0.933 57.156 56.400 -0.294 0.000 0.806 332 E CB 0.299 29.978 29.700 -0.035 0.000 0.750 332 E HN 0.512 nan 8.360 nan 0.000 0.458 333 S N 0.156 115.759 115.700 -0.161 0.000 2.368 333 S HA -0.117 4.317 4.470 -0.060 0.000 0.224 333 S C 2.133 176.670 174.600 -0.105 0.000 1.029 333 S CA 1.366 59.507 58.200 -0.098 0.000 0.988 333 S CB -0.115 63.039 63.200 -0.077 0.000 0.838 333 S HN 0.051 nan 8.310 nan 0.000 0.462 334 S N 1.142 116.741 115.700 -0.168 0.000 2.362 334 S HA 0.391 4.825 4.470 -0.060 0.000 0.221 334 S C 1.760 176.291 174.600 -0.116 0.000 1.032 334 S CA 0.632 58.751 58.200 -0.136 0.000 0.973 334 S CB -1.029 62.074 63.200 -0.161 0.000 0.849 334 S HN 1.321 nan 8.310 nan 0.000 0.465 335 G N 1.672 110.320 108.800 -0.253 0.000 2.132 335 G HA2 -0.208 3.716 3.960 -0.060 0.000 0.234 335 G HA3 -0.208 3.716 3.960 -0.060 0.000 0.234 335 G C 0.044 174.919 174.900 -0.041 0.000 0.989 335 G CA -0.115 44.938 45.100 -0.078 0.000 0.676 335 G HN 0.411 nan 8.290 nan 0.000 0.522 336 R N -1.812 118.517 120.500 -0.285 0.000 2.943 336 R HA 0.709 5.013 4.340 -0.060 0.000 0.246 336 R C -0.926 175.176 176.300 -0.329 0.000 1.201 336 R CA -0.856 55.178 56.100 -0.110 0.000 1.056 336 R CB 1.002 31.290 30.300 -0.021 0.000 1.243 336 R HN 0.130 nan 8.270 nan 0.000 0.498 337 W N 0.327 121.615 121.300 -0.020 0.000 2.632 337 W HA 0.403 5.027 4.660 -0.059 0.000 0.328 337 W C -0.639 175.852 176.519 -0.048 0.000 1.044 337 W CA -0.387 56.943 57.345 -0.024 0.000 1.225 337 W CB 1.425 30.878 29.460 -0.012 0.000 1.396 337 W HN 0.424 nan 8.180 nan 0.000 0.499 338 N N 1.918 120.703 118.700 0.141 0.000 2.352 338 N HA 0.501 5.205 4.740 -0.060 0.000 0.291 338 N C -1.700 173.847 175.510 0.060 0.000 1.040 338 N CA -0.641 52.445 53.050 0.059 0.000 0.864 338 N CB 1.284 39.764 38.487 -0.011 0.000 1.440 338 N HN 0.173 nan 8.380 nan 0.000 0.483 339 c N 2.611 121.232 118.600 0.034 0.000 2.251 339 c HA 0.424 4.958 4.570 -0.060 0.000 0.323 339 c C -0.084 174.005 174.090 -0.001 0.000 1.241 339 c CA -0.962 55.376 56.329 0.016 0.000 1.601 339 c CB -1.216 41.292 42.510 -0.004 0.000 2.251 339 c HN 0.549 nan 8.230 nan 0.000 0.488 340 L N 3.564 124.791 121.223 0.006 0.000 2.360 340 L HA 0.136 4.440 4.340 -0.060 0.000 0.276 340 L C 1.339 178.202 176.870 -0.012 0.000 1.121 340 L CA 0.444 55.283 54.840 -0.003 0.000 0.845 340 L CB 0.842 42.904 42.059 0.006 0.000 1.143 340 L HN 0.639 nan 8.230 nan 0.000 0.452 341 V N 3.449 123.348 119.914 -0.025 0.000 2.867 341 V HA -0.249 3.835 4.120 -0.060 0.000 0.260 341 V C 2.136 178.203 176.094 -0.044 0.000 1.099 341 V CA 1.609 63.887 62.300 -0.037 0.000 1.122 341 V CB -1.018 30.781 31.823 -0.040 0.000 0.708 341 V HN 0.979 nan 8.190 nan 0.000 0.490 342 A N 0.484 123.283 122.820 -0.036 0.000 1.930 342 A HA -0.129 4.155 4.320 -0.060 0.000 0.217 342 A C 2.326 179.872 177.584 -0.063 0.000 1.175 342 A CA 1.136 53.146 52.037 -0.045 0.000 0.627 342 A CB -0.319 18.666 19.000 -0.025 0.000 0.815 342 A HN 0.507 nan 8.150 nan 0.000 0.443 343 R N -0.193 120.296 120.500 -0.018 0.000 2.299 343 R HA 0.061 4.365 4.340 -0.060 0.000 0.197 343 R C 0.548 176.862 176.300 0.023 0.000 0.971 343 R CA -0.045 56.078 56.100 0.038 0.000 1.030 343 R CB -0.176 30.193 30.300 0.115 0.000 0.932 343 R HN 0.620 nan 8.270 nan 0.000 0.477 344 Q N 1.250 121.019 119.800 -0.051 0.000 2.274 344 Q HA -0.018 4.286 4.340 -0.060 0.000 0.280 344 Q C -1.026 174.884 176.000 -0.150 0.000 1.047 344 Q CA 0.559 56.340 55.803 -0.037 0.000 0.907 344 Q CB 0.430 29.139 28.738 -0.048 0.000 1.171 344 Q HN 0.202 nan 8.270 nan 0.000 0.381 345 H N 2.601 121.651 119.070 -0.033 0.000 2.524 345 H HA 0.480 5.000 4.556 -0.060 0.000 0.353 345 H C -0.787 174.488 175.328 -0.088 0.000 1.136 345 H CA -0.495 55.530 56.048 -0.039 0.000 1.193 345 H CB 1.233 30.960 29.762 -0.058 0.000 1.558 345 H HN 0.512 nan 8.280 nan 0.000 0.515 346 I N 1.787 122.364 120.570 0.012 0.000 2.404 346 I HA 0.248 4.382 4.170 -0.060 0.000 0.293 346 I C -0.314 175.747 176.117 -0.093 0.000 0.992 346 I CA -0.350 60.876 61.300 -0.123 0.000 1.149 346 I CB 1.590 39.496 38.000 -0.157 0.000 1.315 346 I HN 0.534 nan 8.210 nan 0.000 0.446 347 E N 8.120 128.218 120.200 -0.171 0.000 2.234 347 E HA 0.695 5.009 4.350 -0.060 0.000 0.266 347 E C -1.280 175.230 176.600 -0.150 0.000 0.877 347 E CA -0.707 55.636 56.400 -0.096 0.000 0.758 347 E CB 1.776 31.448 29.700 -0.047 0.000 1.170 347 E HN 0.627 nan 8.360 nan 0.000 0.415 348 M N 0.849 120.413 119.600 -0.061 0.000 2.755 348 M HA 0.614 5.058 4.480 -0.060 0.000 0.273 348 M C -1.379 174.930 176.300 0.016 0.000 1.278 348 M CA -0.910 54.386 55.300 -0.007 0.000 0.819 348 M CB 2.272 34.917 32.600 0.076 0.000 1.694 348 M HN 0.263 nan 8.290 nan 0.000 0.460 349 S N -0.653 115.058 115.700 0.018 0.000 2.541 349 S HA 0.610 5.044 4.470 -0.060 0.000 0.280 349 S C 0.144 174.723 174.600 -0.035 0.000 1.112 349 S CA 0.058 58.240 58.200 -0.030 0.000 0.925 349 S CB 1.905 65.042 63.200 -0.104 0.000 1.067 349 S HN 0.909 nan 8.310 nan 0.000 0.479 350 T N -0.211 114.317 114.554 -0.042 0.000 3.014 350 T HA 0.069 4.383 4.350 -0.060 0.000 0.250 350 T C 1.499 176.148 174.700 -0.084 0.000 1.060 350 T CA 0.851 62.926 62.100 -0.042 0.000 1.040 350 T CB -0.362 68.495 68.868 -0.018 0.000 0.971 350 T HN 0.664 nan 8.240 nan 0.000 0.497 351 T N -1.687 112.786 114.554 -0.135 0.000 3.037 351 T HA 0.591 4.905 4.350 -0.060 0.000 0.252 351 T C 1.194 175.587 174.700 -0.511 0.000 1.073 351 T CA 0.386 62.379 62.100 -0.179 0.000 1.091 351 T CB 0.340 69.208 68.868 -0.001 0.000 0.935 351 T HN 0.606 nan 8.240 nan 0.000 0.488 352 G N 0.459 108.778 108.800 -0.802 0.000 2.696 352 G HA2 0.468 4.392 3.960 -0.060 0.000 0.151 352 G HA3 0.468 4.392 3.960 -0.060 0.000 0.151 352 G C -1.673 172.960 174.900 -0.445 0.000 1.197 352 G CA -0.545 43.970 45.100 -0.975 0.000 1.053 352 G HN 0.492 nan 8.290 nan 0.000 0.546 353 W N -0.126 120.973 121.300 -0.335 0.000 2.367 353 W HA 0.768 5.392 4.660 -0.060 0.000 0.369 353 W C -0.039 176.456 176.519 -0.040 0.000 1.276 353 W CA -1.317 55.941 57.345 -0.144 0.000 1.415 353 W CB 0.936 30.292 29.460 -0.174 0.000 1.306 353 W HN 0.452 nan 8.180 nan 0.000 0.669 354 V N 3.310 123.300 119.914 0.126 0.000 2.432 354 V HA 0.730 4.814 4.120 -0.060 0.000 0.275 354 V C 0.472 176.640 176.094 0.123 0.000 1.043 354 V CA 0.541 62.872 62.300 0.052 0.000 0.925 354 V CB 0.123 31.973 31.823 0.045 0.000 0.985 354 V HN 1.677 nan 8.190 nan 0.000 0.466 355 G N 6.212 115.038 108.800 0.042 0.000 2.829 355 G HA2 -0.210 3.714 3.960 -0.060 0.000 0.628 355 G HA3 -0.210 3.714 3.960 -0.060 0.000 0.628 355 G C 0.287 175.275 174.900 0.146 0.000 1.412 355 G CA 0.258 45.411 45.100 0.088 0.000 0.864 355 G HN 0.914 nan 8.290 nan 0.000 0.544 356 R N -0.670 119.912 120.500 0.135 0.000 2.070 356 R HA 0.060 4.365 4.340 -0.060 0.000 0.233 356 R C 1.946 178.234 176.300 -0.020 0.000 1.137 356 R CA 2.309 58.456 56.100 0.079 0.000 0.945 356 R CB -0.105 30.261 30.300 0.110 0.000 0.845 356 R HN 0.508 nan 8.270 nan 0.000 0.430 357 F N -1.267 118.826 119.950 0.239 0.000 2.856 357 F HA 0.241 4.733 4.527 -0.058 0.000 0.338 357 F C 0.404 176.240 175.800 0.059 0.000 1.005 357 F CA -0.541 57.545 58.000 0.142 0.000 1.155 357 F CB 0.753 39.835 39.000 0.136 0.000 1.010 357 F HN -0.113 nan 8.300 nan 0.000 0.587 358 R N -0.870 119.782 120.500 0.253 0.000 2.733 358 R HA 0.508 4.812 4.340 -0.060 0.000 0.272 358 R C -3.291 173.080 176.300 0.119 0.000 1.029 358 R CA -2.024 54.150 56.100 0.124 0.000 0.888 358 R CB 0.271 30.596 30.300 0.043 0.000 1.251 358 R HN -0.365 nan 8.270 nan 0.000 0.464 359 P HA -0.004 nan 4.420 nan 0.000 0.265 359 P C -0.433 176.895 177.300 0.048 0.000 1.193 359 P CA 0.109 63.234 63.100 0.043 0.000 0.765 359 P CB 0.903 32.601 31.700 -0.003 0.000 0.823 360 S N 1.812 117.549 115.700 0.060 0.000 2.593 360 S HA 0.105 4.539 4.470 -0.060 0.000 0.269 360 S C 0.151 174.776 174.600 0.041 0.000 1.334 360 S CA -0.627 57.624 58.200 0.086 0.000 1.015 360 S CB 0.069 63.337 63.200 0.114 0.000 0.912 360 S HN 0.453 nan 8.310 nan 0.000 0.541 361 E N 3.764 124.008 120.200 0.073 0.000 2.301 361 E HA 0.379 4.693 4.350 -0.060 0.000 0.275 361 E C -2.778 173.822 176.600 -0.001 0.000 1.030 361 E CA -2.147 54.255 56.400 0.003 0.000 0.852 361 E CB 0.437 30.143 29.700 0.010 0.000 1.060 361 E HN 0.273 nan 8.360 nan 0.000 0.401 362 P HA 0.230 nan 4.420 nan 0.000 0.281 362 P C -0.712 176.496 177.300 -0.153 0.000 1.249 362 P CA -0.265 62.703 63.100 -0.220 0.000 0.810 362 P CB 0.671 31.874 31.700 -0.829 0.000 1.008 363 H N 1.710 120.793 119.070 0.021 0.000 2.792 363 H HA 0.283 4.803 4.556 -0.060 0.000 0.298 363 H C -0.232 175.223 175.328 0.212 0.000 1.042 363 H CA -0.347 55.806 56.048 0.174 0.000 1.300 363 H CB 0.214 30.105 29.762 0.214 0.000 1.431 363 H HN 0.303 nan 8.280 nan 0.000 0.496 364 F N 1.777 121.913 119.950 0.309 0.000 2.410 364 F HA 0.039 4.530 4.527 -0.060 0.000 0.334 364 F C 1.686 177.679 175.800 0.322 0.000 1.134 364 F CA -0.322 57.868 58.000 0.317 0.000 1.227 364 F CB 0.856 39.981 39.000 0.207 0.000 1.194 364 F HN 0.361 nan 8.300 nan 0.000 0.571 365 T N 0.270 115.127 114.554 0.504 0.000 2.813 365 T HA 0.127 4.441 4.350 -0.060 0.000 0.297 365 T C 1.068 175.961 174.700 0.322 0.000 1.036 365 T CA -0.798 61.532 62.100 0.384 0.000 1.044 365 T CB 0.778 69.852 68.868 0.343 0.000 0.993 365 T HN 0.585 nan 8.240 nan 0.000 0.535 366 L N 1.286 122.654 121.223 0.241 0.000 2.043 366 L HA -0.112 4.192 4.340 -0.060 0.000 0.212 366 L C 2.121 179.099 176.870 0.180 0.000 1.075 366 L CA 2.447 57.403 54.840 0.194 0.000 0.752 366 L CB -0.977 41.173 42.059 0.152 0.000 0.891 366 L HN 0.948 nan 8.230 nan 0.000 0.432 367 D N -1.297 119.210 120.400 0.180 0.000 2.363 367 D HA 0.039 4.643 4.640 -0.060 0.000 0.220 367 D C 1.632 178.036 176.300 0.174 0.000 0.994 367 D CA 0.759 54.854 54.000 0.157 0.000 0.890 367 D CB -0.653 40.230 40.800 0.138 0.000 0.906 367 D HN 0.422 nan 8.370 nan 0.000 0.530 368 G N 0.667 109.607 108.800 0.234 0.000 2.187 368 G HA2 -0.357 3.567 3.960 -0.060 0.000 0.261 368 G HA3 -0.357 3.567 3.960 -0.060 0.000 0.261 368 G C 0.836 175.925 174.900 0.316 0.000 1.000 368 G CA 0.461 45.715 45.100 0.256 0.000 0.718 368 G HN 0.378 nan 8.290 nan 0.000 0.519 369 N N -0.153 118.718 118.700 0.285 0.000 2.353 369 N HA 0.228 4.932 4.740 -0.060 0.000 0.185 369 N C 0.622 176.270 175.510 0.229 0.000 1.098 369 N CA 0.937 54.126 53.050 0.232 0.000 0.872 369 N CB 0.501 39.082 38.487 0.157 0.000 0.970 369 N HN 0.423 nan 8.380 nan 0.000 0.467 370 S N -0.507 115.368 115.700 0.292 0.000 2.638 370 S HA 0.730 5.164 4.470 -0.060 0.000 0.274 370 S C -1.262 173.456 174.600 0.198 0.000 1.157 370 S CA -0.810 57.456 58.200 0.110 0.000 0.826 370 S CB 1.727 64.991 63.200 0.107 0.000 1.139 370 S HN 0.202 nan 8.310 nan 0.000 0.474 371 F N -0.898 118.916 119.950 -0.227 0.000 2.668 371 F HA 0.779 5.270 4.527 -0.060 0.000 0.309 371 F C -2.136 173.507 175.800 -0.263 0.000 1.117 371 F CA -1.291 56.493 58.000 -0.359 0.000 0.951 371 F CB 0.680 39.049 39.000 -1.051 0.000 1.323 371 F HN 0.487 nan 8.300 nan 0.000 0.451 372 Y N 1.312 121.751 120.300 0.231 0.000 2.377 372 Y HA 0.688 5.202 4.550 -0.060 0.000 0.339 372 Y C -0.258 175.796 175.900 0.256 0.000 1.011 372 Y CA -0.805 57.419 58.100 0.206 0.000 1.093 372 Y CB 2.233 40.764 38.460 0.118 0.000 1.201 372 Y HN 0.765 nan 8.280 nan 0.000 0.455 373 K N 2.928 123.550 120.400 0.370 0.000 2.557 373 K HA 0.514 4.798 4.320 -0.060 0.000 0.261 373 K C -1.866 174.875 176.600 0.234 0.000 0.932 373 K CA -0.567 55.892 56.287 0.287 0.000 0.829 373 K CB 1.547 34.178 32.500 0.218 0.000 1.358 373 K HN 0.727 nan 8.250 nan 0.000 0.430 374 I N 6.266 126.946 120.570 0.182 0.000 2.396 374 I HA 0.256 4.390 4.170 -0.060 0.000 0.289 374 I C 0.236 176.445 176.117 0.153 0.000 1.056 374 I CA -0.321 61.069 61.300 0.150 0.000 1.365 374 I CB 0.310 38.382 38.000 0.120 0.000 1.407 374 I HN 0.488 nan 8.210 nan 0.000 0.509 375 I N 2.384 123.072 120.570 0.197 0.000 3.074 375 I HA 0.573 4.707 4.170 -0.060 0.000 0.310 375 I C -0.172 176.064 176.117 0.198 0.000 1.153 375 I CA -0.855 60.560 61.300 0.192 0.000 0.993 375 I CB 2.294 40.432 38.000 0.231 0.000 1.237 375 I HN 0.459 nan 8.210 nan 0.000 0.443 376 S N 2.371 118.132 115.700 0.102 0.000 2.523 376 S HA 0.299 4.733 4.470 -0.060 0.000 0.275 376 S C -0.095 174.542 174.600 0.060 0.000 1.281 376 S CA -0.781 57.425 58.200 0.011 0.000 1.050 376 S CB 0.352 63.495 63.200 -0.094 0.000 0.937 376 S HN 0.806 nan 8.310 nan 0.000 0.492 377 N N 1.729 120.359 118.700 -0.117 0.000 2.374 377 N HA 0.055 4.759 4.740 -0.060 0.000 0.284 377 N C 1.217 176.620 175.510 -0.177 0.000 1.280 377 N CA -0.393 52.434 53.050 -0.371 0.000 0.963 377 N CB 0.064 37.949 38.487 -1.003 0.000 1.141 377 N HN 0.689 nan 8.380 nan 0.000 0.565 378 E N -0.154 119.931 120.200 -0.193 0.000 2.118 378 E HA -0.296 4.018 4.350 -0.060 0.000 0.195 378 E C 0.849 177.399 176.600 -0.084 0.000 0.992 378 E CA 1.809 58.151 56.400 -0.096 0.000 0.804 378 E CB -0.719 28.932 29.700 -0.083 0.000 0.741 378 E HN 0.927 nan 8.360 nan 0.000 0.458 379 E N 0.280 120.429 120.200 -0.084 0.000 2.489 379 E HA 0.145 4.459 4.350 -0.060 0.000 0.193 379 E C 0.940 177.516 176.600 -0.039 0.000 1.057 379 E CA 0.510 56.904 56.400 -0.009 0.000 0.866 379 E CB -0.028 29.705 29.700 0.056 0.000 0.916 379 E HN 0.334 nan 8.360 nan 0.000 0.500 380 G N 0.413 109.137 108.800 -0.127 0.000 2.176 380 G HA2 -0.271 3.653 3.960 -0.060 0.000 0.232 380 G HA3 -0.271 3.653 3.960 -0.060 0.000 0.232 380 G C -0.382 174.258 174.900 -0.432 0.000 0.986 380 G CA 0.111 45.037 45.100 -0.289 0.000 0.643 380 G HN 0.294 nan 8.290 nan 0.000 0.522 381 Y N 0.534 120.707 120.300 -0.211 0.000 2.323 381 Y HA 0.647 5.160 4.550 -0.060 0.000 0.331 381 Y C 1.200 176.925 175.900 -0.293 0.000 1.092 381 Y CA -0.814 57.135 58.100 -0.252 0.000 1.150 381 Y CB 0.948 39.271 38.460 -0.228 0.000 1.200 381 Y HN 0.054 nan 8.280 nan 0.000 0.472 382 R N 3.814 124.167 120.500 -0.245 0.000 2.296 382 R HA 0.246 4.550 4.340 -0.060 0.000 0.323 382 R C -0.789 175.202 176.300 -0.516 0.000 1.067 382 R CA 0.001 55.956 56.100 -0.242 0.000 0.946 382 R CB 0.035 30.250 30.300 -0.142 0.000 0.991 382 R HN 0.663 nan 8.270 nan 0.000 0.448 383 H N 1.802 120.855 119.070 -0.029 0.000 2.949 383 H HA 0.312 4.832 4.556 -0.059 0.000 0.356 383 H C -0.229 175.170 175.328 0.119 0.000 1.212 383 H CA -0.981 55.035 56.048 -0.054 0.000 1.136 383 H CB 1.604 31.245 29.762 -0.202 0.000 1.869 383 H HN 0.319 nan 8.280 nan 0.000 0.556 384 I N 1.437 122.094 120.570 0.146 0.000 2.379 384 I HA 0.028 4.162 4.170 -0.060 0.000 0.290 384 I C 0.463 176.600 176.117 0.032 0.000 1.063 384 I CA 0.160 61.503 61.300 0.071 0.000 1.351 384 I CB 0.144 38.102 38.000 -0.069 0.000 1.410 384 I HN 0.151 nan 8.210 nan 0.000 0.505 385 c N 6.943 125.500 118.600 -0.072 0.000 2.358 385 c HA 0.361 4.895 4.570 -0.060 0.000 0.342 385 c C -0.254 173.666 174.090 -0.283 0.000 1.234 385 c CA -0.563 55.474 56.329 -0.488 0.000 1.969 385 c CB 0.571 42.523 42.510 -0.931 0.000 2.346 385 c HN 0.708 nan 8.230 nan 0.000 0.525 386 Y N 4.321 124.243 120.300 -0.631 0.000 2.331 386 Y HA 0.621 5.135 4.550 -0.060 0.000 0.338 386 Y C -1.034 174.381 175.900 -0.808 0.000 0.976 386 Y CA -0.650 57.049 58.100 -0.669 0.000 1.137 386 Y CB 0.420 38.573 38.460 -0.512 0.000 1.172 386 Y HN 