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 3ofl_1_F DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAG 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.635 177.584 0.085 0.000 1.274 20 A CA 0.000 52.063 52.037 0.044 0.000 0.836 20 A CB 0.000 19.032 19.000 0.052 0.000 0.831 21 V N 1.929 121.851 119.914 0.013 0.000 2.732 21 V HA 0.544 4.664 4.120 0.000 0.000 0.297 21 V C 0.307 176.357 176.094 -0.074 0.000 1.060 21 V CA -0.237 62.073 62.300 0.018 0.000 1.038 21 V CB 1.434 33.162 31.823 -0.158 0.000 1.003 21 V HN 0.813 nan 8.190 nan 0.000 0.481 22 V N 2.717 122.690 119.914 0.099 0.000 2.823 22 V HA 0.394 4.514 4.120 0.000 0.000 0.312 22 V C 0.094 176.193 176.094 0.009 0.000 1.072 22 V CA -1.095 61.183 62.300 -0.038 0.000 0.937 22 V CB 1.979 33.798 31.823 -0.006 0.000 1.013 22 V HN 0.853 nan 8.190 nan 0.000 0.430 23 N N 2.186 120.879 118.700 -0.011 0.000 2.452 23 N HA -0.027 4.714 4.740 0.000 0.000 0.266 23 N C 1.563 177.048 175.510 -0.041 0.000 1.209 23 N CA 0.845 53.954 53.050 0.099 0.000 0.929 23 N CB 1.681 40.246 38.487 0.130 0.000 1.063 23 N HN 1.035 nan 8.380 nan 0.000 0.472 24 T N 0.393 114.890 114.554 -0.095 0.000 2.760 24 T HA -0.199 4.151 4.350 0.000 0.000 0.269 24 T C 0.866 175.285 174.700 -0.469 0.000 1.047 24 T CA 1.298 63.090 62.100 -0.513 0.000 1.139 24 T CB -0.045 68.695 68.868 -0.213 0.000 0.855 24 T HN 0.445 nan 8.240 nan 0.000 0.471 25 D N 1.419 121.704 120.400 -0.192 0.000 2.384 25 D HA -0.038 4.602 4.640 0.000 0.000 0.222 25 D C 1.129 177.372 176.300 -0.095 0.000 0.976 25 D CA 0.784 54.713 54.000 -0.117 0.000 0.915 25 D CB -0.216 40.560 40.800 -0.040 0.000 0.896 25 D HN 0.519 nan 8.370 nan 0.000 0.523 26 D N -1.068 119.260 120.400 -0.119 0.000 2.366 26 D HA -0.026 4.614 4.640 0.000 0.000 0.205 26 D C 1.136 177.472 176.300 0.060 0.000 1.022 26 D CA 0.365 54.358 54.000 -0.013 0.000 0.868 26 D CB 0.206 41.025 40.800 0.031 0.000 0.953 26 D HN 0.469 nan 8.370 nan 0.000 0.514 27 Y N -2.292 118.012 120.300 0.007 0.000 2.672 27 Y HA 0.483 5.033 4.550 0.000 0.000 0.252 27 Y C -0.295 175.647 175.900 0.071 0.000 1.132 27 Y CA -0.527 57.585 58.100 0.020 0.000 1.228 27 Y CB 0.274 38.722 38.460 -0.020 0.000 1.310 27 Y HN -0.315 nan 8.280 nan 0.000 0.549 28 V N 2.389 122.259 119.914 -0.075 0.000 2.276 28 V HA 0.252 4.372 4.120 0.000 0.000 0.268 28 V C -0.098 175.974 176.094 -0.037 0.000 1.032 28 V CA -0.595 61.692 62.300 -0.022 0.000 0.810 28 V CB 0.652 32.401 31.823 -0.124 0.000 1.060 28 V HN 0.367 nan 8.190 nan 0.000 0.446 29 T N 4.917 119.469 114.554 -0.002 0.000 2.853 29 T HA 0.311 4.661 4.350 0.000 0.000 0.298 29 T C 0.389 175.068 174.700 -0.034 0.000 0.978 29 T CA -0.070 62.023 62.100 -0.012 0.000 1.152 29 T CB 0.406 69.276 68.868 0.003 0.000 0.914 29 T HN 0.494 nan 8.240 nan 0.000 0.539 30 R N 1.737 122.218 120.500 -0.032 0.000 2.457 30 R HA 0.506 4.846 4.340 0.000 0.000 0.284 30 R C 1.211 177.480 176.300 -0.052 0.000 1.024 30 R CA -0.672 55.399 56.100 -0.048 0.000 1.025 30 R CB 0.890 31.174 30.300 -0.027 0.000 1.063 30 R HN 0.807 nan 8.270 nan 0.000 0.493 31 T N -2.225 112.272 114.554 -0.095 0.000 2.920 31 T HA 0.184 4.534 4.350 0.000 0.000 0.292 31 T C 0.909 175.528 174.700 -0.135 0.000 1.093 31 T CA -0.424 61.623 62.100 -0.088 0.000 0.944 31 T CB 0.946 69.761 68.868 -0.088 0.000 1.605 31 T HN 0.528 nan 8.240 nan 0.000 0.590 32 S N -1.102 114.538 115.700 -0.101 0.000 2.754 32 S HA 0.384 4.855 4.470 0.000 0.000 0.247 32 S C -0.141 174.408 174.600 -0.085 0.000 1.031 32 S CA -0.684 57.487 58.200 -0.048 0.000 1.014 32 S CB -0.772 62.486 63.200 0.097 0.000 0.918 32 S HN 0.558 nan 8.310 nan 0.000 0.519 33 I N 2.626 123.070 120.570 -0.210 0.000 2.304 33 I HA 0.456 4.626 4.170 0.000 0.000 0.291 33 I C -0.992 175.057 176.117 -0.114 0.000 1.018 33 I CA -0.484 60.798 61.300 -0.030 0.000 1.260 33 I CB 0.552 38.622 38.000 0.116 0.000 1.390 33 I HN 0.165 nan 8.210 nan 0.000 0.475 34 F N 5.626 125.701 119.950 0.208 0.000 2.508 34 F HA 0.578 5.106 4.527 0.000 0.000 0.325 34 F C -0.380 175.512 175.800 0.153 0.000 1.090 34 F CA -0.645 57.473 58.000 0.197 0.000 0.945 34 F CB 1.308 40.334 39.000 0.044 0.000 1.156 34 F HN 0.195 nan 8.300 nan 0.000 0.463 35 Y N 0.510 120.940 120.300 0.216 0.000 2.598 35 Y HA 0.422 4.973 4.550 0.000 0.000 0.340 35 Y C -0.428 175.405 175.900 -0.111 0.000 1.038 35 Y CA -1.009 57.146 58.100 0.092 0.000 1.100 35 Y CB 1.628 40.157 38.460 0.115 0.000 1.281 35 Y HN 0.492 nan 8.280 nan 0.000 0.488 36 H N 1.176 120.165 119.070 -0.134 0.000 2.529 36 H HA 0.849 5.405 4.556 0.000 0.000 0.348 36 H C -1.861 173.159 175.328 -0.513 0.000 1.079 36 H CA -0.766 55.074 56.048 -0.348 0.000 1.198 36 H CB 1.532 31.069 29.762 -0.376 0.000 1.521 36 H HN 0.821 nan 8.280 nan 0.000 0.514 37 A N 3.018 125.329 122.820 -0.847 0.000 2.449 37 A HA 0.724 5.044 4.320 0.000 0.000 0.302 37 A C -0.750 176.581 177.584 -0.420 0.000 1.048 37 A CA -0.163 51.550 52.037 -0.539 0.000 0.708 37 A CB 1.811 20.342 19.000 -0.782 0.000 1.274 37 A HN 0.874 nan 8.150 nan 0.000 0.410 38 G N 0.418 109.150 108.800 -0.113 0.000 2.746 38 G HA2 0.609 4.569 3.960 0.000 0.000 0.297 38 G HA3 0.609 4.569 3.960 0.000 0.000 0.297 38 G C -0.188 174.723 174.900 0.017 0.000 1.426 38 G CA 0.248 45.327 45.100 -0.035 0.000 0.989 38 G HN 1.558 nan 8.290 nan 0.000 0.520 39 S N 0.592 116.285 115.700 -0.013 0.000 2.608 39 S HA 0.507 4.978 4.470 0.000 0.000 0.261 39 S C 1.636 176.233 174.600 -0.005 0.000 1.314 39 S CA 0.530 58.717 58.200 -0.022 0.000 0.992 39 S CB 1.193 64.328 63.200 -0.109 0.000 0.935 39 S HN 1.438 nan 8.310 nan 0.000 0.564 40 S N 1.077 116.786 115.700 0.014 0.000 2.269 40 S HA 0.100 4.570 4.470 0.000 0.000 0.167 40 S C 0.664 175.268 174.600 0.007 0.000 1.319 40 S CA 0.042 58.261 58.200 0.032 0.000 2.086 40 S CB -0.495 62.736 63.200 0.052 0.000 0.582 40 S HN 0.953 nan 8.310 nan 0.000 0.360 41 R N 0.443 120.955 120.500 0.020 0.000 2.625 41 R HA 0.423 4.763 4.340 0.000 0.000 0.286 41 R C -1.626 174.705 176.300 0.053 0.000 1.406 41 R CA -0.401 55.706 56.100 0.012 0.000 1.052 41 R CB 0.300 30.613 30.300 0.022 0.000 1.203 41 R HN 0.511 nan 8.270 nan 0.000 0.502 42 L N 4.693 125.927 121.223 0.018 0.000 2.455 42 L HA 0.299 4.639 4.340 0.000 0.000 0.272 42 L C -0.288 176.728 176.870 0.242 0.000 1.174 42 L CA -0.165 54.749 54.840 0.123 0.000 0.869 42 L CB 0.579 42.496 42.059 -0.237 0.000 1.130 42 L HN 0.471 nan 8.230 nan 0.000 0.474 43 L N 2.993 124.451 121.223 0.391 0.000 2.469 43 L HA 0.800 5.141 4.340 0.000 0.000 0.256 43 L C -0.666 176.401 176.870 0.328 0.000 1.006 43 L CA 0.054 55.075 54.840 0.303 0.000 0.832 43 L CB 2.650 44.802 42.059 0.156 0.000 1.421 43 L HN 0.603 nan 8.230 nan 0.000 0.410 44 T N 2.275 116.960 114.554 0.220 0.000 3.289 44 T HA 0.624 4.974 4.350 0.000 0.000 0.370 44 T C -1.717 173.002 174.700 0.032 0.000 1.546 44 T CA 0.108 62.272 62.100 0.107 0.000 1.144 44 T CB 0.709 69.627 68.868 0.085 0.000 1.379 44 T HN 1.225 nan 8.240 nan 0.000 0.478 45 V N 1.508 121.418 119.914 -0.007 0.000 3.074 45 V HA 1.133 5.253 4.120 0.000 0.000 0.314 45 V C 0.291 176.367 176.094 -0.029 0.000 1.117 45 V CA 0.122 62.404 62.300 -0.030 0.000 1.014 45 V CB 1.337 33.146 31.823 -0.022 0.000 1.057 45 V HN 1.575 nan 8.190 nan 0.000 0.438 46 G N 0.570 109.353 108.800 -0.028 0.000 2.320 46 G HA2 0.298 4.258 3.960 0.000 0.000 0.296 46 G HA3 0.298 4.258 3.960 0.000 0.000 0.296 46 G C -1.959 172.909 174.900 -0.054 0.000 1.306 46 G CA -0.241 44.840 45.100 -0.032 0.000 0.836 46 G HN 0.994 nan 8.290 nan 0.000 0.517 47 D N 0.474 120.813 120.400 -0.102 0.000 2.350 47 D HA 0.312 4.952 4.640 0.000 0.000 0.249 47 D C -1.290 174.854 176.300 -0.259 0.000 1.119 47 D CA -1.559 52.301 54.000 -0.232 0.000 0.886 47 D CB 2.287 42.880 40.800 -0.346 0.000 1.195 47 D HN 0.063 nan 8.370 nan 0.000 0.437 48 P HA -0.023 nan 4.420 nan 0.000 0.245 48 P C 0.460 177.580 177.300 -0.300 0.000 1.206 48 P CA 0.641 63.526 63.100 -0.357 0.000 0.781 48 P CB 0.085 31.477 31.700 -0.513 0.000 0.994 49 Y N -0.388 119.773 120.300 -0.231 0.000 2.589 49 Y HA 0.263 4.813 4.550 0.000 0.000 0.271 49 Y C 0.867 176.755 175.900 -0.019 0.000 1.107 49 Y CA -0.704 57.306 58.100 -0.151 0.000 1.273 49 Y CB 0.477 38.833 38.460 -0.174 0.000 1.266 49 Y HN -0.177 nan 8.280 nan 0.000 0.504 50 F N -0.909 119.143 119.950 0.170 0.000 2.769 50 F HA 0.442 4.969 4.527 0.000 0.000 0.313 50 F C -1.096 174.749 175.800 0.075 0.000 1.146 50 F CA -2.229 55.836 58.000 0.109 0.000 0.934 50 F CB 0.616 39.674 39.000 0.096 0.000 1.283 50 F HN -0.185 nan 8.300 nan 0.000 0.443 51 R N 1.049 121.730 120.500 0.301 0.000 2.438 51 R HA 0.701 5.041 4.340 0.000 0.000 0.287 51 R C -1.493 174.983 176.300 0.293 0.000 1.077 51 R CA -0.702 55.516 56.100 0.197 0.000 1.034 51 R CB 1.187 31.558 30.300 0.119 0.000 0.993 51 R HN 0.539 nan 8.270 nan 0.000 0.459 52 V N 5.080 125.121 119.914 0.212 0.000 2.348 52 V HA 0.231 4.351 4.120 0.000 0.000 0.270 52 V C -1.941 174.231 176.094 0.131 0.000 1.037 52 V CA -2.216 60.216 62.300 0.221 0.000 0.872 52 V CB 0.965 32.907 31.823 0.198 0.000 1.002 52 V HN 0.804 nan 8.190 nan 0.000 0.464 53 P HA 0.046 nan 4.420 nan 0.000 0.258 53 P C 0.259 177.594 177.300 0.059 0.000 1.172 53 P CA 0.434 63.575 63.100 0.068 0.000 0.762 53 P CB 0.327 32.058 31.700 0.052 0.000 0.764 54 A N 4.429 127.275 122.820 0.044 0.000 2.583 54 A HA 0.327 4.647 4.320 0.000 0.000 0.231 54 A C 1.831 179.434 177.584 0.033 0.000 1.065 54 A CA 0.728 52.786 52.037 0.035 0.000 0.760 54 A CB -1.093 17.920 19.000 0.023 0.000 1.001 54 A HN 0.889 nan 8.150 nan 0.000 0.509 55 G N 0.808 109.626 108.800 0.030 0.000 2.216 55 G HA2 -0.228 3.732 3.960 0.000 0.000 0.269 55 G HA3 -0.228 3.732 3.960 0.000 0.000 0.269 55 G C 1.458 176.378 174.900 0.033 0.000 0.981 55 G CA 1.437 46.554 45.100 0.027 0.000 0.658 55 G HN 2.043 nan 8.290 nan 0.000 0.539 56 G N -0.318 108.508 108.800 0.042 0.000 2.479 56 G HA2 0.273 4.233 3.960 0.000 0.000 0.220 56 G HA3 0.273 4.233 3.960 0.000 0.000 0.220 56 G C 1.389 176.319 174.900 0.049 0.000 1.115 56 G CA 1.940 47.066 45.100 0.044 0.000 0.757 56 G HN 1.603 nan 8.290 nan 0.000 0.560 57 G N -0.584 108.251 108.800 0.058 0.000 2.408 57 G HA2 0.210 4.170 3.960 0.000 0.000 0.190 57 G HA3 0.210 4.170 3.960 0.000 0.000 0.190 57 G C 0.115 175.041 174.900 0.044 0.000 1.377 57 G CA 0.428 45.566 45.100 0.062 0.000 0.690 57 G HN 0.582 nan 8.290 nan 0.000 1.014 58 N N 0.241 118.964 118.700 0.039 0.000 2.405 58 N HA 0.187 4.928 4.740 0.000 0.000 0.274 58 N C -0.989 174.531 175.510 0.017 0.000 1.170 58 N CA -0.702 52.360 53.050 0.020 0.000 0.848 58 N CB 2.014 40.503 38.487 0.005 0.000 1.629 58 N HN 0.078 nan 8.380 nan 0.000 0.481 59 K N 1.214 121.619 120.400 0.009 0.000 2.550 59 K HA -0.141 4.179 4.320 0.000 0.000 0.280 59 K C -0.343 176.260 176.600 0.006 0.000 0.987 59 K CA 0.558 56.850 56.287 0.007 0.000 1.048 59 K CB 0.174 32.675 32.500 0.002 0.000 0.879 59 K HN 0.738 nan 8.250 nan 0.000 0.491 60 Q N 1.647 121.452 119.800 0.008 0.000 2.196 60 Q HA -0.158 4.182 4.340 0.000 0.000 0.040 60 Q C -1.651 174.356 176.000 0.013 0.000 1.413 60 Q CA 1.415 57.221 55.803 0.006 0.000 0.207 60 Q CB -0.255 28.482 28.738 -0.001 0.000 4.217 60 Q HN 0.836 nan 8.270 nan 0.000 0.303 61 D N 1.693 122.099 120.400 0.010 0.000 2.283 61 D HA 0.381 5.021 4.640 0.000 0.000 0.248 61 D C 0.166 176.474 176.300 0.013 0.000 1.072 61 D CA -0.191 53.821 54.000 0.019 0.000 0.929 61 D CB 0.539 41.348 40.800 0.015 0.000 1.182 61 D HN 0.365 nan 8.370 nan 0.000 0.433 62 I N 2.798 123.384 120.570 0.027 0.000 2.347 62 I HA 0.225 4.395 4.170 0.000 0.000 0.283 62 I C -2.288 173.835 176.117 0.011 0.000 1.058 62 I CA -2.510 58.799 61.300 0.015 0.000 1.202 62 I CB 0.297 38.313 38.000 0.027 0.000 1.386 62 I HN -0.128 nan 8.210 nan 0.000 0.475 63 P HA -0.013 nan 4.420 nan 0.000 0.267 63 P C -0.049 177.247 177.300 -0.007 0.000 1.201 63 P CA -0.150 62.943 63.100 -0.012 0.000 0.775 63 P CB 0.705 32.378 31.700 -0.045 0.000 0.854 64 K N 2.505 122.913 120.400 0.012 0.000 2.292 64 K HA 0.276 4.596 4.320 0.000 0.000 0.290 64 K C -1.285 175.334 176.600 0.032 0.000 1.083 64 K CA -0.331 55.968 56.287 0.020 0.000 0.918 64 K CB -0.056 32.484 32.500 0.066 0.000 1.089 64 K HN 0.166 nan 8.250 nan 0.000 0.473 65 V N 3.485 123.418 119.914 0.032 0.000 2.376 65 V HA 0.247 4.367 4.120 0.000 0.000 0.287 65 V C -0.305 175.898 176.094 0.181 0.000 1.015 65 V CA -0.719 61.628 62.300 0.078 0.000 0.834 65 V CB 1.153 32.994 31.823 0.031 0.000 1.001 65 V HN 0.781 nan 8.190 nan 0.000 0.428 66 S N 3.296 119.132 115.700 0.226 0.000 2.638 66 S HA 0.778 5.248 4.470 0.000 0.000 0.302 66 S C 1.035 175.813 174.600 0.296 0.000 1.096 66 S CA 0.216 58.592 58.200 0.294 0.000 0.953 66 S CB 2.179 65.539 63.200 0.267 0.000 1.107 66 S HN 0.892 nan 8.310 nan 0.000 0.503 67 A N 1.705 124.627 122.820 0.170 0.000 2.123 67 A HA 0.233 4.553 4.320 0.000 0.000 0.214 67 A C 0.263 177.709 177.584 -0.230 0.000 1.152 67 A CA 0.601 52.635 52.037 -0.005 0.000 0.728 67 A CB -0.481 18.361 19.000 -0.263 0.000 0.814 67 A HN 0.802 nan 8.150 nan 0.000 0.464 68 Y N 1.292 121.679 120.300 0.145 0.000 2.933 68 Y HA 0.336 4.886 4.550 0.000 0.000 0.380 68 Y C 0.387 176.312 175.900 0.042 0.000 1.056 68 Y CA -0.279 57.868 58.100 0.078 0.000 1.704 68 Y CB -0.275 38.227 38.460 0.070 0.000 1.558 68 Y HN 0.531 nan 8.280 nan 0.000 0.501 69 Q N -1.815 118.052 119.800 0.112 0.000 2.309 69 Q HA 0.392 4.732 4.340 0.000 0.000 0.273 69 Q C -1.481 