0.663 nan 8.280 nan 0.000 0.478 387 F N 4.479 123.676 119.950 -1.255 0.000 2.469 387 F HA 0.375 4.866 4.527 -0.060 0.000 0.332 387 F C -0.198 174.874 175.800 -1.214 0.000 1.103 387 F CA -1.002 56.245 58.000 -1.254 0.000 0.979 387 F CB 1.514 39.488 39.000 -1.709 0.000 1.137 387 F HN 0.386 nan 8.300 nan 0.000 0.463 388 Q N 2.517 121.962 119.800 -0.591 0.000 2.259 388 Q HA 0.206 4.510 4.340 -0.060 0.000 0.246 388 Q C 1.015 176.988 176.000 -0.044 0.000 0.920 388 Q CA -0.304 55.306 55.803 -0.323 0.000 0.895 388 Q CB 1.987 30.595 28.738 -0.217 0.000 1.220 388 Q HN 0.766 nan 8.270 nan 0.000 0.439 389 I N 1.111 121.734 120.570 0.088 0.000 2.394 389 I HA -0.220 3.914 4.170 -0.060 0.000 0.251 389 I C 0.864 177.154 176.117 0.288 0.000 1.136 389 I CA 1.461 62.941 61.300 0.299 0.000 1.425 389 I CB 0.236 38.414 38.000 0.298 0.000 1.079 389 I HN 0.526 nan 8.210 nan 0.000 0.425 390 D N -0.010 120.472 120.400 0.137 0.000 2.342 390 D HA 0.072 4.676 4.640 -0.060 0.000 0.221 390 D C 0.267 176.579 176.300 0.019 0.000 1.101 390 D CA 0.177 54.217 54.000 0.067 0.000 0.837 390 D CB 0.384 41.207 40.800 0.039 0.000 0.938 390 D HN 0.067 nan 8.370 nan 0.000 0.508 391 K N 0.554 120.983 120.400 0.049 0.000 2.378 391 K HA 0.211 4.495 4.320 -0.060 0.000 0.252 391 K C 0.637 177.251 176.600 0.024 0.000 0.931 391 K CA -0.623 55.664 56.287 0.001 0.000 0.794 391 K CB 2.435 34.910 32.500 -0.041 0.000 1.181 391 K HN -0.384 nan 8.250 nan 0.000 0.425 392 K N 1.155 121.527 120.400 -0.046 0.000 2.025 392 K HA 0.037 4.321 4.320 -0.060 0.000 0.207 392 K C -0.365 176.254 176.600 0.031 0.000 1.049 392 K CA 1.486 57.752 56.287 -0.035 0.000 0.933 392 K CB 0.138 32.607 32.500 -0.052 0.000 0.714 392 K HN 0.637 nan 8.250 nan 0.000 0.438 393 D N 0.228 120.596 120.400 -0.053 0.000 2.256 393 D HA 0.095 4.699 4.640 -0.060 0.000 0.250 393 D C -0.172 175.939 176.300 -0.315 0.000 1.093 393 D CA -0.174 53.742 54.000 -0.140 0.000 0.882 393 D CB 1.038 41.765 40.800 -0.121 0.000 1.185 393 D HN 0.367 nan 8.370 nan 0.000 0.437 394 c N 0.342 118.603 118.600 -0.564 0.000 2.505 394 c HA 0.867 5.401 4.570 -0.060 0.000 0.358 394 c C 0.334 174.033 174.090 -0.651 0.000 1.226 394 c CA -0.774 54.994 56.329 -0.935 0.000 1.900 394 c CB 1.341 42.624 42.510 -2.045 0.000 2.306 394 c HN 0.586 nan 8.230 nan 0.000 0.512 395 T N 0.146 114.355 114.554 -0.574 0.000 2.829 395 T HA 0.624 4.938 4.350 -0.060 0.000 0.280 395 T C -1.009 173.450 174.700 -0.401 0.000 0.999 395 T CA -0.254 61.647 62.100 -0.331 0.000 0.983 395 T CB 0.379 69.198 68.868 -0.083 0.000 0.968 395 T HN 0.515 nan 8.240 nan 0.000 0.446 396 F N 4.490 124.320 119.950 -0.200 0.000 2.456 396 F HA 0.347 4.838 4.527 -0.060 0.000 0.358 396 F C 1.517 177.140 175.800 -0.295 0.000 1.095 396 F CA -0.812 57.052 58.000 -0.226 0.000 1.216 396 F CB 0.844 39.716 39.000 -0.214 0.000 1.125 396 F HN 0.649 nan 8.300 nan 0.000 0.549 397 I N -0.966 119.476 120.570 -0.213 0.000 4.035 397 I HA 0.216 4.351 4.170 -0.060 0.000 0.321 397 I C 0.325 176.260 176.117 -0.303 0.000 1.289 397 I CA 0.118 61.084 61.300 -0.555 0.000 1.236 397 I CB 0.209 37.644 38.000 -0.941 0.000 1.076 397 I HN 0.475 nan 8.210 nan 0.000 0.418 398 T N -0.399 114.029 114.554 -0.210 0.000 2.887 398 T HA 0.646 4.960 4.350 -0.060 0.000 0.288 398 T C -0.609 173.695 174.700 -0.660 0.000 1.021 398 T CA -0.704 61.246 62.100 -0.250 0.000 1.000 398 T CB 2.637 71.431 68.868 -0.124 0.000 1.034 398 T HN 0.203 nan 8.240 nan 0.000 0.467 399 K N 0.259 120.202 120.400 -0.762 0.000 2.480 399 K HA 0.817 5.102 4.320 -0.060 0.000 0.258 399 K C -0.367 175.667 176.600 -0.943 0.000 0.990 399 K CA -0.994 54.696 56.287 -0.995 0.000 0.857 399 K CB 2.383 34.614 32.500 -0.448 0.000 1.384 399 K HN 1.265 nan 8.250 nan 0.000 0.446 400 G N -0.288 107.998 108.800 -0.856 0.000 2.347 400 G HA2 -0.077 3.847 3.960 -0.060 0.000 0.477 400 G HA3 -0.077 3.847 3.960 -0.060 0.000 0.477 400 G C -0.596 173.820 174.900 -0.807 0.000 1.349 400 G CA -0.589 44.168 45.100 -0.571 0.000 1.000 400 G HN 0.533 nan 8.290 nan 0.000 0.605 401 T N -0.577 113.648 114.554 -0.547 0.000 3.843 401 T HA 0.551 4.865 4.350 -0.060 0.000 0.227 401 T C 0.250 174.759 174.700 -0.319 0.000 1.043 401 T CA 0.560 62.127 62.100 -0.888 0.000 1.012 401 T CB -0.893 67.692 68.868 -0.472 0.000 1.279 401 T HN 1.474 nan 8.240 nan 0.000 0.730 402 W N -0.457 120.657 121.300 -0.311 0.000 2.959 402 W HA 0.680 5.304 4.660 -0.060 0.000 0.358 402 W C -1.353 175.149 176.519 -0.029 0.000 1.228 402 W CA -1.008 56.306 57.345 -0.050 0.000 1.183 402 W CB 0.692 30.126 29.460 -0.044 0.000 1.467 402 W HN 0.124 nan 8.180 nan 0.000 0.578 403 E N 0.755 121.090 120.200 0.225 0.000 2.343 403 E HA 0.450 4.764 4.350 -0.060 0.000 0.270 403 E C -1.131 175.553 176.600 0.140 0.000 0.895 403 E CA -1.152 55.203 56.400 -0.076 0.000 0.767 403 E CB 3.395 33.114 29.700 0.032 0.000 1.248 403 E HN 0.165 nan 8.360 nan 0.000 0.440 404 V N 3.955 123.838 119.914 -0.051 0.000 2.488 404 V HA 0.026 4.110 4.120 -0.060 0.000 0.277 404 V C 1.289 177.483 176.094 0.167 0.000 1.046 404 V CA -0.116 62.272 62.300 0.147 0.000 0.986 404 V CB 0.534 32.370 31.823 0.021 0.000 0.989 404 V HN 0.679 nan 8.190 nan 0.000 0.475 405 I N 3.151 123.853 120.570 0.219 0.000 2.235 405 I HA 0.225 4.359 4.170 -0.060 0.000 0.241 405 I C 1.144 177.390 176.117 0.216 0.000 1.085 405 I CA 1.286 62.713 61.300 0.211 0.000 1.378 405 I CB -0.851 37.217 38.000 0.112 0.000 1.076 405 I HN 0.746 nan 8.210 nan 0.000 0.415 406 G N 0.689 109.618 108.800 0.214 0.000 2.703 406 G HA2 0.570 4.494 3.960 -0.060 0.000 0.294 406 G HA3 0.570 4.494 3.960 -0.060 0.000 0.294 406 G C -1.210 173.805 174.900 0.192 0.000 1.451 406 G CA -0.561 44.661 45.100 0.204 0.000 0.869 406 G HN -0.012 nan 8.290 nan 0.000 0.516 407 I N 1.623 122.254 120.570 0.101 0.000 2.371 407 I HA 0.246 4.380 4.170 -0.060 0.000 0.290 407 I C 0.673 176.757 176.117 -0.054 0.000 1.028 407 I CA -0.553 60.712 61.300 -0.059 0.000 1.345 407 I CB 1.683 39.434 38.000 -0.414 0.000 1.407 407 I HN 0.486 nan 8.210 nan 0.000 0.501 408 E N 4.827 125.059 120.200 0.053 0.000 2.290 408 E HA 0.326 4.640 4.350 -0.060 0.000 0.197 408 E C 0.198 176.806 176.600 0.012 0.000 0.948 408 E CA 0.262 56.750 56.400 0.146 0.000 0.895 408 E CB 0.734 30.613 29.700 0.299 0.000 0.865 408 E HN 0.691 nan 8.360 nan 0.000 0.486 409 A N 0.783 123.510 122.820 -0.154 0.000 2.605 409 A HA 0.647 4.931 4.320 -0.060 0.000 0.294 409 A C -1.614 175.930 177.584 -0.067 0.000 1.062 409 A CA -0.817 51.066 52.037 -0.257 0.000 0.682 409 A CB 1.033 19.432 19.000 -1.002 0.000 1.278 409 A HN 0.131 nan 8.150 nan 0.000 0.410 410 L N 0.137 121.359 121.223 -0.002 0.000 2.436 410 L HA 0.967 5.271 4.340 -0.060 0.000 0.268 410 L C -0.208 176.703 176.870 0.068 0.000 0.974 410 L CA -0.163 54.687 54.840 0.016 0.000 0.826 410 L CB 2.220 44.267 42.059 -0.020 0.000 1.291 410 L HN 1.028 nan 8.230 nan 0.000 0.406 411 T N -0.833 113.768 114.554 0.079 0.000 2.804 411 T HA 0.434 4.748 4.350 -0.060 0.000 0.272 411 T C 0.919 175.658 174.700 0.066 0.000 0.986 411 T CA 0.006 62.166 62.100 0.099 0.000 0.999 411 T CB 1.185 70.145 68.868 0.154 0.000 1.307 411 T HN 0.629 nan 8.240 nan 0.000 0.586 412 S N 0.398 116.138 115.700 0.067 0.000 2.399 412 S HA -0.066 4.368 4.470 -0.060 0.000 0.231 412 S C 1.181 175.761 174.600 -0.034 0.000 1.022 412 S CA 1.186 59.408 58.200 0.038 0.000 0.983 412 S CB -0.384 62.842 63.200 0.043 0.000 0.803 412 S HN 0.720 nan 8.310 nan 0.000 0.480 413 D N -1.195 119.168 120.400 -0.063 0.000 2.422 413 D HA 0.199 4.803 4.640 -0.060 0.000 0.218 413 D C -0.429 175.528 176.300 -0.571 0.000 1.047 413 D CA 0.574 54.405 54.000 -0.282 0.000 0.885 413 D CB 0.483 41.143 40.800 -0.233 0.000 1.035 413 D HN 0.341 nan 8.370 nan 0.000 0.502 414 Y N 0.207 120.423 120.300 -0.140 0.000 2.545 414 Y HA 0.399 4.913 4.550 -0.060 0.000 0.348 414 Y C -0.525 175.139 175.900 -0.394 0.000 1.002 414 Y CA -1.142 56.769 58.100 -0.314 0.000 1.039 414 Y CB 2.344 40.507 38.460 -0.495 0.000 1.271 414 Y HN -0.237 nan 8.280 nan 0.000 0.467 415 L N 3.084 124.127 121.223 -0.300 0.000 2.341 415 L HA 0.540 4.844 4.340 -0.060 0.000 0.278 415 L C -1.992 174.694 176.870 -0.308 0.000 1.005 415 L CA -1.034 53.626 54.840 -0.302 0.000 0.818 415 L CB 0.788 42.617 42.059 -0.382 0.000 1.259 415 L HN 0.653 nan 8.230 nan 0.000 0.418 416 Y N 5.872 126.117 120.300 -0.092 0.000 2.335 416 Y HA 0.573 5.088 4.550 -0.059 0.000 0.338 416 Y C -0.351 175.582 175.900 0.054 0.000 0.977 416 Y CA -0.450 57.606 58.100 -0.074 0.000 1.114 416 Y CB 1.508 39.809 38.460 -0.265 0.000 1.182 416 Y HN 0.571 nan 8.280 nan 0.000 0.463 417 Y N 1.168 121.544 120.300 0.127 0.000 2.571 417 Y HA 0.757 5.271 4.550 -0.060 0.000 0.341 417 Y C -1.703 174.298 175.900 0.169 0.000 1.076 417 Y CA -1.748 56.418 58.100 0.111 0.000 1.029 417 Y CB 1.146 39.646 38.460 0.066 0.000 1.308 417 Y HN 0.303 nan 8.280 nan 0.000 0.461 418 I N 3.670 124.382 120.570 0.238 0.000 2.385 418 I HA 0.546 4.680 4.170 -0.060 0.000 0.294 418 I C -0.009 176.274 176.117 0.277 0.000 0.988 418 I CA -0.221 61.175 61.300 0.160 0.000 1.265 418 I CB 1.486 39.547 38.000 0.102 0.000 1.388 418 I HN 0.899 nan 8.210 nan 0.000 0.480 419 S N 3.917 119.756 115.700 0.232 0.000 2.651 419 S HA 0.440 4.874 4.470 -0.060 0.000 0.279 419 S C -0.262 174.403 174.600 0.108 0.000 1.148 419 S CA -0.828 57.510 58.200 0.230 0.000 0.837 419 S CB 1.915 65.313 63.200 0.329 0.000 1.138 419 S HN 0.602 nan 8.310 nan 0.000 0.478 420 N N -0.392 118.373 118.700 0.107 0.000 2.321 420 N HA 0.145 4.849 4.740 -0.060 0.000 0.242 420 N C 0.616 176.118 175.510 -0.014 0.000 1.141 420 N CA -0.290 52.776 53.050 0.028 0.000 0.864 420 N CB 0.186 38.671 38.487 -0.004 0.000 1.100 420 N HN 0.795 nan 8.380 nan 0.000 0.510 421 E N 0.188 120.252 120.200 -0.227 0.000 2.051 421 E HA -0.208 4.106 4.350 -0.060 0.000 0.192 421 E C -0.388 176.066 176.600 -0.244 0.000 0.991 421 E CA 0.328 56.354 56.400 -0.623 0.000 0.799 421 E CB -0.127 28.589 29.700 -1.640 0.000 0.748 421 E HN 0.531 nan 8.360 nan 0.000 0.449 422 Y N 1.791 121.994 120.300 -0.161 0.000 2.852 422 Y HA -0.200 4.314 4.550 -0.060 0.000 0.343 422 Y C 0.390 176.254 175.900 -0.060 0.000 1.280 422 Y CA 1.062 59.119 58.100 -0.072 0.000 1.604 422 Y CB 0.115 38.562 38.460 -0.021 0.000 1.216 422 Y HN 0.103 nan 8.280 nan 0.000 0.541 423 K N 3.268 123.382 120.400 -0.477 0.000 3.349 423 K HA -0.247 4.037 4.320 -0.060 0.000 0.310 423 K C 0.754 177.290 176.600 -0.107 0.000 1.267 423 K CA 0.717 56.797 56.287 -0.346 0.000 0.920 423 K CB -1.929 30.335 32.500 -0.392 0.000 1.240 423 K HN 1.250 nan 8.250 nan 0.000 0.453 424 G N 1.001 109.751 108.800 -0.084 0.000 2.305 424 G HA2 -0.320 3.604 3.960 -0.060 0.000 0.287 424 G HA3 -0.320 3.604 3.960 -0.060 0.000 0.287 424 G C -0.020 174.880 174.900 0.000 0.000 1.036 424 G CA 0.862 45.962 45.100 -0.001 0.000 0.887 424 G HN 0.326 nan 8.290 nan 0.000 0.505 425 M N 0.714 120.245 119.600 -0.114 0.000 2.080 425 M HA 0.244 4.688 4.480 -0.060 0.000 0.350 425 M C -1.076 175.000 176.300 -0.373 0.000 1.143 425 M CA -2.096 52.984 55.300 -0.367 0.000 1.064 425 M CB 1.768 34.228 32.600 -0.235 0.000 1.429 425 M HN -0.056 nan 8.290 nan 0.000 0.418 426 P HA -0.049 nan 4.420 nan 0.000 0.230 426 P C 1.046 178.193 177.300 -0.255 0.000 1.158 426 P CA 1.046 63.974 63.100 -0.287 0.000 0.769 426 P CB 0.161 31.704 31.700 -0.263 0.000 0.807 427 G N -0.585 108.005 108.800 -0.350 0.000 3.042 427 G HA2 0.219 4.143 3.960 -0.060 0.000 0.212 427 G HA3 0.219 4.143 3.960 -0.060 0.000 0.212 427 G C 0.790 175.677 174.900 -0.021 0.000 1.166 427 G CA 0.165 45.181 45.100 -0.139 0.000 0.767 427 G HN 0.411 nan 8.290 nan 0.000 0.546 428 G N -0.217 108.520 108.800 -0.105 0.000 2.477 428 G HA2 0.601 4.525 3.960 -0.060 0.000 0.304 428 G HA3 0.601 4.525 3.960 -0.060 0.000 0.304 428 G C -0.706 174.072 174.900 -0.203 0.000 1.175 428 G CA -0.645 44.422 45.100 -0.055 0.000 0.907 428 G HN 0.088 nan 8.290 nan 0.000 0.509 429 R N 0.320 120.677 120.500 -0.239 0.000 2.522 429 R HA 0.341 4.645 4.340 -0.060 0.000 0.283 429 R C -1.352 174.907 176.300 -0.069 0.000 1.074 429 R CA -0.790 55.135 56.100 -0.292 0.000 0.925 429 R CB 1.834 31.695 30.300 -0.732 0.000 1.205 429 R HN 0.704 nan 8.270 nan 0.000 0.436 430 N N 0.516 119.197 118.700 -0.031 0.000 2.416 430 N HA 0.450 5.154 4.740 -0.060 0.000 0.276 430 N C -1.473 173.903 175.510 -0.224 0.000 1.261 430 N CA -0.815 52.134 53.050 -0.168 0.000 0.790 430 N CB 2.074 40.351 38.487 -0.350 0.000 1.554 430 N HN 0.264 nan 8.380 nan 0.000 0.481 431 L N 1.923 122.863 121.223 -0.472 0.000 2.292 431 L HA 0.527 4.831 4.340 -0.060 0.000 0.284 431 L C -1.586 174.894 176.870 -0.650 0.000 1.065 431 L CA 0.013 54.607 54.840 -0.411 0.000 0.806 431 L CB -0.067 41.747 42.059 -0.409 0.000 1.175 431 L HN 0.525 nan 8.230 nan 0.000 0.431 432 Y N 3.574 123.544 120.300 -0.550 0.000 2.602 432 Y HA 0.591 5.104 4.550 -0.060 0.000 0.342 432 Y C -0.376 175.234 175.900 -0.483 0.000 1.029 432 Y CA -0.851 56.879 58.100 -0.617 0.000 1.080 432 Y CB 1.783 39.651 38.460 -0.987 0.000 1.284 432 Y HN 0.474 nan 8.280 nan 0.000 0.485 433 K N 2.797 123.101 120.400 -0.161 0.000 2.541 433 K HA 0.535 4.819 4.320 -0.060 0.000 0.250 433 K C -2.134 174.468 176.600 0.004 0.000 0.950 433 K CA -0.489 55.654 56.287 -0.240 0.000 0.805 433 K CB 1.797 34.087 32.500 -0.351 0.000 1.166 433 K HN 0.812 nan 8.250 nan 0.000 0.430 434 I N 3.296 123.919 120.570 0.088 0.000 2.433 434 I HA 0.220 4.355 4.170 -0.060 0.000 0.292 434 I C -0.520 175.678 176.117 0.134 0.000 1.001 434 I CA -0.665 60.741 61.300 0.177 0.000 1.119 434 I CB 1.816 39.936 38.000 0.200 0.000 1.289 434 I HN 0.729 nan 8.210 nan 0.000 0.438 435 Q N 5.346 125.203 119.800 0.095 0.000 2.286 435 Q HA 0.098 4.402 4.340 -0.060 0.000 0.267 435 Q C 0.192 176.106 176.000 -0.143 0.000 1.028 435 Q CA -0.478 55.185 55.803 -0.234 0.000 0.901 435 Q CB 1.227 29.866 28.738 -0.164 0.000 1.183 435 Q HN 0.753 nan 8.270 nan 0.000 0.392 436 L N 3.063 124.137 121.223 -0.248 0.000 2.191 436 L HA -0.157 4.147 4.340 -0.060 0.000 0.212 436 L C 2.131 178.889 176.870 -0.186 0.000 1.103 436 L CA 1.779 56.554 54.840 -0.108 0.000 0.769 436 L CB -0.612 41.354 42.059 -0.155 0.000 0.908 436 L HN 0.740 nan 8.230 nan 0.000 0.438 437 S N -3.046 112.503 115.700 -0.251 0.000 2.548 437 S HA 0.089 4.523 4.470 -0.060 0.000 0.215 437 S C 0.467 174.872 174.600 -0.326 0.000 0.976 437 S CA -0.136 57.901 58.200 -0.271 0.000 0.908 437 S CB 0.149 63.233 63.200 -0.193 0.000 0.781 437 S HN 0.340 nan 8.310 nan 0.000 0.519 438 D N -0.051 120.166 120.400 -0.305 0.000 2.318 438 D HA 0.227 4.832 4.640 -0.060 0.000 0.233 438 D C -0.562 175.691 176.300 -0.079 0.000 1.348 438 D CA -0.505 53.353 54.000 -0.236 0.000 0.983 438 D CB 0.326 41.053 40.800 -0.123 0.000 1.416 438 D HN -0.028 nan 8.370 nan 0.000 0.558 439 Y N 0.878 121.157 120.300 -0.034 0.000 2.497 439 Y HA -0.082 4.432 4.550 -0.060 0.000 0.292 439 Y C 2.579 178.486 175.900 0.011 0.000 1.137 439 Y CA 1.359 59.450 58.100 -0.015 0.000 1.285 439 Y CB -0.820 37.631 38.460 -0.015 0.000 0.991 439 Y HN 0.423 nan 8.280 nan 0.000 0.556 440 T N -2.553 112.079 114.554 0.129 0.000 3.055 440 T HA -0.046 4.268 4.350 -0.060 0.000 0.265 440 T C 0.838 175.589 174.700 0.085 0.000 1.111 440 T CA 0.333 62.487 62.100 0.090 0.000 1.118 440 T CB -0.173 68.723 