174.561 176.000 0.069 0.000 1.040 69 Q CA -1.254 54.618 55.803 0.114 0.000 0.834 69 Q CB 1.307 30.142 28.738 0.163 0.000 1.345 69 Q HN 0.205 nan 8.270 nan 0.000 0.414 70 Y N 1.008 121.353 120.300 0.076 0.000 2.683 70 Y HA 0.100 4.650 4.550 0.000 0.000 0.340 70 Y C 0.489 176.376 175.900 -0.023 0.000 1.245 70 Y CA 0.194 58.316 58.100 0.036 0.000 1.485 70 Y CB 0.632 39.107 38.460 0.025 0.000 1.328 70 Y HN 0.326 nan 8.280 nan 0.000 0.603 71 R N 2.090 122.616 120.500 0.043 0.000 2.409 71 R HA 0.474 4.814 4.340 0.000 0.000 0.313 71 R C -1.769 174.308 176.300 -0.371 0.000 0.953 71 R CA -0.762 55.176 56.100 -0.271 0.000 0.849 71 R CB 1.498 31.480 30.300 -0.531 0.000 1.171 71 R HN 0.417 nan 8.270 nan 0.000 0.458 72 V N 5.286 125.012 119.914 -0.315 0.000 2.350 72 V HA 0.441 4.561 4.120 0.000 0.000 0.285 72 V C -0.450 175.483 176.094 -0.268 0.000 1.014 72 V CA -0.717 61.486 62.300 -0.162 0.000 0.831 72 V CB 0.966 32.881 31.823 0.153 0.000 1.000 72 V HN 0.477 nan 8.190 nan 0.000 0.433 73 F N 3.345 123.277 119.950 -0.031 0.000 2.404 73 F HA 0.579 5.106 4.527 0.000 0.000 0.339 73 F C 0.712 176.351 175.800 -0.269 0.000 1.105 73 F CA -0.608 57.325 58.000 -0.111 0.000 1.087 73 F CB 1.313 40.182 39.000 -0.218 0.000 1.143 73 F HN 0.319 nan 8.300 nan 0.000 0.491 74 R N 3.356 123.763 120.500 -0.154 0.000 2.346 74 R HA 0.466 4.806 4.340 0.000 0.000 0.309 74 R C -1.553 174.557 176.300 -0.317 0.000 1.119 74 R CA -0.375 55.373 56.100 -0.588 0.000 1.112 74 R CB 0.523 30.457 30.300 -0.610 0.000 1.132 74 R HN 0.582 nan 8.270 nan 0.000 0.538 75 V N 4.302 124.034 119.914 -0.305 0.000 2.470 75 V HA 0.036 4.156 4.120 0.000 0.000 0.276 75 V C 0.211 176.168 176.094 -0.229 0.000 1.040 75 V CA -0.070 62.100 62.300 -0.216 0.000 1.008 75 V CB 1.165 32.827 31.823 -0.268 0.000 0.990 75 V HN 0.634 nan 8.190 nan 0.000 0.477 76 Q N 5.036 124.743 119.800 -0.155 0.000 2.368 76 Q HA 0.534 4.874 4.340 0.000 0.000 0.256 76 Q C -0.859 175.046 176.000 -0.157 0.000 0.980 76 Q CA -0.033 55.693 55.803 -0.129 0.000 0.887 76 Q CB 1.072 29.768 28.738 -0.070 0.000 1.221 76 Q HN 0.701 nan 8.270 nan 0.000 0.458 77 L N 5.432 126.529 121.223 -0.211 0.000 2.416 77 L HA 0.673 5.013 4.340 0.000 0.000 0.262 77 L C -1.906 174.766 176.870 -0.330 0.000 1.093 77 L CA -2.268 52.358 54.840 -0.356 0.000 0.801 77 L CB 1.082 42.844 42.059 -0.495 0.000 1.191 77 L HN 0.580 nan 8.230 nan 0.000 0.459 78 P HA 0.025 nan 4.420 nan 0.000 0.284 78 P C -1.139 175.998 177.300 -0.271 0.000 1.253 78 P CA -0.399 62.422 63.100 -0.465 0.000 0.800 78 P CB 0.994 32.174 31.700 -0.867 0.000 0.961 79 D N 4.568 124.867 120.400 -0.167 0.000 2.412 79 D HA -0.007 4.633 4.640 0.000 0.000 0.257 79 D C -0.980 175.195 176.300 -0.207 0.000 1.217 79 D CA -1.689 52.240 54.000 -0.119 0.000 0.897 79 D CB 0.712 41.493 40.800 -0.031 0.000 1.132 79 D HN 0.233 nan 8.370 nan 0.000 0.493 80 P HA -0.153 nan 4.420 nan 0.000 0.219 80 P C 0.736 177.844 177.300 -0.321 0.000 1.146 80 P CA 0.809 63.529 63.100 -0.634 0.000 0.808 80 P CB 0.566 31.495 31.700 -1.285 0.000 0.779 81 N N 1.023 119.585 118.700 -0.231 0.000 2.148 81 N HA -0.052 4.688 4.740 0.000 0.000 0.186 81 N C 1.272 176.779 175.510 -0.004 0.000 1.031 81 N CA 1.053 54.026 53.050 -0.128 0.000 0.848 81 N CB -0.424 37.996 38.487 -0.111 0.000 1.005 81 N HN 0.299 nan 8.380 nan 0.000 0.427 82 K N 0.240 120.654 120.400 0.023 0.000 2.665 82 K HA 0.080 4.400 4.320 0.000 0.000 0.214 82 K C -0.460 176.218 176.600 0.130 0.000 1.032 82 K CA -0.146 56.177 56.287 0.060 0.000 1.198 82 K CB -0.238 32.293 32.500 0.052 0.000 0.941 82 K HN 0.034 nan 8.250 nan 0.000 0.491 83 F N 0.720 120.619 119.950 -0.084 0.000 2.469 83 F HA 0.430 4.957 4.527 0.000 0.000 0.332 83 F C 0.482 176.259 175.800 -0.038 0.000 1.103 83 F CA -1.436 56.520 58.000 -0.074 0.000 0.979 83 F CB 1.204 40.125 39.000 -0.130 0.000 1.137 83 F HN -0.004 nan 8.300 nan 0.000 0.463 84 G N 6.834 115.308 108.800 -0.544 0.000 2.334 84 G HA2 0.391 4.351 3.960 0.000 0.000 0.261 84 G HA3 0.391 4.351 3.960 0.000 0.000 0.261 84 G C -0.662 173.903 174.900 -0.558 0.000 1.257 84 G CA -0.432 44.401 45.100 -0.445 0.000 0.935 84 G HN 0.701 nan 8.290 nan 0.000 0.480 85 L N 3.980 125.070 121.223 -0.221 0.000 2.387 85 L HA 0.362 4.702 4.340 0.000 0.000 0.266 85 L C -0.705 176.159 176.870 -0.010 0.000 1.059 85 L CA -1.945 52.851 54.840 -0.073 0.000 0.801 85 L CB 1.988 44.047 42.059 -0.001 0.000 1.223 85 L HN 0.397 nan 8.230 nan 0.000 0.456 86 P HA -0.070 nan 4.420 nan 0.000 0.231 86 P C -0.593 176.728 177.300 0.036 0.000 1.158 86 P CA 0.988 64.120 63.100 0.054 0.000 0.763 86 P CB 0.104 31.850 31.700 0.076 0.000 0.805 87 D N -2.126 118.297 120.400 0.038 0.000 2.530 87 D HA 0.062 4.702 4.640 0.000 0.000 0.193 87 D C -0.735 175.594 176.300 0.049 0.000 1.243 87 D CA -0.316 53.705 54.000 0.035 0.000 0.803 87 D CB 0.004 40.827 40.800 0.039 0.000 1.955 87 D HN -0.377 nan 8.370 nan 0.000 0.529 88 T N 1.782 116.365 114.554 0.047 0.000 3.284 88 T HA 0.266 4.616 4.350 0.000 0.000 0.249 88 T C 0.717 175.472 174.700 0.092 0.000 0.944 88 T CA 0.282 62.437 62.100 0.092 0.000 0.919 88 T CB -0.241 68.668 68.868 0.067 0.000 1.089 88 T HN 0.389 nan 8.240 nan 0.000 0.576 89 S N 0.056 115.805 115.700 0.081 0.000 2.751 89 S HA 0.283 4.753 4.470 0.000 0.000 0.247 89 S C 1.024 175.676 174.600 0.086 0.000 1.103 89 S CA -0.548 57.685 58.200 0.054 0.000 1.090 89 S CB -0.231 62.981 63.200 0.021 0.000 0.928 89 S HN 0.250 nan 8.310 nan 0.000 0.502 90 I N 1.210 121.876 120.570 0.160 0.000 3.427 90 I HA 0.280 4.450 4.170 0.000 0.000 0.288 90 I C 0.699 176.937 176.117 0.202 0.000 1.249 90 I CA 0.327 61.701 61.300 0.123 0.000 1.421 90 I CB -1.138 36.890 38.000 0.047 0.000 1.086 90 I HN 0.731 nan 8.210 nan 0.000 0.448 91 Y N -0.550 119.714 120.300 -0.060 0.000 2.750 91 Y HA 0.511 5.061 4.550 0.000 0.000 0.335 91 Y C -0.921 174.937 175.900 -0.070 0.000 1.252 91 Y CA -1.663 56.394 58.100 -0.072 0.000 1.064 91 Y CB 0.995 39.393 38.460 -0.103 0.000 1.321 91 Y HN -0.076 nan 8.280 nan 0.000 0.451 92 N N 3.195 121.657 118.700 -0.396 0.000 2.501 92 N HA 0.387 5.128 4.740 0.000 0.000 0.245 92 N C -2.199 172.895 175.510 -0.692 0.000 0.974 92 N CA -2.841 49.910 53.050 -0.498 0.000 0.941 92 N CB 1.651 40.005 38.487 -0.221 0.000 1.122 92 N HN 0.429 nan 8.380 nan 0.000 0.507 93 P HA -0.124 nan 4.420 nan 0.000 0.234 93 P C 0.120 177.254 177.300 -0.277 0.000 1.162 93 P CA 0.995 63.728 63.100 -0.611 0.000 0.759 93 P CB 0.536 31.965 31.700 -0.452 0.000 0.813 94 E N -0.440 119.617 120.200 -0.240 0.000 2.166 94 E HA -0.014 4.336 4.350 0.000 0.000 0.192 94 E C 1.792 178.330 176.600 -0.103 0.000 0.967 94 E CA 1.609 57.927 56.400 -0.138 0.000 0.840 94 E CB -0.498 29.133 29.700 -0.116 0.000 0.795 94 E HN 0.393 nan 8.360 nan 0.000 0.470 95 T N -1.682 112.806 114.554 -0.111 0.000 3.044 95 T HA 0.138 4.488 4.350 0.000 0.000 0.260 95 T C 0.740 175.406 174.700 -0.056 0.000 1.019 95 T CA -0.351 61.709 62.100 -0.067 0.000 0.921 95 T CB 0.334 69.171 68.868 -0.051 0.000 1.053 95 T HN 0.079 nan 8.240 nan 0.000 0.533 96 Q N -0.188 119.568 119.800 -0.073 0.000 2.553 96 Q HA 0.706 5.046 4.340 0.000 0.000 0.293 96 Q C -1.488 174.486 176.000 -0.042 0.000 1.038 96 Q CA -1.399 54.382 55.803 -0.037 0.000 0.777 96 Q CB 1.714 30.478 28.738 0.045 0.000 1.487 96 Q HN -0.082 nan 8.270 nan 0.000 0.426 97 R N 0.450 120.811 120.500 -0.233 0.000 2.854 97 R HA 0.638 4.979 4.340 0.000 0.000 0.271 97 R C -0.875 175.124 176.300 -0.502 0.000 0.994 97 R CA -0.881 54.899 56.100 -0.532 0.000 0.945 97 R CB 1.612 31.035 30.300 -1.462 0.000 1.194 97 R HN 0.653 nan 8.270 nan 0.000 0.476 98 L N 1.087 121.956 121.223 -0.589 0.000 2.325 98 L HA 0.677 5.017 4.340 0.000 0.000 0.278 98 L C -0.354 176.264 176.870 -0.421 0.000 1.023 98 L CA -1.002 53.499 54.840 -0.566 0.000 0.811 98 L CB 1.849 43.452 42.059 -0.759 0.000 1.249 98 L HN 0.141 nan 8.230 nan 0.000 0.431 99 V N -0.030 119.663 119.914 -0.369 0.000 3.007 99 V HA 0.378 4.498 4.120 0.000 0.000 0.311 99 V C -1.220 174.695 176.094 -0.298 0.000 1.120 99 V CA -0.877 61.278 62.300 -0.242 0.000 0.980 99 V CB 2.137 33.903 31.823 -0.094 0.000 1.033 99 V HN 0.645 nan 8.190 nan 0.000 0.429 100 W N 1.646 122.843 121.300 -0.172 0.000 2.351 100 W HA 0.716 5.376 4.660 0.000 0.000 0.311 100 W C 0.161 176.611 176.519 -0.116 0.000 1.168 100 W CA -0.421 56.820 57.345 -0.172 0.000 1.200 100 W CB 1.606 30.877 29.460 -0.315 0.000 1.221 100 W HN 0.720 nan 8.180 nan 0.000 0.519 101 A N 3.580 126.572 122.820 0.285 0.000 2.318 101 A HA 0.481 4.801 4.320 0.000 0.000 0.317 101 A C -0.830 176.881 177.584 0.212 0.000 1.159 101 A CA -0.650 51.458 52.037 0.117 0.000 0.799 101 A CB 0.695 19.698 19.000 0.006 0.000 1.194 101 A HN 0.746 nan 8.150 nan 0.000 0.479 102 C N 2.273 121.637 119.300 0.107 0.000 2.653 102 C HA 0.525 4.985 4.460 0.000 0.000 0.421 102 C C 1.367 176.329 174.990 -0.047 0.000 1.334 102 C CA 0.849 59.875 59.018 0.014 0.000 1.885 102 C CB 0.033 27.752 27.740 -0.035 0.000 2.645 102 C HN 1.110 nan 8.230 nan 0.000 0.601 103 A N 3.498 126.279 122.820 -0.065 0.000 2.425 103 A HA 0.626 4.946 4.320 0.000 0.000 0.201 103 A C 0.531 178.184 177.584 0.114 0.000 1.431 103 A CA 0.635 52.707 52.037 0.058 0.000 1.066 103 A CB -0.034 19.057 19.000 0.152 0.000 1.318 103 A HN 1.433 nan 8.150 nan 0.000 0.534 104 G N -0.658 108.115 108.800 -0.045 0.000 2.759 104 G HA2 0.551 4.511 3.960 0.000 0.000 0.297 104 G HA3 0.551 4.511 3.960 0.000 0.000 0.297 104 G C -1.628 173.124 174.900 -0.247 0.000 1.434 104 G CA -0.252 44.856 45.100 0.014 0.000 0.980 104 G HN 0.579 nan 8.290 nan 0.000 0.531 105 V N 0.312 120.010 119.914 -0.360 0.000 3.049 105 V HA 0.798 4.918 4.120 0.000 0.000 0.309 105 V C -0.722 175.115 176.094 -0.428 0.000 1.148 105 V CA -0.847 61.181 62.300 -0.454 0.000 0.990 105 V CB 2.323 33.931 31.823 -0.358 0.000 1.039 105 V HN 0.936 nan 8.190 nan 0.000 0.430 106 E N 2.431 122.344 120.200 -0.479 0.000 2.466 106 E HA 0.452 4.802 4.350 0.000 0.000 0.308 106 E C -1.865 174.561 176.600 -0.290 0.000 0.933 106 E CA -0.558 55.657 56.400 -0.308 0.000 0.800 106 E CB 1.160 30.680 29.700 -0.300 0.000 1.434 106 E HN 0.596 nan 8.360 nan 0.000 0.389 107 I N 3.341 123.838 120.570 -0.122 0.000 2.379 107 I HA 0.332 4.502 4.170 0.000 0.000 0.290 107 I C 0.909 176.959 176.117 -0.112 0.000 1.063 107 I CA 0.188 61.401 61.300 -0.145 0.000 1.351 107 I CB 1.385 39.341 38.000 -0.073 0.000 1.410 107 I HN 0.470 nan 8.210 nan 0.000 0.505 108 G N 6.333 115.033 108.800 -0.166 0.000 2.389 108 G HA2 0.640 4.600 3.960 0.000 0.000 0.317 108 G HA3 0.640 4.600 3.960 0.000 0.000 0.317 108 G C -0.320 174.447 174.900 -0.221 0.000 1.137 108 G CA -0.667 44.348 45.100 -0.142 0.000 0.870 108 G HN 0.343 nan 8.290 nan 0.000 0.496 109 R N 0.700 121.076 120.500 -0.206 0.000 2.599 109 R HA 0.479 4.819 4.340 0.000 0.000 0.295 109 R C 0.862 177.042 176.300 -0.201 0.000 0.963 109 R CA -0.374 55.534 56.100 -0.319 0.000 0.883 109 R CB 1.826 31.949 30.300 -0.295 0.000 1.171 109 R HN 0.613 nan 8.270 nan 0.000 0.450 110 G N 1.517 110.185 108.800 -0.220 0.000 2.655 110 G HA2 -0.068 3.892 3.960 0.000 0.000 0.217 110 G HA3 -0.068 3.892 3.960 0.000 0.000 0.217 110 G C 0.063 174.909 174.900 -0.089 0.000 1.279 110 G CA 0.022 45.046 45.100 -0.128 0.000 0.870 110 G HN 0.359 nan 8.290 nan 0.000 0.560 111 Q N 1.294 121.042 119.800 -0.086 0.000 2.593 111 Q HA 0.063 4.403 4.340 0.000 0.000 0.285 111 Q C -2.028 173.954 176.000 -0.030 0.000 1.185 111 Q CA -0.326 55.450 55.803 -0.045 0.000 1.012 111 Q CB -0.301 28.418 28.738 -0.032 0.000 1.322 111 Q HN 0.306 nan 8.270 nan 0.000 0.500 112 P HA 0.209 nan 4.420 nan 0.000 0.284 112 P C -0.541 176.766 177.300 0.012 0.000 1.258 112 P CA -0.645 62.455 63.100 0.001 0.000 0.824 112 P CB 0.689 32.392 31.700 0.005 0.000 1.038 113 L N 1.185 122.418 121.223 0.016 0.000 2.499 113 L HA 0.445 4.785 4.340 0.000 0.000 0.281 113 L C 1.403 178.290 176.870 0.029 0.000 1.234 113 L CA 1.713 56.569 54.840 0.026 0.000 0.839 113 L CB -0.755 41.321 42.059 0.029 0.000 1.104 113 L HN 0.776 nan 8.230 nan 0.000 0.500 114 G N 0.594 109.415 108.800 0.035 0.000 2.489 114 G HA2 0.557 4.517 3.960 0.000 0.000 0.291 114 G HA3 0.557 4.517 3.960 0.000 0.000 0.291 114 G C -1.695 173.229 174.900 0.041 0.000 1.487 114 G CA -0.170 44.952 45.100 0.036 0.000 0.795 114 G HN 0.661 nan 8.290 nan 0.000 0.513 115 V N -1.407 118.532 119.914 0.042 0.000 2.628 115 V HA 1.029 5.150 4.120 0.000 0.000 0.306 115 V C 0.371 176.492 176.094 0.045 0.000 1.045 115 V CA -0.172 62.162 62.300 0.057 0.000 0.905 115 V CB 1.434 33.294 31.823 0.061 0.000 0.997 115 V HN 1.768 nan 8.190 nan 0.000 0.436 116 G N 3.200 112.040 108.800 0.067 0.000 2.620 116 G HA2 0.682 4.642 3.960 0.000 0.000 0.301 116 G HA3 0.682 4.642 3.960 0.000 0.000 0.301 116 G C -1.269 173.668 174.900 0.061 0.000 1.347 116 G CA -0.991 44.137 45.100 0.048 0.000 0.971 116 G HN 0.842 nan 8.290 nan 0.000 0.488 117 L N 0.570 121.809 121.223 0.027 0.000 2.387 117 L HA 0.733 5.073 4.340 0.000 0.000 0.266 117 L C 0.211 177.077 176.870 -0.006 0.000 1.059 117 L CA -0.734 54.081 54.840 -0.042 0.000 0.801 117 L CB 1.967 43.999 42.059 -0.046 0.000 1.223 117 L HN 0.463 nan 8.230 nan 0.000 0.456 118 S N -0.400 115.175 115.700 -0.209 0.000 2.540 118 S HA 0.844 5.314 4.470 0.000 0.000 0.275 118 S C -0.200 174.209 174.600 -0.318 0.000 1.123 118 S CA -0.582 57.480 58.200 -0.231 0.000 0.907 118 S CB 2.178 65.177 63.200 -0.335 0.000 1.081 118 S HN 0.905 nan 8.310 nan 0.000 0.476 119 G N 0.804 109.384 108.800 -0.366 0.000 2.815 119 G HA2 0.664 4.624 3.960 0.000 0.000 0.305 119 G HA3 0.664 4.624 3.960 0.000 0.000 0.305 119 G C -2.029 172.758 174.900 -0.189 0.000 1.277 119 G CA -0.377 44.573 45.100 -0.251 0.000 0.795 119 G HN 0.656 nan 8.290 nan 0.000 0.528 120 H N -0.562 118.388 119.070 -0.199 0.000 3.026 120 H HA 0.379 4.935 4.556 0.000 0.000 0.352 120 H C -2.277 172.935 175.328 -0.194 0.000 1.090 120 H CA -1.254 54.706 56.048 -0.147 0.000 1.268 120 H CB 2.856 32.617 29.762 -0.001 0.000 1.816 120 H HN 0.114 nan 8.280 nan 0.000 0.518 121 P HA 0.005 nan 4.420 nan 0.000 0.220 121 P C -0.133 176.898 177.300 -0.448 0.000 1.148 121 P CA 1.271 64.124 63.100 -0.411 0.000 0.803 121 P CB 0.124 31.362 31.700 -0.770 0.000 0.782 122 F N -2.823 117.352 119.950 0.374 0.000 2.597 122 F HA 0.262 4.789 4.527 0.000 0.000 0.336 122 F C 0.230 175.894 175.800 -0.227 0.000 1.432 122 F CA -1.298 56.727 58.000 0.041 0.000 1.120 122 F CB 0.011 39.029 39.000 0.030 0.000 1.253 122 F HN -0.192 nan 8.300 nan 0.000 0.546 123 Y N 1.944 122.140 120.300 -0.174 0.000 2.497 123 Y HA 0.069 4.619 4.550 0.000 0.000 0.334 123 Y C 0.667 176.432 175.900 -0.225 0.000 1.199 123 Y CA -0.252 57.676 58.100 -0.288 0.000 1.425 123 Y CB 0.531 38.845 38.460 -0.243 0.000 1.291 123 Y HN 0.289 nan 8.280 nan 0.000 0.562 124 N N 5.604 123.962 118.700 -0.570 0.000 2.868 124 N HA 0.082 4.822 4.740 0.000 0.000 0.252 124 N C -1.379 173.929 175.510 -0.338 0.000 1.130 124 N CA -0.203 52.623 53.050 -0.374 0.000 1.026 124 N CB -0.141 38.137 38.487 -0.349 0.000 1.335 124 N HN 0.558 nan 8.380 nan 0.000 0.516 125 K N 4.037 124.342 120.400 -0.158 0.000 2.449 125 K HA 0.139 4.460 4.320 0.000 0.000 0.257 125 K C 0.373 176.896 176.600 -0.129 0.000 0.989 125 K CA -0.616 55.567 56.287 -0.174 0.000 0.916 125 K CB 0.911 33.156 32.500 -0.426 0.000 1.136 125 K HN 0.281 nan 8.250 nan 0.000 0.439 126 L N 3.898 125.092 121.223 -0.048 0.000 1.973 126 L HA -0.028 4.312 4.340 0.000 0.000 0.208 126 L C -0.404 176.478 176.870 0.021 0.000 1.073 126 L CA 2.141 56.976 54.840 -0.009 0.000 0.746 126 L CB -0.173 41.898 42.059 0.019 0.000 0.891 126 L HN 0.916 nan 8.230 nan 0.000 0.433 127 D N -3.563 116.896 120.400 0.100 0.000 2.755 127 D HA 0.180 4.820 4.640 0.000 0.000 0.277 127 D C -1.546 174.966 176.300 0.354 0.000 1.261 127 D CA -0.647 53.451 54.000 0.164 0.000 0.759 127 D CB 0.021 40.899 40.800 0.130 0.000 1.279 127 D HN -0.006 nan 8.370 nan 0.000 0.420 128 D N -0.801 119.818 120.400 0.364 0.000 2.358 128 D HA 0.319 4.959 4.640 0.000 0.000 0.258 128 D C 0.779 177.253 176.300 0.289 0.000 1.223 128 D CA 0.077 54.326 54.000 0.414 0.000 0.886 128 D CB 0.838 41.822 40.800 0.307 0.000 1.120 128 D HN 0.453 nan 8.370 nan 0.000 0.482 129 T N -0.078 114.661 114.554 0.308 0.000 3.092 129 T HA 0.080 4.430 4.350 0.000 0.000 0.258 129 T C 1.311 176.128 174.700 0.195 0.000 1.031 129 T CA -0.299 61.948 62.100 0.245 0.000 0.925 129 T CB 0.065 69.123 68.868 0.317 0.000 1.036 129 T HN 0.502 nan 8.240 nan 0.000 0.544 130 E N 2.280 122.589 120.200 0.182 0.000 2.106 130 E HA -0.089 4.262 4.350 0.000 0.000 0.192 130 E C 0.580 177.208 176.600 0.048 0.000 0.984 130 E CA 1.277 57.748 56.400 0.118 0.000 0.806 130 E CB 0.167 29.731 29.700 -0.227 0.000 0.750 130 E HN 0.656 nan 8.360 nan 0.000 0.458 131 S N -0.287 115.435 115.700 0.037 0.000 2.703 131 S HA 0.016 4.486 4.470 0.000 0.000 0.188 131 S C -0.377 174.231 174.600 0.014 0.000 0.797 131 S CA -0.129 58.074 58.200 0.005 0.000 0.888 131 S CB -0.806 62.366 63.200 -0.047 0.000 1.605 131 S HN 0.229 nan 8.310 nan 0.000 0.553 132 S N 1.531 117.273 115.700 0.070 0.000 2.810 132 S HA -0.054 4.416 4.470 0.000 0.000 0.329 132 S C 1.106 175.758 174.600 0.086 0.000 1.231 132 S CA 0.038 58.299 58.200 0.100 0.000 1.042 132 S CB -0.137 63.135 63.200 0.120 0.000 0.756 132 S HN 0.501 nan 8.310 nan 0.000 0.504 133 H N 2.921 122.020 119.070 0.049 0.000 2.437 133 H HA -0.139 4.417 4.556 0.000 0.000 0.296 133 H C 1.188 176.536 175.328 0.033 0.000 1.121 133 H CA 1.886 57.955 56.048 0.036 0.000 1.255 133 H CB -0.116 29.666 29.762 0.033 0.000 1.366 133 H HN 0.917 nan 8.280 nan 0.000 0.512 134 A N -1.209 121.710 122.820 0.166 0.000 5.534 134 A HA 0.560 4.880 4.320 0.000 0.000 0.112 134 A C -0.585 177.052 177.584 0.088 0.000 1.126 134 A CA 0.103 52.206 52.037 0.109 0.000 1.849 134 A CB -0.610 18.454 19.000 0.106 0.000 2.644 134 A HN 0.348 nan 8.150 nan 0.000 1.204 135 A N -0.458 122.404 122.820 0.070 0.000 2.346 135 A HA 0.651 4.971 4.320 0.000 0.000 0.255 135 A C 0.675 178.296 177.584 0.062 0.000 1.113 135 A CA 1.058 53.130 52.037 0.058 0.000 0.798 135 A CB -0.447 18.578 19.000 0.042 0.000 1.073 135 A HN 2.264 nan 8.150 nan 0.000 0.502 136 T N -2.377 112.208 114.554 0.053 0.000 2.804 136 T HA 0.627 4.977 4.350 0.000 0.000 0.290 136 T C 0.190 174.910 174.700 0.034 0.000 1.099 136 T CA -0.013 62.118 62.100 0.052 0.000 1.011 136 T CB 0.427 69.335 68.868 0.067 0.000 1.291 136 T HN 1.567 nan 8.240 nan 0.000 0.523 137 S N 1.097 116.815 115.700 0.029 0.000 2.560 137 S HA 0.094 4.564 4.470 0.000 0.000 0.276 137 S C 0.284 174.890 174.600 0.010 0.000 1.350 137 S CA -0.508 57.702 58.200 0.016 0.000 1.024 137 S CB -0.523 62.684 63.200 0.011 0.000 0.864 137 S HN 0.995 nan 8.310 nan 0.000 0.536 138 N N 0.127 118.829 118.700 0.003 0.000 2.492 138 N HA 0.072 4.812 4.740 0.000 0.000 0.262 138 N C -0.125 175.380 175.510 -0.008 0.000 1.202 138 N CA -0.419 52.630 53.050 -0.002 0.000 0.926 138 N CB 0.461 38.946 38.487 -0.004 0.000 1.078 138 N HN 0.478 nan 8.380 nan 0.000 0.454 139 V N 3.290 123.197 119.914 -0.011 0.000 2.670 139 V HA -0.022 4.098 4.120 0.000 0.000 0.344 139 V C 1.664 177.744 176.094 -0.022 0.000 1.648 139 V CA 0.427 62.715 62.300 -0.019 0.000 1.673 139 V CB -1.943 29.866 31.823 -0.022 0.000 1.382 139 V HN 0.797 nan 8.190 nan 0.000 0.503 140 S N 1.014 116.702 115.700 -0.021 0.000 2.459 140 S HA -0.131 4.339 4.470 0.000 0.000 0.204 140 S C 1.389 175.971 174.600 -0.031 0.000 1.102 140 S CA 1.506 59.693 58.200 -0.023 0.000 1.258 140 S CB 0.116 63.303 63.200 -0.021 0.000 1.033 140 S HN 0.680 nan 8.310 nan 0.000 0.398 141 E N -0.123 120.055 120.200 -0.036 0.000 3.968 141 E HA 0.146 4.496 4.350 0.000 0.000 0.219 141 E C -1.105 175.461 176.600 -0.057 0.000 1.310 141 E CA -0.014 56.358 56.400 -0.046 0.000 1.622 141 E CB 0.475 30.148 29.700 -0.046 0.000 1.730 141 E HN 0.384 nan 8.360 nan 0.000 0.629 142 D N 0.941 121.307 120.400 -0.058 0.000 2.464 142 D HA 0.254 4.894 4.640 0.000 0.000 0.243 142 D C -0.389 175.883 176.300 -0.047 0.000 1.104 142 D CA -0.167 53.791 54.000 -0.069 0.000 0.883 142 D CB 1.758 42.501 40.800 -0.095 0.000 1.050 142 D HN 0.022 nan 8.370 nan 0.000 0.524 143 V N 3.855 123.744 119.914 -0.043 0.000 3.176 143 V HA 0.237 4.357 4.120 0.000 0.000 0.332 143 V C 0.998 177.079 176.094 -0.023 0.000 1.414 143 V CA -0.381 61.902 62.300 -0.027 0.000 1.133 143 V CB -0.529 31.277 31.823 -0.028 0.000 1.088 143 V HN 0.310 nan 8.190 nan 0.000 0.473 144 R N 1.874 122.365 120.500 -0.015 0.000 2.522 144 R HA 0.237 4.577 4.340 0.000 0.000 0.284 144 R C -0.592 175.750 176.300 0.071 0.000 1.032 144 R CA 0.277 56.388 56.100 0.019 0.000 1.049 144 R CB 0.382 30.710 30.300 0.048 0.000 0.956 144 R HN 0.339 nan 8.270 nan 0.000 0.422 145 D N 0.805 121.220 120.400 0.025 0.000 2.392 145 D HA 0.105 4.745 4.640 0.000 0.000 0.246 145 D C -0.487 175.805 176.300 -0.014 0.000 1.013 145 D CA -0.601 53.399 54.000 -0.000 0.000 0.993 145 D CB 1.065 41.823 40.800 -0.069 0.000 1.219 145 D HN 0.331 nan 8.370 nan 0.000 0.538 146 N N 0.993 119.659 118.700 -0.056 0.000 2.414 146 N HA 0.285 5.025 4.740 0.000 0.000 0.256 146 N C -0.940 174.486 175.510 -0.139 0.000 1.029 146 N CA -0.221 52.770 53.050 -0.099 0.000 0.948 146 N CB 0.659 39.077 38.487 -0.115 0.000 1.102 146 N HN 0.258 nan 8.380 nan 0.000 0.496 147 V N 0.761 120.563 119.914 -0.186 0.000 3.130 147 V HA 0.870 4.990 4.120 0.000 0.000 0.310 147 V C -0.254 175.686 176.094 -0.257 0.000 1.158 147 V CA -0.830 61.309 62.300 -0.269 0.000 1.029 147 V CB 1.444 32.966 31.823 -0.501 0.000 1.057 147 V HN 0.698 nan 8.190 nan 0.000 0.436 148 S N 1.044 116.616 115.700 -0.213 0.000 2.697 148 S HA 0.963 5.433 4.470 0.000 0.000 0.289 148 S C -0.929 173.573 174.600 -0.163 0.000 1.149 148 S CA -0.315 57.770 58.200 -0.193 0.000 0.850 148 S CB 1.732 64.844 63.200 -0.147 0.000 1.151 148 S HN 2.411 nan 8.310 nan 0.000 0.491 149 V N 1.355 121.149 119.914 -0.199 0.000 2.971 149 V HA 0.383 4.503 4.120 0.000 0.000 0.281 149 V C -2.153 173.754 176.094 -0.313 0.000 1.470 149 V CA -0.657 61.537 62.300 -0.178 0.000 0.966 149 V CB 2.025 33.799 31.823 -0.082 0.000 1.156 149 V HN 1.233 nan 8.190 nan 0.000 0.441 150 D N 5.402 125.679 120.400 -0.205 0.000 2.308 150 D HA 0.263 4.903 4.640 0.000 0.000 0.251 150 D C -0.081 176.123 176.300 -0.161 0.000 1.127 150 D CA 0.080 53.968 54.000 -0.185 0.000 0.876 150 D CB 0.720 41.498 40.800 -0.036 0.000 1.176 150 D HN 0.555 nan 8.370 nan 0.000 0.446 151 Y N 0.307 120.544 120.300 -0.106 0.000 2.188 151 Y HA 0.041 4.591 4.550 0.000 0.000 0.360 151 Y C 1.667 177.568 175.900 0.001 0.000 1.324 151 Y CA -0.832 57.175 58.100 -0.155 0.000 1.726 151 Y CB 0.602 38.722 38.460 -0.568 0.000 1.536 151 Y HN 0.295 nan 8.280 nan 0.000 0.628 152 K N 1.398 121.937 120.400 0.232 0.000 2.319 152 K HA -0.001 4.319 4.320 0.000 0.000 0.265 152 K C -0.664 176.093 176.600 0.263 0.000 1.000 152 K CA -0.417 55.972 56.287 0.170 0.000 0.943 152 K CB 0.574 33.143 32.500 0.114 0.000 0.950 152 K HN 0.664 nan 8.250 nan 0.000 0.485 153 Q N 2.641 122.562 119.800 0.202 0.000 2.340 153 Q HA 0.208 4.548 4.340 0.000 0.000 0.259 153 Q C -1.391 174.708 176.000 0.165 0.000 0.964 153 Q CA -0.426 55.497 55.803 0.200 0.000 0.900 153 Q CB 1.356 30.187 28.738 0.155 0.000 1.228 153 Q HN 0.687 nan 8.270 nan 0.000 0.449 154 T N 3.480 118.135 114.554 0.168 0.000 2.916 154 T HA 0.509 4.859 4.350 0.000 0.000 0.292 154 T C -1.072 173.705 174.700 0.128 0.000 1.055 154 T CA -0.747 61.441 62.100 0.146 0.000 1.009 154 T CB 1.784 70.750 68.868 0.162 0.000 1.118 154 T HN 0.578 nan 8.240 nan 0.000 0.497 155 Q N 1.463 121.334 119.800 0.118 0.000 2.331 155 Q HA 0.567 4.907 4.340 0.000 0.000 0.249 155 Q C -1.706 174.360 176.000 0.110 0.000 0.913 155 Q CA -0.756 55.124 55.803 0.129 0.000 0.874 155 Q CB 2.301 31.046 28.738 0.012 0.000 1.384 155 Q HN 0.658 nan 8.270 nan 0.000 0.427 156 L N -0.757 120.589 121.223 0.206 0.000 2.465 156 L HA 0.972 5.312 4.340 0.000 0.000 0.257 156 L C -1.561 175.479 176.870 0.284 0.000 0.988 156 L CA -0.719 54.230 54.840 0.182 0.000 0.827 156 L CB 2.380 44.555 42.059 0.193 0.000 1.397 156 L HN 0.684 nan 8.230 nan 0.000 0.410 157 C N 4.407 123.838 119.300 0.219 0.000 2.599 157 C HA 0.832 5.292 4.460 0.000 0.000 0.354 157 C C -1.211 173.907 174.990 0.215 0.000 1.092 157 C CA -0.330 58.862 59.018 0.291 0.000 1.280 157 C CB 0.496 28.485 27.740 0.414 0.000 1.829 157 C HN 0.763 nan 8.230 nan 0.000 0.454 158 I N 6.473 127.172 120.570 0.214 0.000 2.465 158 I HA 0.521 4.691 4.170 0.000 0.000 0.291 158 I C -0.417 175.805 176.117 0.174 0.000 1.014 158 I CA -0.618 60.778 61.300 0.160 0.000 1.093 158 I CB 1.511 39.550 38.000 0.066 0.000 1.267 158 I HN 0.599 nan 8.210 nan 0.000 0.431 159 L N 4.635 125.964 121.223 0.177 0.000 2.346 159 L HA 0.944 5.284 4.340 0.000 0.000 0.274 159 L C 0.259 176.870 176.870 -0.432 0.000 1.007 159 L CA -0.321 54.569 54.840 0.084 0.000 0.818 159 L CB 2.337 44.594 42.059 0.330 0.000 1.284 159 L HN 0.851 nan 8.230 nan 0.000 0.424 160 G N -0.143 108.344 108.800 -0.521 0.000 2.441 160 G HA2 0.313 4.273 3.960 0.000 0.000 0.294 160 G HA3 0.313 4.273 3.960 0.000 0.000 0.294 160 G C -0.739 174.037 174.900 -0.206 0.000 1.393 160 G CA -0.242 44.301 45.100 -0.927 0.000 0.796 160 G HN 0.717 nan 8.290 nan 0.000 0.494 161 C N -0.891 118.398 119.300 -0.018 0.000 2.470 161 C HA 0.832 5.292 4.460 0.000 0.000 0.311 161 C C 0.694 175.762 174.990 0.130 0.000 1.387 161 C CA -0.330 58.849 59.018 0.268 0.000 1.783 161 C CB -1.540 26.432 27.740 0.385 0.000 2.416 161 C HN 1.828 nan 8.230 nan 0.000 0.558 162 A N 1.177 123.831 122.820 -0.277 0.000 2.565 162 A HA 0.785 5.105 4.320 0.000 0.000 0.298 162 A C -2.983 173.904 177.584 -1.161 0.000 1.062 162 A CA -0.776 50.812 52.037 -0.749 0.000 0.723 162 A CB 0.779 19.623 19.000 -0.260 0.000 1.282 162 A HN 0.173 nan 8.150 nan 0.000 0.400 163 P HA 0.244 nan 4.420 nan 0.000 0.267 163 P C 0.231 177.219 177.300 -0.519 0.000 1.195 163 P CA 0.611 63.062 63.100 -1.082 0.000 0.773 163 P CB 0.578 31.793 31.700 -0.808 0.000 0.837 164 A N 2.706 125.331 122.820 -0.325 0.000 2.286 164 A HA 0.532 4.852 4.320 0.000 0.000 0.286 164 A C 0.229 177.673 177.584 -0.234 0.000 1.097 164 A CA -0.608 51.280 52.037 -0.247 0.000 0.821 164 A CB -0.115 18.762 19.000 -0.204 0.000 1.076 164 A HN 0.458 nan 8.150 nan 0.000 0.490 165 I N 0.542 120.982 120.570 -0.217 0.000 2.437 165 I HA 0.568 4.738 4.170 0.000 0.000 0.298 165 I C 0.836 176.815 176.117 -0.230 0.000 0.984 165 I CA 0.181 61.366 61.300 -0.192 0.000 1.214 165 I CB 2.007 39.920 38.000 -0.144 0.000 1.365 165 I HN 0.687 nan 8.210 nan 0.000 0.469 166 G N 3.641 112.321 108.800 -0.201 0.000 2.537 166 G HA2 0.754 4.714 3.960 0.000 0.000 0.308 166 G HA3 0.754 4.714 3.960 0.000 0.000 0.308 166 G C -1.447 173.399 174.900 -0.090 0.000 1.237 166 G CA -0.476 44.510 45.100 -0.190 0.000 0.968 166 G HN 