68.868 0.048 0.000 0.909 440 T HN 0.088 nan 8.240 nan 0.000 0.501 441 K N 2.307 122.758 120.400 0.086 0.000 2.222 441 K HA 0.429 4.713 4.320 -0.060 0.000 0.243 441 K C -1.105 175.572 176.600 0.129 0.000 1.160 441 K CA -0.219 56.122 56.287 0.089 0.000 1.090 441 K CB 0.790 33.330 32.500 0.068 0.000 1.694 441 K HN 0.199 nan 8.250 nan 0.000 0.361 442 V N 1.999 121.990 119.914 0.129 0.000 2.435 442 V HA 0.268 4.352 4.120 -0.060 0.000 0.290 442 V C 0.053 176.218 176.094 0.118 0.000 1.030 442 V CA -0.595 61.798 62.300 0.156 0.000 0.881 442 V CB 1.837 33.775 31.823 0.192 0.000 0.983 442 V HN 0.499 nan 8.190 nan 0.000 0.445 443 T N 3.164 117.766 114.554 0.080 0.000 2.812 443 T HA 0.251 4.565 4.350 -0.060 0.000 0.282 443 T C -0.459 174.178 174.700 -0.104 0.000 0.990 443 T CA -0.324 61.770 62.100 -0.010 0.000 0.960 443 T CB 1.336 70.168 68.868 -0.060 0.000 0.948 443 T HN 0.758 nan 8.240 nan 0.000 0.438 444 C N 5.046 124.212 119.300 -0.223 0.000 2.482 444 C HA 0.410 4.834 4.460 -0.060 0.000 0.378 444 C C 1.683 176.360 174.990 -0.521 0.000 1.284 444 C CA -0.552 58.077 59.018 -0.648 0.000 1.826 444 C CB -1.863 25.410 27.740 -0.778 0.000 2.473 444 C HN 0.991 nan 8.230 nan 0.000 0.562 445 L N 4.612 125.495 121.223 -0.567 0.000 2.446 445 L HA 0.071 4.375 4.340 -0.060 0.000 0.219 445 L C 2.175 178.730 176.870 -0.525 0.000 1.116 445 L CA 0.993 55.574 54.840 -0.433 0.000 0.844 445 L CB -0.207 41.636 42.059 -0.359 0.000 0.970 445 L HN 0.890 nan 8.230 nan 0.000 0.457 446 S N -3.270 112.002 115.700 -0.714 0.000 2.589 446 S HA -0.015 4.419 4.470 -0.060 0.000 0.235 446 S C 1.853 176.011 174.600 -0.736 0.000 1.051 446 S CA -0.104 57.552 58.200 -0.907 0.000 0.978 446 S CB -0.322 61.976 63.200 -1.502 0.000 0.929 446 S HN 0.284 nan 8.310 nan 0.000 0.523 447 C N 1.991 120.862 119.300 -0.716 0.000 2.385 447 C HA -0.027 4.397 4.460 -0.060 0.000 0.275 447 C C 2.436 177.114 174.990 -0.520 0.000 1.207 447 C CA 1.651 60.190 59.018 -0.799 0.000 1.760 447 C CB -1.016 26.097 27.740 -1.044 0.000 2.051 447 C HN 0.663 nan 8.230 nan 0.000 0.467 448 E N -0.528 119.464 120.200 -0.347 0.000 2.526 448 E HA 0.228 4.542 4.350 -0.060 0.000 0.208 448 E C 1.793 178.328 176.600 -0.108 0.000 0.997 448 E CA -0.151 56.145 56.400 -0.173 0.000 0.961 448 E CB -0.111 29.513 29.700 -0.126 0.000 1.030 448 E HN 0.513 nan 8.360 nan 0.000 0.483 449 L N 0.316 121.462 121.223 -0.129 0.000 2.013 449 L HA -0.115 4.189 4.340 -0.060 0.000 0.212 449 L C 0.826 177.697 176.870 0.001 0.000 1.073 449 L CA 1.031 55.838 54.840 -0.056 0.000 0.753 449 L CB 0.003 42.031 42.059 -0.051 0.000 0.890 449 L HN 0.138 nan 8.230 nan 0.000 0.432 450 N N -1.613 117.103 118.700 0.027 0.000 2.946 450 N HA 0.095 4.799 4.740 -0.060 0.000 0.213 450 N C -2.190 173.341 175.510 0.035 0.000 1.440 450 N CA -0.811 52.255 53.050 0.028 0.000 0.745 450 N CB 0.918 39.422 38.487 0.030 0.000 1.471 450 N HN -0.171 nan 8.380 nan 0.000 0.569 451 P HA -0.062 nan 4.420 nan 0.000 0.223 451 P C 0.906 178.243 177.300 0.062 0.000 1.151 451 P CA 0.912 64.047 63.100 0.057 0.000 0.787 451 P CB 0.848 32.596 31.700 0.080 0.000 0.788 452 E N 0.428 120.649 120.200 0.034 0.000 2.086 452 E HA -0.116 4.198 4.350 -0.060 0.000 0.190 452 E C 2.160 178.761 176.600 0.002 0.000 0.975 452 E CA 0.525 56.939 56.400 0.022 0.000 0.813 452 E CB 0.136 29.843 29.700 0.011 0.000 0.768 452 E HN 0.151 nan 8.360 nan 0.000 0.457 453 R N -1.040 119.448 120.500 -0.018 0.000 2.290 453 R HA 0.180 4.484 4.340 -0.060 0.000 0.197 453 R C -0.094 176.162 176.300 -0.074 0.000 0.913 453 R CA 0.260 56.327 56.100 -0.055 0.000 1.040 453 R CB 0.131 30.384 30.300 -0.079 0.000 0.992 453 R HN -0.062 nan 8.270 nan 0.000 0.500 454 c N 1.377 119.946 118.600 -0.052 0.000 2.356 454 c HA 0.423 4.957 4.570 -0.060 0.000 0.324 454 c C -0.205 173.871 174.090 -0.023 0.000 1.167 454 c CA -0.584 55.669 56.329 -0.128 0.000 1.420 454 c CB 1.127 43.537 42.510 -0.167 0.000 2.036 454 c HN 0.589 nan 8.230 nan 0.000 0.435 455 Q N 0.466 120.245 119.800 -0.035 0.000 2.103 455 Q HA 0.206 4.510 4.340 -0.060 0.000 0.219 455 Q C -0.943 175.116 176.000 0.098 0.000 0.784 455 Q CA 0.082 55.933 55.803 0.079 0.000 1.014 455 Q CB 1.314 30.117 28.738 0.109 0.000 1.183 455 Q HN 0.784 nan 8.270 nan 0.000 0.469 456 Y N 0.393 120.593 120.300 -0.168 0.000 2.373 456 Y HA 0.374 4.891 4.550 -0.056 0.000 0.327 456 Y C -1.684 174.075 175.900 -0.235 0.000 1.036 456 Y CA -1.047 56.980 58.100 -0.122 0.000 1.265 456 Y CB 0.750 39.150 38.460 -0.101 0.000 1.108 456 Y HN -0.070 nan 8.280 nan 0.000 0.471 457 Y N 2.592 122.843 120.300 -0.082 0.000 2.429 457 Y HA 0.623 5.139 4.550 -0.057 0.000 0.342 457 Y C 0.271 176.138 175.900 -0.055 0.000 1.004 457 Y CA -0.530 57.532 58.100 -0.064 0.000 1.075 457 Y CB 2.151 40.531 38.460 -0.133 0.000 1.214 457 Y HN 0.541 nan 8.280 nan 0.000 0.455 458 S N 1.280 117.075 115.700 0.159 0.000 2.677 458 S HA 0.876 5.310 4.470 -0.060 0.000 0.304 458 S C -1.375 173.296 174.600 0.118 0.000 1.108 458 S CA -0.818 57.460 58.200 0.131 0.000 0.944 458 S CB 1.982 65.272 63.200 0.149 0.000 1.127 458 S HN 0.553 nan 8.310 nan 0.000 0.511 459 V N 0.141 120.116 119.914 0.101 0.000 3.049 459 V HA 0.831 4.915 4.120 -0.060 0.000 0.309 459 V C -1.232 174.916 176.094 0.090 0.000 1.148 459 V CA -0.344 61.975 62.300 0.033 0.000 0.990 459 V CB 2.359 34.091 31.823 -0.151 0.000 1.039 459 V HN 1.105 nan 8.190 nan 0.000 0.430 460 S N 4.844 120.589 115.700 0.076 0.000 2.774 460 S HA 0.663 5.097 4.470 -0.060 0.000 0.297 460 S C -1.130 173.558 174.600 0.146 0.000 1.143 460 S CA -0.377 57.964 58.200 0.234 0.000 1.090 460 S CB 0.324 63.749 63.200 0.375 0.000 1.019 460 S HN 0.494 nan 8.310 nan 0.000 0.482 461 F N 3.002 122.981 119.950 0.047 0.000 2.371 461 F HA 0.421 4.913 4.527 -0.059 0.000 0.329 461 F C 1.411 176.760 175.800 -0.752 0.000 1.107 461 F CA -0.292 57.560 58.000 -0.248 0.000 1.137 461 F CB 1.263 40.138 39.000 -0.208 0.000 1.214 461 F HN 0.594 nan 8.300 nan 0.000 0.536 462 S N 1.236 116.352 115.700 -0.974 0.000 2.589 462 S HA 0.111 4.545 4.470 -0.060 0.000 0.265 462 S C 1.114 175.564 174.600 -0.249 0.000 1.342 462 S CA -0.789 56.764 58.200 -1.080 0.000 1.005 462 S CB 0.870 63.532 63.200 -0.897 0.000 0.909 462 S HN 0.665 nan 8.310 nan 0.000 0.555 463 K N 0.420 120.797 120.400 -0.037 0.000 2.304 463 K HA -0.158 4.126 4.320 -0.060 0.000 0.204 463 K C 1.262 177.899 176.600 0.061 0.000 1.044 463 K CA 2.105 58.435 56.287 0.072 0.000 0.932 463 K CB -0.158 32.410 32.500 0.114 0.000 0.735 463 K HN 0.833 nan 8.250 nan 0.000 0.468 464 E N -2.372 117.850 120.200 0.037 0.000 3.029 464 E HA 0.295 4.609 4.350 -0.060 0.000 0.196 464 E C -0.698 175.906 176.600 0.008 0.000 0.973 464 E CA 0.457 56.884 56.400 0.044 0.000 1.242 464 E CB 0.465 30.212 29.700 0.079 0.000 1.056 464 E HN 0.205 nan 8.360 nan 0.000 0.469 465 A N 0.751 123.554 122.820 -0.030 0.000 2.816 465 A HA -0.316 3.968 4.320 -0.060 0.000 0.270 465 A C 1.258 178.851 177.584 0.015 0.000 1.413 465 A CA 1.592 53.616 52.037 -0.021 0.000 0.866 465 A CB -1.753 17.051 19.000 -0.326 0.000 1.032 465 A HN 0.389 nan 8.150 nan 0.000 0.642 466 K N -2.177 118.198 120.400 -0.041 0.000 2.228 466 K HA 0.081 4.365 4.320 -0.060 0.000 0.202 466 K C 0.032 176.329 176.600 -0.506 0.000 1.051 466 K CA 1.347 57.508 56.287 -0.210 0.000 0.960 466 K CB 0.040 32.440 32.500 -0.167 0.000 0.743 466 K HN 0.721 nan 8.250 nan 0.000 0.458 467 Y N -0.770 119.483 120.300 -0.078 0.000 2.576 467 Y HA 0.313 4.827 4.550 -0.060 0.000 0.346 467 Y C -0.677 175.101 175.900 -0.203 0.000 1.018 467 Y CA -1.550 56.470 58.100 -0.132 0.000 1.050 467 Y CB 1.628 40.050 38.460 -0.064 0.000 1.280 467 Y HN -0.059 nan 8.280 nan 0.000 0.474 468 Y N -1.002 119.269 120.300 -0.049 0.000 2.544 468 Y HA 0.518 5.032 4.550 -0.061 0.000 0.342 468 Y C -1.269 174.671 175.900 0.066 0.000 1.062 468 Y CA -1.454 56.487 58.100 -0.264 0.000 1.023 468 Y CB 1.480 39.298 38.460 -1.070 0.000 1.308 468 Y HN 0.601 nan 8.280 nan 0.000 0.457 469 Q N 3.595 123.549 119.800 0.258 0.000 2.271 469 Q HA 0.580 4.884 4.340 -0.060 0.000 0.258 469 Q C -1.813 174.316 176.000 0.214 0.000 0.936 469 Q CA -0.748 55.172 55.803 0.196 0.000 0.909 469 Q CB 1.412 30.237 28.738 0.146 0.000 1.253 469 Q HN 0.969 nan 8.270 nan 0.000 0.440 470 L N 3.989 125.359 121.223 0.245 0.000 2.307 470 L HA 0.541 4.845 4.340 -0.060 0.000 0.284 470 L C -0.723 176.220 176.870 0.122 0.000 1.023 470 L CA -0.810 54.164 54.840 0.224 0.000 0.810 470 L CB 1.563 43.785 42.059 0.272 0.000 1.231 470 L HN 0.610 nan 8.230 nan 0.000 0.423 471 R N 2.229 122.753 120.500 0.041 0.000 2.310 471 R HA 0.373 4.677 4.340 -0.060 0.000 0.324 471 R C -0.851 175.268 176.300 -0.301 0.000 0.955 471 R CA -0.349 55.576 56.100 -0.290 0.000 0.830 471 R CB 1.420 31.568 30.300 -0.254 0.000 1.154 471 R HN 0.571 nan 8.270 nan 0.000 0.458 472 c N 2.180 120.475 118.600 -0.509 0.000 2.307 472 c HA 0.455 4.989 4.570 -0.060 0.000 0.340 472 c C 0.695 174.549 174.090 -0.393 0.000 1.275 472 c CA -0.309 55.630 56.329 -0.651 0.000 1.811 472 c CB 0.374 42.425 42.510 -0.765 0.000 2.372 472 c HN 0.947 nan 8.230 nan 0.000 0.531 473 S N 3.312 118.870 115.700 -0.235 0.000 2.540 473 S HA 0.554 4.988 4.470 -0.060 0.000 0.218 473 S C 0.641 175.198 174.600 -0.072 0.000 0.977 473 S CA 0.396 58.520 58.200 -0.126 0.000 0.918 473 S CB 0.232 63.364 63.200 -0.114 0.000 0.806 473 S HN 1.533 nan 8.310 nan 0.000 0.496 474 G N 1.803 110.547 108.800 -0.094 0.000 2.337 474 G HA2 0.215 4.139 3.960 -0.060 0.000 0.298 474 G HA3 0.215 4.139 3.960 -0.060 0.000 0.298 474 G C -2.953 171.926 174.900 -0.034 0.000 1.335 474 G CA -0.647 44.439 45.100 -0.025 0.000 0.875 474 G HN -0.172 nan 8.290 nan 0.000 0.579 475 P HA 0.112 nan 4.420 nan 0.000 0.226 475 P C 1.346 178.656 177.300 0.016 0.000 1.153 475 P CA 1.516 64.643 63.100 0.046 0.000 0.777 475 P CB 0.180 31.904 31.700 0.041 0.000 0.794 476 G N 0.511 109.257 108.800 -0.091 0.000 2.535 476 G HA2 0.340 4.264 3.960 -0.060 0.000 0.282 476 G HA3 0.340 4.264 3.960 -0.060 0.000 0.282 476 G C -0.506 174.160 174.900 -0.389 0.000 1.350 476 G CA -0.482 44.480 45.100 -0.229 0.000 1.039 476 G HN -0.039 nan 8.290 nan 0.000 0.509 477 L N 1.308 122.238 121.223 -0.490 0.000 2.490 477 L HA 0.197 4.501 4.340 -0.060 0.000 0.274 477 L C -1.645 175.100 176.870 -0.209 0.000 1.201 477 L CA -1.214 53.349 54.840 -0.463 0.000 0.869 477 L CB 0.125 41.983 42.059 -0.335 0.000 1.123 477 L HN 0.228 nan 8.230 nan 0.000 0.484 478 P HA 0.037 nan 4.420 nan 0.000 0.264 478 P C -0.927 176.339 177.300 -0.057 0.000 1.179 478 P CA 0.101 63.160 63.100 -0.068 0.000 0.763 478 P CB 0.454 32.220 31.700 0.110 0.000 0.806 479 L N 5.039 126.130 121.223 -0.220 0.000 2.438 479 L HA 0.476 4.780 4.340 -0.060 0.000 0.270 479 L C -1.708 175.008 176.870 -0.257 0.000 0.972 479 L CA -0.577 54.192 54.840 -0.117 0.000 0.831 479 L CB 1.165 43.163 42.059 -0.102 0.000 1.273 479 L HN 0.256 nan 8.230 nan 0.000 0.405 480 Y N 2.802 123.067 120.300 -0.059 0.000 2.328 480 Y HA 0.724 5.236 4.550 -0.062 0.000 0.336 480 Y C 0.315 176.113 175.900 -0.170 0.000 0.960 480 Y CA -0.587 57.462 58.100 -0.086 0.000 1.134 480 Y CB 2.199 40.596 38.460 -0.105 0.000 1.166 480 Y HN 0.649 nan 8.280 nan 0.000 0.464 481 T N 1.361 115.907 114.554 -0.013 0.000 2.896 481 T HA 0.665 4.980 4.350 -0.060 0.000 0.297 481 T C -1.357 173.177 174.700 -0.276 0.000 1.108 481 T CA -0.927 61.075 62.100 -0.163 0.000 1.004 481 T CB 1.847 70.658 68.868 -0.094 0.000 1.159 481 T HN 0.572 nan 8.240 nan 0.000 0.499 482 L N 1.960 122.887 121.223 -0.495 0.000 2.334 482 L HA 0.602 4.906 4.340 -0.060 0.000 0.276 482 L C -0.780 175.638 176.870 -0.753 0.000 1.014 482 L CA -0.834 53.755 54.840 -0.419 0.000 0.815 482 L CB 1.296 43.222 42.059 -0.221 0.000 1.268 482 L HN 0.831 nan 8.230 nan 0.000 0.428 483 H N 1.563 120.426 119.070 -0.345 0.000 2.851 483 H HA 0.296 4.816 4.556 -0.061 0.000 0.372 483 H C -0.785 174.312 175.328 -0.386 0.000 1.158 483 H CA -0.769 54.978 56.048 -0.503 0.000 1.159 483 H CB 2.228 31.369 29.762 -1.036 0.000 1.757 483 H HN 0.531 nan 8.280 nan 0.000 0.546 484 S N 0.379 116.034 115.700 -0.075 0.000 2.480 484 S HA 0.134 4.568 4.470 -0.060 0.000 0.286 484 S C 1.117 175.656 174.600 -0.103 0.000 1.180 484 S CA -0.332 57.782 58.200 -0.143 0.000 1.075 484 S CB 1.504 64.654 63.200 -0.084 0.000 0.996 484 S HN 0.686 nan 8.310 nan 0.000 0.487 485 S N 2.559 118.222 115.700 -0.061 0.000 2.489 485 S HA -0.082 4.352 4.470 -0.060 0.000 0.228 485 S C 1.622 176.249 174.600 0.044 0.000 0.995 485 S CA 0.533 58.821 58.200 0.146 0.000 0.934 485 S CB -0.595 62.726 63.200 0.202 0.000 0.771 485 S HN 0.750 nan 8.310 nan 0.000 0.522 486 V N 3.906 123.800 119.914 -0.035 0.000 2.255 486 V HA -0.230 3.854 4.120 -0.060 0.000 0.247 486 V C 1.679 177.770 176.094 -0.005 0.000 1.051 486 V CA 2.559 64.849 62.300 -0.017 0.000 1.018 486 V CB -0.807 30.997 31.823 -0.033 0.000 0.641 486 V HN 0.835 nan 8.190 nan 0.000 0.445 487 N N -2.024 116.673 118.700 -0.004 0.000 2.184 487 N HA 0.087 4.791 4.740 -0.060 0.000 0.206 487 N C 0.307 175.820 175.510 0.006 0.000 1.151 487 N CA 0.516 53.566 53.050 0.001 0.000 0.878 487 N CB 0.053 38.544 38.487 0.007 0.000 1.014 487 N HN 0.491 nan 8.380 nan 0.000 0.512 488 D N 0.078 120.493 120.400 0.024 0.000 2.882 488 D HA -0.220 4.384 4.640 -0.060 0.000 0.229 488 D C -0.343 175.984 176.300 0.045 0.000 1.167 488 D CA 1.105 55.138 54.000 0.054 0.000 0.759 488 D CB -1.039 39.776 40.800 0.027 0.000 1.088 488 D HN 0.776 nan 8.370 nan 0.000 0.425 489 K N -0.169 120.254 120.400 0.038 0.000 2.144 489 K HA 0.509 4.793 4.320 -0.060 0.000 0.270 489 K C 0.628 177.267 176.600 0.064 0.000 1.005 489 K CA -0.382 55.931 56.287 0.043 0.000 0.932 489 K CB 1.301 33.814 32.500 0.021 0.000 1.021 489 K HN -0.064 nan 8.250 nan 0.000 0.462 490 G N 3.161 112.000 108.800 0.064 0.000 2.354 490 G HA2 0.169 4.093 3.960 -0.060 0.000 0.266 490 G HA3 0.169 4.093 3.960 -0.060 0.000 0.266 490 G C 0.377 175.202 174.900 -0.124 0.000 1.242 490 G CA -0.707 44.347 45.100 -0.075 0.000 0.923 490 G HN 0.694 nan 8.290 nan 0.000 0.476 491 L N 1.953 123.056 121.223 -0.201 0.000 2.168 491 L HA 0.300 4.605 4.340 -0.060 0.000 0.203 491 L C 1.556 178.352 176.870 -0.124 0.000 1.078 491 L CA 0.688 55.465 54.840 -0.106 0.000 0.780 491 L CB -0.179 41.849 42.059 -0.052 0.000 0.939 491 L HN 0.736 nan 8.230 nan 0.000 0.451 492 R N -1.587 118.791 120.500 -0.203 0.000 2.739 492 R HA 0.368 4.672 4.340 -0.060 0.000 0.266 492 R C -1.601 174.561 176.300 -0.230 0.000 1.044 492 R CA -0.848 55.145 56.100 -0.179 0.000 0.885 492 R CB 1.272 31.485 30.300 -0.145 0.000 1.260 492 R HN -0.277 nan 8.270 nan 0.000 0.477 493 V N 3.523 123.330 119.914 -0.178 0.000 2.455 493 V HA 0.132 4.216 4.120 -0.060 0.000 0.273 493 V C 1.365 177.310 176.094 -0.249 0.000 1.045 493 V CA -0.219 61.977 62.300 -0.173 0.000 0.976 493 V CB 0.924 32.684 31.823 -0.105 0.000 0.993 493 V HN 0.661 nan 8.190 nan 0.000 0.475 494 L N 2.525 123.536 121.223 -0.354 0.000 2.221 494 L HA 0.313 4.617 4.340 -0.060 0.000 0.202 494 L C 0.763 177.360 176.870 -0.455 0.000 1.074 494 L CA 0.666 55.097 54.840 -0.683 0.000 0.795 494 L CB 0.223 41.534 42.059 -1.248 0.000 0.960 494 L HN 0.680 nan 8.230 nan 0.000 0.458 495 E N 0.018 120.107 120.200 -0.185 0.000 2.307 495 E HA 0.108 4.422 4.350 -0.060 0.000 0.280 495 E C -1.183 175.466 176.600 0.082 0.000 0.900 495 E CA -0.379 56.014 56.400 -0.010 0.000 0.790 495 E CB 1.163 30.864 29.700 0.002 0.000 1.261 495 E HN 0.166 nan 8.360 nan 0.000 0.405 496 D N 3.099 123.523 120.400 0.039 0.000 2.469 496 D HA 0.117 4.721 4.640 -0.060 0.000 0.215 496 D C -0.376 175.940 176.300 0.027 0.000 1.154 496 D CA -0.293 53.724 54.000 0.029 0.000 0.832 496 D CB -0.087 40.710 40.800 -0.005 0.000 1.008 496 D HN 0.442 nan 8.370 nan 0.000 0.506 497 N N 0.640 119.370 118.700 0.050 0.000 2.727 497 N HA -0.192 4.512 4.740 -0.060 0.000 0.249 497 N C 0.727 176.251 175.510 0.023 0.000 1.048 497 N CA 0.902 53.979 53.050 0.046 0.000 0.714 497 N CB -1.136 37.380 38.487 0.048 0.000 0.959 497 N HN 0.465 nan 8.380 nan 0.000 0.544 498 S N -1.069 114.643 115.700 0.021 0.000 2.387 498 S HA 0.014 4.448 4.470 -0.060 0.000 0.226 498 S C 2.126 176.743 174.600 0.030 0.000 1.026 498 S CA 0.732 58.941 58.200 0.015 0.000 0.972 498 S CB -0.084 63.121 63.200 0.009 0.000 0.814 498 S HN 0.535 nan 8.310 nan 0.000 0.477 499 A N 2.005 124.849 122.820 0.041 0.000 1.908 499 A HA -0.007 4.277 4.320 -0.060 0.000 0.218 499 A C 2.206 179.837 177.584 0.080 0.000 1.181 499 A CA 1.659 53.729 52.037 0.054 0.000 0.627 499 A CB -0.840 18.191 19.000 0.053 0.000 0.818 499 A HN 0.465 nan 8.150 nan 0.000 0.445 500 L N 0.106 121.382 121.223 0.089 0.000 2.093 500 L HA -0.106 4.198 4.340 -0.060 0.000 0.208 500 L C 1.942 178.869 176.870 0.095 0.000 1.085 500 L CA 2.624 57.542 54.840 0.130 0.000 0.755 500 L CB -0.604 41.535 42.059 0.134 0.000 0.904 500 L HN 0.472 nan 8.230 nan 0.000 0.435 501 D N -0.525 119.896 120.400 0.036 0.000 2.123 501 D HA -0.234 4.370 4.640 -0.060 0.000 0.196 501 D C 2.099 178.418 176.300 0.033 0.000 0.992 501 D CA 1.529 55.532 54.000 0.005 0.000 0.833 501 D CB 0.068 40.856 40.800 -0.021 0.000 0.954 501 D HN 0.323 nan 8.370 nan 0.000 0.455 502 K N -0.668 119.762 120.400 0.050 0.000 2.026 502 K HA -0.092 4.192 4.320 -0.060 0.000 0.208 502 K C 2.341 178.997 176.600 0.094 0.000 1.048 502 K CA 1.213 57.535 56.287 0.059 0.000 0.929 502 K CB -0.137 32.395 32.500 0.054 0.000 0.713 502 K HN 0.256 nan 8.250 nan 0.000 0.439 503 M N 0.126 119.811 119.600 0.142 0.000 2.175 503 M HA -0.137 4.307 4.480 -0.060 0.000 0.264 503 M C 1.660 178.106 176.300 0.244 0.000 1.063 503 M CA 1.058 56.500 55.300 0.237 0.000 1.119 503 M CB -0.053 32.758 32.600 0.353 0.000 1.377 503 M HN 0.067 nan 8.290 nan 0.000 0.415 504 L N 0.123 121.428 121.223 0.137 0.000 2.291 504 L HA -0.112 4.192 4.340 -0.060 0.000 0.214 504 L C 2.267 179.155 176.870 0.031 0.000 1.120 504 L CA 1.556 56.409 54.840 0.022 0.000 0.799 504 L CB -1.098 40.946 42.059 -0.025 0.000 0.925 504 L HN 0.368 nan 8.230 nan 0.000 0.446 505 Q N -0.548 119.283 119.800 0.051 0.000 2.325 505 Q HA -0.258 4.046 4.340 -0.060 0.000 0.211 505 Q C 1.533 177.570 176.000 0.061 0.000 0.988 505 Q CA 1.740 57.570 55.803 0.044 0.000 0.887 505 Q CB -0.065 28.701 28.738 0.047 0.000 0.915 505 Q HN 0.617 nan 8.270 nan 0.000 0.440 506 N N -1.326 117.424 118.700 0.083 0.000 2.171 506 N HA 0.115 4.819 4.740 -0.060 0.000 0.212 506 N C -1.159 174.411 175.510 0.100 0.000 1.184 506 N CA -0.315 52.797 53.050 0.104 0.000 0.888 506 N CB 1.060 39.624 38.487 0.128 0.000 1.038 506 N HN -0.112 nan 8.380 nan 0.000 0.517 507 V N 1.711 121.667 119.914 0.069 0.000 2.472 507 V HA 0.219 4.303 4.120 -0.060 0.000 0.290 507 V C -0.036 176.074 176.094 0.027 0.000 1.037 507 V CA -0.671 61.661 62.300 0.053 0.000 0.908 507 V CB 1.642 33.453 31.823 -0.020 0.000 0.985 507 V HN 0.129 nan 8.190 nan 0.000 0.454 508 Q N 4.304 124.131 119.800 0.045 0.000 2.641 508 Q HA 0.293 4.597 4.340 -0.060 0.000 0.225 508 Q C -0.389 175.595 176.000 -0.027 0.000 1.309 508 Q CA -0.156 55.650 55.803 0.004 0.000 0.935 508 Q CB 0.268 29.040 28.738 0.055 0.000 1.557 508 Q HN 0.552 nan 8.270 nan 0.000 0.563 509 M N 3.281 122.846 119.600 -0.059 0.000 2.255 509 M HA 0.349 4.793 4.480 -0.060 0.000 0.336 509 M C -1.987 174.254 176.300 -0.099 0.000 1.135 509 M CA -2.475 52.779 55.300 -0.076 0.000 1.145 509 M CB -0.010 32.548 32.600 -0.071 0.000 1.473 509 M HN 0.274 nan 8.290 nan 0.000 0.462 510 P HA 0.230 nan 4.420 nan 0.000 0.276 510 P C -0.722 176.509 177.300 -0.115 0.000 1.252 510 P CA -0.329 62.694 63.100 -0.130 0.000 0.802 510 P CB 0.568 32.177 31.700 -0.152 0.000 1.035 511 S N -0.503 115.115 115.700 -0.137 0.000 2.766 511 S HA 0.602 5.036 4.470 -0.060 0.000 0.307 511 S C -0.505 174.013 174.600 -0.137 0.000 1.121 511 S CA -0.766 57.366 58.200 -0.114 0.000 0.980 511 S CB 1.639 64.771 63.200 -0.115 0.000 1.159 511 S HN 0.507 nan 8.310 nan 0.000 0.546 512 K N 0.382 120.723 120.400 -0.099 0.000 2.397 512 K HA 0.391 4.675 4.320 -0.060 0.000 0.253 512 K C -1.430 175.117 176.600 -0.087 0.000 0.932 512 K CA -0.519 55.712 56.287 -0.093 0.000 0.795 512 K CB 1.503 33.976 32.500 -0.045 0.000 1.159 512 K HN 0.726 nan 8.250 nan 0.000 0.424 513 K N 5.690 126.029 120.400 -0.101 0.000 2.265 513 K HA 0.300 4.584 4.320 -0.060 0.000 0.267 513 K C -1.227 175.341 176.600 -0.054 0.000 0.994 513 K CA -0.608 55.636 56.287 -0.073 0.000 0.860 513 K CB 0.907 33.356 32.500 -0.085 0.000 1.099 513 K HN 0.548 nan 8.250 nan 0.000 0.448 514 L N 4.640 125.844 121.223 -0.032 0.000 2.305 514 L HA 0.452 4.756 4.340 -0.060 0.000 0.284 514 L C -1.123 175.741 176.870 -0.009 0.000 1.013 514 L CA -0.168 54.674 54.840 0.003 0.000 0.819 514 L CB 1.229 43.354 42.059 0.110 0.000 1.227 514 L HN 0.869 nan 8.230 nan 0.000 0.417 515 D N 2.744 122.973 120.400 -0.286 0.000 2.768 515 D HA 0.434 5.038 4.640 -0.060 0.000 0.327 515 D C -1.462 174.437 176.300 -0.668 0.000 1.302 515 D CA -0.048 53.683 54.000 -0.449 0.000 0.897 515 D CB 2.066 42.587 40.800 -0.464 0.000 1.420 515 D HN 0.203 nan 8.370 nan 0.000 0.494 516 F N -0.098 119.471 119.950 -0.635 0.000 2.631 516 F HA 0.787 5.278 4.527 -0.061 0.000 0.328 516 F C -0.628 175.205 175.800 0.055 0.000 1.067 516 F CA -1.092 56.616 58.000 -0.488 0.000 0.969 516 F CB 0.899 39.162 39.000 -1.228 0.000 1.332 516 F HN 0.255 nan 8.300 nan 0.000 0.490 517 I N 0.381 121.219 120.570 0.448 0.000 2.647 517 I HA 0.566 4.700 4.170 -0.060 0.000 0.295 517 I C -1.242 175.115 176.117 0.399 0.000 1.078 517 I CA -1.192 60.324 61.300 0.360 0.000 1.048 517 I CB 2.230 40.400 38.000 0.283 0.000 1.239 517 I HN 0.454 nan 8.210 nan 0.000 0.421 518 I N 5.999 126.744 120.570 0.293 0.000 2.352 518 I HA 0.425 4.559 4.170 -0.060 0.000 0.290 518 I C -0.363 175.885 176.117 0.218 0.000 1.036 518 I CA -0.272 61.161 61.300 0.223 0.000 1.336 518 I CB 0.748 38.843 38.000 0.158 0.000 1.407 518 I HN 0.523 nan 8.210 nan 0.000 0.497 519 L N 6.381 127.781 121.223 0.295 0.000 2.409 519 L HA 0.416 4.720 4.340 -0.060 0.000 0.272 519 L C 0.397 177.411 176.870 0.240 0.000 0.980 519 L CA -0.726 54.277 54.840 0.272 0.000 0.826 519 L CB 1.587 43.847 42.059 0.334 0.000 1.268 519 L HN 0.550 nan 8.230 nan 0.000 0.407 520 N N 3.245 122.022 118.700 0.128 0.000 2.707 520 N HA -0.213 4.491 4.740 -0.060 0.000 0.253 520 N C -0.079 175.470 175.510 0.065 0.000 0.998 520 N CA 1.386 54.486 53.050 0.083 0.000 0.751 520 N CB -0.483 38.048 38.487 0.073 0.000 0.920 520 N HN 0.843 nan 8.380 nan 0.000 0.539 521 E N -2.787 117.445 120.200 0.054 0.000 2.586 521 E HA -0.233 4.081 4.350 -0.060 0.000 0.259 521 E C -0.742 175.845 176.600 -0.021 0.000 1.107 521 E CA 1.212 57.624 56.400 0.019 0.000 0.754 521 E CB -1.498 28.206 29.700 0.007 0.000 1.335 521 E HN 0.470 nan 8.360 nan 0.000 0.411 522 T N 0.330 114.867 114.554 -0.028 0.000 2.881 522 T HA 0.376 4.690 4.350 -0.060 0.000 0.290 522 T C -0.262 174.248 174.700 -0.316 0.000 1.000 522 T CA -1.038 60.935 62.100 -0.212 0.000 0.978 522 T CB 1.662 70.342 68.868 -0.314 0.000 0.997 522 T HN 0.008 nan 8.240 nan 0.000 0.443 523 K N 1.994 122.156 120.400 -0.397 0.000 2.368 523 K HA 0.482 4.766 4.320 -0.060 0.000 0.282 523 K C -1.061 175.233 176.600 -0.510 0.000 1.035 523 K CA -0.144 55.914 56.287 -0.381 0.000 0.973 523 K CB 0.372 32.501 32.500 -0.619 0.000 0.957 523 K HN 0.406 nan 8.250 nan 0.000 0.474 524 F N 1.852 121.838 119.950 0.060 0.000 2.536 524 F HA 0.293 4.784 4.527 -0.061 0.000 0.322 524 F C -0.636 175.238 175.800 0.123 0.000 1.144 524 F CA -0.812 57.236 58.000 0.080 0.000 0.924 524 F CB 0.921 39.977 39.000 0.093 0.000 1.181 524 F HN 0.446 nan 8.300 nan 0.000 0.438 525 W N 3.792 125.223 121.300 0.219 0.000 2.237 525 W HA 0.496 5.119 4.660 -0.060 0.000 0.335 525 W C -0.567 176.130 176.519 0.298 0.000 1.230 525 W CA -0.383 57.106 57.345 0.240 0.000 1.253 525 W CB 0.565 30.107 29.460 0.136 0.000 1.129 525 W HN 0.447 nan 8.180 nan 0.000 0.590 526 Y N -0.348 120.284 120.300 0.553 0.000 2.571 526 Y HA 0.567 5.081 4.550 -0.061 0.000 0.341 526 Y C -1.021 175.113 175.900 0.391 0.000 1.076 526 Y CA -1.916 56.507 58.100 0.538 0.000 1.029 526 Y CB 0.988 39.924 38.460 0.794 0.000 1.308 526 Y HN 0.571 nan 8.280 nan 0.000 0.461 527 Q N 2.917 122.958 119.800 0.402 0.000 2.377 527 Q HA 0.761 5.065 4.340 -0.060 0.000 0.271 527 Q C -1.724 174.406 176.000 0.216 0.000 1.077 527 Q CA -1.156 54.770 55.803 0.206 0.000 0.820 527 Q CB 3.179 31.998 28.738 0.136 0.000 1.347 527 Q HN 0.883 nan 8.270 nan 0.000 0.444 528 M N 2.727 122.381 119.600 0.091 0.000 2.259 528 M HA 0.398 4.842 4.480 -0.060 0.000 0.304 528 M C -1.211 175.018 176.300 -0.117 0.000 1.019 528 M CA -0.898 54.375 55.300 -0.045 0.000 0.922 528 M CB 1.953 34.487 32.600 -0.109 0.000 1.600 528 M HN 0.611 nan 8.290 nan 0.000 0.433 529 I N 5.457 125.953 120.570 -0.122 0.000 2.308 529 I HA 0.263 4.397 4.170 -0.060 0.000 0.293 529 I C -0.389 175.585 176.117 -0.239 0.000 1.078 529 I CA -0.080 61.126 61.300 -0.158 0.000 1.292 529 I CB -0.214 37.711 38.000 -0.124 0.000 1.423 529 I HN 0.628 nan 8.210 nan 0.000 0.493 530 L N 8.633 129.670 121.223 -0.311 0.000 2.295 530 L HA 0.428 4.732 4.340 -0.060 0.000 0.285 530 L C -2.149 174.541 176.870 -0.300 0.000 1.035 530 L CA -1.844 52.721 54.840 -0.458 0.000 0.806 530 L CB 1.278 42.892 42.059 -0.742 0.000 1.214 530 L HN 0.263 nan 8.230 nan 0.000 0.426 531 P HA 0.047 nan 4.420 nan 0.000 0.268 531 P C -2.414 174.850 177.300 -0.060 0.000 1.208 531 P CA -0.831 62.199 63.100 -0.116 0.000 0.777 531 P CB -0.275 31.396 31.700 -0.049 0.000 0.875 532 P HA -0.089 nan 4.420 nan 0.000 0.268 532 P C -0.042 177.219 177.300 -0.066 0.000 1.208 532 P CA 0.701 63.697 63.100 -0.172 0.000 0.777 532 P CB -0.033 31.517 31.700 -0.249 0.000 0.875 533 H N -1.979 117.132 119.070 0.068 0.000 2.791 533 H HA -0.203 4.317 4.556 -0.059 0.000 0.302 533 H C 0.105 175.492 175.328 0.098 0.000 1.198 533 H CA 0.149 56.239 56.048 0.070 0.000 1.145 533 H CB -2.390 27.404 29.762 0.053 0.000 1.385 533 H HN 0.412 nan 8.280 nan 0.000 0.409 534 F N 2.389 122.340 119.950 0.000 0.000 2.608 534 F HA 0.153 4.644 4.527 -0.060 0.000 0.380 534 F C 0.540 176.350 175.800 0.016 0.000 1.083 534 F CA 0.039 58.000 58.000 -0.064 0.000 1.266 534 F CB 0.526 39.373 39.000 -0.254 0.000 1.076 534 F HN 0.112 nan 8.300 nan 0.000 0.574 535 D N 6.183 126.144 120.400 -0.731 0.000 2.462 535 D HA 0.190 4.794 4.640 -0.060 0.000 0.245 535 D C 0.496 176.380 176.300 -0.694 0.000 1.122 535 D CA -0.407 53.295 54.000 -0.495 0.000 0.864 535 D CB 1.229 41.926 40.800 -0.171 0.000 1.098 535 D HN 0.624 nan 8.370 nan 0.000 0.541 536 K N 0.857 120.912 120.400 -0.574 0.000 2.280 536 K HA -0.108 4.176 4.320 -0.060 0.000 0.202 536 K C 1.702 178.304 176.600 0.003 0.000 1.047 536 K CA 1.124 57.271 56.287 -0.233 0.000 0.942 536 K CB 0.138 32.646 32.500 0.014 0.000 0.739 536 K HN 0.389 nan 8.250 nan 0.000 0.457 537 S N 0.694 116.357 115.700 -0.062 0.000 2.436 537 S HA -0.042 4.392 4.470 -0.060 0.000 0.228 537 S C 1.051 175.624 174.600 -0.046 0.000 1.014 537 S CA 0.284 58.467 58.200 -0.028 0.000 0.950 537 S CB 0.046 63.219 63.200 -0.045 0.000 0.784 537 S HN 0.135 nan 8.310 nan 0.000 0.504 538 K N 1.399 121.740 120.400 -0.098 0.000 2.120 538 K HA 0.205 4.489 4.320 -0.060 0.000 0.245 538 K C -0.671 175.865 176.600 -0.108 0.000 1.024 538 K CA -0.285 55.889 56.287 -0.189 0.000 0.906 538 K CB 0.375 32.631 32.500 -0.406 0.000 1.051 538 K HN 0.032 nan 8.250 nan 0.000 0.491 539 K N 2.905 123.186 120.400 -0.199 0.000 2.425 539 K HA 0.221 4.505 4.320 -0.060 0.000 0.259 539 K C -1.117 175.379 176.600 -0.174 0.000 0.978 539 K CA -0.427 55.816 56.287 -0.073 0.000 0.883 539 K CB 0.962 33.418 32.500 -0.073 0.000 1.110 539 K HN 0.434 nan 8.250 nan 0.000 0.436 540 Y N 2.892 123.218 120.300 0.044 0.000 2.387 540 Y HA 0.275 4.789 4.550 -0.060 0.000 0.330 540 Y C -1.698 174.137 175.900 -0.107 0.000 1.133 540 Y CA -2.169 55.930 58.100 -0.003 0.000 1.152 540 Y CB 0.893 39.410 38.460 0.096 0.000 1.215 540 Y HN 0.424 nan 8.280 nan 0.000 0.466 541 P HA 0.111 nan 4.420 nan 0.000 0.272 541 P C -1.186 175.959 177.300 -0.257 0.000 1.223 541 P CA -0.171 62.645 63.100 -0.474 0.000 0.784 541 P CB 1.385 32.423 31.700 -1.105 0.000 0.923 542 L N 2.889 123.988 121.223 -0.207 0.000 2.385 542 L HA 0.554 4.858 4.340 -0.060 0.000 0.273 542 L C -1.336 175.697 176.870 0.272 0.000 0.990 542 L CA -0.925 53.946 54.840 0.052 0.000 0.821 542 L CB 1.716 43.818 42.059 0.071 0.000 1.279 542 L HN 0.149 nan 8.230 nan 0.000 0.412 543 L N 5.375 126.770 121.223 0.287 0.000 2.298 543 L HA 0.550 4.854 4.340 -0.060 0.000 0.284 543 L C -1.328 175.760 176.870 0.364 0.000 1.013 543 L CA -0.387 54.686 54.840 0.388 0.000 0.824 543 L CB 1.440 43.693 42.059 0.323 0.000 1.221 543 L HN 0.664 nan 8.230 nan 0.000 0.418 544 L N 5.118 126.609 121.223 0.447 0.000 2.278 544 L HA 0.398 4.702 4.340 -0.060 0.000 0.287 544 L C -0.592 176.521 176.870 0.405 0.000 1.072 544 L CA 0.282 55.376 54.840 0.423 0.000 0.819 544 L CB 0.597 42.953 42.059 0.496 0.000 1.176 544 L HN 0.643 nan 8.230 nan 0.000 0.435 545 D N 4.261 124.870 120.400 0.348 0.000 2.280 545 D HA 0.351 4.955 4.640 -0.060 0.000 0.236 545 D C -1.128 175.260 176.300 0.147 0.000 1.082 545 D CA -0.094 54.045 54.000 0.230 0.000 0.834 545 D CB 1.548 42.560 40.800 0.355 0.000 1.100 545 D HN 0.323 nan 8.370 nan 0.000 0.486 546 V N 5.743 125.664 119.914 0.012 0.000 2.735 546 V HA 0.465 4.549 4.120 -0.060 0.000 0.310 546 V C -1.106 175.092 176.094 0.174 0.000 1.061 546 V CA -0.502 61.881 62.300 0.138 0.000 0.913 546 V CB 1.697 33.621 31.823 0.169 0.000 1.005 546 V HN 0.630 nan 8.190 nan 0.000 0.428 547 Y N 5.639 126.012 120.300 0.122 0.000 2.972 547 Y HA 0.576 5.091 4.550 -0.058 0.000 0.211 547 Y C 1.656 177.678 175.900 0.204 0.000 0.969 547 Y CA 1.368 59.563 58.100 0.158 0.000 1.574 547 Y CB -0.099 38.440 38.460 0.132 0.000 1.364 547 Y HN 1.564 nan 8.280 nan 0.000 0.467 548 A N 0.723 123.656 122.820 0.188 0.000 2.847 548 A HA -0.126 4.158 4.320 -0.060 0.000 0.263 548 A C 0.919 178.361 177.584 -0.237 0.000 1.391 548 A CA 1.054 53.114 52.037 0.038 0.000 0.866 548 A CB -2.360 16.779 19.000 0.232 0.000 1.057 548 A HN 0.941 nan 8.150 nan 0.000 0.673 549 G N -1.134 107.282 108.800 -0.640 0.000 2.528 549 G HA2 0.556 4.480 3.960 -0.060 0.000 0.289 549 G HA3 0.556 4.480 3.960 -0.060 0.000 0.289 549 G C -2.454 172.000 174.900 -0.742 0.000 1.192 549 G CA -1.272 43.131 45.100 -1.163 0.000 0.921 549 G HN 0.246 nan 8.290 nan 0.000 0.512 550 P HA 0.076 nan 4.420 nan 0.000 0.262 550 P C 0.613 177.652 177.300 -0.436 0.000 1.182 550 P CA 0.099 62.826 63.100 -0.621 0.000 0.761 550 P CB 0.721 31.646 31.700 -1.292 0.000 0.795 551 C N 2.386 121.502 119.300 -0.306 0.000 4.358 551 C HA -0.162 4.262 4.460 -0.060 0.000 0.287 551 C C 1.035 175.920 174.990 -0.175 0.000 1.414 551 C CA 1.140 59.974 59.018 -0.307 0.000 1.949 551 C CB -2.750 24.700 27.740 -0.485 0.000 1.274 551 C HN 0.808 nan 8.230 nan 0.000 0.793 552 S N 0.047 115.552 115.700 -0.325 0.000 2.600 552 S HA 0.512 4.946 4.470 -0.060 0.000 0.265 552 S C -0.580 173.989 174.600 -0.052 0.000 1.325 552 S CA 0.307 58.245 58.200 -0.437 0.000 1.002 552 S CB 1.544 64.048 63.200 -1.161 0.000 0.921 552 S HN 0.857 nan 8.310 nan 0.000 0.554 553 Q N 0.011 119.878 119.800 0.112 0.000 2.296 553 Q HA 0.349 4.653 4.340 -0.060 0.000 0.254 553 Q C -0.952 175.171 176.000 0.206 0.000 0.936 553 Q CA -0.576 55.350 55.803 0.206 0.000 0.834 553 Q CB 1.046 29.984 28.738 0.334 0.000 1.340 553 Q HN 0.695 nan 8.270 nan 0.000 0.428 554 K N 1.151 121.665 120.400 0.190 0.000 2.402 554 K HA 0.370 4.654 4.320 -0.060 0.000 0.204 554 K C -0.684 176.031 176.600 0.190 0.000 1.056 554 K CA 0.256 56.668 56.287 0.207 0.000 1.069 554 K CB 1.734 34.378 32.500 0.240 0.000 0.888 554 K HN 0.502 nan 8.250 nan 0.000 0.546 555 A N 2.609 125.540 122.820 0.185 0.000 2.293 555 A HA 0.481 4.766 4.320 -0.060 0.000 0.312 555 A C -0.840 176.812 177.584 0.113 0.000 1.309 555 A CA -0.510 51.635 52.037 0.181 0.000 0.839 555 A CB 0.281 19.442 19.000 0.269 0.000 1.155 555 A HN 0.221 nan 8.150 nan 0.000 0.501 556 D N 0.022 120.473 120.400 0.085 0.000 2.752 556 D HA 0.415 5.019 4.640 -0.060 0.000 0.313 556 D C 0.406 176.737 176.300 0.051 0.000 1.225 556 D CA 0.292 54.336 54.000 0.072 0.000 0.976 556 D CB 0.297 41.156 40.800 0.098 0.000 1.443 556 D HN 0.195 nan 8.370 nan 0.000 0.515 557 T N -2.466 112.144 114.554 0.094 0.000 3.163 557 T HA 0.310 4.624 4.350 -0.060 0.000 0.252 557 T C 0.432 175.128 174.700 -0.006 0.000 1.056 557 T CA -0.342 61.801 62.100 0.073 0.000 0.947 557 T CB -0.602 68.342 68.868 0.128 0.000 1.016 557 T HN 0.256 nan 8.240 nan 0.000 0.554 558 V N 2.675 122.493 119.914 -0.161 0.000 2.614 558 V HA 0.332 4.416 4.120 -0.060 0.000 0.291 558 V C 0.073 176.126 176.094 -0.069 0.000 1.049 558 V CA -0.957 61.196 62.300 -0.245 0.000 1.038 558 V CB 0.128 31.660 31.823 -0.486 0.000 0.980 558 V HN 0.562 nan 8.190 nan 0.000 0.481 559 F N 6.505 126.368 119.950 -0.144 0.000 2.427 559 F HA 0.551 5.039 4.527 -0.065 0.000 0.352 559 F C 0.514 176.261 175.800 -0.087 0.000 1.100 559 F CA -0.162 57.776 58.000 -0.104 0.000 1.191 559 F CB 0.320 39.266 39.000 -0.090 0.000 1.128 559 F HN 0.418 nan 8.300 nan 0.000 0.533 560 R N 6.646 126.607 120.500 -0.897 0.000 2.621 560 R HA 0.519 4.823 4.340 -0.060 0.000 0.284 560 R C -1.644 174.199 176.300 -0.763 0.000 0.998 560 R CA -1.014 54.727 56.100 -0.599 0.000 0.895 560 R CB 2.077 32.203 30.300 -0.290 0.000 1.195 560 R HN 0.662 nan 8.270 nan 0.000 0.450 561 L N 4.335 125.307 121.223 -0.417 0.000 2.301 561 L HA 0.422 4.726 4.340 -0.060 0.000 0.278 561 L C -0.518 176.329 176.870 -0.037 0.000 1.022 561 L CA -0.638 54.020 54.840 -0.305 0.000 0.854 561 L CB 0.533 42.550 42.059 -0.071 0.000 1.226 561 L HN 0.765 nan 8.230 nan 0.000 0.429 562 N N 0.512 119.118 118.700 -0.156 0.000 3.418 562 N HA 0.141 4.845 4.740 -0.060 0.000 0.316 562 N C 0.136 175.328 175.510 -0.530 0.000 1.601 562 N CA -0.889 51.975 53.050 -0.310 0.000 0.805 562 N CB 0.181 38.600 38.487 -0.113 0.000 1.873 562 N HN 0.310 nan 8.380 nan 0.000 0.615 563 W N 0.640 121.393 121.300 -0.912 0.000 2.338 563 W HA 0.172 4.790 4.660 -0.071 0.000 0.304 563 W C 2.040 178.524 176.519 -0.059 0.000 1.212 563 W CA 2.909 59.955 57.345 -0.498 0.000 1.264 563 W CB -0.957 28.357 29.460 -0.243 0.000 1.142 563 W HN 0.708 nan 8.180 nan 0.000 0.512 564 A N -0.526 122.255 122.820 -0.064 0.000 1.933 564 A HA -0.194 4.090 4.320 -0.060 0.000 0.218 564 A C 1.940 179.415 177.584 -0.181 0.000 1.175 564 A CA 2.433 54.374 52.037 -0.159 0.000 0.628 564 A CB -1.270 17.723 19.000 -0.011 0.000 0.814 564 A HN 0.297 nan 8.150 nan 0.000 0.444 565 T N -1.206 113.254 114.554 -0.157 0.000 2.684 565 T HA -0.216 4.098 4.350 -0.060 0.000 0.267 565 T C 1.779 176.487 174.700 0.014 0.000 1.036 565 T CA 1.702 63.688 62.100 -0.190 0.000 1.148 565 T CB -0.548 68.039 68.868 -0.468 0.000 0.863 565 T HN 0.698 nan 8.240 nan 0.000 0.436 566 Y N 2.052 122.416 120.300 0.108 0.000 2.114 566 Y HA -0.119 4.401 4.550 -0.049 0.000 0.284 566 Y C 2.041 177.924 175.900 -0.028 0.000 1.143 566 Y CA 1.183 59.379 58.100 0.160 0.000 1.135 566 Y CB -0.600 37.941 38.460 0.134 0.000 0.980 566 Y HN 0.086 nan 8.280 nan 0.000 0.499 567 L N 0.469 121.254 121.223 -0.730 0.000 2.042 567 L HA -0.233 4.071 4.340 -0.060 0.000 0.210 567 L C 2.882 179.507 176.870 -0.408 0.000 1.076 567 L CA 1.254 55.616 54.840 -0.797 0.000 0.749 567 L CB -0.999 40.633 42.059 -0.712 0.000 0.893 567 L HN 0.456 nan 8.230 nan 0.000 0.432 568 A N -1.010 121.648 122.820 -0.271 0.000 1.854 568 A HA -0.187 4.097 4.320 -0.060 0.000 0.214 568 A C 2.533 180.049 177.584 -0.113 0.000 1.192 568 A CA 1.786 53.721 52.037 -0.170 0.000 0.611 568 A CB -0.718 18.182 19.000 -0.168 0.000 0.832 568 A HN 0.330 nan 8.150 nan 0.000 0.442 569 S N -1.140 114.510 115.700 -0.083 0.000 2.348 569 S HA -0.132 4.302 4.470 -0.060 0.000 0.221 569 S C 2.020 176.632 174.600 0.020 0.000 1.033 569 S CA 2.376 60.575 58.200 -0.003 0.000 1.010 569 S CB -0.464 62.785 63.200 0.083 0.000 0.891 569 S HN 0.584 nan 8.310 nan 0.000 0.442 570 T N 1.199 115.745 114.554 -0.013 0.000 2.983 570 T HA 0.173 4.488 4.350 -0.060 0.000 0.250 570 T C 1.456 176.124 174.700 -0.052 0.000 1.037 570 T CA 0.612 62.722 62.100 0.018 0.000 1.142 570 T CB -0.130 68.833 68.868 0.158 0.000 0.876 570 T HN 0.309 nan 8.240 nan 0.000 0.455 571 E N 1.264 121.341 120.200 -0.205 0.000 2.474 571 E HA 0.157 4.471 4.350 -0.060 0.000 0.194 571 E C 0.027 176.604 176.600 -0.039 0.000 1.041 571 E CA -0.055 56.263 56.400 -0.137 0.000 0.874 571 E CB -0.343 29.205 29.700 -0.254 0.000 0.914 571 E HN 0.568 nan 8.360 nan 0.000 0.498 572 N N 0.574 119.264 118.700 -0.017 0.000 2.758 572 N HA -0.189 4.515 4.740 -0.060 0.000 0.248 572 N C -0.796 174.792 175.510 0.131 0.000 1.076 572 N CA 0.151 53.259 53.050 0.097 0.000 0.696 572 N CB -1.271 37.321 38.487 0.174 0.000 0.979 572 N HN 0.186 nan 8.380 nan 0.000 0.550 573 I N 0.986 121.561 120.570 0.008 0.000 2.412 573 I HA 0.361 4.495 4.170 -0.060 0.000 0.296 573 I C 0.615 176.703 176.117 -0.048 0.000 0.987 573 I CA -0.862 60.447 61.300 0.014 0.000 1.180 573 I CB 1.352 39.366 38.000 0.024 0.000 1.340 573 I HN 0.021 nan 8.210 nan 0.000 0.455 574 I N 6.327 126.875 120.570 -0.036 0.000 2.416 574 I HA 0.146 4.280 4.170 -0.060 0.000 0.288 574 I C -0.343 175.747 176.117 -0.045 0.000 1.051 574 I CA -0.399 60.840 61.300 -0.102 0.000 1.375 574 I CB 0.818 38.757 38.000 -0.102 0.000 1.407 574 I HN 0.203 nan 8.210 nan 0.000 0.516 575 V N 6.582 126.457 119.914 -0.064 0.000 2.347 575 V HA 0.654 4.738 4.120 -0.060 0.000 0.280 575 V C 0.382 176.481 176.094 0.010 0.000 1.021 575 V CA -0.431 61.877 62.300 0.014 0.000 0.847 575 V CB 1.048 32.880 31.823 0.016 0.000 0.990 575 V HN 0.853 nan 8.190 nan 0.000 0.444 576 A N 4.009 126.855 122.820 0.043 0.000 2.354 576 A HA 0.967 5.251 4.320 -0.060 0.000 0.321 576 A C -0.213 177.493 177.584 0.204 0.000 1.125 576 A CA -0.540 51.502 52.037 0.008 0.000 0.799 576 A CB 1.816 20.605 19.000 -0.352 0.000 1.293 576 A HN 0.705 nan 8.150 nan 0.000 0.452 577 S N -0.435 115.444 115.700 0.298 0.000 2.546 577 S HA 0.741 5.175 4.470 -0.060 0.000 0.274 577 S C -1.591 173.362 174.600 0.588 0.000 1.121 577 S CA -0.306 58.132 58.200 0.397 0.000 0.887 577 S CB 1.376 64.756 63.200 0.300 0.000 1.094 577 S HN 0.786 nan 8.310 nan 0.000 0.474 578 F N 1.898 122.075 119.950 0.380 0.000 2.557 578 F HA 0.437 4.928 4.527 -0.061 0.000 0.316 578 F C -1.528 174.458 175.800 0.309 0.000 1.141 578 F CA -0.751 57.493 58.000 0.406 0.000 0.922 578 F CB 1.418 40.644 39.000 0.376 0.000 1.194 578 F HN 0.403 nan 8.300 nan 0.000 0.443 579 D N 4.872 125.103 120.400 -0.282 0.000 2.456 579 D HA 0.351 4.955 4.640 -0.060 0.000 0.219 579 D C 0.447 176.478 176.300 -0.449 0.000 1.126 579 D CA 0.182 54.062 54.000 -0.199 0.000 0.890 579 D CB 1.391 42.212 40.800 0.034 0.000 1.025 579 D HN 0.744 nan 8.370 nan 0.000 0.511 580 G N 1.375 109.995 108.800 -0.300 0.000 2.695 580 G HA2 0.268 4.192 3.960 -0.060 0.000 0.213 580 G HA3 0.268 4.192 3.960 -0.060 0.000 0.213 580 G C 0.112 175.011 174.900 -0.003 0.000 1.406 580 G CA -0.701 44.249 45.100 -0.250 0.000 1.049 580 G HN 0.281 nan 8.290 nan 0.000 0.573 581 R N -0.534 119.959 120.500 -0.011 0.000 2.489 581 R HA 0.406 4.710 4.340 -0.060 0.000 0.287 581 R C 1.087 177.455 176.300 0.113 0.000 1.053 581 R CA 1.345 57.518 56.100 0.122 0.000 1.036 581 R CB 0.672 31.033 30.300 0.102 0.000 0.966 581 R HN 0.998 nan 8.270 nan 0.000 0.432 582 G N 1.287 110.141 108.800 0.090 0.000 2.238 582 G HA2 -0.308 3.616 3.960 -0.060 0.000 0.217 582 G HA3 -0.308 3.616 3.960 -0.060 0.000 0.217 582 G C 0.094 174.961 174.900 -0.054 0.000 0.996 582 G CA 0.065 45.184 45.100 0.033 0.000 0.632 582 G HN 0.697 nan 8.290 nan 0.000 0.503 583 S N 0.482 116.161 115.700 -0.034 0.000 2.585 583 S HA 0.647 5.081 4.470 -0.060 0.000 0.273 583 S C 0.876 175.412 174.600 -0.106 0.000 1.339 583 S CA 0.457 58.614 58.200 -0.071 0.000 1.028 583 S CB 1.820 65.019 63.200 -0.002 0.000 0.906 583 S HN 1.626 nan 8.310 nan 0.000 0.528 584 G N -0.412 108.282 108.800 -0.176 0.000 2.531 584 G HA2 0.492 4.416 3.960 -0.060 0.000 0.313 584 G HA3 0.492 4.416 3.960 -0.060 0.000 0.313 584 G C -0.746 173.999 174.900 -0.258 0.000 1.238 584 G CA -1.074 43.772 45.100 -0.423 0.000 0.994 584 G HN 1.047 nan 8.290 nan 0.000 0.493 585 Y N -2.473 117.811 120.300 -0.028 0.000 4.729 585 Y HA -0.237 4.277 4.550 -0.060 0.000 0.239 585 Y C 1.474 177.371 175.900 -0.005 0.000 1.043 585 Y CA 1.053 59.148 58.100 -0.007 0.000 2.045 585 Y CB -1.801 36.671 38.460 0.021 0.000 1.599 585 Y HN 0.524 nan 8.280 nan 0.000 0.655 586 Q N 0.060 119.870 119.800 0.017 0.000 2.103 586 Q HA 0.495 4.799 4.340 -0.060 0.000 0.219 586 Q C 0.879 176.766 176.000 -0.187 0.000 0.784 586 Q CA 0.256 56.078 55.803 0.032 0.000 1.014 586 Q CB 2.034 30.790 28.738 0.029 0.000 1.183 586 Q HN 0.544 nan 8.270 nan 0.000 0.469 587 G N 0.677 109.241 108.800 -0.394 0.000 2.570 587 G HA2 -0.163 3.761 3.960 -0.060 0.000 0.686 587 G HA3 -0.163 3.761 3.960 -0.060 0.000 0.686 587 G C -0.675 173.871 174.900 -0.590 0.000 1.257 587 G CA -0.570 44.058 45.100 -0.788 0.000 0.846 587 G HN 0.046 nan 8.290 nan 0.000 0.627 588 D N -0.150 119.868 120.400 -0.637 0.000 2.264 588 D HA -0.035 4.569 4.640 -0.060 0.000 0.208 588 D C 2.215 178.263 176.300 -0.419 0.000 0.966 588 D CA 1.363 54.953 54.000 -0.683 0.000 0.864 588 D CB 0.085 40.485 40.800 -0.667 0.000 0.933 588 D HN 0.541 nan 8.370 nan 0.000 0.499 589 K N 0.922 121.124 120.400 -0.330 0.000 2.026 589 K HA -0.082 4.202 4.320 -0.060 0.000 0.208 589 K C 1.909 178.436 176.600 -0.120 0.000 1.048 589 K CA 1.030 57.207 56.287 -0.184 0.000 0.929 589 K CB -0.310 32.086 32.500 -0.172 0.000 0.713 589 K HN 0.098 nan 8.250 nan 0.000 0.439 590 I N 0.006 120.488 120.570 -0.146 0.000 2.277 590 I HA -0.166 3.968 4.170 -0.060 0.000 0.243 590 I C 2.623 178.715 176.117 -0.041 0.000 1.094 590 I CA 1.206 62.485 61.300 -0.036 0.000 1.393 590 I CB -0.152 37.833 38.000 -0.024 0.000 1.078 590 I HN 0.301 nan 8.210 nan 0.000 0.417 591 M N -0.089 119.407 119.600 -0.173 0.000 2.132 591 M HA -0.200 4.244 4.480 -0.060 0.000 0.263 591 M C 1.978 178.256 176.300 -0.036 0.000 1.065 591 M CA 1.773 56.970 55.300 -0.171 0.000 1.122 591 M CB -0.170 32.210 32.600 -0.367 0.000 1.365 591 M HN 0.242 nan 8.290 nan 0.000 0.411 592 H N -0.293 118.671 119.070 -0.177 0.000 2.547 592 H HA 0.250 4.770 4.556 -0.060 0.000 0.266 592 H C 1.859 177.200 175.328 0.021 0.000 0.988 592 H CA 0.740 56.689 56.048 -0.164 0.000 1.147 592 H CB -0.404 29.182 29.762 -0.293 0.000 1.365 592 H HN 0.474 nan 8.280 nan 0.000 0.589 593 A N 1.395 124.312 122.820 0.162 0.000 2.024 593 A HA -0.110 4.174 4.320 -0.060 0.000 0.220 593 A C 1.997 179.780 177.584 0.333 0.000 1.164 593 A CA 1.308 53.461 52.037 0.193 0.000 0.643 593 A CB -0.482 18.591 19.000 0.121 0.000 0.806 593 A HN 0.391 nan 8.150 nan 0.000 0.451 594 I N -1.903 118.837 120.570 0.284 0.000 3.904 594 I HA 0.122 4.256 4.170 -0.060 0.000 0.333 594 I C 0.110 176.317 176.117 0.149 0.000 1.361 594 I CA -0.362 61.067 61.300 0.215 0.000 1.116 594 I CB -1.796 36.299 38.000 0.160 0.000 1.028 594 I HN 0.243 nan 8.210 nan 0.000 0.398 595 N N 2.972 121.803 118.700 0.219 0.000 2.411 595 N HA -0.080 4.624 4.740 -0.060 0.000 0.261 595 N C 0.208 175.754 175.510 0.061 0.000 1.248 595 N CA 0.364 53.542 53.050 0.214 0.000 0.885 595 N CB 0.307 38.889 38.487 0.158 0.000 1.062 595 N HN 0.333 nan 8.380 nan 0.000 0.471 596 R N 0.754 121.270 120.500 0.028 0.000 4.010 596 R HA -0.160 4.144 4.340 -0.060 0.000 0.409 596 R C -0.223 175.967 176.300 -0.184 0.000 1.120 596 R CA 0.942 57.014 56.100 -0.046 0.000 1.244 596 R CB -0.735 29.550 30.300 -0.024 0.000 1.799 596 R HN 0.651 nan 8.270 nan 0.000 0.559 597 R N 0.681 121.061 120.500 -0.200 0.000 2.834 597 R HA 0.204 4.508 4.340 -0.060 0.000 0.362 597 R C -0.687 175.593 176.300 -0.033 0.000 1.147 597 R CA -0.606 55.242 56.100 -0.420 0.000 1.125 597 R CB 0.451 30.512 30.300 -0.399 0.000 1.361 597 R HN -0.101 nan 8.270 nan 0.000 0.598 598 L N 0.202 121.503 121.223 0.130 0.000 2.456 598 L HA 0.214 4.518 4.340 -0.060 0.000 0.272 598 L C 1.500 178.632 176.870 0.437 0.000 1.189 598 L CA 1.315 56.267 54.840 0.187 0.000 0.846 598 L CB 0.470 42.414 42.059 -0.191 0.000 1.111 598 L HN 0.746 nan 8.230 nan 0.000 0.475 599 G N 0.861 109.946 108.800 0.475 0.000 2.149 599 G HA2 -0.276 3.648 3.960 -0.060 0.000 0.235 599 G HA3 -0.276 3.648 3.960 -0.060 0.000 0.235 599 G C 0.472 175.468 174.900 0.161 0.000 1.018 599 G CA 0.801 46.120 45.100 0.364 0.000 0.728 599 G HN 0.916 nan 8.290 nan 0.000 0.508 600 T N -3.681 110.930 114.554 0.095 0.000 2.964 600 T HA 0.501 4.816 4.350 -0.060 0.000 0.161 600 T C 1.592 176.281 174.700 -0.018 0.000 0.859 600 T CA 0.841 62.889 62.100 -0.087 0.000 1.015 600 T CB 0.016 68.634 68.868 -0.417 0.000 2.138 600 T HN 0.165 nan 8.240 nan 0.000 0.367 601 F N 3.496 123.496 119.950 0.085 0.000 2.126 601 F HA 0.019 4.510 4.527 -0.061 0.000 0.299 601 F C 2.866 178.705 175.800 0.066 0.000 1.096 601 F CA 1.440 59.474 58.000 0.057 0.000 1.255 601 F CB -0.788 38.239 39.000 0.045 0.000 0.997 601 F HN 0.548 nan 8.300 nan 0.000 0.479 602 E N 0.982 121.346 120.200 0.273 0.000 2.110 602 E HA -0.145 4.169 4.350 -0.060 0.000 0.193 602 E C 2.202 178.925 176.600 0.204 0.000 0.988 602 E CA 1.634 58.168 56.400 0.223 0.000 0.804 602 E CB -1.213 28.622 29.700 0.224 0.000 0.745 602 E HN 0.287 nan 8.360 nan 0.000 0.458 603 V N 1.834 121.851 119.914 0.172 0.000 2.295 603 V HA -0.243 3.841 4.120 -0.060 0.000 0.246 603 V C 2.432 178.577 176.094 0.085 0.000 1.049 603 V CA 2.342 64.697 62.300 0.092 0.000 1.024 603 V CB -0.619 31.214 31.823 0.017 0.000 0.648 603 V HN 0.256 nan 8.190 nan 0.000 0.447 604 E N -0.223 120.042 120.200 0.109 0.000 2.153 604 E HA -0.217 4.097 4.350 -0.060 0.000 0.194 604 E C 1.851 178.496 