0.660 nan 8.290 nan 0.000 0.481 167 E N -0.666 119.512 120.200 -0.036 0.000 2.336 167 E HA 0.714 5.064 4.350 0.000 0.000 0.267 167 E C -1.278 175.350 176.600 0.047 0.000 0.906 167 E CA -0.996 55.376 56.400 -0.045 0.000 0.781 167 E CB 2.503 32.126 29.700 -0.128 0.000 1.261 167 E HN 0.766 nan 8.360 nan 0.000 0.436 168 H N -0.477 118.435 119.070 -0.263 0.000 2.987 168 H HA 0.230 4.786 4.556 0.000 0.000 0.316 168 H C -2.022 173.065 175.328 -0.401 0.000 1.380 168 H CA -1.160 54.747 56.048 -0.235 0.000 1.160 168 H CB 0.026 29.749 29.762 -0.065 0.000 1.865 168 H HN 0.657 nan 8.280 nan 0.000 0.521 169 W N 1.181 122.416 121.300 -0.109 0.000 2.365 169 W HA 0.712 5.372 4.660 0.000 0.000 0.316 169 W C -0.011 176.401 176.519 -0.178 0.000 1.164 169 W CA 0.005 57.240 57.345 -0.183 0.000 1.204 169 W CB 1.770 31.172 29.460 -0.096 0.000 1.213 169 W HN 0.859 nan 8.180 nan 0.000 0.539 170 A N 2.565 125.400 122.820 0.025 0.000 2.569 170 A HA 0.585 4.905 4.320 0.000 0.000 0.290 170 A C -1.067 176.551 177.584 0.057 0.000 1.136 170 A CA -1.191 50.863 52.037 0.028 0.000 0.710 170 A CB 1.384 20.362 19.000 -0.037 0.000 1.303 170 A HN 0.561 nan 8.150 nan 0.000 0.413 171 K N 0.770 121.197 120.400 0.044 0.000 2.447 171 K HA 0.317 4.637 4.320 0.000 0.000 0.281 171 K C 0.592 177.209 176.600 0.029 0.000 1.031 171 K CA 0.525 56.833 56.287 0.035 0.000 1.019 171 K CB 0.191 32.707 32.500 0.027 0.000 0.918 171 K HN 0.872 nan 8.250 nan 0.000 0.476 172 G N 2.539 111.358 108.800 0.032 0.000 2.569 172 G HA2 0.049 4.009 3.960 0.000 0.000 0.249 172 G HA3 0.049 4.009 3.960 0.000 0.000 0.249 172 G C -0.595 174.314 174.900 0.016 0.000 1.216 172 G CA -0.614 44.502 45.100 0.026 0.000 0.845 172 G HN 0.659 nan 8.290 nan 0.000 0.568 173 T N 1.329 115.890 114.554 0.011 0.000 2.793 173 T HA 0.353 4.703 4.350 0.000 0.000 0.289 173 T C 0.902 175.606 174.700 0.007 0.000 0.956 173 T CA 0.338 62.442 62.100 0.007 0.000 1.177 173 T CB 0.563 69.433 68.868 0.004 0.000 0.897 173 T HN 0.820 nan 8.240 nan 0.000 0.533 174 A N 4.656 127.480 122.820 0.006 0.000 2.526 174 A HA 0.370 4.690 4.320 0.000 0.000 0.267 174 A C 1.047 178.633 177.584 0.003 0.000 1.095 174 A CA -0.595 51.445 52.037 0.004 0.000 0.775 174 A CB -0.292 18.710 19.000 0.004 0.000 1.036 174 A HN 0.914 nan 8.150 nan 0.000 0.510 175 S N 3.292 118.994 115.700 0.003 0.000 2.549 175 S HA 0.180 4.650 4.470 0.000 0.000 0.279 175 S C 1.205 175.806 174.600 0.001 0.000 1.321 175 S CA -0.180 58.022 58.200 0.002 0.000 1.054 175 S CB 0.990 64.192 63.200 0.003 0.000 0.899 175 S HN 0.751 nan 8.310 nan 0.000 0.497 176 K N 2.774 123.174 120.400 0.001 0.000 2.209 176 K HA -0.112 4.208 4.320 0.000 0.000 0.204 176 K C 1.792 178.392 176.600 -0.000 0.000 1.048 176 K CA 1.577 57.864 56.287 0.000 0.000 0.940 176 K CB -1.390 31.110 32.500 -0.000 0.000 0.729 176 K HN 0.736 nan 8.250 nan 0.000 0.451 177 S N 1.166 116.866 115.700 0.000 0.000 2.396 177 S HA -0.113 4.357 4.470 0.000 0.000 0.204 177 S C 1.258 175.858 174.600 -0.000 0.000 1.060 177 S CA 0.233 58.433 58.200 0.000 0.000 1.098 177 S CB -0.283 62.917 63.200 0.001 0.000 1.022 177 S HN 0.296 nan 8.310 nan 0.000 0.413 178 R N 2.605 123.105 120.500 0.000 0.000 2.396 178 R HA 0.419 4.759 4.340 0.000 0.000 0.292 178 R C -2.514 173.785 176.300 -0.001 0.000 1.240 178 R CA -2.011 54.089 56.100 -0.001 0.000 1.270 178 R CB 0.803 31.103 30.300 -0.001 0.000 1.108 178 R HN 0.468 nan 8.270 nan 0.000 0.573 179 P HA 0.028 nan 4.420 nan 0.000 0.291 179 P C -0.750 176.549 177.300 -0.002 0.000 1.287 179 P CA -0.469 62.630 63.100 -0.001 0.000 0.767 179 P CB 0.704 32.403 31.700 -0.001 0.000 1.290 180 L N -0.104 121.118 121.223 -0.002 0.000 2.372 180 L HA 0.249 4.589 4.340 0.000 0.000 0.273 180 L C 0.200 177.068 176.870 -0.004 0.000 0.989 180 L CA -0.085 54.753 54.840 -0.003 0.000 0.841 180 L CB 0.837 42.895 42.059 -0.002 0.000 1.225 180 L HN 0.376 nan 8.230 nan 0.000 0.414 181 S N 2.009 117.706 115.700 -0.005 0.000 2.645 181 S HA 0.503 4.973 4.470 0.000 0.000 0.266 181 S C -0.056 174.541 174.600 -0.006 0.000 1.258 181 S CA -0.716 57.481 58.200 -0.005 0.000 0.990 181 S CB 0.867 64.064 63.200 -0.006 0.000 0.967 181 S HN 0.506 nan 8.310 nan 0.000 0.556 182 Q N 0.265 120.061 119.800 -0.007 0.000 2.271 182 Q HA 0.447 4.787 4.340 0.000 0.000 0.273 182 Q C 1.114 177.109 176.000 -0.009 0.000 1.051 182 Q CA 1.419 57.218 55.803 -0.007 0.000 0.901 182 Q CB -0.066 28.667 28.738 -0.008 0.000 1.174 182 Q HN 1.180 nan 8.270 nan 0.000 0.385 183 G N 3.494 112.288 108.800 -0.010 0.000 2.284 183 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 183 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 183 G C -0.073 174.819 174.900 -0.013 0.000 1.009 183 G CA -0.062 45.030 45.100 -0.013 0.000 0.625 183 G HN 0.627 nan 8.290 nan 0.000 0.501 184 D N 0.267 120.661 120.400 -0.011 0.000 2.357 184 D HA 0.461 5.101 4.640 0.000 0.000 0.242 184 D C 0.961 177.253 176.300 -0.013 0.000 1.153 184 D CA 0.436 54.429 54.000 -0.012 0.000 0.918 184 D CB 1.039 41.834 40.800 -0.010 0.000 1.181 184 D HN 0.561 nan 8.370 nan 0.000 0.435 185 C N 3.833 123.123 119.300 -0.016 0.000 2.585 185 C HA 0.451 4.911 4.460 0.000 0.000 0.406 185 C C -1.946 173.034 174.990 -0.016 0.000 1.312 185 C CA -1.260 57.747 59.018 -0.019 0.000 1.924 185 C CB -0.430 27.294 27.740 -0.026 0.000 2.578 185 C HN 0.461 nan 8.230 nan 0.000 0.580 186 P HA 0.447 nan 4.420 nan 0.000 0.278 186 P C -2.831 174.463 177.300 -0.010 0.000 1.266 186 P CA -1.178 61.918 63.100 -0.007 0.000 0.807 186 P CB 0.324 32.023 31.700 -0.001 0.000 1.094 187 P HA 0.250 nan 4.420 nan 0.000 0.284 187 P C -0.689 176.628 177.300 0.027 0.000 1.253 187 P CA -0.240 62.863 63.100 0.006 0.000 0.800 187 P CB 0.697 32.406 31.700 0.015 0.000 0.961 188 L N 2.238 123.478 121.223 0.029 0.000 2.289 188 L HA 0.442 4.782 4.340 0.000 0.000 0.285 188 L C 0.742 177.779 176.870 0.279 0.000 1.049 188 L CA -0.027 54.885 54.840 0.120 0.000 0.804 188 L CB 0.471 42.495 42.059 -0.060 0.000 1.195 188 L HN 0.568 nan 8.230 nan 0.000 0.428 189 E N 2.763 123.146 120.200 0.305 0.000 2.224 189 E HA 0.322 4.672 4.350 0.000 0.000 0.265 189 E C -1.334 175.256 176.600 -0.016 0.000 0.878 189 E CA -0.922 55.589 56.400 0.186 0.000 0.759 189 E CB 2.296 32.022 29.700 0.044 0.000 1.164 189 E HN 0.395 nan 8.360 nan 0.000 0.414 190 L N 4.240 125.272 121.223 -0.318 0.000 2.410 190 L HA 0.274 4.614 4.340 0.000 0.000 0.273 190 L C -0.762 175.808 176.870 -0.500 0.000 1.152 190 L CA 0.686 54.989 54.840 -0.895 0.000 0.855 190 L CB 0.356 41.861 42.059 -0.924 0.000 1.129 190 L HN 0.478 nan 8.230 nan 0.000 0.463 191 K N 4.157 124.216 120.400 -0.569 0.000 2.426 191 K HA 0.395 4.715 4.320 0.000 0.000 0.254 191 K C -0.935 175.530 176.600 -0.226 0.000 0.936 191 K CA -0.847 55.221 56.287 -0.365 0.000 0.801 191 K CB 1.239 33.502 32.500 -0.396 0.000 1.139 191 K HN 0.598 nan 8.250 nan 0.000 0.424 192 N N 1.168 119.787 118.700 -0.136 0.000 2.515 192 N HA 0.295 5.035 4.740 0.000 0.000 0.279 192 N C -0.362 175.127 175.510 -0.036 0.000 1.164 192 N CA 0.221 53.221 53.050 -0.084 0.000 0.982 192 N CB 1.807 40.245 38.487 -0.082 0.000 1.170 192 N HN 0.567 nan 8.380 nan 0.000 0.474 193 T N -0.987 113.545 114.554 -0.037 0.000 2.775 193 T HA 0.238 4.588 4.350 0.000 0.000 0.320 193 T C -1.317 173.337 174.700 -0.077 0.000 1.597 193 T CA -0.608 61.471 62.100 -0.034 0.000 1.022 193 T CB 0.508 69.377 68.868 0.002 0.000 1.485 193 T HN 0.022 nan 8.240 nan 0.000 0.494 194 V N 3.672 123.543 119.914 -0.073 0.000 2.686 194 V HA 0.375 4.495 4.120 0.000 0.000 0.295 194 V C 0.479 176.497 176.094 -0.127 0.000 1.055 194 V CA -0.453 61.790 62.300 -0.094 0.000 1.050 194 V CB 1.064 32.859 31.823 -0.046 0.000 0.984 194 V HN 0.705 nan 8.190 nan 0.000 0.482 195 L N 5.616 126.736 121.223 -0.171 0.000 2.334 195 L HA 0.300 4.640 4.340 0.000 0.000 0.286 195 L C 0.571 177.395 176.870 -0.078 0.000 1.108 195 L CA 0.003 54.691 54.840 -0.253 0.000 0.875 195 L CB -0.022 41.768 42.059 -0.449 0.000 1.246 195 L HN 0.733 nan 8.230 nan 0.000 0.439 196 E N 1.302 121.459 120.200 -0.071 0.000 2.312 196 E HA 0.148 4.498 4.350 0.000 0.000 0.259 196 E C -0.719 175.903 176.600 0.037 0.000 1.122 196 E CA -0.850 55.538 56.400 -0.021 0.000 0.922 196 E CB 0.969 30.559 29.700 -0.183 0.000 1.109 196 E HN 0.365 nan 8.360 nan 0.000 0.442 197 D N -0.864 119.586 120.400 0.083 0.000 2.425 197 D HA 0.257 4.897 4.640 0.000 0.000 0.247 197 D C 0.752 177.078 176.300 0.044 0.000 1.147 197 D CA 1.494 55.542 54.000 0.080 0.000 0.879 197 D CB 0.417 41.275 40.800 0.097 0.000 1.179 197 D HN 0.558 nan 8.370 nan 0.000 0.456 198 G N 3.315 112.165 108.800 0.083 0.000 2.259 198 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 198 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 198 G C 0.057 175.027 174.900 0.116 0.000 1.001 198 G CA -0.048 45.099 45.100 0.080 0.000 0.627 198 G HN 0.621 nan 8.290 nan 0.000 0.501 199 D N 1.786 122.266 120.400 0.133 0.000 2.400 199 D HA 0.417 5.057 4.640 0.000 0.000 0.238 199 D C 1.164 177.645 176.300 0.302 0.000 1.157 199 D CA 0.341 54.437 54.000 0.159 0.000 0.889 199 D CB 0.454 41.293 40.800 0.064 0.000 1.199 199 D HN 0.114 nan 8.370 nan 0.000 0.436 200 M N 1.088 120.839 119.600 0.252 0.000 2.342 200 M HA 0.234 4.714 4.480 0.000 0.000 0.332 200 M C 0.287 176.770 176.300 0.304 0.000 1.166 200 M CA -0.903 54.539 55.300 0.238 0.000 1.086 200 M CB 1.178 33.882 32.600 0.173 0.000 1.541 200 M HN 0.165 nan 8.290 nan 0.000 0.462 201 V N -0.964 119.042 119.914 0.153 0.000 3.234 201 V HA 0.498 4.618 4.120 0.000 0.000 0.317 201 V C -0.262 175.932 176.094 0.167 0.000 1.081 201 V CA -1.052 61.317 62.300 0.115 0.000 1.037 201 V CB 1.178 32.907 31.823 -0.156 0.000 1.148 201 V HN 0.852 nan 8.190 nan 0.000 0.453 202 D N 0.961 121.496 120.400 0.225 0.000 2.417 202 D HA 0.245 4.885 4.640 0.000 0.000 0.250 202 D C 1.096 177.443 176.300 0.079 0.000 1.166 202 D CA 0.688 54.796 54.000 0.180 0.000 0.881 202 D CB 1.258 42.151 40.800 0.156 0.000 1.164 202 D HN 0.954 nan 8.370 nan 0.000 0.467 203 T N 0.656 115.196 114.554 -0.023 0.000 3.054 203 T HA 0.390 4.740 4.350 0.000 0.000 0.255 203 T C 1.352 176.033 174.700 -0.030 0.000 1.035 203 T CA 0.077 62.047 62.100 -0.218 0.000 0.941 203 T CB 0.326 68.615 68.868 -0.965 0.000 1.026 203 T HN 0.689 nan 8.240 nan 0.000 0.533 204 G N 0.589 109.406 108.800 0.029 0.000 2.192 204 G HA2 -0.205 3.755 3.960 0.000 0.000 0.193 204 G HA3 -0.205 3.755 3.960 0.000 0.000 0.193 204 G C 0.157 174.990 174.900 -0.112 0.000 0.999 204 G CA -0.164 44.910 45.100 -0.043 0.000 0.659 204 G HN 0.524 nan 8.290 nan 0.000 0.503 205 Y N 1.152 121.524 120.300 0.120 0.000 2.555 205 Y HA 0.463 5.013 4.550 0.000 0.000 0.259 205 Y C 1.576 177.656 175.900 0.300 0.000 1.179 205 Y CA 0.788 59.010 58.100 0.203 0.000 1.230 205 Y CB 0.997 39.560 38.460 0.172 0.000 1.146 205 Y HN 1.065 nan 8.280 nan 0.000 0.526 206 G N 0.813 109.805 108.800 0.320 0.000 2.707 206 G HA2 0.088 4.048 3.960 0.000 0.000 0.686 206 G HA3 0.088 4.048 3.960 0.000 0.000 0.686 206 G C -0.790 174.302 174.900 0.320 0.000 1.315 206 G CA -0.659 44.598 45.100 0.262 0.000 0.832 206 G HN 0.520 nan 8.290 nan 0.000 0.573 207 A N 0.939 123.917 122.820 0.263 0.000 2.412 207 A HA 0.856 5.176 4.320 0.000 0.000 0.334 207 A C 0.409 178.136 177.584 0.237 0.000 1.419 207 A CA 0.828 53.027 52.037 0.270 0.000 0.930 207 A CB -0.366 18.798 19.000 0.274 0.000 1.149 207 A HN 2.035 nan 8.150 nan 0.000 0.515 208 M N -0.077 119.532 119.600 0.015 0.000 2.924 208 M HA 0.538 5.018 4.480 0.000 0.000 0.271 208 M C -1.508 174.638 176.300 -0.257 0.000 1.280 208 M CA -0.851 54.402 55.300 -0.079 0.000 0.813 208 M CB 1.388 33.853 32.600 -0.225 0.000 1.658 208 M HN 0.203 nan 8.290 nan 0.000 0.467 209 D N 0.791 121.148 120.400 -0.072 0.000 2.522 209 D HA 0.343 4.983 4.640 0.000 0.000 0.218 209 D C 0.031 176.272 176.300 -0.098 0.000 1.149 209 D CA -0.230 53.760 54.000 -0.016 0.000 0.981 209 D CB -0.268 40.611 40.800 0.131 0.000 1.041 209 D HN 0.544 nan 8.370 nan 0.000 0.518 210 F N 0.993 121.000 119.950 0.095 0.000 2.307 210 F HA -0.202 4.325 4.527 0.000 0.000 0.301 210 F C 2.686 178.514 175.800 0.048 0.000 1.076 210 F CA 1.048 59.085 58.000 0.062 0.000 1.383 210 F CB -0.391 38.633 39.000 0.040 0.000 1.055 210 F HN 0.344 nan 8.300 nan 0.000 0.526 211 S N -1.127 114.690 115.700 0.194 0.000 2.453 211 S HA -0.123 4.347 4.470 0.000 0.000 0.231 211 S C 1.741 176.392 174.600 0.084 0.000 1.005 211 S CA 1.242 59.518 58.200 0.127 0.000 0.949 211 S CB -0.898 62.365 63.200 0.105 0.000 0.774 211 S HN 0.477 nan 8.310 nan 0.000 0.510 212 T N -2.421 112.175 114.554 0.070 0.000 2.975 212 T HA 0.400 4.750 4.350 0.000 0.000 0.257 212 T C 1.132 175.853 174.700 0.035 0.000 1.003 212 T CA -0.228 61.901 62.100 0.048 0.000 0.932 212 T CB -0.041 68.855 68.868 0.047 0.000 1.087 212 T HN 0.220 nan 8.240 nan 0.000 0.512 213 L N 0.603 121.844 121.223 0.030 0.000 2.556 213 L HA 0.480 4.820 4.340 0.000 0.000 0.226 213 L C 0.445 177.333 176.870 0.030 0.000 1.089 213 L CA 0.664 55.512 54.840 0.013 0.000 0.864 213 L CB 0.092 42.136 42.059 -0.024 0.000 1.067 213 L HN 0.321 nan 8.230 nan 0.000 0.477 214 Q N -0.571 119.266 119.800 0.063 0.000 2.347 214 Q HA 0.184 4.524 4.340 0.000 0.000 0.265 214 Q C -0.290 175.737 176.000 0.045 0.000 1.024 214 Q CA -0.287 55.554 55.803 0.063 0.000 0.731 214 Q CB 1.503 30.311 28.738 0.118 0.000 1.245 214 Q HN 0.002 nan 8.270 nan 0.000 0.472 215 D N 0.383 120.793 120.400 0.018 