176.600 0.075 0.000 0.988 604 E CA 1.315 57.775 56.400 0.100 0.000 0.811 604 E CB -0.132 29.660 29.700 0.152 0.000 0.746 604 E HN 0.595 nan 8.360 nan 0.000 0.466 605 D N 0.161 120.623 120.400 0.104 0.000 2.234 605 D HA -0.096 4.508 4.640 -0.060 0.000 0.205 605 D C 1.928 178.263 176.300 0.057 0.000 0.962 605 D CA 0.605 54.652 54.000 0.080 0.000 0.855 605 D CB 0.008 40.890 40.800 0.137 0.000 0.951 605 D HN 0.093 nan 8.370 nan 0.000 0.500 606 Q N 0.291 120.175 119.800 0.141 0.000 2.079 606 Q HA -0.032 4.272 4.340 -0.060 0.000 0.200 606 Q C 2.544 178.610 176.000 0.110 0.000 0.974 606 Q CA 0.545 56.437 55.803 0.148 0.000 0.840 606 Q CB -0.103 28.741 28.738 0.175 0.000 0.898 606 Q HN 0.414 nan 8.270 nan 0.000 0.430 607 I N 0.768 121.410 120.570 0.120 0.000 2.179 607 I HA -0.273 3.862 4.170 -0.060 0.000 0.242 607 I C 2.428 178.533 176.117 -0.020 0.000 1.088 607 I CA 1.305 62.723 61.300 0.196 0.000 1.357 607 I CB -0.265 37.831 38.000 0.160 0.000 1.051 607 I HN 0.154 nan 8.210 nan 0.000 0.409 608 E N 1.498 121.623 120.200 -0.124 0.000 2.118 608 E HA -0.218 4.096 4.350 -0.060 0.000 0.195 608 E C 2.100 178.408 176.600 -0.486 0.000 0.992 608 E CA 1.660 57.912 56.400 -0.247 0.000 0.804 608 E CB -0.206 29.367 29.700 -0.211 0.000 0.741 608 E HN 0.418 nan 8.360 nan 0.000 0.458 609 A N 0.992 123.377 122.820 -0.725 0.000 1.873 609 A HA -0.173 4.111 4.320 -0.060 0.000 0.218 609 A C 2.513 179.376 177.584 -1.202 0.000 1.193 609 A CA 2.600 53.872 52.037 -1.274 0.000 0.629 609 A CB -1.312 16.885 19.000 -1.338 0.000 0.826 609 A HN 0.424 nan 8.150 nan 0.000 0.447 610 A N -0.312 122.215 122.820 -0.489 0.000 1.940 610 A HA -0.215 4.069 4.320 -0.060 0.000 0.219 610 A C 2.231 179.626 177.584 -0.315 0.000 1.176 610 A CA 1.677 53.574 52.037 -0.235 0.000 0.631 610 A CB -0.517 18.354 19.000 -0.214 0.000 0.814 610 A HN 0.597 nan 8.150 nan 0.000 0.446 611 R N -0.951 119.348 120.500 -0.334 0.000 2.096 611 R HA -0.110 4.194 4.340 -0.060 0.000 0.235 611 R C 2.317 178.437 176.300 -0.300 0.000 1.127 611 R CA 1.282 57.220 56.100 -0.270 0.000 0.968 611 R CB -0.268 29.903 30.300 -0.214 0.000 0.861 611 R HN 0.554 nan 8.270 nan 0.000 0.440 612 Q N -0.015 119.513 119.800 -0.453 0.000 2.049 612 Q HA -0.086 4.218 4.340 -0.060 0.000 0.198 612 Q C 2.070 177.858 176.000 -0.353 0.000 0.971 612 Q CA 1.386 56.923 55.803 -0.443 0.000 0.833 612 Q CB -0.207 28.164 28.738 -0.611 0.000 0.896 612 Q HN 0.267 nan 8.270 nan 0.000 0.434 613 F N 1.486 121.257 119.950 -0.299 0.000 2.102 613 F HA -0.177 4.315 4.527 -0.058 0.000 0.298 613 F C 2.718 178.304 175.800 -0.357 0.000 1.105 613 F CA 1.355 59.163 58.000 -0.321 0.000 1.239 613 F CB -1.428 37.434 39.000 -0.230 0.000 0.991 613 F HN 0.081 nan 8.300 nan 0.000 0.474 614 S N -0.119 115.517 115.700 -0.107 0.000 2.382 614 S HA -0.173 4.261 4.470 -0.060 0.000 0.228 614 S C 1.711 176.196 174.600 -0.192 0.000 1.027 614 S CA 0.929 59.034 58.200 -0.158 0.000 0.991 614 S CB -0.630 62.487 63.200 -0.139 0.000 0.823 614 S HN 0.383 nan 8.310 nan 0.000 0.469 615 K N 0.372 120.662 120.400 -0.183 0.000 2.551 615 K HA 0.259 4.543 4.320 -0.060 0.000 0.192 615 K C 1.438 177.935 176.600 -0.172 0.000 1.027 615 K CA 0.226 56.418 56.287 -0.158 0.000 1.059 615 K CB -0.241 32.179 32.500 -0.133 0.000 0.831 615 K HN 0.490 nan 8.250 nan 0.000 0.508 616 M N -1.230 118.209 119.600 -0.269 0.000 2.447 616 M HA 0.006 4.450 4.480 -0.060 0.000 0.264 616 M C 1.255 177.349 176.300 -0.343 0.000 1.095 616 M CA 1.051 56.159 55.300 -0.320 0.000 1.125 616 M CB 0.545 32.847 32.600 -0.496 0.000 1.389 616 M HN 0.421 nan 8.290 nan 0.000 0.459 617 G N 0.447 109.023 108.800 -0.373 0.000 2.218 617 G HA2 -0.251 3.673 3.960 -0.060 0.000 0.216 617 G HA3 -0.251 3.673 3.960 -0.060 0.000 0.216 617 G C 0.421 175.281 174.900 -0.068 0.000 0.994 617 G CA 0.100 45.101 45.100 -0.165 0.000 0.637 617 G HN 0.564 nan 8.290 nan 0.000 0.505 618 F N 0.365 120.377 119.950 0.103 0.000 2.668 618 F HA 0.776 5.267 4.527 -0.060 0.000 0.301 618 F C 0.043 175.957 175.800 0.190 0.000 1.106 618 F CA -0.979 57.114 58.000 0.155 0.000 1.289 618 F CB 0.498 39.656 39.000 0.264 0.000 1.006 618 F HN 0.040 nan 8.300 nan 0.000 0.535 619 V N 1.530 121.468 119.914 0.041 0.000 2.409 619 V HA 0.190 4.274 4.120 -0.060 0.000 0.291 619 V C -0.725 175.359 176.094 -0.017 0.000 1.020 619 V CA -0.763 61.568 62.300 0.052 0.000 0.848 619 V CB 1.494 33.297 31.823 -0.034 0.000 0.990 619 V HN 0.119 nan 8.190 nan 0.000 0.430 620 D N 3.996 124.381 120.400 -0.025 0.000 2.344 620 D HA 0.042 4.646 4.640 -0.060 0.000 0.253 620 D C 0.964 177.211 176.300 -0.088 0.000 1.255 620 D CA -0.160 53.797 54.000 -0.072 0.000 0.894 620 D CB 0.734 41.472 40.800 -0.104 0.000 1.067 620 D HN 0.665 nan 8.370 nan 0.000 0.492 621 N N 2.787 121.438 118.700 -0.082 0.000 2.383 621 N HA -0.037 4.667 4.740 -0.060 0.000 0.192 621 N C 0.682 176.147 175.510 -0.075 0.000 1.141 621 N CA 0.147 53.141 53.050 -0.094 0.000 0.851 621 N CB 0.112 38.535 38.487 -0.107 0.000 0.976 621 N HN 0.304 nan 8.380 nan 0.000 0.465 622 K N -0.030 120.335 120.400 -0.057 0.000 2.365 622 K HA 0.174 4.458 4.320 -0.060 0.000 0.197 622 K C 0.143 176.747 176.600 0.007 0.000 1.042 622 K CA 0.391 56.663 56.287 -0.024 0.000 0.987 622 K CB 0.322 32.810 32.500 -0.021 0.000 0.779 622 K HN 0.145 nan 8.250 nan 0.000 0.484 623 R N 1.240 121.714 120.500 -0.043 0.000 2.651 623 R HA 0.353 4.657 4.340 -0.060 0.000 0.282 623 R C -1.040 175.218 176.300 -0.070 0.000 1.565 623 R CA -0.122 55.948 56.100 -0.049 0.000 1.661 623 R CB 0.626 30.711 30.300 -0.358 0.000 1.189 623 R HN -0.005 nan 8.270 nan 0.000 0.621 624 I N 1.299 121.942 120.570 0.121 0.000 2.389 624 I HA 0.534 4.668 4.170 -0.060 0.000 0.288 624 I C -0.078 176.298 176.117 0.431 0.000 0.999 624 I CA -0.740 60.650 61.300 0.150 0.000 1.129 624 I CB 1.934 39.846 38.000 -0.147 0.000 1.288 624 I HN 0.346 nan 8.210 nan 0.000 0.444 625 A N 7.053 130.243 122.820 0.617 0.000 2.386 625 A HA 0.920 5.204 4.320 -0.060 0.000 0.308 625 A C -1.136 176.829 177.584 0.636 0.000 1.128 625 A CA -0.639 51.769 52.037 0.619 0.000 0.789 625 A CB 2.003 21.276 19.000 0.455 0.000 1.325 625 A HN 0.733 nan 8.150 nan 0.000 0.437 626 I N 0.828 121.686 120.570 0.481 0.000 2.722 626 I HA 0.727 4.861 4.170 -0.060 0.000 0.295 626 I C -1.814 174.566 176.117 0.439 0.000 1.161 626 I CA -0.550 60.960 61.300 0.351 0.000 1.032 626 I CB 1.577 39.523 38.000 -0.089 0.000 1.244 626 I HN 0.910 nan 8.210 nan 0.000 0.421 627 W N 7.103 128.537 121.300 0.223 0.000 3.167 627 W HA 0.852 5.475 4.660 -0.063 0.000 0.324 627 W C -1.526 175.131 176.519 0.230 0.000 1.230 627 W CA -1.096 56.380 57.345 0.220 0.000 1.184 627 W CB 1.113 30.747 29.460 0.289 0.000 1.414 627 W HN 0.814 nan 8.180 nan 0.000 0.551 628 G N 1.125 109.815 108.800 -0.183 0.000 2.646 628 G HA2 0.475 4.399 3.960 -0.060 0.000 0.291 628 G HA3 0.475 4.399 3.960 -0.060 0.000 0.291 628 G C -2.604 172.171 174.900 -0.208 0.000 1.445 628 G CA -0.733 44.102 45.100 -0.442 0.000 0.814 628 G HN 0.589 nan 8.290 nan 0.000 0.495 629 W N 0.983 122.063 121.300 -0.367 0.000 2.570 629 W HA 0.542 5.166 4.660 -0.061 0.000 0.337 629 W C 0.903 177.355 176.519 -0.111 0.000 1.067 629 W CA 0.608 57.836 57.345 -0.195 0.000 1.229 629 W CB 1.635 30.973 29.460 -0.204 0.000 1.355 629 W HN 1.010 nan 8.180 nan 0.000 0.555 630 S N 1.571 117.430 115.700 0.265 0.000 4.139 630 S HA -0.431 4.003 4.470 -0.060 0.000 0.603 630 S C 0.846 175.538 174.600 0.154 0.000 1.897 630 S CA 1.650 60.014 58.200 0.274 0.000 4.241 630 S CB -1.581 61.832 63.200 0.356 0.000 0.221 630 S HN 0.758 nan 8.310 nan 0.000 0.488 631 Y N 2.927 123.292 120.300 0.109 0.000 2.224 631 Y HA 0.008 4.521 4.550 -0.061 0.000 0.289 631 Y C 2.524 178.598 175.900 0.291 0.000 1.146 631 Y CA 2.056 60.311 58.100 0.258 0.000 1.182 631 Y CB -0.932 37.782 38.460 0.423 0.000 0.983 631 Y HN 0.559 nan 8.280 nan 0.000 0.524 632 G N -0.825 108.223 108.800 0.415 0.000 2.432 632 G HA2 -0.241 3.683 3.960 -0.060 0.000 0.219 632 G HA3 -0.241 3.683 3.960 -0.060 0.000 0.219 632 G C 1.833 176.803 174.900 0.117 0.000 1.135 632 G CA 0.766 46.018 45.100 0.254 0.000 0.767 632 G HN 0.574 nan 8.290 nan 0.000 0.550 633 G N -0.061 108.790 108.800 0.085 0.000 2.404 633 G HA2 -0.243 3.681 3.960 -0.060 0.000 0.215 633 G HA3 -0.243 3.681 3.960 -0.060 0.000 0.215 633 G C 1.568 176.501 174.900 0.055 0.000 1.174 633 G CA 1.026 46.148 45.100 0.036 0.000 0.780 633 G HN 0.470 nan 8.290 nan 0.000 0.537 634 Y N 1.069 121.304 120.300 -0.109 0.000 2.128 634 Y HA -0.188 4.326 4.550 -0.061 0.000 0.284 634 Y C 2.813 178.654 175.900 -0.098 0.000 1.154 634 Y CA 1.968 59.951 58.100 -0.196 0.000 1.149 634 Y CB -0.212 37.981 38.460 -0.445 0.000 0.976 634 Y HN 0.039 nan 8.280 nan 0.000 0.505 635 V N -0.211 119.630 119.914 -0.121 0.000 2.358 635 V HA -0.302 3.782 4.120 -0.060 0.000 0.246 635 V C 2.269 178.286 176.094 -0.128 0.000 1.047 635 V CA 2.328 64.552 62.300 -0.127 0.000 1.035 635 V CB -1.085 30.834 31.823 0.159 0.000 0.658 635 V HN 0.512 nan 8.190 nan 0.000 0.452 636 T N -0.063 114.464 114.554 -0.044 0.000 2.665 636 T HA -0.212 4.102 4.350 -0.060 0.000 0.268 636 T C 2.128 176.792 174.700 -0.061 0.000 1.035 636 T CA 2.072 64.149 62.100 -0.037 0.000 1.151 636 T CB -0.282 68.634 68.868 0.079 0.000 0.862 636 T HN 0.502 nan 8.240 nan 0.000 0.438 637 S N 0.817 116.508 115.700 -0.015 0.000 2.383 637 S HA 0.028 4.462 4.470 -0.060 0.000 0.227 637 S C 2.127 176.656 174.600 -0.118 0.000 1.026 637 S CA 0.818 59.038 58.200 0.033 0.000 0.981 637 S CB -0.238 63.015 63.200 0.089 0.000 0.818 637 S HN 0.316 nan 8.310 nan 0.000 0.472 638 M N 0.899 120.337 119.600 -0.270 0.000 2.132 638 M HA -0.014 4.430 4.480 -0.060 0.000 0.263 638 M C 2.198 178.346 176.300 -0.253 0.000 1.065 638 M CA 1.054 56.175 55.300 -0.298 0.000 1.122 638 M CB -1.364 30.961 32.600 -0.458 0.000 1.365 638 M HN 0.172 nan 8.290 nan 0.000 0.411 639 V N 0.762 120.519 119.914 -0.261 0.000 2.295 639 V HA -0.243 3.841 4.120 -0.060 0.000 0.246 639 V C 2.497 178.390 176.094 -0.335 0.000 1.049 639 V CA 1.438 63.571 62.300 -0.278 0.000 1.024 639 V CB -0.663 30.930 31.823 -0.383 0.000 0.648 639 V HN 0.407 nan 8.190 nan 0.000 0.447 640 L N 0.403 121.370 121.223 -0.427 0.000 2.265 640 L HA -0.046 4.258 4.340 -0.060 0.000 0.215 640 L C 2.111 178.405 176.870 -0.960 0.000 1.117 640 L CA 1.386 55.867 54.840 -0.598 0.000 0.782 640 L CB -0.664 41.024 42.059 -0.619 0.000 0.914 640 L HN 0.486 nan 8.230 nan 0.000 0.441 641 G N -1.463 106.830 108.800 -0.845 0.000 3.434 641 G HA2 0.004 3.928 3.960 -0.060 0.000 0.258 641 G HA3 0.004 3.928 3.960 -0.060 0.000 0.258 641 G C 1.360 176.100 174.900 -0.267 0.000 1.128 641 G CA 0.539 45.260 45.100 -0.633 0.000 0.792 641 G HN 0.403 nan 8.290 nan 0.000 0.539 642 S N -0.939 114.623 115.700 -0.230 0.000 2.503 642 S HA 0.319 4.753 4.470 -0.060 0.000 0.217 642 S C 1.907 176.462 174.600 -0.075 0.000 0.999 642 S CA 0.997 59.127 58.200 -0.117 0.000 0.914 642 S CB 0.012 63.159 63.200 -0.087 0.000 0.782 642 S HN 1.326 nan 8.310 nan 0.000 0.520 643 G N 1.627 110.374 108.800 -0.089 0.000 2.160 643 G HA2 -0.349 3.575 3.960 -0.060 0.000 0.251 643 G HA3 -0.349 3.575 3.960 -0.060 0.000 0.251 643 G C 0.989 175.880 174.900 -0.016 0.000 1.008 643 G CA 0.993 46.065 45.100 -0.048 0.000 0.724 643 G HN 1.239 nan 8.290 nan 0.000 0.514 644 S N -0.719 114.983 115.700 0.004 0.000 2.383 644 S HA 0.271 4.705 4.470 -0.060 0.000 0.227 644 S C 2.571 177.185 174.600 0.023 0.000 1.026 644 S CA 1.829 60.046 58.200 0.030 0.000 0.981 644 S CB -0.329 62.922 63.200 0.084 0.000 0.818 644 S HN 2.437 nan 8.310 nan 0.000 0.472 645 G N -0.231 108.591 108.800 0.037 0.000 2.159 645 G HA2 -0.261 3.663 3.960 -0.060 0.000 0.256 645 G HA3 -0.261 3.663 3.960 -0.060 0.000 0.256 645 G C 0.716 175.617 174.900 0.001 0.000 0.977 645 G CA 0.375 45.487 45.100 0.021 0.000 0.652 645 G HN 0.706 nan 8.290 nan 0.000 0.531 646 V N -0.510 119.401 119.914 -0.004 0.000 2.535 646 V HA 0.288 4.372 4.120 -0.060 0.000 0.246 646 V C 1.185 177.088 176.094 -0.318 0.000 1.045 646 V CA 1.400 63.577 62.300 -0.205 0.000 1.058 646 V CB -0.323 31.293 31.823 -0.345 0.000 0.689 646 V HN 0.294 nan 8.190 nan 0.000 0.461 647 F N 0.030 119.998 119.950 0.030 0.000 2.421 647 F HA 0.401 4.892 4.527 -0.061 0.000 0.337 647 F C 1.110 176.958 175.800 0.079 0.000 1.105 647 F CA -0.533 57.512 58.000 0.074 0.000 1.049 647 F CB 1.349 40.397 39.000 0.079 0.000 1.139 647 F HN -0.242 nan 8.300 nan 0.000 0.479 648 K N 1.603 122.169 120.400 0.276 0.000 2.137 648 K HA 0.105 4.389 4.320 -0.060 0.000 0.202 648 K C -0.027 176.709 176.600 0.227 0.000 1.052 648 K CA 0.916 57.329 56.287 0.210 0.000 0.961 648 K CB 0.265 32.888 32.500 0.206 0.000 0.741 648 K HN 0.809 nan 8.250 nan 0.000 0.452 649 c N -2.923 115.853 118.600 0.293 0.000 3.332 649 c HA 0.904 5.438 4.570 -0.060 0.000 0.329 649 c C -0.265 174.055 174.090 0.383 0.000 1.434 649 c CA -0.519 55.998 56.329 0.314 0.000 1.314 649 c CB 1.114 43.738 42.510 0.189 0.000 1.664 649 c HN 0.363 nan 8.230 nan 0.000 0.457 650 G N -0.116 108.973 108.800 0.482 0.000 2.579 650 G HA2 0.651 4.575 3.960 -0.060 0.000 0.292 650 G HA3 0.651 4.575 3.960 -0.060 0.000 0.292 650 G C -2.057 173.063 174.900 0.367 0.000 1.484 650 G CA -0.668 44.690 45.100 0.430 0.000 0.813 650 G HN 1.012 nan 8.290 nan 0.000 0.515 651 I N 0.993 121.744 120.570 0.302 0.000 2.418 651 I HA 0.607 4.741 4.170 -0.060 0.000 0.287 651 I C 0.345 176.561 176.117 0.165 0.000 1.008 651 I CA -0.895 60.460 61.300 0.093 0.000 1.104 651 I CB 2.123 40.173 38.000 0.084 0.000 1.264 651 I HN 0.663 nan 8.210 nan 0.000 0.438 652 A N 6.601 129.408 122.820 -0.023 0.000 2.288 652 A HA 0.795 5.079 4.320 -0.060 0.000 0.320 652 A C -0.642 176.823 177.584 -0.199 0.000 1.217 652 A CA -0.495 51.530 52.037 -0.020 0.000 0.840 652 A CB 1.043 20.089 19.000 0.078 0.000 1.179 652 A HN 0.458 nan 8.150 nan 0.000 0.504 653 V N 2.058 121.792 119.914 -0.300 0.000 2.409 653 V HA 0.576 4.660 4.120 -0.060 0.000 0.291 653 V C 0.874 176.502 176.094 -0.777 0.000 1.020 653 V CA 0.275 62.169 62.300 -0.676 0.000 0.848 653 V CB 0.799 31.898 31.823 -1.207 0.000 0.990 653 V HN 2.106 nan 8.190 nan 0.000 0.430 654 A N 5.415 127.768 122.820 -0.779 0.000 2.640 654 A HA -0.103 4.181 4.320 -0.060 0.000 0.300 654 A C -1.783 175.609 177.584 -0.321 0.000 1.499 654 A CA 0.515 52.036 52.037 -0.860 0.000 0.759 654 A CB -1.609 17.079 19.000 -0.519 0.000 1.048 654 A HN 0.612 nan 8.150 nan 0.000 0.450 655 P HA 0.429 nan 4.420 nan 0.000 0.281 655 P C 0.220 177.472 177.300 -0.081 0.000 1.249 655 P CA -0.222 62.830 63.100 -0.081 0.000 0.810 655 P CB 1.243 32.925 31.700 -0.030 0.000 1.008 656 V N 2.303 122.086 119.914 -0.219 0.000 2.637 656 V HA 0.040 4.124 4.120 -0.060 0.000 0.296 656 V C 1.796 177.725 176.094 -0.275 0.000 1.046 656 V CA 1.049 63.084 62.300 -0.442 0.000 1.066 656 V CB 0.558 31.723 31.823 -1.096 0.000 0.968 656 V HN 0.830 nan 8.190 nan 0.000 0.483 657 S N 3.928 119.496 115.700 -0.220 0.000 2.564 657 S HA 0.224 4.658 4.470 -0.060 0.000 0.231 657 S C 0.548 175.018 174.600 -0.217 0.000 1.067 657 S CA -0.300 57.844 58.200 -0.094 0.000 0.908 657 S CB 0.296 63.504 63.200 0.012 0.000 0.809 657 S HN 0.831 nan 8.310 nan 0.000 0.491 658 R N -1.064 119.191 120.500 -0.409 0.000 2.535 658 R HA 0.345 4.649 4.340 -0.060 0.000 0.274 658 R C -0.919 175.061 176.300 -0.533 0.000 1.090 658 R CA -0.828 54.947 56.100 -0.542 0.000 0.930 658 R CB -0.042 29.940 30.300 -0.530 0.000 1.223 658 R HN 0.186 nan 8.270 nan 0.000 0.441 659 W N 1.847 123.047 121.300 -0.166 0.000 2.341 659 W HA -0.113 4.511 4.660 -0.061 0.000 0.283 659 W C 1.230 177.875 176.519 0.210 0.000 1.215 659 W CA 1.060 58.391 57.345 -0.024 0.000 1.211 659 W CB 0.153 29.484 29.460 -0.215 0.000 1.131 659 W HN 0.737 nan 8.180 nan 0.000 0.552 660 E N -1.071 119.324 120.200 0.326 0.000 2.333 660 E HA -0.203 4.111 4.350 -0.060 0.000 0.198 660 E C 1.470 178.214 176.600 0.240 0.000 1.007 660 E CA 1.076 57.607 56.400 0.219 0.000 0.845 660 E CB -0.412 29.307 29.700 0.032 0.000 0.766 660 E HN 0.368 nan 8.360 nan 0.000 0.507 661 Y N -1.284 119.115 120.300 0.166 0.000 2.420 661 Y HA 0.031 4.545 4.550 -0.060 0.000 0.292 661 Y C 0.899 176.920 175.900 0.201 0.000 1.119 661 Y CA -0.234 57.938 58.100 0.120 0.000 1.229 661 Y CB -0.599 37.872 38.460 0.019 0.000 1.026 661 Y HN 0.036 nan 8.280 nan 0.000 0.554 662 Y N 2.068 122.525 120.300 0.261 0.000 2.289 662 Y HA 0.231 4.745 4.550 -0.061 0.000 0.332 662 Y C 0.360 176.471 175.900 0.352 0.000 1.324 662 Y CA -1.872 56.391 58.100 0.272 0.000 1.478 662 Y CB 0.204 38.859 38.460 0.324 0.000 1.378 662 Y HN 0.196 nan 8.280 nan 0.000 0.558 663 D N -0.671 119.490 120.400 -0.398 0.000 2.372 663 D HA 0.112 4.716 4.640 -0.060 0.000 0.243 663 D C 0.902 177.174 176.300 -0.047 0.000 1.121 663 D CA 0.283 54.095 54.000 -0.312 0.000 0.898 663 D CB 0.971 41.380 40.800 -0.651 0.000 1.202 663 D HN 0.469 nan 8.370 nan 0.000 0.428 664 S N 1.383 117.072 115.700 -0.018 0.000 2.359 664 S HA -0.227 4.207 4.470 -0.060 0.000 0.224 664 S C 1.906 176.523 174.600 0.028 0.000 1.035 664 S CA 1.158 59.396 58.200 0.064 0.000 1.018 664 S CB -0.982 62.267 63.200 0.081 0.000 0.876 664 S HN 0.425 nan 8.310 nan 0.000 0.448 665 V N 0.915 120.782 119.914 -0.078 0.000 2.255 665 V HA -0.193 3.891 4.120 -0.060 0.000 0.247 665 V C 2.305 178.295 176.094 -0.172 0.000 1.051 665 V CA 2.305 64.460 62.300 -0.241 0.000 1.018 665 V CB -1.078 30.453 31.823 -0.486 0.000 0.641 665 V HN 0.607 nan 8.190 nan 0.000 0.445 666 Y N 1.227 121.446 120.300 -0.134 0.000 2.133 666 Y HA -0.232 4.283 4.550 -0.059 0.000 0.287 666 Y C 2.727 178.613 175.900 -0.023 0.000 1.134 666 Y CA 2.343 60.443 58.100 -0.001 0.000 1.133 666 Y CB -0.506 38.137 38.460 0.305 0.000 0.987 666 Y HN 0.230 nan 8.280 nan 0.000 0.502 667 T N 0.260 114.983 114.554 0.283 0.000 2.708 667 T HA -0.179 4.135 4.350 -0.060 0.000 0.266 667 T C 1.520 176.174 174.700 -0.076 0.000 1.037 667 T CA 1.897 64.104 62.100 0.179 0.000 1.146 667 T CB -0.268 68.864 68.868 0.441 0.000 0.865 667 T HN 0.445 nan 8.240 nan 0.000 0.435 668 E N 0.601 120.782 120.200 -0.031 0.000 2.208 668 E HA -0.027 4.287 4.350 -0.060 0.000 0.193 668 E C 2.319 178.796 176.600 -0.205 0.000 0.988 668 E CA 0.233 56.617 56.400 -0.028 0.000 0.828 668 E CB -0.094 29.643 29.700 0.062 0.000 0.763 668 E HN 0.328 nan 8.360 nan 0.000 0.478 669 R N 0.301 120.521 120.500 -0.467 0.000 2.119 669 R HA -0.222 4.082 4.340 -0.060 0.000 0.246 669 R C 1.252 177.039 176.300 -0.855 0.000 1.146 669 R CA 1.831 57.452 56.100 -0.798 0.000 0.962 669 R CB -0.058 29.387 30.300 -1.426 0.000 0.863 669 R HN 0.266 nan 8.270 nan 0.000 0.442 670 Y N -2.366 117.641 120.300 -0.488 0.000 2.507 670 Y HA 0.218 4.732 4.550 -0.060 0.000 0.263 670 Y C 1.788 177.523 175.900 -0.274 0.000 1.093 670 Y CA -0.042 57.780 58.100 -0.463 0.000 1.285 670 Y CB 0.388 38.437 38.460 -0.685 0.000 1.115 670 Y HN -0.042 nan 8.280 nan 0.000 0.533 671 M N -0.415 119.095 119.600 -0.151 0.000 2.367 671 M HA 0.359 4.803 4.480 -0.060 0.000 0.256 671 M C 1.152 177.496 176.300 0.073 0.000 1.091 671 M CA 0.818 56.039 55.300 -0.133 0.000 1.049 671 M CB -0.296 32.042 32.600 -0.435 0.000 1.406 671 M HN 0.355 nan 8.290 nan 0.000 0.498 672 G N 1.900 110.745 108.800 0.075 0.000 2.601 672 G HA2 -0.231 3.693 3.960 -0.060 0.000 0.252 672 G HA3 -0.231 3.693 3.960 -0.060 0.000 0.252 672 G C -0.726 174.309 174.900 0.224 0.000 1.294 672 G CA -0.722 44.452 45.100 0.124 0.000 0.912 672 G HN 0.263 nan 8.290 nan 0.000 0.574 673 L N 2.475 123.787 121.223 0.148 0.000 2.334 673 L HA 0.514 4.818 4.340 -0.060 0.000 0.277 673 L C -1.348 175.480 176.870 -0.071 0.000 1.075 673 L CA -1.687 53.186 54.840 0.055 0.000 0.804 673 L CB 1.379 43.444 42.059 0.010 0.000 1.174 673 L HN 0.411 nan 8.230 nan 0.000 0.438 674 P HA 0.096 nan 4.420 nan 0.000 0.225 674 P C -0.628 176.503 177.300 -0.282 0.000 1.768 674 P CA -0.178 62.472 63.100 -0.750 0.000 0.943 674 P CB -0.511 30.433 31.700 -1.260 0.000 1.936 675 T N -3.289 111.190 114.554 -0.126 0.000 2.932 675 T HA 0.488 4.802 4.350 -0.060 0.000 0.289 675 T C -2.222 172.468 174.700 -0.018 0.000 1.039 675 T CA -2.521 59.543 62.100 -0.061 0.000 1.024 675 T CB 1.885 70.730 68.868 -0.039 0.000 1.090 675 T HN -0.294 nan 8.240 nan 0.000 0.496 676 P HA -0.139 nan 4.420 nan 0.000 0.215 676 P C 1.490 178.800 177.300 0.016 0.000 1.153 676 P CA 1.059 64.164 63.100 0.009 0.000 0.853 676 P CB 0.082 31.785 31.700 0.005 0.000 0.788 677 E N -1.163 119.043 120.200 0.009 0.000 2.418 677 E HA -0.116 4.198 4.350 -0.060 0.000 0.197 677 E C 1.048 177.659 176.600 0.019 0.000 1.026 677 E CA 0.912 57.319 56.400 0.011 0.000 0.862 677 E CB -0.488 29.215 29.700 0.004 0.000 0.799 677 E HN 0.281 nan 8.360 nan 0.000 0.518 678 D N 1.057 121.473 120.400 0.027 0.000 2.931 678 D HA 0.021 4.625 4.640 -0.060 0.000 0.241 678 D C 0.353 176.700 176.300 0.078 0.000 1.494 678 D CA 0.163 54.191 54.000 0.045 0.000 1.260 678 D CB 0.089 40.915 40.800 0.044 0.000 0.953 678 D HN 0.065 nan 8.370 nan 0.000 0.240 679 N N -0.140 118.633 118.700 0.121 0.000 2.387 679 N HA 0.068 4.773 4.740 -0.060 0.000 0.259 679 N C 0.830 176.521 175.510 0.301 0.000 1.369 679 N CA -0.064 53.112 53.050 0.209 0.000 0.867 679 N CB 0.167 38.811 38.487 0.262 0.000 1.341 679 N HN 0.060 nan 8.380 nan 0.000 0.495 680 L N 0.474 121.789 121.223 0.155 0.000 2.079 680 L HA -0.065 4.239 4.340 -0.060 0.000 0.210 680 L C 1.232 178.208 176.870 0.178 0.000 1.081 680 L CA 1.952 56.860 54.840 0.113 0.000 0.752 680 L CB -0.394 41.672 42.059 0.011 0.000 0.896 680 L HN 0.136 nan 8.230 nan 0.000 0.433 681 D N -1.448 119.042 120.400 0.150 0.000 2.133 681 D HA -0.258 4.346 4.640 -0.060 0.000 0.195 681 D C 2.080 178.484 176.300 0.173 0.000 0.997 681 D CA 1.736 55.816 54.000 0.134 0.000 0.840 681 D CB -0.113 40.753 40.800 0.110 0.000 0.947 681 D HN 0.568 nan 8.370 nan 0.000 0.452 682 H N -1.066 118.078 119.070 0.124 0.000 2.436 682 H HA -0.033 4.487 4.556 -0.060 0.000 0.294 682 H C 1.695 177.096 175.328 0.121 0.000 1.048 682 H CA 1.151 57.252 56.048 0.088 0.000 1.353 682 H CB -0.291 29.490 29.762 0.031 0.000 1.414 682 H HN 0.157 nan 8.280 nan 0.000 0.536 683 Y N 0.339 120.647 120.300 0.012 0.000 2.151 683 Y HA -0.214 4.300 4.550 -0.060 0.000 0.284 683 Y C 2.341 178.218 175.900 -0.040 0.000 1.166 683 Y CA 1.562 59.669 58.100 0.011 0.000 1.163 683 Y CB 0.127 38.618 38.460 0.053 0.000 0.974 683 Y HN 0.139 nan 8.280 nan 0.000 0.511 684 R N -0.466 120.113 120.500 0.132 0.000 2.193 684 R HA -0.038 4.266 4.340 -0.060 0.000 0.213 684 R C 1.317 177.619 176.300 0.003 0.000 1.055 684 R CA 0.569 56.700 56.100 0.052 0.000 0.995 684 R CB -0.507 29.825 30.300 0.053 0.000 0.893 684 R HN 0.386 nan 8.270 nan 0.000 0.459 685 N N 0.736 119.416 118.700 -0.033 0.000 2.353 685 N HA -0.032 4.672 4.740 -0.060 0.000 0.185 685 N C 0.023 175.475 175.510 -0.098 0.000 1.098 685 N CA 0.394 53.419 53.050 -0.043 0.000 0.872 685 N CB 0.487 38.983 38.487 0.015 0.000 0.970 685 N HN 0.094 nan 8.380 nan 0.000 0.467 686 S N -0.583 115.024 115.700 -0.155 0.000 2.661 686 S HA 0.123 4.557 4.470 -0.060 0.000 0.245 686 S C 0.328 174.968 174.600 0.068 0.000 1.117 686 S CA -0.779 57.380 58.200 -0.069 0.000 1.091 686 S CB -0.117 62.971 63.200 -0.187 0.000 0.887 686 S HN 0.134 nan 8.310 nan 0.000 0.491 687 T N -1.831 112.726 114.554 0.005 0.000 2.934 687 T HA 0.557 4.871 4.350 -0.060 0.000 0.283 687 T C 1.251 175.947 174.700 -0.007 0.000 1.005 687 T CA -0.638 61.455 62.100 -0.012 0.000 1.041 687 T CB 1.363 70.195 68.868 -0.060 0.000 1.042 687 T HN -0.023 nan 8.240 nan 0.000 0.505 688 V N 1.843 121.748 119.914 -0.015 0.000 2.379 688 V HA -0.098 3.986 4.120 -0.060 0.000 0.245 688 V C 2.648 178.715 176.094 -0.045 0.000 1.044 688 V CA 1.534 63.813 62.300 -0.034 0.000 1.036 688 V CB -0.947 30.848 31.823 -0.046 0.000 0.664 688 V HN 0.835 nan 8.190 nan 0.000 0.453 689 M N 1.287 120.848 119.600 -0.066 0.000 2.108 689 M HA -0.201 4.243 4.480 -0.060 0.000 0.257 689 M C 2.326 178.599 176.300 -0.045 0.000 1.071 689 M CA 2.368 57.623 55.300 -0.075 0.000 1.093 689 M CB -0.984 31.586 32.600 -0.051 0.000 1.345 689 M HN 0.534 nan 8.290 nan 0.000 0.403 690 S N -0.511 115.175 115.700 -0.023 0.000 2.515 690 S HA -0.041 4.393 4.470 -0.060 0.000 0.231 690 S C 1.732 176.338 174.600 0.009 0.000 0.987 690 S CA 0.563 58.759 58.200 -0.008 0.000 0.936 690 S CB -0.399 62.797 63.200 -0.007 0.000 0.766 690 S HN 0.536 nan 8.310 nan 0.000 0.528 691 R N 0.355 120.872 120.500 0.028 0.000 2.393 691 R HA 0.429 4.733 4.340 -0.060 0.000 0.244 691 R C 2.179 178.580 176.300 0.169 0.000 0.920 691 R CA 0.446 56.587 56.100 0.069 0.000 1.076 691 R CB -0.211 30.122 30.300 0.056 0.000 1.119 691 R HN 0.489 nan 8.270 nan 0.000 0.524 692 A N 1.651 124.530 122.820 0.097 0.000 1.917 692 A HA -0.281 4.003 4.320 -0.060 0.000 0.219 692 A C 2.025 179.699 177.584 0.151 0.000 1.182 692 A CA 1.861 53.933 52.037 0.058 0.000 0.633 692 A CB -0.277 18.665 19.000 -0.097 0.000 0.819 692 A HN 0.260 nan 8.150 nan 0.000 0.448 693 E N 0.720 120.975 120.200 0.092 0.000 2.070 693 E HA -0.220 4.095 4.350 -0.060 0.000 0.197 693 E C 1.676 178.333 176.600 0.096 0.000 1.004 693 E CA 1.822 58.269 56.400 0.078 0.000 0.805 693 E CB -0.292 29.436 29.700 0.046 0.000 0.744 693 E HN 0.599 nan 8.360 nan 0.000 0.451 694 N N -0.455 118.292 118.700 0.079 0.000 2.430 694 N HA -0.147 4.557 4.740 -0.060 0.000 0.186 694 N C 1.082 176.568 175.510 -0.039 0.000 1.032 694 N CA 0.664 53.714 53.050 -0.001 0.000 0.893 694 N CB -0.291 38.148 38.487 -0.079 0.000 0.957 694 N HN 0.234 nan 8.380 nan 0.000 0.442 695 F N 1.328 121.235 119.950 -0.071 0.000 2.546 695 F HA 0.022 4.512 4.527 -0.061 0.000 0.298 695 F C 1.932 177.736 175.800 0.007 0.000 1.120 695 F CA 0.598 58.552 58.000 -0.077 0.000 1.456 695 F CB 0.013 38.915 39.000 -0.164 0.000 1.088 695 F HN -0.061 nan 8.300 nan 0.000 0.572 696 K N -0.072 120.424 120.400 0.161 0.000 2.360 696 K HA -0.180 4.104 4.320 -0.060 0.000 0.201 696 K C 1.596 178.252 176.600 0.093 0.000 1.046 696 K CA 1.033 57.395 56.287 0.125 0.000 0.945 696 K CB -0.148 32.407 32.500 0.092 0.000 0.750 696 K HN 0.438 nan 8.250 nan 0.000 0.464 697 Q N -0.007 119.828 119.800 0.059 0.000 2.408 697 Q HA 0.032 4.336 4.340 -0.060 0.000 0.205 697 Q C 0.461 176.499 176.000 0.063 0.000 0.919 697 Q CA 0.170 55.999 55.803 0.043 0.000 0.932 697 Q CB 0.719 29.463 28.738 0.009 0.000 1.058 697 Q HN 0.138 nan 8.270 nan 0.000 0.517 698 V N -2.711 117.252 119.914 0.083 0.000 3.126 698 V HA 0.473 4.557 4.120 -0.060 0.000 0.314 698 V C -1.084 175.148 176.094 0.230 0.000 1.138 698 V CA -1.245 61.133 62.300 0.130 0.000 1.034 698 V CB 2.235 34.101 31.823 0.071 0.000 1.075 698 V HN -0.035 nan 8.190 nan 0.000 0.442 699 E N 1.336 121.701 120.200 0.275 0.000 2.146 699 E HA 0.428 4.742 4.350 -0.060 0.000 0.282 699 E C -1.905 175.069 176.600 0.624 0.000 0.989 699 E CA -0.365 56.266 56.400 0.386 0.000 0.799 699 E CB 1.804 31.646 29.700 0.236 0.000 1.088 699 E HN 0.692 nan 8.360 nan 0.000 0.397 700 Y N 3.416 123.994 120.300 0.464 0.000 2.350 700 Y HA 0.383 4.898 4.550 -0.058 0.000 0.338 700 Y C -1.576 174.416 175.900 0.153 0.000 0.961 700 Y CA -1.383 56.928 58.100 0.353 0.000 1.100 700 Y CB 0.987 39.677 38.460 0.384 0.000 1.179 700 Y HN 0.413 nan 8.280 nan 0.000 0.454 701 L N 7.715 128.605 121.223 -0.555 0.000 2.305 701 L HA 0.606 4.910 4.340 -0.060 0.000 0.284 701 L C -2.042 174.352 176.870 -0.793 0.000 1.013 701 L CA -0.769 53.596 54.840 -0.793 0.000 0.819 701 L CB 1.238 42.502 42.059 -1.325 0.000 1.227 701 L HN 0.646 nan 8.230 nan 0.000 0.417 702 L N 6.817 127.690 121.223 -0.583 0.000 2.325 702 L HA 0.683 4.987 4.340 -0.060 0.000 0.281 702 L C -1.167 175.579 176.870 -0.206 0.000 1.004 702 L CA -0.040 54.524 54.840 -0.461 0.000 0.823 702 L CB 1.187 43.025 42.059 -0.369 0.000 1.236 702 L HN 0.568 nan 8.230 nan 0.000 0.415 703 I N 4.559 125.012 120.570 -0.196 0.000 2.533 703 I HA 0.449 4.583 4.170 -0.060 0.000 0.290 703 I C -1.178 174.901 176.117 -0.063 0.000 1.056 703 I CA -0.671 60.567 61.300 -0.105 0.000 1.057 703 I CB 2.001 39.896 38.000 -0.174 0.000 1.240 703 I HN 0.672 nan 8.210 nan 0.000 0.423 704 H N 2.465 121.584 119.070 0.083 0.000 3.086 704 H HA 0.487 5.007 4.556 -0.059 0.000 0.353 704 H C -0.330 175.233 175.328 0.391 0.000 1.134 704 H CA -0.594 55.557 56.048 0.171 0.000 1.248 704 H CB 2.068 31.885 29.762 0.091 0.000 1.878 704 H HN 0.750 nan 8.280 nan 0.000 0.527 705 G N 0.890 110.045 108.800 0.592 0.000 2.372 705 G HA2 0.218 4.142 3.960 -0.060 0.000 0.283 705 G HA3 0.218 4.142 3.960 -0.060 0.000 0.283 705 G C 1.128 176.289 174.900 0.435 0.000 1.177 705 G CA 0.109 45.503 45.100 0.491 0.000 0.842 705 G HN 0.740 nan 8.290 nan 0.000 0.503 706 T N -0.800 113.873 114.554 0.199 0.000 2.995 706 T HA 0.105 4.419 4.350 -0.060 0.000 0.269 706 T C 1.623 176.307 174.700 -0.027 0.000 1.091 706 T CA 1.216 63.247 62.100 -0.115 0.000 1.128 706 T CB 0.179 68.916 68.868 -0.219 0.000 0.891 706 T HN 0.697 nan 8.240 nan 0.000 0.492 707 A N 1.177 124.065 122.820 0.113 0.000 2.842 707 A HA 0.335 4.619 4.320 -0.060 0.000 0.298 707 A C 0.275 177.874 177.584 0.024 0.000 1.293 707 A CA -0.535 51.581 52.037 0.132 0.000 0.959 707 A CB -0.307 19.022 19.000 0.549 0.000 1.119 707 A HN 0.365 nan 8.150 nan 0.000 0.564 708 D N 1.435 121.827 120.400 -0.012 0.000 2.352 708 D HA 0.019 4.623 4.640 -0.060 0.000 0.245 708 D C 0.364 176.634 176.300 -0.049 0.000 1.224 708 D CA -0.004 54.080 54.000 0.140 0.000 0.879 708 D CB 0.729 41.761 40.800 0.387 0.000 1.057 708 D HN 0.560 nan 8.370 nan 0.000 0.491 709 D N 2.125 122.548 120.400 0.038 0.000 2.348 709 D HA -0.098 4.506 4.640 -0.060 0.000 0.211 709 D C 0.946 177.212 176.300 -0.057 0.000 0.998 709 D CA 0.121 54.092 54.000 -0.048 0.000 0.873 709 D CB 0.300 41.019 40.800 -0.135 0.000 0.925 709 D HN 0.435 nan 8.370 nan 0.000 0.524 710 N N -0.033 118.722 118.700 0.093 0.000 2.418 710 N HA -0.015 4.689 4.740 -0.060 0.000 0.199 710 N C -0.225 175.221 175.510 -0.106 0.000 1.044 710 N CA 0.131 53.286 53.050 0.175 0.000 0.943 710 N CB 0.793 39.371 38.487 0.152 0.000 1.154 710 N HN -0.178 nan 8.380 nan 0.000 0.467 711 V N 2.436 122.280 119.914 -0.117 0.000 2.304 711 V HA 0.210 4.294 4.120 -0.060 0.000 0.269 711 V C -0.879 175.254 176.094 0.064 0.000 1.036 711 V CA -0.370 61.910 62.300 -0.034 0.000 0.840 711 V CB 0.040 31.873 31.823 0.017 0.000 1.036 711 V HN 0.334 nan 8.190 nan 0.000 0.466 712 H N 3.323 122.358 119.070 -0.060 0.000 2.897 712 H HA -0.001 4.518 4.556 -0.060 0.000 0.347 712 H C 0.799 175.943 175.328 -0.307 0.000 1.068 712 H CA -0.048 55.871 56.048 -0.216 0.000 1.426 712 H CB 0.770 