0.000 2.277 215 D HA -0.094 4.546 4.640 0.000 0.000 0.208 215 D C 1.272 177.569 176.300 -0.004 0.000 0.962 215 D CA 1.099 55.104 54.000 0.008 0.000 0.865 215 D CB 0.391 41.189 40.800 -0.003 0.000 0.939 215 D HN 0.432 nan 8.370 nan 0.000 0.510 216 T N 0.450 114.992 114.554 -0.019 0.000 2.777 216 T HA -0.123 4.227 4.350 0.000 0.000 0.266 216 T C 0.855 175.535 174.700 -0.035 0.000 1.040 216 T CA 0.843 62.915 62.100 -0.047 0.000 1.141 216 T CB -0.115 68.701 68.868 -0.086 0.000 0.868 216 T HN 0.164 nan 8.240 nan 0.000 0.444 217 K N -0.905 119.489 120.400 -0.010 0.000 3.129 217 K HA -0.153 4.167 4.320 0.000 0.000 0.273 217 K C -0.266 176.326 176.600 -0.013 0.000 1.123 217 K CA 0.404 56.710 56.287 0.031 0.000 0.800 217 K CB -2.223 30.316 32.500 0.065 0.000 1.238 217 K HN 0.454 nan 8.250 nan 0.000 0.492 218 C N -0.545 118.657 119.300 -0.165 0.000 3.725 218 C HA 0.122 4.582 4.460 0.000 0.000 0.294 218 C C 1.275 175.976 174.990 -0.482 0.000 2.443 218 C CA -0.718 58.042 59.018 -0.429 0.000 1.613 218 C CB 0.177 27.692 27.740 -0.375 0.000 3.378 218 C HN 0.352 nan 8.230 nan 0.000 0.406 219 E N 1.372 121.368 120.200 -0.340 0.000 2.400 219 E HA 0.134 4.484 4.350 0.000 0.000 0.195 219 E C 0.751 177.079 176.600 -0.453 0.000 1.012 219 E CA 0.864 57.026 56.400 -0.396 0.000 0.875 219 E CB 0.619 30.229 29.700 -0.150 0.000 0.859 219 E HN 0.638 nan 8.360 nan 0.000 0.498 220 V N -2.298 117.394 119.914 -0.371 0.000 3.130 220 V HA 0.559 4.680 4.120 0.000 0.000 0.310 220 V C -2.888 173.137 176.094 -0.116 0.000 1.158 220 V CA -3.075 58.950 62.300 -0.457 0.000 1.029 220 V CB 1.670 32.964 31.823 -0.883 0.000 1.057 220 V HN -0.281 nan 8.190 nan 0.000 0.436 221 P HA 0.068 nan 4.420 nan 0.000 0.270 221 P C 0.715 178.039 177.300 0.039 0.000 1.216 221 P CA 0.007 63.139 63.100 0.054 0.000 0.788 221 P CB 0.354 32.103 31.700 0.081 0.000 0.883 222 L N 2.129 123.322 121.223 -0.051 0.000 2.079 222 L HA -0.208 4.133 4.340 0.000 0.000 0.210 222 L C 1.595 178.504 176.870 0.065 0.000 1.081 222 L CA 2.204 56.992 54.840 -0.086 0.000 0.752 222 L CB -1.409 40.512 42.059 -0.231 0.000 0.896 222 L HN 0.468 nan 8.230 nan 0.000 0.433 223 D N -1.164 119.310 120.400 0.124 0.000 2.347 223 D HA -0.138 4.502 4.640 0.000 0.000 0.215 223 D C 1.575 177.954 176.300 0.133 0.000 0.976 223 D CA 1.088 55.218 54.000 0.216 0.000 0.884 223 D CB -0.255 40.752 40.800 0.345 0.000 0.915 223 D HN 0.537 nan 8.370 nan 0.000 0.526 224 I N -3.176 117.411 120.570 0.029 0.000 4.147 224 I HA 0.301 4.472 4.170 0.000 0.000 0.329 224 I C 1.345 177.399 176.117 -0.105 0.000 1.424 224 I CA -0.628 60.641 61.300 -0.052 0.000 1.127 224 I CB -0.370 37.493 38.000 -0.228 0.000 1.128 224 I HN 0.060 nan 8.210 nan 0.000 0.417 225 C N 2.023 121.298 119.300 -0.042 0.000 2.393 225 C HA -0.153 4.308 4.460 0.000 0.000 0.276 225 C C 2.254 177.295 174.990 0.085 0.000 1.215 225 C CA 1.575 60.592 59.018 -0.002 0.000 1.743 225 C CB -0.608 27.172 27.740 0.067 0.000 2.044 225 C HN 0.650 nan 8.230 nan 0.000 0.464 226 Q N 0.500 120.363 119.800 0.104 0.000 2.175 226 Q HA 0.302 4.642 4.340 0.000 0.000 0.225 226 Q C 0.449 176.527 176.000 0.131 0.000 0.837 226 Q CA 0.046 55.921 55.803 0.119 0.000 1.032 226 Q CB 0.874 29.663 28.738 0.086 0.000 1.137 226 Q HN 0.665 nan 8.270 nan 0.000 0.483 227 S N -0.136 115.661 115.700 0.161 0.000 2.677 227 S HA 0.659 5.129 4.470 0.000 0.000 0.290 227 S C 0.151 174.872 174.600 0.202 0.000 1.124 227 S CA -0.530 57.763 58.200 0.154 0.000 1.017 227 S CB 1.089 64.374 63.200 0.142 0.000 1.215 227 S HN 0.148 nan 8.310 nan 0.000 0.524 228 I N 0.591 121.245 120.570 0.140 0.000 2.512 228 I HA 0.320 4.490 4.170 0.000 0.000 0.287 228 I C -1.288 174.888 176.117 0.100 0.000 1.069 228 I CA -0.309 61.034 61.300 0.072 0.000 1.056 228 I CB 1.522 39.440 38.000 -0.135 0.000 1.229 228 I HN 0.502 nan 8.210 nan 0.000 0.429 229 C N 5.746 125.167 119.300 0.202 0.000 2.273 229 C HA 0.505 4.965 4.460 0.000 0.000 0.328 229 C C 0.305 175.415 174.990 0.200 0.000 1.275 229 C CA -0.895 58.273 59.018 0.249 0.000 1.704 229 C CB -0.186 27.779 27.740 0.376 0.000 2.326 229 C HN 0.666 nan 8.230 nan 0.000 0.517 230 K N 1.720 122.255 120.400 0.224 0.000 2.221 230 K HA 0.592 4.912 4.320 0.000 0.000 0.243 230 K C -1.316 175.512 176.600 0.380 0.000 0.968 230 K CA -0.598 55.807 56.287 0.196 0.000 0.846 230 K CB 1.817 34.312 32.500 -0.008 0.000 1.141 230 K HN 0.626 nan 8.250 nan 0.000 0.434 231 Y N 1.418 121.800 120.300 0.137 0.000 2.373 231 Y HA 0.301 4.851 4.550 0.000 0.000 0.336 231 Y C -2.677 173.224 175.900 0.002 0.000 0.979 231 Y CA -2.553 55.642 58.100 0.159 0.000 1.080 231 Y CB 1.616 40.169 38.460 0.156 0.000 1.190 231 Y HN 0.417 nan 8.280 nan 0.000 0.446 232 P HA -0.095 nan 4.420 nan 0.000 0.264 232 P C -0.635 176.238 177.300 -0.710 0.000 1.173 232 P CA 0.676 63.308 63.100 -0.779 0.000 0.761 232 P CB 0.522 31.440 31.700 -1.303 0.000 0.794 233 D N 2.424 122.553 120.400 -0.451 0.000 2.638 233 D HA 0.067 4.707 4.640 0.000 0.000 0.245 233 D C 0.583 176.776 176.300 -0.178 0.000 1.176 233 D CA -0.301 53.569 54.000 -0.216 0.000 0.996 233 D CB -0.368 40.353 40.800 -0.132 0.000 1.012 233 D HN 0.294 nan 8.370 nan 0.000 0.515 234 Y N 0.570 120.824 120.300 -0.077 0.000 2.241 234 Y HA -0.214 4.337 4.550 0.000 0.000 0.286 234 Y C 2.287 178.174 175.900 -0.022 0.000 1.166 234 Y CA 0.775 58.842 58.100 -0.055 0.000 1.203 234 Y CB -0.087 38.344 38.460 -0.049 0.000 0.977 234 Y HN 0.287 nan 8.280 nan 0.000 0.529 235 L N -0.239 121.075 121.223 0.153 0.000 1.994 235 L HA -0.291 4.049 4.340 0.000 0.000 0.208 235 L C 2.696 179.594 176.870 0.047 0.000 1.071 235 L CA 2.033 56.928 54.840 0.092 0.000 0.745 235 L CB -0.654 41.456 42.059 0.084 0.000 0.892 235 L HN 0.263 nan 8.230 nan 0.000 0.431 236 Q N -0.024 119.787 119.800 0.018 0.000 2.124 236 Q HA -0.218 4.122 4.340 0.000 0.000 0.202 236 Q C 2.222 178.220 176.000 -0.003 0.000 0.977 236 Q CA 1.660 57.461 55.803 -0.003 0.000 0.850 236 Q CB -0.090 28.631 28.738 -0.028 0.000 0.901 236 Q HN 0.433 nan 8.270 nan 0.000 0.429 237 M N -0.224 119.369 119.600 -0.012 0.000 2.296 237 M HA -0.081 4.399 4.480 0.000 0.000 0.265 237 M C 1.909 178.223 176.300 0.023 0.000 1.064 237 M CA 1.144 56.438 55.300 -0.010 0.000 1.109 237 M CB 0.186 32.761 32.600 -0.043 0.000 1.396 237 M HN 0.178 nan 8.290 nan 0.000 0.430 238 S N 0.391 116.114 115.700 0.037 0.000 2.446 238 S HA 0.095 4.565 4.470 0.000 0.000 0.225 238 S C 1.957 176.570 174.600 0.022 0.000 1.016 238 S CA 0.893 59.115 58.200 0.037 0.000 0.943 238 S CB -0.051 63.175 63.200 0.044 0.000 0.786 238 S HN 0.534 nan 8.310 nan 0.000 0.508 239 A N 1.240 124.072 122.820 0.021 0.000 2.123 239 A HA 0.107 4.427 4.320 0.000 0.000 0.214 239 A C 0.720 178.312 177.584 0.015 0.000 1.152 239 A CA 0.060 52.105 52.037 0.014 0.000 0.728 239 A CB -0.375 18.633 19.000 0.013 0.000 0.814 239 A HN 0.406 nan 8.150 nan 0.000 0.464 240 D N 0.819 121.233 120.400 0.024 0.000 2.531 240 D HA 0.046 4.686 4.640 0.000 0.000 0.239 240 D C -0.558 175.769 176.300 0.044 0.000 1.144 240 D CA -0.780 53.242 54.000 0.037 0.000 0.869 240 D CB 0.908 41.744 40.800 0.059 0.000 1.160 240 D HN 0.155 nan 8.370 nan 0.000 0.484 241 P HA -0.248 nan 4.420 nan 0.000 0.212 241 P C 0.989 178.283 177.300 -0.009 0.000 1.178 241 P CA 1.615 64.668 63.100 -0.079 0.000 0.915 241 P CB -0.105 31.429 31.700 -0.277 0.000 0.788 242 Y N -0.240 120.170 120.300 0.183 0.000 2.184 242 Y HA 0.140 4.690 4.550 0.000 0.000 0.290 242 Y C 1.942 178.008 175.900 0.277 0.000 1.129 242 Y CA 1.157 59.404 58.100 0.244 0.000 1.144 242 Y CB -0.877 37.692 38.460 0.182 0.000 0.995 242 Y HN 0.128 nan 8.280 nan 0.000 0.513 243 G N 0.527 109.528 108.800 0.335 0.000 2.303 243 G HA2 -0.226 3.734 3.960 0.000 0.000 0.260 243 G HA3 -0.226 3.734 3.960 0.000 0.000 0.260 243 G C 0.028 175.099 174.900 0.285 0.000 1.106 243 G CA 0.386 45.638 45.100 0.254 0.000 0.900 243 G HN 0.367 nan 8.290 nan 0.000 0.495 244 D N -0.031 120.524 120.400 0.259 0.000 2.346 244 D HA 0.070 4.711 4.640 0.000 0.000 0.206 244 D C 2.393 178.697 176.300 0.006 0.000 1.001 244 D CA 0.942 55.081 54.000 0.231 0.000 0.871 244 D CB 0.041 41.008 40.800 0.278 0.000 0.943 244 D HN 0.392 nan 8.370 nan 0.000 0.518 245 S N 0.621 116.312 115.700 -0.015 0.000 2.370 245 S HA -0.110 4.360 4.470 0.000 0.000 0.226 245 S C 1.153 175.642 174.600 -0.185 0.000 1.033 245 S CA 0.922 59.050 58.200 -0.119 0.000 1.011 245 S CB -0.162 62.992 63.200 -0.076 0.000 0.852 245 S HN 0.445 nan 8.310 nan 0.000 0.457 246 M N -0.573 118.941 119.600 -0.144 0.000 2.298 246 M HA 0.457 4.937 4.480 0.000 0.000 0.255 246 M C -1.276 175.011 176.300 -0.021 0.000 1.021 246 M CA -0.711 54.489 55.300 -0.168 0.000 0.968 246 M CB 0.906 33.473 32.600 -0.055 0.000 2.037 246 M HN 0.010 nan 8.290 nan 0.000 0.478 247 F N 1.263 121.315 119.950 0.169 0.000 2.735 247 F HA 0.758 5.285 4.527 0.000 0.000 0.304 247 F C -1.077 174.890 175.800 0.279 0.000 1.119 247 F CA -1.413 56.694 58.000 0.178 0.000 1.280 247 F CB -0.046 39.048 39.000 0.157 0.000 0.994 247 F HN 0.523 nan 8.300 nan 0.000 0.520 248 F N 1.186 121.287 119.950 0.252 0.000 2.652 248 F HA 0.518 5.046 4.527 0.000 0.000 0.320 248 F C -1.907 173.949 175.800 0.092 0.000 1.115 248 F CA -1.611 56.505 58.000 0.194 0.000 1.053 248 F CB 1.005 40.162 39.000 0.261 0.000 1.297 248 F HN 0.136 nan 8.300 nan 0.000 0.471 249 C N 7.682 126.664 119.300 -0.530 0.000 2.752 249 C HA 0.861 5.321 4.460 0.000 0.000 0.360 249 C C -2.322 172.363 174.990 -0.508 0.000 1.081 249 C CA -0.546 58.262 59.018 -0.349 0.000 1.272 249 C CB 0.367 28.058 27.740 -0.082 0.000 1.754 249 C HN 0.778 nan 8.230 nan 0.000 0.483 250 L N 6.475 127.468 121.223 -0.385 0.000 2.438 250 L HA 0.790 5.130 4.340 0.000 0.000 0.270 250 L C -0.048 176.725 176.870 -0.161 0.000 0.972 250 L CA -0.096 54.534 54.840 -0.350 0.000 0.831 250 L CB 1.818 43.596 42.059 -0.468 0.000 1.273 250 L HN 0.886 nan 8.230 nan 0.000 0.405 251 R N 2.207 122.620 120.500 -0.145 0.000 2.808 251 R HA 0.962 5.303 4.340 0.000 0.000 0.272 251 R C -0.984 175.277 176.300 -0.065 0.000 0.995 251 R CA -1.125 54.940 56.100 -0.059 0.000 0.917 251 R CB 2.292 32.554 30.300 -0.063 0.000 1.217 251 R HN 0.490 nan 8.270 nan 0.000 0.471 252 R N 1.354 121.848 120.500 -0.010 0.000 2.879 252 R HA 0.124 4.464 4.340 0.000 0.000 0.291 252 R C -1.625 174.702 176.300 0.045 0.000 1.246 252 R CA -0.286 55.811 56.100 -0.005 0.000 1.083 252 R CB 1.215 31.491 30.300 -0.040 0.000 1.274 252 R HN 0.983 nan 8.270 nan 0.000 0.393 253 E N 3.773 124.013 120.200 0.066 0.000 2.378 253 E HA 0.507 4.857 4.350 0.000 0.000 0.265 253 E C -1.371 175.277 176.600 0.080 0.000 0.932 253 E CA -1.085 55.372 56.400 0.095 0.000 0.795 253 E CB 2.634 32.415 29.700 0.135 0.000 1.296 253 E HN 0.574 nan 8.360 nan 0.000 0.438 254 Q N 0.599 120.456 119.800 0.094 0.000 2.574 254 Q HA 0.489 4.829 4.340 0.000 0.000 0.265 254 Q C -1.462 174.607 176.000 0.116 0.000 0.975 254 Q CA -1.081 54.779 55.803 0.094 0.000 0.923 254 Q CB 1.374 30.164 28.738 0.086 0.000 1.518 254 Q HN 0.603 nan 8.270 nan 0.000 0.401 255 L N -1.143 120.156 121.223 0.128 0.000 3.064 255 L HA 0.901 5.241 4.340 0.000 0.000 0.282 255 L C -1.631 175.375 176.870 0.226 0.000 1.045 255 L CA -0.888 54.034 54.840 0.137 0.000 0.986 255 L CB 0.593 42.684 42.059 0.052 0.000 1.571 255 L HN 1.130 nan 8.230 nan 0.000 0.377 256 F N -1.315 118.643 119.950 0.014 0.000 2.741 256 F HA 0.892 5.419 4.527 0.000 0.000 0.311 256 F C -1.073 174.730 175.800 0.006 0.000 1.149 256 F CA -0.633 57.370 58.000 0.006 0.000 0.930 256 F CB 0.923 39.923 39.000 -0.000 0.000 1.312 256 F HN 0.902 nan 8.300 nan 0.000 0.450 257 A N 2.514 125.398 122.820 0.107 0.000 2.302 257 A HA 0.609 4.929 4.320 0.000 0.000 0.295 257 A C 0.779 178.328 177.584 -0.058 0.000 1.235 257 A CA -0.305 51.744 52.037 0.020 0.000 0.876 257 A CB 0.804 19.972 19.000 0.281 0.000 1.133 257 A HN 0.948 nan 8.150 nan 0.000 0.533 258 R N 1.688 121.993 120.500 -0.325 0.000 2.055 258 R HA 0.120 4.460 4.340 0.000 0.000 0.221 258 R C -0.207 175.757 176.300 -0.560 0.000 1.154 258 R CA 1.461 57.370 56.100 -0.319 0.000 0.975 258 R CB -0.125 30.033 30.300 -0.237 0.000 0.869 258 R HN 0.839 nan 8.270 nan 0.000 0.437 259 H N -1.745 117.020 119.070 -0.508 0.000 2.690 259 H HA 0.384 4.940 4.556 0.000 0.000 0.368 259 H C -1.269 173.685 175.328 -0.624 0.000 1.150 259 H CA -0.603 54.981 56.048 -0.773 0.000 1.174 259 H CB 1.518 30.669 29.762 -1.017 0.000 1.684 259 H HN 0.012 nan 8.280 nan 0.000 0.538 260 F N 2.299 121.931 119.950 -0.530 0.000 2.411 260 F HA 0.292 4.819 4.527 0.000 0.000 0.352 260 F C -0.487 175.192 175.800 -0.202 0.000 1.123 260 F CA -0.770 57.041 58.000 -0.315 0.000 1.044 260 F CB 1.187 40.093 39.000 -0.157 0.000 1.135 260 F HN 0.214 nan 8.300 nan 0.000 0.461 261 W N 1.489 123.011 121.300 0.371 0.000 2.967 261 W HA 0.345 5.006 4.660 0.000 0.000 0.342 261 W C -0.674 176.019 176.519 0.289 0.000 1.162 261 W CA -1.116 56.408 57.345 0.298 0.000 1.085 261 W CB 1.281 30.905 29.460 0.274 0.000 1.460 261 W HN 0.405 nan 8.180 nan 0.000 0.584 262 N N 0.380 119.366 118.700 0.477 0.000 2.483 262 N HA 0.471 5.212 4.740 0.000 0.000 0.285 262 N C -0.740 174.837 175.510 0.111 0.000 1.210 262 N CA -0.641 52.537 53.050 0.213 0.000 0.931 262 N CB 1.206 39.782 38.487 0.149 0.000 1.220 262 N HN -0.046 nan 8.380 nan 0.000 0.542 263 R N 0.948 121.444 120.500 -0.007 0.000 2.494 263 R HA 0.447 4.787 4.340 0.000 0.000 0.305 263 R C -0.867 175.396 176.300 -0.063 0.000 0.959 263 R CA -0.615 55.460 56.100 -0.042 0.000 0.864 263 R CB 1.412 31.677 30.300 -0.057 0.000 1.159 263 R HN 0.595 nan 8.270 nan 0.000 0.446 264 A N 1.149 123.926 122.820 -0.071 0.000 2.351 264 A HA 0.723 5.043 4.320 0.000 0.000 0.257 264 A C 0.497 178.039 177.584 -0.070 0.000 1.087 264 A CA 0.631 52.629 52.037 -0.066 0.000 0.798 264 A CB 0.450 19.408 19.000 -0.069 0.000 1.033 264 A HN 0.855 nan 8.150 nan 0.000 0.488 265 G N -0.531 108.233 108.800 -0.060 0.000 2.381 265 G HA2 0.457 4.418 3.960 0.000 0.000 0.672 265 G HA3 0.457 4.418 3.960 0.000 0.000 0.672 265 G C -0.234 174.635 174.900 -0.052 0.000 1.324 265 G CA -0.079 44.987 45.100 -0.057 0.000 0.975 265 G HN 2.002 nan 8.290 nan 0.000 0.593 266 T N -0.938 113.589 114.554 -0.046 0.000 2.909 266 T HA 0.612 4.962 4.350 0.000 0.000 0.289 266 T C 0.824 175.498 174.700 -0.044 0.000 1.005 266 T CA -0.633 61.443 62.100 -0.041 0.000 1.084 266 T CB 1.077 69.926 68.868 -0.032 0.000 0.975 266 T HN 0.604 nan 8.240 nan 0.000 0.509 267 M N 3.277 122.850 119.600 -0.044 0.000 2.184 267 M HA 0.237 4.717 4.480 0.000 0.000 0.351 267 M C 1.647 177.928 176.300 -0.032 0.000 1.395 267 M CA -0.421 54.851 55.300 -0.045 0.000 1.117 267 M CB 0.274 32.845 32.600 -0.048 0.000 1.708 267 M HN 1.087 nan 8.290 nan 0.000 0.468 268 G N 3.491 112.271 108.800 -0.033 0.000 2.453 268 G HA2 -0.092 3.868 3.960 0.000 0.000 0.215 268 G HA3 -0.092 3.868 3.960 0.000 0.000 0.215 268 G C 0.243 175.132 174.900 -0.019 0.000 1.201 268 G CA 0.330 45.414 45.100 -0.025 0.000 0.784 268 G HN 0.622 nan 8.290 nan 0.000 0.545 269 D N 1.178 121.566 120.400 -0.021 0.000 2.277 269 D HA 0.342 4.982 4.640 0.000 0.000 0.249 269 D C -0.158 176.139 176.300 -0.005 0.000 1.134 269 D CA 0.178 54.171 54.000 -0.012 0.000 0.863 269 D CB 1.370 42.162 40.800 -0.013 0.000 1.143 269 D HN -0.008 nan 8.370 nan 0.000 0.458 270 T N 0.775 115.333 114.554 0.007 0.000 2.817 270 T HA 0.191 4.541 4.350 0.000 0.000 0.293 270 T C 0.721 175.449 174.700 0.047 0.000 0.964 270 T CA -0.729 61.384 62.100 0.023 0.000 1.085 270 T CB 1.117 70.003 68.868 0.029 0.000 0.921 270 T HN 0.032 nan 8.240 nan 0.000 0.502 271 V N 6.362 126.315 119.914 0.065 0.000 2.458 271 V HA 0.093 4.214 4.120 0.000 0.000 0.287 271 V C -1.790 174.425 176.094 0.201 0.000 1.009 271 V CA -1.355 61.017 62.300 0.119 0.000 1.091 271 V CB -0.520 31.363 31.823 0.100 0.000 0.960 271 V HN 0.751 nan 8.190 nan 0.000 0.476 272 P HA 0.014 nan 4.420 nan 0.000 0.261 272 P C 0.870 178.192 177.300 0.036 0.000 1.183 272 P CA 0.114 63.260 63.100 0.077 0.000 0.761 272 P CB 0.421 32.148 31.700 0.045 0.000 0.785 273 Q N 1.855 121.603 119.800 -0.086 0.000 2.248 273 Q HA -0.144 4.196 4.340 0.000 0.000 0.208 273 Q C 1.489 177.262 176.000 -0.378 0.000 0.984 273 Q CA 1.991 57.576 55.803 -0.363 0.000 0.875 273 Q CB -0.384 28.214 28.738 -0.234 0.000 0.910 273 Q HN 0.595 nan 8.270 nan 0.000 0.433 274 S N -0.751 114.848 115.700 -0.167 0.000 2.660 274 S HA 0.061 4.531 4.470 0.000 0.000 0.228 274 S C 1.444 176.003 174.600 -0.069 0.000 0.966 274 S CA 0.162 58.293 58.200 -0.114 0.000 0.940 274 S CB -0.118 63.048 63.200 -0.058 0.000 0.773 274 S HN 0.277 nan 8.310 nan 0.000 0.535 275 L N 0.204 121.400 121.223 -0.045 0.000 2.766 275 L HA 0.431 4.771 4.340 0.000 0.000 0.242 275 L C -0.083 176.908 176.870 0.203 0.000 1.136 275 L CA -0.465 54.429 54.840 0.090 0.000 0.933 275 L CB 0.108 42.262 42.059 0.159 0.000 1.241 275 L HN 0.595 nan 8.230 nan 0.000 0.522 276 Y N -3.021 117.286 120.300 0.011 0.000 2.750 276 Y HA 0.636 5.186 4.550 0.000 0.000 0.335 276 Y C -1.382 174.524 175.900 0.011 0.000 1.252 276 Y CA -1.731 56.377 58.100 0.013 0.000 1.064 276 Y CB 0.765 39.236 38.460 0.017 0.000 1.321 276 Y HN -0.271 nan 8.280 nan 0.000 0.451 277 I N 2.535 123.239 120.570 0.223 0.000 2.355 277 I HA 0.348 4.518 4.170 0.000 0.000 0.288 277 I C -0.141 176.106 176.117 0.218 0.000 0.999 277 I CA -1.512 59.852 61.300 0.106 0.000 1.163 277 I CB 1.313 39.357 38.000 0.073 0.000 1.316 277 I HN 0.538 nan 8.210 nan 0.000 0.454 278 K N 3.120 123.614 120.400 0.156 0.000 2.518 278 K HA 0.340 4.660 4.320 0.000 0.000 0.276 278 K C 0.634 177.306 176.600 0.119 0.000 0.974 278 K CA 0.233 56.636 56.287 0.193 0.000 0.986 278 K CB 0.537 33.105 32.500 0.113 0.000 0.901 278 K HN 0.887 nan 8.250 nan 0.000 0.497 279 G N 0.517 109.380 108.800 0.104 0.000 3.212 279 G HA2 0.505 4.465 3.960 0.000 0.000 0.188 279 G HA3 0.505 4.465 3.960 0.000 0.000 0.188 279 G C -0.772 174.158 174.900 0.050 0.000 1.254 279 G CA -0.404 44.735 45.100 0.065 0.000 0.957 279 G HN 0.609 nan 8.290 nan 0.000 0.596 280 T N -3.413 111.163 114.554 0.037 0.000 2.907 280 T HA 0.704 5.054 4.350 0.000 0.000 0.290 280 T C 0.855 175.569 174.700 0.024 0.000 1.066 280 T CA 0.478 62.595 62.100 0.029 0.000 1.012 280 T CB 1.226 70.109 68.868 0.023 0.000 1.184 280 T HN 2.304 nan 8.240 nan 0.000 0.522 281 G N 1.539 110.350 108.800 0.019 0.000 2.574 281 G HA2 -0.353 3.607 3.960 0.000 0.000 0.282 281 G HA3 -0.353 3.607 3.960 0.000 0.000 0.282 281 G C 0.991 175.899 174.900 0.014 0.000 1.257 281 G CA 1.117 46.227 45.100 0.016 0.000 0.956 281 G HN 1.594 nan 8.290 nan 0.000 0.560 282 M N -0.668 118.939 119.600 0.012 0.000 2.202 282 M HA 0.061 4.541 4.480 0.000 0.000 0.262 282 M C 2.184 178.488 176.300 0.006 0.000 1.063 282 M CA 2.551 57.855 55.300 0.008 0.000 1.097 282 M CB -0.252 32.353 32.600 0.008 0.000 1.382 282 M HN 0.408 nan 8.290 nan 0.000 0.413 283 R N 0.725 121.232 120.500 0.012 0.000 2.328 283 R HA 0.211 4.551 4.340 0.000 0.000 0.206 283 R C 1.993 178.307 176.300 0.024 0.000 0.990 283 R CA 0.361 56.468 56.100 0.012 0.000 1.085 283 R CB -0.188 30.124 30.300 0.019 0.000 0.998 283 R HN 0.612 nan 8.270 nan 0.000 0.484 284 A N 0.109 122.945 122.820 0.027 0.000 1.872 284 A HA -0.017 4.303 4.320 0.000 0.000 0.214 284 A C 1.143 178.762 177.584 0.058 0.000 1.187 284 A CA 0.893 52.957 52.037 0.046 0.000 0.614 284 A CB 0.133 19.155 19.000 0.036 0.000 0.826 284 A HN 0.211 nan 8.150 nan 0.000 0.442 285 S N 0.497 116.212 115.700 0.024 0.000 2.472 285 S HA 0.555 5.025 4.470 0.000 0.000 0.303 285 S C -2.788 171.771 174.600 -0.068 0.000 1.099 285 S CA -1.792 56.413 58.200 0.008 0.000 1.077 285 S CB 1.089 64.297 63.200 0.014 0.000 1.031 285 S HN 0.272 nan 8.310 nan 0.000 0.487 286 P HA 0.229 nan 4.420 nan 0.000 0.269 286 P C 0.508 177.732 177.300 -0.126 0.000 1.209 286 P CA -0.157 62.800 63.100 -0.239 0.000 0.776 286 P CB 0.319 31.760 31.700 -0.432 0.000 0.876 287 G N 1.171 109.911 108.800 -0.101 0.000 2.666 287 G HA2 0.203 4.163 3.960 0.000 0.000 0.207 287 G HA3 0.203 4.163 3.960 0.000 0.000 0.207 287 G C -0.278 174.567 174.900 -0.091 0.000 1.481 287 G CA -0.405 44.654 45.100 -0.069 0.000 1.071 287 G HN 0.598 nan 8.290 nan 0.000 0.572 288 S N -1.837 113.806 115.700 -0.096 0.000 2.549 288 S HA 0.236 4.707 4.470 0.000 0.000 0.279 288 S C 0.283 174.716 174.600 -0.279 0.000 1.321 288 S CA -0.624 57.483 58.200 -0.155 0.000 1.054 288 S CB 0.103 63.219 63.200 -0.139 0.000 0.899 288 S HN 0.521 nan 8.310 nan 0.000 0.497 289 C N 5.008 124.109 119.300 -0.330 0.000 2.859 289 C HA 0.384 4.844 4.460 0.000 0.000 0.256 289 C C -0.366 174.291 174.990 -0.555 0.000 1.660 289 C CA -0.715 58.020 59.018 -0.472 0.000 1.755 289 C CB -1.231 26.415 27.740 -0.155 0.000 3.127 289 C HN 0.622 nan 8.230 nan 0.000 0.494 290 V N 1.756 121.333 119.914 -0.563 0.000 2.304 290 V HA 0.370 4.490 4.120 0.000 0.000 0.278 290 V C -0.751 175.134 176.094 -0.347 0.000 1.018 290 V CA -0.343 61.767 62.300 -0.317 0.000 0.814 290 V CB -0.142 31.588 31.823 -0.155 0.000 1.021 290 V HN 0.454 nan 8.190 nan 0.000 0.440 291 Y N 2.149 122.471 120.300 0.037 0.000 2.419 291 Y HA 0.704 5.255 4.550 0.000 0.000 0.328 291 Y C 0.717 176.661 175.900 0.075 0.000 1.162 291 Y CA -0.629 57.508 58.100 0.061 0.000 1.174 291 Y CB 2.080 40.543 38.460 0.004 0.000 1.228 291 Y HN 0.626 nan 8.280 nan 0.000 0.473 292 S N 2.392 118.276 115.700 0.306 0.000 2.603 292 S HA 0.555 5.025 4.470 0.000 0.000 0.274 292 S C -3.360 171.401 174.600 0.268 0.000 1.168 292 S CA -1.455 56.898 58.200 0.256 0.000 0.963 292 S CB 2.266 65.651 63.200 0.309 0.000 1.078 292 S HN 0.398 nan 8.310 nan 0.000 0.477 293 P HA 0.414 nan 4.420 nan 0.000 0.287 293 P C -0.412 176.883 177.300 -0.008 0.000 1.270 293 P CA -0.508 62.627 63.100 0.059 0.000 0.844 293 P CB 1.524 33.227 31.700 0.004 0.000 1.068 294 S N 2.744 118.390 115.700 -0.090 0.000 2.499 294 S HA 0.398 4.868 4.470 0.000 0.000 0.275 294 S C -1.927 172.562 174.600 -0.185 0.000 1.257 294 S CA -1.180 56.980 58.200 -0.066 0.000 1.050 294 S CB 0.070 63.219 63.200 -0.085 0.000 0.937 294 S HN 0.352 nan 8.310 nan 0.000 0.490 295 P HA 0.368 nan 4.420 nan 0.000 0.275 295 P C -0.479 176.666 177.300 -0.259 0.000 1.266 295 P CA -0.483 62.481 63.100 -0.228 0.000 0.793 295 P CB 0.885 32.484 31.700 -0.168 0.000 1.074 296 S N -1.411 114.099 115.700 -0.317 0.000 2.596 296 S HA 0.486 4.956 4.470 0.000 0.000 0.305 296 S C -0.811 173.658 174.600 -0.218 0.000 1.086 296 S CA -0.604 57.383 58.200 -0.356 0.000 0.909 296 S CB -0.147 62.623 63.200 -0.716 0.000 1.106 296 S HN 0.684 nan 8.310 nan 0.000 0.450 297 G N 2.573 111.379 108.800 0.010 0.000 2.332 297 G HA2 0.524 4.484 3.960 0.000 0.000 0.310 297 G HA3 0.524 4.484 3.960 0.000 0.000 0.310 297 G C 0.523 175.549 174.900 0.210 0.000 1.123 297 G CA -0.041 45.139 45.100 0.133 0.000 0.873 297 G HN 0.790 nan 8.290 nan 0.000 0.460 298 S N 1.387 117.272 115.700 0.308 0.000 2.373 298 S HA 0.131 4.601 4.470 0.000 0.000 0.219 298 S C 1.037 175.729 174.600 0.155 0.000 1.377 298 S CA -0.309 58.061 58.200 0.285 0.000 1.021 298 S CB -0.205 63.096 63.200 0.168 0.000 0.777 298 S HN 0.371 nan 8.310 nan 0.000 0.463 299 I N 1.073 121.699 120.570 0.094 0.000 2.683 299 I HA 0.120 4.290 4.170 0.000 0.000 0.286 299 I C -0.039 176.117 176.117 0.064 0.000 1.175 299 I CA 0.486 61.825 61.300 0.064 0.000 1.429 299 I CB 0.653 38.672 38.000 0.033 0.000 1.371 299 I HN 0.218 nan 8.210 nan 0.000 0.569 300 V N 6.908 126.858 119.914 0.060 0.000 2.347 300 V HA 0.579 4.699 4.120 0.000 0.000 0.280 300 V C -0.146 175.973 176.094 0.041 0.000 1.021 300 V CA 0.095 62.429 62.300 0.057 0.000 0.847 300 V CB 1.420 33.282 31.823 0.065 0.000 0.990 300 V HN 0.863 nan 8.190 nan 0.000 0.444 301 T N 3.155 117.729 114.554 0.033 0.000 2.930 301 T HA 0.409 4.759 4.350 0.000 0.000 0.290 301 T C 1.186 175.898 174.700 0.019 0.000 1.052 301 T CA 0.151 62.265 62.100 0.023 0.000 1.017 301 T CB 1.950 70.828 68.868 0.016 0.000 1.137 301 T HN 1.027 nan 8.240 nan 0.000 0.511 302 S N 1.488 117.197 115.700 0.014 0.000 2.436 302 S HA -0.049 4.421 4.470 0.000 0.000 0.228 302 S C 1.267 175.869 174.600 0.004 0.000 1.014 302 S CA 0.830 59.037 58.200 0.011 0.000 0.950 302 S CB -0.345 62.860 63.200 0.008 0.000 0.784 302 S HN 0.773 nan 8.310 nan 0.000 0.504 303 D N 2.603 123.005 120.400 0.003 0.000 2.182 303 D HA -0.078 4.563 4.640 0.000 0.000 0.201 303 D C 1.631 177.928 176.300 -0.005 0.000 0.986 303 D CA 1.657 55.656 54.000 -0.002 0.000 0.847 303 D CB -0.347 40.453 40.800 -0.001 0.000 0.942 303 D HN 0.702 nan 8.370 nan 0.000 0.467 304 S N -0.367 115.331 115.700 -0.003 0.000 2.583 304 S HA 0.150 4.620 4.470 0.000 0.000 0.239 304 S C 0.551 175.137 174.600 -0.023 0.000 0.966 304 S CA -0.622 57.572 58.200 -0.010 0.000 0.973 304 S CB 0.558 63.757 63.200 -0.002 0.000 0.794 304 S HN -0.091 nan 8.310 nan 0.000 0.463 305 Q N 1.001 120.789 119.800 -0.020 0.000 2.392 305 Q HA 0.436 4.776 4.340 0.000 0.000 0.262 305 Q C 0.386 176.332 176.000 -0.091 0.000 1.003 305 Q CA -0.126 55.656 55.803 -0.035 0.000 0.888 305 Q CB 0.996 29.736 28.738 0.003 0.000 1.260 305 Q HN 0.386 nan 8.270 nan 0.000 0.435 306 L N 2.424 123.502 121.223 -0.242 0.000 2.638 306 L HA 0.417 4.757 4.340 0.000 0.000 0.232 306 L C -0.656 175.973 176.870 -0.402 0.000 1.099 306 L CA 0.390 55.003 54.840 -0.378 0.000 0.883 306 L CB 0.301 41.958 42.059 -0.670 0.000 1.136 306 L HN 0.619 nan 8.230 nan 0.000 0.492 307 F N -0.990 119.023 119.950 0.105 0.000 2.629 307 F HA 0.313 4.840 4.527 0.000 0.000 0.386 307 F C 1.411 177.205 175.800 -0.010 0.000 1.135 307 F CA -0.761 57.286 58.000 0.078 0.000 1.116 307 F CB 0.270 39.294 39.000 0.041 0.000 1.426 307 F HN -0.160 nan 8.300 nan 0.000 0.501 308 N N -0.590 118.229 118.700 0.198 0.000 2.732 308 N HA -0.229 4.511 4.740 0.000 0.000 0.250 308 N C -1.126 174.348 175.510 -0.059 0.000 1.097 308 N CA 0.716 53.784 53.050 0.030 0.000 0.812 308 N CB -0.755 37.747 38.487 0.025 0.000 1.148 308 N HN 0.384 nan 8.380 nan 0.000 0.572 309 K N 0.325 120.654 120.400 -0.117 0.000 2.318 309 K HA 0.484 4.804 4.320 0.000 0.000 0.249 309 K C -2.583 173.688 176.600 -0.549 0.000 0.942 309 K CA -1.650 54.443 56.287 -0.323 0.000 0.808 309 K CB 2.266 34.523 32.500 -0.405 0.000 1.189 309 K HN -0.133 nan 8.250 nan 0.000 0.428 310 P HA 0.208 nan 4.420 nan 0.000 0.279 310 P C -1.390 175.200 177.300 -1.184 0.000 1.252 310 P CA -0.357 62.256 63.100 -0.811 0.000 0.811 310 P CB 0.687 31.916 31.700 -0.785 0.000 1.035 311 Y N -0.492 119.315 120.300 -0.821 0.000 2.457 311 Y HA 0.380 4.930 4.550 0.000 0.000 0.343 311 Y C -0.584 174.865 175.900 -0.752 0.000 0.994 311 Y CA -0.451 57.272 58.100 -0.628 0.000 1.031 311 Y CB 1.841 40.225 38.460 -0.126 0.000 1.246 311 Y HN 0.357 nan 8.280 nan 0.000 0.449 312 W N 4.588 125.997 121.300 0.180 0.000 2.417 312 W HA 0.624 5.284 4.660 0.000 0.000 0.315 312 W C -0.999 175.650 176.519 0.217 0.000 