30.323 29.762 -0.347 0.000 1.410 712 H HN 0.639 nan 8.280 nan 0.000 0.597 713 F N 2.178 121.882 119.950 -0.410 0.000 2.184 713 F HA -0.326 4.164 4.527 -0.062 0.000 0.301 713 F C 2.598 178.102 175.800 -0.494 0.000 1.076 713 F CA 1.874 59.443 58.000 -0.719 0.000 1.295 713 F CB -0.206 38.562 39.000 -0.386 0.000 1.026 713 F HN 0.682 nan 8.300 nan 0.000 0.494 714 Q N 0.162 119.799 119.800 -0.270 0.000 2.182 714 Q HA -0.347 3.957 4.340 -0.060 0.000 0.213 714 Q C 2.054 177.783 176.000 -0.453 0.000 1.000 714 Q CA 2.519 58.114 55.803 -0.347 0.000 0.889 714 Q CB -0.391 28.121 28.738 -0.377 0.000 0.932 714 Q HN 0.628 nan 8.270 nan 0.000 0.415 715 Q N -0.586 118.986 119.800 -0.381 0.000 2.079 715 Q HA -0.087 4.217 4.340 -0.060 0.000 0.200 715 Q C 2.235 178.126 176.000 -0.182 0.000 0.974 715 Q CA 1.577 57.274 55.803 -0.176 0.000 0.840 715 Q CB 0.034 28.770 28.738 -0.003 0.000 0.898 715 Q HN 0.325 nan 8.270 nan 0.000 0.430 716 S N 0.691 116.189 115.700 -0.336 0.000 2.414 716 S HA 0.008 4.442 4.470 -0.060 0.000 0.227 716 S C 2.044 176.401 174.600 -0.405 0.000 1.022 716 S CA 0.654 58.672 58.200 -0.304 0.000 0.958 716 S CB -0.052 63.010 63.200 -0.232 0.000 0.797 716 S HN 0.449 nan 8.310 nan 0.000 0.493 717 A N 1.474 123.935 122.820 -0.597 0.000 1.940 717 A HA -0.160 4.124 4.320 -0.060 0.000 0.219 717 A C 2.133 179.602 177.584 -0.191 0.000 1.176 717 A CA 1.247 53.063 52.037 -0.369 0.000 0.631 717 A CB -0.409 18.415 19.000 -0.292 0.000 0.814 717 A HN 0.372 nan 8.150 nan 0.000 0.446 718 Q N -0.583 119.111 119.800 -0.178 0.000 2.137 718 Q HA 0.015 4.319 4.340 -0.060 0.000 0.198 718 Q C 2.159 178.102 176.000 -0.095 0.000 0.960 718 Q CA 0.967 56.722 55.803 -0.081 0.000 0.847 718 Q CB -0.330 28.424 28.738 0.027 0.000 0.915 718 Q HN 0.776 nan 8.270 nan 0.000 0.448 719 I N 1.368 121.856 120.570 -0.136 0.000 2.127 719 I HA -0.329 3.805 4.170 -0.060 0.000 0.241 719 I C 2.583 178.526 176.117 -0.290 0.000 1.075 719 I CA 1.666 62.837 61.300 -0.214 0.000 1.334 719 I CB -0.534 37.343 38.000 -0.205 0.000 1.040 719 I HN 0.191 nan 8.210 nan 0.000 0.405 720 S N 0.817 116.375 115.700 -0.238 0.000 2.370 720 S HA -0.302 4.132 4.470 -0.060 0.000 0.226 720 S C 2.029 176.599 174.600 -0.049 0.000 1.033 720 S CA 1.628 59.724 58.200 -0.172 0.000 1.011 720 S CB -0.530 62.729 63.200 0.098 0.000 0.852 720 S HN 0.394 nan 8.310 nan 0.000 0.457 721 K N 1.628 122.002 120.400 -0.043 0.000 2.097 721 K HA 0.041 4.325 4.320 -0.060 0.000 0.206 721 K C 2.249 178.830 176.600 -0.033 0.000 1.049 721 K CA 1.085 57.365 56.287 -0.011 0.000 0.933 721 K CB -0.582 31.908 32.500 -0.017 0.000 0.717 721 K HN 0.473 nan 8.250 nan 0.000 0.442 722 A N 0.887 123.655 122.820 -0.087 0.000 1.929 722 A HA -0.051 4.233 4.320 -0.060 0.000 0.216 722 A C 2.028 179.541 177.584 -0.119 0.000 1.176 722 A CA 0.982 52.962 52.037 -0.096 0.000 0.628 722 A CB -0.456 18.471 19.000 -0.122 0.000 0.816 722 A HN 0.285 nan 8.150 nan 0.000 0.444 723 L N -0.550 120.543 121.223 -0.217 0.000 2.093 723 L HA -0.131 4.173 4.340 -0.060 0.000 0.208 723 L C 2.459 179.351 176.870 0.037 0.000 1.085 723 L CA 0.857 55.570 54.840 -0.210 0.000 0.755 723 L CB -0.558 41.143 42.059 -0.596 0.000 0.904 723 L HN 0.225 nan 8.230 nan 0.000 0.435 724 V N -0.250 119.730 119.914 0.109 0.000 2.427 724 V HA -0.267 3.817 4.120 -0.060 0.000 0.248 724 V C 1.987 178.125 176.094 0.074 0.000 1.051 724 V CA 1.769 64.157 62.300 0.147 0.000 1.048 724 V CB -0.485 31.425 31.823 0.145 0.000 0.666 724 V HN 0.419 nan 8.190 nan 0.000 0.456 725 D N 0.286 120.708 120.400 0.037 0.000 2.219 725 D HA -0.094 4.510 4.640 -0.060 0.000 0.205 725 D C 1.799 178.114 176.300 0.026 0.000 0.970 725 D CA 1.603 55.617 54.000 0.024 0.000 0.851 725 D CB -0.003 40.802 40.800 0.009 0.000 0.943 725 D HN 0.560 nan 8.370 nan 0.000 0.488 726 V N -3.789 116.142 119.914 0.027 0.000 3.542 726 V HA 0.496 4.580 4.120 -0.060 0.000 0.296 726 V C 1.277 177.404 176.094 0.054 0.000 1.364 726 V CA 0.327 62.647 62.300 0.034 0.000 1.118 726 V CB -0.027 31.812 31.823 0.027 0.000 0.972 726 V HN 0.137 nan 8.190 nan 0.000 0.430 727 G N 0.429 109.270 108.800 0.068 0.000 2.182 727 G HA2 -0.191 3.733 3.960 -0.060 0.000 0.248 727 G HA3 -0.191 3.733 3.960 -0.060 0.000 0.248 727 G C -0.053 174.913 174.900 0.110 0.000 1.042 727 G CA 0.160 45.309 45.100 0.081 0.000 0.775 727 G HN 0.806 nan 8.290 nan 0.000 0.501 728 V N 0.645 120.646 119.914 0.145 0.000 2.432 728 V HA 0.434 4.518 4.120 -0.060 0.000 0.275 728 V C 0.453 176.740 176.094 0.322 0.000 1.043 728 V CA -0.437 61.984 62.300 0.200 0.000 0.925 728 V CB 1.665 33.592 31.823 0.173 0.000 0.985 728 V HN 0.417 nan 8.190 nan 0.000 0.466 729 D N 4.400 124.956 120.400 0.261 0.000 2.304 729 D HA 0.551 5.155 4.640 -0.060 0.000 0.250 729 D C -0.537 175.988 176.300 0.374 0.000 1.107 729 D CA 0.162 54.294 54.000 0.221 0.000 0.885 729 D CB 0.644 41.508 40.800 0.107 0.000 1.192 729 D HN 0.359 nan 8.370 nan 0.000 0.436 730 F N 0.258 120.286 119.950 0.129 0.000 2.745 730 F HA 0.577 5.067 4.527 -0.061 0.000 0.316 730 F C -1.117 174.745 175.800 0.103 0.000 1.155 730 F CA -1.272 56.829 58.000 0.168 0.000 0.937 730 F CB 0.971 40.104 39.000 0.221 0.000 1.361 730 F HN 0.009 nan 8.300 nan 0.000 0.472 731 Q N 1.406 121.307 119.800 0.170 0.000 2.256 731 Q HA 0.810 5.114 4.340 -0.060 0.000 0.257 731 Q C -0.883 175.128 176.000 0.018 0.000 0.936 731 Q CA -0.577 55.237 55.803 0.019 0.000 0.903 731 Q CB 1.935 30.716 28.738 0.072 0.000 1.263 731 Q HN 0.968 nan 8.270 nan 0.000 0.440 732 A N 2.216 125.021 122.820 -0.025 0.000 2.479 732 A HA 0.938 5.222 4.320 -0.060 0.000 0.296 732 A C -1.435 176.106 177.584 -0.072 0.000 1.121 732 A CA -0.636 51.410 52.037 0.015 0.000 0.743 732 A CB 1.638 20.720 19.000 0.136 0.000 1.323 732 A HN 0.634 nan 8.150 nan 0.000 0.415 733 M N 1.083 120.625 119.600 -0.097 0.000 2.274 733 M HA 0.517 4.961 4.480 -0.060 0.000 0.272 733 M C -1.954 174.247 176.300 -0.165 0.000 1.053 733 M CA -0.556 54.552 55.300 -0.320 0.000 0.978 733 M CB 1.094 33.397 32.600 -0.494 0.000 1.836 733 M HN 0.914 nan 8.290 nan 0.000 0.484 734 W N 4.450 125.616 121.300 -0.222 0.000 2.448 734 W HA 0.767 5.392 4.660 -0.058 0.000 0.339 734 W C -1.943 174.331 176.519 -0.408 0.000 1.124 734 W CA -0.755 56.530 57.345 -0.100 0.000 1.262 734 W CB 0.321 29.762 29.460 -0.031 0.000 1.251 734 W HN 0.614 nan 8.180 nan 0.000 0.597 735 Y N 2.408 122.844 120.300 0.228 0.000 2.388 735 Y HA 0.294 4.812 4.550 -0.054 0.000 0.328 735 Y C 0.512 176.535 175.900 0.204 0.000 0.963 735 Y CA -1.063 57.094 58.100 0.096 0.000 1.240 735 Y CB 1.370 39.856 38.460 0.045 0.000 1.118 735 Y HN 0.420 nan 8.280 nan 0.000 0.484 736 T N 4.689 119.419 114.554 0.294 0.000 2.831 736 T HA -0.026 4.288 4.350 -0.060 0.000 0.291 736 T C 0.194 174.967 174.700 0.122 0.000 0.981 736 T CA 0.617 62.829 62.100 0.187 0.000 1.174 736 T CB -0.123 68.797 68.868 0.086 0.000 0.929 736 T HN 0.718 nan 8.240 nan 0.000 0.532 737 D N 0.638 121.082 120.400 0.073 0.000 3.046 737 D HA -0.124 4.480 4.640 -0.060 0.000 0.210 737 D C 0.323 176.741 176.300 0.196 0.000 1.124 737 D CA 1.144 55.121 54.000 -0.038 0.000 0.986 737 D CB -0.393 40.174 40.800 -0.389 0.000 1.118 737 D HN 0.555 nan 8.370 nan 0.000 0.416 738 E N 1.005 121.348 120.200 0.237 0.000 2.349 738 E HA 0.311 4.625 4.350 -0.060 0.000 0.265 738 E C 0.812 177.596 176.600 0.308 0.000 1.064 738 E CA -0.147 56.415 56.400 0.270 0.000 0.886 738 E CB 1.037 30.890 29.700 0.254 0.000 1.036 738 E HN 0.371 nan 8.360 nan 0.000 0.413 739 D N -0.445 120.146 120.400 0.320 0.000 2.541 739 D HA 0.007 4.611 4.640 -0.060 0.000 0.276 739 D C 1.085 177.614 176.300 0.381 0.000 1.190 739 D CA -0.205 54.008 54.000 0.355 0.000 1.095 739 D CB -0.239 40.795 40.800 0.390 0.000 1.173 739 D HN 0.415 nan 8.370 nan 0.000 0.604 740 H N -1.450 117.801 119.070 0.301 0.000 2.421 740 H HA 0.089 4.610 4.556 -0.057 0.000 0.298 740 H C 1.912 177.484 175.328 0.407 0.000 1.087 740 H CA 2.264 58.509 56.048 0.329 0.000 1.330 740 H CB -0.420 29.514 29.762 0.286 0.000 1.388 740 H HN 0.489 nan 8.280 nan 0.000 0.526 741 G N -0.287 108.656 108.800 0.238 0.000 2.712 741 G HA2 -0.002 3.922 3.960 -0.060 0.000 0.212 741 G HA3 -0.002 3.922 3.960 -0.060 0.000 0.212 741 G C 0.612 175.652 174.900 0.234 0.000 1.142 741 G CA 0.286 45.438 45.100 0.087 0.000 0.789 741 G HN 0.519 nan 8.290 nan 0.000 0.535 742 I N 0.090 120.842 120.570 0.304 0.000 5.071 742 I HA -0.333 3.801 4.170 -0.060 0.000 0.126 742 I C 1.629 177.861 176.117 0.193 0.000 1.290 742 I CA 0.110 61.545 61.300 0.225 0.000 2.644 742 I CB -1.057 37.042 38.000 0.166 0.000 2.208 742 I HN 0.247 nan 8.210 nan 0.000 0.322 743 A N 0.844 123.755 122.820 0.152 0.000 2.303 743 A HA 0.253 4.537 4.320 -0.060 0.000 0.217 743 A C 1.196 178.826 177.584 0.076 0.000 1.205 743 A CA 0.186 52.281 52.037 0.097 0.000 0.875 743 A CB 0.226 19.255 19.000 0.048 0.000 0.910 743 A HN 0.450 nan 8.150 nan 0.000 0.501 744 S N 0.449 116.209 115.700 0.101 0.000 2.561 744 S HA 0.023 4.457 4.470 -0.060 0.000 0.294 744 S C 1.545 176.196 174.600 0.086 0.000 1.294 744 S CA 0.509 58.763 58.200 0.089 0.000 1.055 744 S CB 0.957 64.217 63.200 0.100 0.000 0.819 744 S HN 0.578 nan 8.310 nan 0.000 0.503 745 S N 2.492 118.226 115.700 0.057 0.000 2.368 745 S HA -0.202 4.232 4.470 -0.060 0.000 0.226 745 S C 2.314 176.970 174.600 0.093 0.000 1.044 745 S CA 2.257 60.489 58.200 0.054 0.000 1.062 745 S CB -0.792 62.424 63.200 0.026 0.000 0.931 745 S HN 0.976 nan 8.310 nan 0.000 0.440 746 T N -0.320 114.283 114.554 0.082 0.000 2.821 746 T HA 0.164 4.478 4.350 -0.060 0.000 0.267 746 T C 1.936 176.704 174.700 0.112 0.000 1.046 746 T CA 1.327 63.481 62.100 0.090 0.000 1.139 746 T CB -0.839 68.072 68.868 0.073 0.000 0.871 746 T HN 0.441 nan 8.240 nan 0.000 0.454 747 A N 1.425 124.298 122.820 0.088 0.000 1.898 747 A HA -0.066 4.218 4.320 -0.060 0.000 0.216 747 A C 2.201 179.763 177.584 -0.037 0.000 1.181 747 A CA 1.951 53.989 52.037 0.002 0.000 0.620 747 A CB -1.294 17.678 19.000 -0.045 0.000 0.819 747 A HN 0.756 nan 8.150 nan 0.000 0.442 748 H N -0.174 118.890 119.070 -0.009 0.000 2.353 748 H HA -0.160 4.351 4.556 -0.075 0.000 0.298 748 H C 2.099 177.504 175.328 0.128 0.000 1.103 748 H CA 2.387 58.481 56.048 0.077 0.000 1.293 748 H CB -0.150 29.645 29.762 0.055 0.000 1.372 748 H HN 0.581 nan 8.280 nan 0.000 0.501 749 Q N -1.182 118.646 119.800 0.047 0.000 2.119 749 Q HA -0.162 4.142 4.340 -0.060 0.000 0.201 749 Q C 2.151 178.159 176.000 0.014 0.000 0.972 749 Q CA 1.158 56.956 55.803 -0.008 0.000 0.847 749 Q CB -0.105 28.657 28.738 0.040 0.000 0.903 749 Q HN 0.648 nan 8.270 nan 0.000 0.433 750 H N 0.721 119.783 119.070 -0.013 0.000 2.326 750 H HA -0.060 4.458 4.556 -0.063 0.000 0.301 750 H C 2.050 177.396 175.328 0.029 0.000 1.081 750 H CA 1.270 57.344 56.048 0.044 0.000 1.334 750 H CB 0.014 29.858 29.762 0.138 0.000 1.385 750 H HN 0.266 nan 8.280 nan 0.000 0.504 751 I N 0.152 120.719 120.570 -0.004 0.000 2.315 751 I HA -0.314 3.820 4.170 -0.060 0.000 0.248 751 I C 1.761 177.644 176.117 -0.390 0.000 1.117 751 I CA 1.218 62.412 61.300 -0.177 0.000 1.404 751 I CB -0.250 37.464 38.000 -0.477 0.000 1.071 751 I HN 0.164 nan 8.210 nan 0.000 0.419 752 Y N 0.809 120.897 120.300 -0.354 0.000 2.263 752 Y HA -0.196 4.330 4.550 -0.040 0.000 0.292 752 Y C 2.692 178.397 175.900 -0.324 0.000 1.130 752 Y CA 1.886 59.668 58.100 -0.530 0.000 1.179 752 Y CB -0.613 37.547 38.460 -0.499 0.000 0.998 752 Y HN 0.138 nan 8.280 nan 0.000 0.532 753 T N -1.591 112.903 114.554 -0.099 0.000 2.746 753 T HA -0.250 4.064 4.350 -0.060 0.000 0.267 753 T C 1.504 176.121 174.700 -0.138 0.000 1.039 753 T CA 1.950 63.959 62.100 -0.153 0.000 1.142 753 T CB -0.456 68.327 68.868 -0.141 0.000 0.866 753 T HN 0.430 nan 8.240 nan 0.000 0.444 754 H N 0.740 119.712 119.070 -0.164 0.000 2.326 754 H HA 0.157 4.676 4.556 -0.062 0.000 0.301 754 H C 2.219 177.536 175.328 -0.019 0.000 1.081 754 H CA 1.437 57.455 56.048 -0.049 0.000 1.334 754 H CB -0.240 29.468 29.762 -0.089 0.000 1.385 754 H HN 0.221 nan 8.280 nan 0.000 0.504 755 M N -0.661 118.873 119.600 -0.110 0.000 2.159 755 M HA -0.180 4.264 4.480 -0.060 0.000 0.263 755 M C 2.392 178.788 176.300 0.160 0.000 1.063 755 M CA 1.579 56.791 55.300 -0.147 0.000 1.110 755 M CB 0.001 32.209 32.600 -0.654 0.000 1.374 755 M HN 0.226 nan 8.290 nan 0.000 0.411 756 S N -0.636 115.187 115.700 0.206 0.000 2.356 756 S HA -0.177 4.257 4.470 -0.060 0.000 0.223 756 S C 1.563 176.255 174.600 0.153 0.000 1.032 756 S CA 1.348 59.764 58.200 0.360 0.000 1.005 756 S CB -0.634 62.764 63.200 0.331 0.000 0.867 756 S HN 0.554 nan 8.310 nan 0.000 0.449 757 H N -0.465 118.663 119.070 0.096 0.000 2.319 757 H HA -0.106 4.416 4.556 -0.056 0.000 0.299 757 H C 1.938 177.266 175.328 -0.001 0.000 1.092 757 H CA 1.841 57.899 56.048 0.016 0.000 1.302 757 H CB -0.245 29.477 29.762 -0.067 0.000 1.373 757 H HN 0.363 nan 8.280 nan 0.000 0.497 758 F N 0.962 120.895 119.950 -0.028 0.000 2.069 758 F HA -0.232 4.258 4.527 -0.062 0.000 0.298 758 F C 2.132 177.879 175.800 -0.088 0.000 1.113 758 F CA 1.140 59.091 58.000 -0.082 0.000 1.214 758 F CB -0.222 38.705 39.000 -0.123 0.000 0.978 758 F HN 0.062 nan 8.300 nan 0.000 0.474 759 I N 0.620 121.202 120.570 0.020 0.000 2.226 759 I HA -0.282 3.852 4.170 -0.060 0.000 0.245 759 I C 2.249 178.170 176.117 -0.327 0.000 1.100 759 I CA 1.528 62.670 61.300 -0.264 0.000 1.374 759 I CB -1.251 36.672 38.000 -0.129 0.000 1.057 759 I HN 0.235 nan 8.210 nan 0.000 0.413 760 K N 0.580 120.933 120.400 -0.079 0.000 2.097 760 K HA -0.247 4.037 4.320 -0.060 0.000 0.206 760 K C 2.031 178.617 176.600 -0.024 0.000 1.049 760 K CA 1.783 58.074 56.287 0.006 0.000 0.933 760 K CB -0.149 32.401 32.500 0.083 0.000 0.717 760 K HN 0.461 nan 8.250 nan 0.000 0.442 761 Q N 0.545 120.288 119.800 -0.094 0.000 2.123 761 Q HA -0.120 4.184 4.340 -0.060 0.000 0.199 761 Q C 2.189 178.089 176.000 -0.167 0.000 0.966 761 Q CA 1.576 57.311 55.803 -0.112 0.000 0.845 761 Q CB -0.905 27.761 28.738 -0.121 0.000 0.907 761 Q HN 0.300 nan 8.270 nan 0.000 0.439 762 c N -0.207 118.188 118.600 -0.340 0.000 2.425 762 c HA 0.014 4.548 4.570 -0.060 0.000 0.277 762 c C 1.513 175.604 174.090 0.000 0.000 1.280 762 c CA 0.380 56.519 56.329 -0.316 0.000 1.744 762 c CB -1.127 41.035 42.510 -0.581 0.000 1.989 762 c HN 0.619 nan 8.230 nan 0.000 0.491 763 F N 1.731 121.645 119.950 -0.060 0.000 2.693 763 F HA 0.256 4.746 4.527 -0.061 0.000 0.303 763 F C 1.601 177.386 175.800 -0.024 0.000 1.097 763 F CA 0.289 58.273 58.000 -0.026 0.000 1.330 763 F CB -1.193 37.800 39.000 -0.011 0.000 1.067 763 F HN 0.219 nan 8.300 nan 0.000 0.565 764 S N 0.853 116.633 115.700 0.134 0.000 3.614 764 S HA -0.215 4.219 4.470 -0.060 0.000 0.360 764 S C -0.014 174.629 174.600 0.072 0.000 1.023 764 S CA 0.088 58.331 58.200 0.071 0.000 1.114 764 S CB -2.288 60.943 63.200 0.051 0.000 0.907 764 S HN 0.260 nan 8.310 nan 0.000 0.470 765 L N 1.841 123.118 121.223 0.090 0.000 2.264 765 L HA 0.401 4.705 4.340 -0.060 0.000 0.289 765 L C -1.036 175.871 176.870 0.063 0.000 1.044 765 L CA -2.074 52.813 54.840 0.078 0.000 0.807 765 L CB 0.247 42.367 42.059 0.101 0.000 1.192 765 L HN 0.075 nan 8.230 nan 0.000 0.425 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.127 63.100 0.046 0.000 0.800 766 P CB 0.000 31.722 31.700 0.037 0.000 0.726