1.045 312 W CA -0.921 56.501 57.345 0.128 0.000 1.221 312 W CB 0.953 30.493 29.460 0.134 0.000 1.309 312 W HN 0.267 nan 8.180 nan 0.000 0.453 313 L N 5.777 127.186 121.223 0.311 0.000 2.395 313 L HA 0.092 4.432 4.340 0.000 0.000 0.268 313 L C 1.780 178.820 176.870 0.284 0.000 1.223 313 L CA -0.593 54.414 54.840 0.278 0.000 1.093 313 L CB -0.763 41.328 42.059 0.053 0.000 1.349 313 L HN 0.664 nan 8.230 nan 0.000 0.427 314 H N 1.608 120.810 119.070 0.220 0.000 2.267 314 H HA -0.029 4.527 4.556 0.000 0.000 0.297 314 H C -0.020 175.382 175.328 0.123 0.000 1.080 314 H CA 0.846 56.994 56.048 0.167 0.000 1.278 314 H CB -0.071 29.788 29.762 0.162 0.000 1.365 314 H HN 0.394 nan 8.280 nan 0.000 0.489 315 K N 0.324 120.313 120.400 -0.685 0.000 2.695 315 K HA 0.577 4.897 4.320 0.000 0.000 0.255 315 K C -0.832 175.566 176.600 -0.337 0.000 1.016 315 K CA 0.030 56.099 56.287 -0.364 0.000 0.928 315 K CB 2.820 35.193 32.500 -0.212 0.000 1.235 315 K HN 0.465 nan 8.250 nan 0.000 0.467 316 A N 1.786 124.539 122.820 -0.110 0.000 2.521 316 A HA -0.061 4.259 4.320 0.000 0.000 0.237 316 A C 1.251 178.861 177.584 0.043 0.000 1.087 316 A CA 0.430 52.489 52.037 0.036 0.000 0.777 316 A CB 0.257 19.328 19.000 0.117 0.000 1.035 316 A HN 0.876 nan 8.150 nan 0.000 0.510 317 Q N 1.063 120.922 119.800 0.099 0.000 2.096 317 Q HA 0.235 4.575 4.340 0.000 0.000 0.197 317 Q C 1.073 177.095 176.000 0.037 0.000 0.964 317 Q CA 1.275 57.114 55.803 0.061 0.000 0.838 317 Q CB -0.730 28.048 28.738 0.067 0.000 0.906 317 Q HN 0.817 nan 8.270 nan 0.000 0.444 318 G N -0.661 108.193 108.800 0.088 0.000 2.494 318 G HA2 0.141 4.101 3.960 0.000 0.000 0.270 318 G HA3 0.141 4.101 3.960 0.000 0.000 0.270 318 G C -0.212 174.727 174.900 0.066 0.000 1.423 318 G CA -0.053 45.079 45.100 0.053 0.000 1.055 318 G HN 0.439 nan 8.290 nan 0.000 0.536 319 H N -1.076 118.105 119.070 0.185 0.000 2.465 319 H HA 0.077 4.633 4.556 0.000 0.000 0.289 319 H C 0.829 176.288 175.328 0.219 0.000 1.022 319 H CA -0.015 56.149 56.048 0.193 0.000 1.340 319 H CB 0.383 30.282 29.762 0.229 0.000 1.437 319 H HN 0.250 nan 8.280 nan 0.000 0.539 320 N N 1.458 120.401 118.700 0.406 0.000 2.430 320 N HA -0.083 4.657 4.740 0.000 0.000 0.265 320 N C -0.761 174.870 175.510 0.202 0.000 1.100 320 N CA 0.140 53.405 53.050 0.359 0.000 0.961 320 N CB 0.421 39.208 38.487 0.500 0.000 1.075 320 N HN 0.241 nan 8.380 nan 0.000 0.478 321 N N 2.923 121.639 118.700 0.026 0.000 3.271 321 N HA 0.156 4.896 4.740 0.000 0.000 0.303 321 N C 0.468 175.773 175.510 -0.341 0.000 1.415 321 N CA 0.332 53.318 53.050 -0.107 0.000 1.159 321 N CB -0.471 37.976 38.487 -0.066 0.000 1.432 321 N HN 0.851 nan 8.380 nan 0.000 0.521 322 G N 0.162 108.475 108.800 -0.812 0.000 2.148 322 G HA2 -0.264 3.697 3.960 0.000 0.000 0.254 322 G HA3 -0.264 3.697 3.960 0.000 0.000 0.254 322 G C 0.088 174.628 174.900 -0.600 0.000 0.981 322 G CA 0.239 44.567 45.100 -1.288 0.000 0.670 322 G HN 0.329 nan 8.290 nan 0.000 0.528 323 V N 1.033 120.707 119.914 -0.399 0.000 2.439 323 V HA 0.249 4.369 4.120 0.000 0.000 0.271 323 V C 1.167 177.044 176.094 -0.362 0.000 1.040 323 V CA -0.039 62.001 62.300 -0.434 0.000 1.002 323 V CB 1.029 32.413 31.823 -0.731 0.000 1.000 323 V HN 0.428 nan 8.190 nan 0.000 0.477 324 C N 5.908 125.102 119.300 -0.176 0.000 2.145 324 C HA 0.287 4.747 4.460 0.000 0.000 0.374 324 C C 0.415 175.436 174.990 0.051 0.000 1.035 324 C CA -1.378 57.664 59.018 0.041 0.000 1.431 324 C CB -1.786 26.035 27.740 0.135 0.000 1.789 324 C HN 0.862 nan 8.230 nan 0.000 0.483 325 W N 1.846 123.303 121.300 0.261 0.000 2.170 325 W HA 0.251 4.911 4.660 0.000 0.000 0.342 325 W C 1.227 177.923 176.519 0.296 0.000 1.294 325 W CA 0.317 57.798 57.345 0.226 0.000 1.246 325 W CB -0.066 29.535 29.460 0.236 0.000 1.156 325 W HN 0.800 nan 8.180 nan 0.000 0.572 326 H N 0.293 119.552 119.070 0.315 0.000 3.211 326 H HA -0.256 4.300 4.556 0.000 0.000 0.240 326 H C 0.288 175.697 175.328 0.136 0.000 1.148 326 H CA 1.088 57.238 56.048 0.169 0.000 1.160 326 H CB -1.931 27.927 29.762 0.161 0.000 1.232 326 H HN 0.527 nan 8.280 nan 0.000 0.321 327 N N 0.151 118.985 118.700 0.223 0.000 2.705 327 N HA -0.212 4.528 4.740 0.000 0.000 0.255 327 N C -0.288 175.259 175.510 0.062 0.000 1.008 327 N CA 1.486 54.613 53.050 0.128 0.000 0.742 327 N CB -0.671 37.867 38.487 0.085 0.000 0.906 327 N HN 0.736 nan 8.380 nan 0.000 0.541 328 Q N -0.658 119.207 119.800 0.109 0.000 2.484 328 Q HA 0.786 5.126 4.340 0.000 0.000 0.285 328 Q C -1.135 174.897 176.000 0.054 0.000 1.097 328 Q CA -0.882 54.944 55.803 0.037 0.000 0.802 328 Q CB 2.451 31.274 28.738 0.141 0.000 1.444 328 Q HN 0.238 nan 8.270 nan 0.000 0.429 329 L N 1.143 122.316 121.223 -0.084 0.000 2.588 329 L HA 0.509 4.849 4.340 0.000 0.000 0.263 329 L C -2.097 174.696 176.870 -0.130 0.000 0.935 329 L CA -0.117 54.740 54.840 0.028 0.000 0.891 329 L CB 1.574 43.621 42.059 -0.020 0.000 1.318 329 L HN 0.478 nan 8.230 nan 0.000 0.409 330 F N 4.612 124.510 119.950 -0.086 0.000 2.444 330 F HA 0.657 5.184 4.527 0.000 0.000 0.342 330 F C -0.049 175.736 175.800 -0.025 0.000 1.121 330 F CA -0.805 57.114 58.000 -0.134 0.000 0.997 330 F CB 1.972 40.813 39.000 -0.266 0.000 1.130 330 F HN 0.085 nan 8.300 nan 0.000 0.454 331 V N 3.027 123.059 119.914 0.196 0.000 2.313 331 V HA 0.360 4.480 4.120 0.000 0.000 0.278 331 V C -0.255 175.976 176.094 0.228 0.000 1.017 331 V CA -0.637 61.817 62.300 0.258 0.000 0.823 331 V CB 1.299 33.324 31.823 0.337 0.000 1.010 331 V HN 0.765 nan 8.190 nan 0.000 0.443 332 T N 4.915 119.576 114.554 0.179 0.000 2.749 332 T HA 0.660 5.011 4.350 0.000 0.000 0.287 332 T C -0.223 174.597 174.700 0.201 0.000 0.970 332 T CA -0.326 61.863 62.100 0.148 0.000 0.980 332 T CB 1.484 70.421 68.868 0.114 0.000 0.924 332 T HN 0.343 nan 8.240 nan 0.000 0.456 333 V N 3.511 123.525 119.914 0.168 0.000 2.876 333 V HA 0.722 4.843 4.120 0.000 0.000 0.312 333 V C -0.754 175.436 176.094 0.159 0.000 1.085 333 V CA -0.777 61.643 62.300 0.199 0.000 0.945 333 V CB 2.482 34.404 31.823 0.166 0.000 1.017 333 V HN 0.694 nan 8.190 nan 0.000 0.428 334 V N 2.409 122.444 119.914 0.202 0.000 2.711 334 V HA 0.584 4.704 4.120 0.000 0.000 0.304 334 V C -1.521 174.711 176.094 0.231 0.000 1.097 334 V CA -0.431 61.931 62.300 0.104 0.000 0.906 334 V CB 1.979 33.770 31.823 -0.054 0.000 1.015 334 V HN 1.021 nan 8.190 nan 0.000 0.427 335 D N 2.310 122.818 120.400 0.180 0.000 2.478 335 D HA 0.375 5.015 4.640 0.000 0.000 0.240 335 D C 0.574 176.913 176.300 0.066 0.000 1.364 335 D CA 0.217 54.355 54.000 0.229 0.000 0.987 335 D CB 1.998 42.972 40.800 0.290 0.000 1.328 335 D HN 0.623 nan 8.370 nan 0.000 0.584 336 T N -0.502 114.062 114.554 0.016 0.000 3.105 336 T HA 0.036 4.386 4.350 0.000 0.000 0.253 336 T C 1.434 176.116 174.700 -0.030 0.000 1.047 336 T CA 0.567 62.584 62.100 -0.139 0.000 0.944 336 T CB -0.129 68.631 68.868 -0.179 0.000 1.016 336 T HN 0.325 nan 8.240 nan 0.000 0.544 337 T N -0.057 114.525 114.554 0.047 0.000 3.160 337 T HA 0.217 4.567 4.350 0.000 0.000 0.257 337 T C 0.863 175.590 174.700 0.045 0.000 1.147 337 T CA -0.295 61.841 62.100 0.061 0.000 1.064 337 T CB -0.357 68.560 68.868 0.083 0.000 0.949 337 T HN 0.404 nan 8.240 nan 0.000 0.526 338 R N 1.252 121.769 120.500 0.028 0.000 2.653 338 R HA 0.279 4.619 4.340 0.000 0.000 0.269 338 R C 0.207 176.549 176.300 0.071 0.000 1.603 338 R CA -0.040 56.084 56.100 0.040 0.000 1.671 338 R CB 0.870 31.182 30.300 0.020 0.000 1.300 338 R HN 0.406 nan 8.270 nan 0.000 0.668 339 S N -1.604 114.101 115.700 0.009 0.000 2.602 339 S HA 0.006 4.476 4.470 0.000 0.000 0.240 339 S C 0.663 175.190 174.600 -0.121 0.000 0.992 339 S CA -0.572 57.563 58.200 -0.109 0.000 0.971 339 S CB 0.238 63.342 63.200 -0.160 0.000 0.855 339 S HN 0.303 nan 8.310 nan 0.000 0.481 340 T N 2.169 116.727 114.554 0.007 0.000 2.871 340 T HA 0.189 4.539 4.350 0.000 0.000 0.296 340 T C -0.272 174.444 174.700 0.027 0.000 0.998 340 T CA -0.278 61.832 62.100 0.016 0.000 1.162 340 T CB -0.271 68.623 68.868 0.043 0.000 0.947 340 T HN 0.453 nan 8.240 nan 0.000 0.536 341 N N 2.714 121.403 118.700 -0.018 0.000 2.444 341 N HA 0.369 5.109 4.740 0.000 0.000 0.262 341 N C -0.259 175.264 175.510 0.020 0.000 0.974 341 N CA -0.781 52.261 53.050 -0.014 0.000 0.933 341 N CB 1.098 39.528 38.487 -0.095 0.000 1.137 341 N HN 0.506 nan 8.380 nan 0.000 0.498 342 L N 1.669 122.919 121.223 0.045 0.000 2.485 342 L HA 0.139 4.479 4.340 0.000 0.000 0.275 342 L C 0.498 177.390 176.870 0.037 0.000 1.207 342 L CA 0.238 55.102 54.840 0.039 0.000 0.855 342 L CB 0.173 42.256 42.059 0.040 0.000 1.114 342 L HN 0.454 nan 8.230 nan 0.000 0.485 343 T N 3.794 118.376 114.554 0.046 0.000 2.770 343 T HA 0.623 4.973 4.350 0.000 0.000 0.283 343 T C -0.337 174.411 174.700 0.080 0.000 0.988 343 T CA -0.307 61.831 62.100 0.062 0.000 0.957 343 T CB 0.935 69.835 68.868 0.052 0.000 0.930 343 T HN 0.152 nan 8.240 nan 0.000 0.443 344 I N 3.237 123.878 120.570 0.119 0.000 2.603 344 I HA 0.682 4.852 4.170 0.000 0.000 0.300 344 I C -0.184 176.062 176.117 0.215 0.000 1.017 344 I CA -0.739 60.638 61.300 0.129 0.000 1.098 344 I CB 1.800 39.850 38.000 0.083 0.000 1.279 344 I HN 0.835 nan 8.210 nan 0.000 0.437 345 C N 3.012 122.433 119.300 0.202 0.000 2.931 345 C HA 0.962 5.422 4.460 0.000 0.000 0.370 345 C C -0.498 174.641 174.990 0.247 0.000 1.071 345 C CA -0.855 58.331 59.018 0.281 0.000 1.266 345 C CB 0.405 28.309 27.740 0.275 0.000 1.691 345 C HN 1.064 nan 8.230 nan 0.000 0.511 346 A N 2.731 125.690 122.820 0.232 0.000 2.380 346 A HA 0.980 5.300 4.320 0.000 0.000 0.315 346 A C 0.104 177.689 177.584 0.001 0.000 1.101 346 A CA 0.046 52.146 52.037 0.106 0.000 0.771 346 A CB 1.327 20.358 19.000 0.051 0.000 1.287 346 A HN 2.095 nan 8.150 nan 0.000 0.436 347 S N 0.224 115.805 115.700 -0.197 0.000 2.646 347 S HA 0.427 4.897 4.470 0.000 0.000 0.276 347 S C 0.712 175.162 174.600 -0.248 0.000 1.222 347 S CA 0.262 58.168 58.200 -0.489 0.000 1.014 347 S CB 1.124 63.888 63.200 -0.726 0.000 0.991 347 S HN 0.608 nan 8.310 nan 0.000 0.533 348 T N 1.135 115.538 114.554 -0.251 0.000 2.851 348 T HA 0.023 4.373 4.350 0.000 0.000 0.262 348 T C 0.524 175.153 174.700 -0.118 0.000 1.043 348 T CA 0.957 62.980 62.100 -0.129 0.000 1.140 348 T CB -0.199 68.610 68.868 -0.099 0.000 0.872 348 T HN 0.577 nan 8.240 nan 0.000 0.446 349 Q N 1.198 120.904 119.800 -0.157 0.000 2.327 349 Q HA 0.316 4.657 4.340 0.000 0.000 0.254 349 Q C 1.297 177.239 176.000 -0.097 0.000 0.952 349 Q CA -0.047 55.691 55.803 -0.108 0.000 0.884 349 Q CB 1.295 29.971 28.738 -0.103 0.000 1.224 349 Q HN 0.147 nan 8.270 nan 0.000 0.422 350 S N 2.391 118.055 115.700 -0.060 0.000 2.345 350 S HA -0.043 4.427 4.470 0.000 0.000 0.219 350 S C -0.801 173.776 174.600 -0.038 0.000 1.031 350 S CA 0.768 58.941 58.200 -0.045 0.000 0.984 350 S CB -0.699 62.483 63.200 -0.030 0.000 0.874 350 S HN 0.496 nan 8.310 nan 0.000 0.451 351 P HA 0.128 nan 4.420 nan 0.000 0.225 351 P C -0.287 177.006 177.300 -0.011 0.000 1.148 351 P CA 0.537 63.628 63.100 -0.015 0.000 0.779 351 P CB -0.045 31.649 31.700 -0.010 0.000 0.780 352 V N -1.088 118.806 119.914 -0.033 0.000 5.357 352 V HA -0.109 4.011 4.120 0.000 0.000 0.346 352 V C -1.979 174.129 176.094 0.023 0.000 0.613 352 V CA -0.926 61.361 62.300 -0.022 0.000 1.319 352 V CB -2.276 29.556 31.823 0.015 0.000 1.571 352 V HN 0.291 nan 8.190 nan 0.000 0.485 353 P HA 0.065 nan 4.420 nan 0.000 0.264 353 P C 1.162 178.521 177.300 0.099 0.000 1.173 353 P CA 0.985 64.115 63.100 0.050 0.000 0.761 353 P CB 0.742 32.464 31.700 0.037 0.000 0.794 354 G N 0.998 109.846 108.800 0.079 0.000 2.985 354 G HA2 -0.011 3.950 3.960 0.000 0.000 0.209 354 G HA3 -0.011 3.950 3.960 0.000 0.000 0.209 354 G C 0.510 175.471 174.900 0.102 0.000 1.165 354 G CA 0.191 45.343 45.100 0.087 0.000 0.776 354 G HN 0.551 nan 8.290 nan 0.000 0.541 355 Q N 0.002 119.869 119.800 0.112 0.000 2.331 355 Q HA 0.463 4.804 4.340 0.000 0.000 0.267 355 Q C -1.420 174.684 176.000 0.174 0.000 1.006 355 Q CA -1.124 54.751 55.803 0.120 0.000 0.818 355 Q CB 1.191 29.975 28.738 0.076 0.000 1.276 355 Q HN 0.228 nan 8.270 nan 0.000 0.450 356 Y N 3.002 123.345 120.300 0.072 0.000 2.377 356 Y HA 0.417 4.967 4.550 0.000 0.000 0.330 356 Y C -0.877 175.070 175.900 0.078 0.000 1.108 356 Y CA 0.300 58.444 58.100 0.073 0.000 1.308 356 Y CB 0.892 39.350 38.460 -0.003 0.000 1.216 356 Y HN 0.666 nan 8.280 nan 0.000 0.518 357 D N 4.604 124.552 120.400 -0.753 0.000 2.470 357 D HA 0.323 4.963 4.640 0.000 0.000 0.233 357 D C 0.340 176.307 176.300 -0.555 0.000 1.372 357 D CA 0.203 53.878 54.000 -0.541 0.000 0.994 357 D CB 1.199 41.909 40.800 -0.149 0.000 1.377 357 D HN 0.723 nan 8.370 nan 0.000 0.586 358 A N 2.507 124.937 122.820 -0.650 0.000 1.915 358 A HA -0.255 4.065 4.320 0.000 0.000 0.220 358 A C 2.055 179.619 177.584 -0.032 0.000 1.198 358 A CA 2.873 54.744 52.037 -0.276 0.000 0.647 358 A CB -1.149 17.800 19.000 -0.086 0.000 0.825 358 A HN 0.703 nan 8.150 nan 0.000 0.456 359 T N -1.900 112.634 114.554 -0.032 0.000 2.929 359 T HA -0.110 4.240 4.350 0.000 0.000 0.271 359 T C 1.278 176.005 174.700 0.046 0.000 1.085 359 T CA 1.626 63.733 62.100 0.012 0.000 1.125 359 T CB -0.435 68.428 68.868 -0.009 0.000 0.874 359 T HN 0.598 nan 8.240 nan 0.000 0.494 360 K N 0.458 120.908 120.400 0.084 0.000 2.551 360 K HA 0.303 4.623 4.320 0.000 0.000 0.204 360 K C -0.902 175.647 176.600 -0.085 0.000 1.033 360 K CA -0.162 56.129 56.287 0.006 0.000 1.187 360 K CB -0.004 32.462 32.500 -0.056 0.000 0.900 360 K HN 0.359 nan 8.250 nan 0.000 0.499 361 F N 0.718 120.649 119.950 -0.031 0.000 2.578 361 F HA 0.359 4.886 4.527 0.000 0.000 0.311 361 F C -0.120 175.693 175.800 0.022 0.000 1.094 361 F CA -1.075 56.934 58.000 0.016 0.000 0.923 361 F CB 1.718 40.739 39.000 0.035 0.000 1.230 361 F HN -0.354 nan 8.300 nan 0.000 0.450 362 K N 1.887 122.415 120.400 0.213 0.000 2.206 362 K HA 0.466 4.786 4.320 0.000 0.000 0.264 362 K C -0.943 175.738 176.600 0.135 0.000 0.967 362 K CA -1.005 55.349 56.287 0.112 0.000 0.844 362 K CB 1.750 34.334 32.500 0.140 0.000 1.099 362 K HN 0.474 nan 8.250 nan 0.000 0.441 363 Q N 2.276 122.053 119.800 -0.039 0.000 2.314 363 Q HA 0.316 4.656 4.340 0.000 0.000 0.259 363 Q C -1.602 174.306 176.000 -0.154 0.000 0.951 363 Q CA -0.191 55.620 55.803 0.013 0.000 0.909 363 Q CB 0.762 29.512 28.738 0.019 0.000 1.236 363 Q HN 0.359 nan 8.270 nan 0.000 0.444 364 Y N -0.055 120.278 120.300 0.055 0.000 2.549 364 Y HA 0.668 5.218 4.550 0.000 0.000 0.339 364 Y C -0.051 175.855 175.900 0.009 0.000 1.053 364 Y CA -0.919 57.201 58.100 0.033 0.000 1.105 364 Y CB 2.438 40.913 38.460 0.025 0.000 1.258 364 Y HN 0.435 nan 8.280 nan 0.000 0.478 365 S N 2.416 118.194 115.700 0.130 0.000 2.605 365 S HA 0.698 5.168 4.470 0.000 0.000 0.308 365 S C -1.256 173.317 174.600 -0.045 0.000 1.113 365 S CA -0.744 57.461 58.200 0.008 0.000 1.049 365 S CB 0.257 63.408 63.200 -0.083 0.000 1.001 365 S HN 0.529 nan 8.310 nan 0.000 0.480 366 R N 2.849 123.338 120.500 -0.019 0.000 2.686 366 R HA 0.417 4.757 4.340 0.000 0.000 0.283 366 R C -1.060 175.268 176.300 0.047 0.000 0.978 366 R CA -0.634 55.460 56.100 -0.011 0.000 0.897 366 R CB 1.394 31.698 30.300 0.006 0.000 1.192 366 R HN 0.858 nan 8.270 nan 0.000 0.457 367 H N 1.046 120.068 119.070 -0.080 0.000 2.572 367 H HA 0.575 5.132 4.556 0.000 0.000 0.359 367 H C -0.962 174.358 175.328 -0.013 0.000 1.134 367 H CA -0.838 55.180 56.048 -0.050 0.000 1.187 367 H CB 1.903 31.628 29.762 -0.062 0.000 1.597 367 H HN 0.175 nan 8.280 nan 0.000 0.524 368 V N 3.301 123.019 119.914 -0.328 0.000 2.769 368 V HA 0.266 4.386 4.120 0.000 0.000 0.312 368 V C -0.487 175.328 176.094 -0.466 0.000 1.058 368 V CA -0.674 61.453 62.300 -0.287 0.000 0.952 368 V CB 1.817 33.578 31.823 -0.104 0.000 1.019 368 V HN 0.743 nan 8.190 nan 0.000 0.445 369 E N 1.734 121.823 120.200 -0.184 0.000 2.281 369 E HA 0.403 4.753 4.350 0.000 0.000 0.266 369 E C -1.175 175.472 176.600 0.079 0.000 0.893 369 E CA -0.325 56.041 56.400 -0.055 0.000 0.798 369 E CB 1.653 31.427 29.700 0.122 0.000 1.245 369 E HN 0.748 nan 8.360 nan 0.000 0.410 370 E N 4.066 124.227 120.200 -0.065 0.000 2.185 370 E HA 0.361 4.711 4.350 0.000 0.000 0.261 370 E C -1.215 175.249 176.600 -0.227 0.000 0.879 370 E CA -0.514 55.858 56.400 -0.046 0.000 0.756 370 E CB 0.714 30.369 29.700 -0.075 0.000 1.152 370 E HN 0.422 nan 8.360 nan 0.000 0.416 371 Y N 1.622 121.853 120.300 -0.116 0.000 2.686 371 Y HA 0.477 5.027 4.550 0.000 0.000 0.330 371 Y C -0.211 175.537 175.900 -0.253 0.000 1.082 371 Y CA -0.754 57.212 58.100 -0.223 0.000 1.158 371 Y CB 1.790 40.053 38.460 -0.328 0.000 1.333 371 Y HN 0.434 nan 8.280 nan 0.000 0.519 372 D N 1.065 121.388 120.400 -0.128 0.000 2.400 372 D HA 0.199 4.840 4.640 0.000 0.000 0.197 372 D C -2.058 174.079 176.300 -0.272 0.000 1.295 372 D CA -0.156 53.733 54.000 -0.185 0.000 0.878 372 D CB 0.749 41.472 40.800 -0.127 0.000 1.659 372 D HN 0.524 nan 8.370 nan 0.000 0.546 373 L N 2.282 123.295 121.223 -0.351 0.000 2.325 373 L HA 0.544 4.884 4.340 0.000 0.000 0.279 373 L C 0.170 176.749 176.870 -0.483 0.000 1.054 373 L CA -0.607 53.946 54.840 -0.479 0.000 0.804 373 L CB 1.734 43.536 42.059 -0.427 0.000 1.200 373 L HN 0.293 nan 8.230 nan 0.000 0.436 374 Q N 2.550 121.866 119.800 -0.807 0.000 2.315 374 Q HA 0.638 4.978 4.340 0.000 0.000 0.273 374 Q C -1.657 173.710 176.000 -1.054 0.000 1.053 374 Q CA -0.519 54.883 55.803 -0.668 0.000 0.817 374 Q CB 2.868 31.382 28.738 -0.373 0.000 1.326 374 Q HN 0.354 nan 8.270 nan 0.000 0.423 375 F N 0.910 120.462 119.950 -0.663 0.000 2.675 375 F HA 0.628 5.155 4.527 0.000 0.000 0.324 375 F C -0.511 174.749 175.800 -0.899 0.000 1.106 375 F CA -1.101 56.422 58.000 -0.795 0.000 0.970 375 F CB 1.399 39.743 39.000 -1.092 0.000 1.385 375 F HN 0.269 nan 8.300 nan 0.000 0.489 376 I N 2.127 122.309 120.570 -0.646 0.000 2.497 376 I HA 0.312 4.482 4.170 0.000 0.000 0.284 376 I C -1.200 174.586 176.117 -0.553 0.000 1.060 376 I CA -0.728 60.246 61.300 -0.545 0.000 1.071 376 I CB 1.122 38.811 38.000 -0.517 0.000 1.216 376 I HN 0.404 nan 8.210 nan 0.000 0.442 377 F N 3.983 123.802 119.950 -0.218 0.000 2.470 377 F HA 0.532 5.059 4.527 0.000 0.000 0.329 377 F C 0.597 176.462 175.800 0.108 0.000 1.072 377 F CA -0.584 57.340 58.000 -0.127 0.000 0.989 377 F CB 1.623 40.380 39.000 -0.405 0.000 1.193 377 F HN 0.381 nan 8.300 nan 0.000 0.481 378 Q N 2.419 122.443 119.800 0.374 0.000 2.353 378 Q HA 0.490 4.830 4.340 0.000 0.000 0.268 378 Q C -1.671 174.501 176.000 0.287 0.000 1.045 378 Q CA -1.160 54.738 55.803 0.159 0.000 0.811 378 Q CB 2.154 30.885 28.738 -0.012 0.000 1.305 378 Q HN 0.703 nan 8.270 nan 0.000 0.447 379 L N 3.687 125.026 121.223 0.194 0.000 2.331 379 L HA 0.384 4.724 4.340 0.000 0.000 0.278 379 L C -1.353 175.446 176.870 -0.118 0.000 1.106 379 L CA 0.301 55.154 54.840 0.021 0.000 0.824 379 L CB 0.669 42.714 42.059 -0.022 0.000 1.142 379 L HN 0.816 nan 8.230 nan 0.000 0.443 380 C N 2.127 121.313 119.300 -0.191 0.000 2.802 380 C HA 0.846 5.306 4.460 0.000 0.000 0.307 380 C C 0.087 174.955 174.990 -0.204 0.000 1.222 380 C CA -0.631 58.291 59.018 -0.160 0.000 1.580 380 C CB 1.817 29.487 27.740 -0.117 0.000 2.119 380 C HN 0.883 nan 8.230 nan 0.000 0.479 381 T N -0.840 113.635 114.554 -0.132 0.000 2.887 381 T HA 0.814 5.164 4.350 0.000 0.000 0.288 381 T C -1.011 173.674 174.700 -0.025 0.000 1.021 381 T CA -0.441 61.589 62.100 -0.117 0.000 1.000 381 T CB 0.926 69.753 68.868 -0.069 0.000 1.034 381 T HN 0.472 nan 8.240 nan 0.000 0.467 382 I N 2.466 123.022 120.570 -0.023 0.000 2.466 382 I HA 0.242 4.412 4.170 0.000 0.000 0.279 382 I C 0.179 176.316 176.117 0.034 0.000 1.033 382 I CA -0.574 60.773 61.300 0.079 0.000 1.123 382 I CB 1.788 39.904 38.000 0.194 0.000 1.237 382 I HN 0.713 nan 8.210 nan 0.000 0.460 383 T N 7.171 121.759 114.554 0.056 0.000 2.751 383 T HA 0.252 4.602 4.350 0.000 0.000 0.290 383 T C 0.427 175.152 174.700 0.042 0.000 0.919 383 T CA -0.131 61.989 62.100 0.033 0.000 1.136 383 T CB -0.012 68.876 68.868 0.034 0.000 0.875 383 T HN 0.292 nan 8.240 nan 0.000 0.532 384 L N 5.342 126.579 121.223 0.023 0.000 2.454 384 L HA 0.211 4.551 4.340 0.000 0.000 0.284 384 L C 1.449 178.337 176.870 0.030 0.000 1.139 384 L CA -0.438 54.427 54.840 0.042 0.000 0.911 384 L CB -0.504 41.581 42.059 0.042 0.000 1.262 384 L HN 0.756 nan 8.230 nan 0.000 0.453 385 T N -0.707 113.865 114.554 0.030 0.000 2.889 385 T HA 0.614 4.965 4.350 0.000 0.000 0.278 385 T C 1.199 175.910 174.700 0.019 0.000 0.995 385 T CA -0.067 62.045 62.100 0.019 0.000 0.966 385 T CB 1.695 70.573 68.868 0.016 0.000 1.237 385 T HN 0.367 nan 8.240 nan 0.000 0.591 386 A N 1.500 124.328 122.820 0.013 0.000 1.836 386 A HA -0.150 4.170 4.320 0.000 0.000 0.215 386 A C 1.919 179.512 177.584 0.014 0.000 1.214 386 A CA 2.509 54.554 52.037 0.012 0.000 0.636 386 A CB -1.766 17.240 19.000 0.010 0.000 0.847 386 A HN 1.024 nan 8.150 nan 0.000 0.451 387 D N -0.180 120.228 120.400 0.013 0.000 2.133 387 D HA -0.139 4.501 4.640 0.000 0.000 0.195 387 D C 1.581 177.891 176.300 0.017 0.000 0.997 387 D CA 1.494 55.505 54.000 0.019 0.000 0.840 387 D CB -1.077 39.732 40.800 0.014 0.000 0.947 387 D HN 0.190 nan 8.370 nan 0.000 0.452 388 V N 0.338 120.246 119.914 -0.011 0.000 2.250 388 V HA -0.341 3.780 4.120 0.000 0.000 0.250 388 V C 2.667 178.760 176.094 -0.002 0.000 1.060 388 V CA 2.209 64.478 62.300 -0.051 0.000 1.030 388 V CB -0.578 31.234 31.823 -0.019 0.000 0.643 388 V HN 0.237 nan 8.190 nan 0.000 0.445 389 M N 0.434 120.048 119.600 0.023 0.000 2.099 389 M HA -0.156 4.324 4.480 0.000 0.000 0.262 389 M C 2.450 178.747 176.300 -0.004 0.000 1.067 389 M CA 2.212 57.526 55.300 0.023 0.000 1.124 389 M CB -0.399 32.221 32.600 0.033 0.000 1.353 389 M HN 0.590 nan 8.290 nan 0.000 0.410 390 S N -0.586 115.119 115.700 0.007 0.000 2.419 390 S HA -0.216 4.255 4.470 0.000 0.000 0.235 390 S C 1.722 176.315 174.600 -0.011 0.000 1.019 390 S CA 1.148 59.344 58.200 -0.007 0.000 0.982 390 S CB -0.972 62.233 63.200 0.007 0.000 0.789 390 S HN 0.580 nan 8.310 nan 0.000 0.490 391 Y N 2.485 122.717 120.300 -0.114 0.000 2.109 391 Y HA 0.063 4.613 4.550 0.000 0.000 0.285 391 Y C 2.057 177.843 175.900 -0.190 0.000 1.131 391 Y CA 1.355 59.373 58.100 -0.137 0.000 1.121 391 Y CB -0.410 37.927 38.460 -0.205 0.000 0.987 391 Y HN 0.163 nan 8.280 nan 0.000 0.495 392 I N 0.467 120.997 120.570 -0.067 0.000 2.423 392 I HA -0.301 3.869 4.170 0.000 0.000 0.254 392 I C 2.287 178.213 176.117 -0.319 0.000 1.151 392 I CA 1.511 62.653 61.300 -0.264 0.000 1.421 392 I CB -0.489 37.378 38.000 -0.222 0.000 1.079 392 I HN 0.352 nan 8.210 nan 0.000 0.431 393 Q N 1.198 120.872 119.800 -0.211 0.000 2.050 393 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 393 Q C 2.287 178.162 176.000 -0.210 0.000 0.980 393 Q CA 2.343 58.036 55.803 -0.184 0.000 0.840 393 Q CB -0.098 28.573 28.738 -0.111 0.000 0.898 393 Q HN 0.409 nan 8.270 nan 0.000 0.424 394 S N -0.174 115.389 115.700 -0.229 0.000 2.387 394 S HA -0.109 4.361 4.470 0.000 0.000 0.226 394 S C 1.786 176.233 174.600 -0.256 0.000 1.026 394 S CA 1.210 59.288 58.200 -0.202 0.000 0.972 394 S CB -0.338 62.751 63.200 -0.184 0.000 0.814 394 S HN 0.519 nan 8.310 nan 0.000 0.477 395 M N 1.306 120.618 119.600 -0.480 0.000 2.059 395 M HA -0.045 4.435 4.480 0.000 0.000 0.259 395 M C 0.393 176.319 176.300 -0.625 0.000 1.072 395 M CA 1.564 56.371 55.300 -0.822 0.000 1.117 395 M CB 0.076 32.053 32.600 -1.039 0.000 1.320 395 M HN 0.267 nan 8.290 nan 0.000 0.408 396 N N -0.269 118.133 118.700 -0.497 0.000 2.969 396 N HA 0.050 4.790 4.740 0.000 0.000 0.230 396 N C 0.409 175.733 175.510 -0.311 0.000 1.397 396 N CA 0.328 53.163 53.050 -0.359 0.000 0.762 396 N CB 0.783 39.056 38.487 -0.357 0.000 1.495 396 N HN 0.338 nan 8.380 nan 0.000 0.583 397 S N 0.832 116.391 115.700 -0.236 0.000 2.399 397 S HA -0.312 4.158 4.470 0.000 0.000 0.235 397 S C 1.959 176.431 174.600 -0.213 0.000 1.063 397 S CA 2.090 60.168 58.200 -0.203 0.000 1.070 397 S CB -0.698 62.418 63.200 -0.141 0.000 0.904 397 S HN 0.654 nan 8.310 nan 0.000 0.456 398 S N 2.278 117.879 115.700 -0.165 0.000 2.440 398 S HA -0.037 4.433 4.470 0.000 0.000 0.238 398 S C 1.755 176.179 174.600 -0.293 0.000 1.010 398 S CA 1.271 59.399 58.200 -0.120 0.000 0.972 398 S CB -0.989 62.235 63.200 0.039 0.000 0.774 398 S HN 0.652 nan 8.310 nan 0.000 0.501 399 I N 1.126 121.411 120.570 -0.474 0.000 2.252 399 I HA -0.127 4.043 4.170 0.000 0.000 0.245 399 I C 2.438 177.933 176.117 -1.036 0.000 1.102 399 I CA 1.196 61.956 61.300 -0.899 0.000 1.385 399 I CB -0.412 37.014 38.000 -0.957 0.000 1.064 399 I HN 0.281 nan 8.210 nan 0.000 0.414 400 L N 0.318 121.147 121.223 -0.657 0.000 2.093 400 L HA -0.189 4.151 4.340 0.000 0.000 0.208 400 L C 2.516 179.261 176.870 -0.209 0.000 1.085 400 L CA 1.283 55.899 54.840 -0.373 0.000 0.755 400 L CB -0.486 41.469 42.059 -0.173 0.000 0.904 400 L HN 0.260 nan 8.230 nan 0.000 0.435 401 E N 0.218 120.290 120.200 -0.214 0.000 2.033 401 E HA -0.262 4.088 4.350 0.000 0.000 0.199 401 E C 1.754 178.301 176.600 -0.088 0.000 1.011 401 E CA 1.727 58.058 56.400 -0.115 0.000 0.815 401 E CB -0.041 29.597 29.700 -0.103 0.000 0.755 401 E HN 0.446 nan 8.360 nan 0.000 0.451 402 D N -0.262 120.036 120.400 -0.170 0.000 2.158 402 D HA -0.190 4.450 4.640 0.000 0.000 0.197 402 D C 1.390 177.738 176.300 0.080 0.000 0.995 402 D CA 0.817 54.763 54.000 -0.089 0.000 0.846 402 D CB -0.299 40.386 40.800 -0.191 0.000 0.941 402 D HN 0.380 nan 8.370 nan 0.000 0.456 403 W N 1.291 122.559 121.300 -0.054 0.000 2.937 403 W HA 0.095 4.755 4.660 0.000 0.000 0.245 403 W C 0.613 177.118 176.519 -0.023 0.000 1.306 403 W CA -0.209 57.116 57.345 -0.034 0.000 1.470 403 W CB -1.114 28.329 29.460 -0.028 0.000 1.132 403 W HN -0.071 nan 8.180 nan 0.000 0.675 439 K N 0.582 120.975 120.400 -0.012 0.000 2.207 439 K HA 0.445 4.765 4.320 0.000 0.000 0.255 439 K C -1.249 175.326 176.600 -0.042 0.000 0.941 439 K CA -0.547 55.728 56.287 -0.021 0.000 0.825 439 K CB 1.226 33.709 32.500 -0.029 0.000 1.119 439 K HN 0.571 nan 8.250 nan 0.000 0.430 440 D N 2.627 123.003 120.400 -0.039 0.000 2.217 440 D HA 0.294 4.934 4.640 0.000 0.000 0.243 440 D C -1.597 174.613 176.300 -0.149 0.000 1.054 440 D CA -2.123 51.825 54.000 -0.086 0.000 0.838 440 D CB 1.269 42.074 40.800 0.009 0.000 1.162 440 D HN 0.222 nan 8.370 nan 0.000 0.472 441 P HA -0.115 nan 4.420 nan 0.000 0.231 441 P C 0.012 177.148 177.300 -0.273 0.000 1.158 441 P CA 0.991 63.852 63.100 -0.399 0.000 0.763 441 P CB -0.077 31.252 31.700 -0.618 0.000 0.805 442 Y N -1.141 119.211 120.300 0.088 0.000 2.557 442 Y HA 0.193 4.743 4.550 0.000 0.000 0.247 442 Y C 1.467 177.452 175.900 0.141 0.000 1.164 442 Y CA -0.657 57.547 58.100 0.174 0.000 1.218 442 Y CB -0.014 38.677 38.460 0.384 0.000 1.210 442 Y HN -0.148 nan 8.280 nan 0.000 0.529 443 D N 0.676 121.186 120.400 0.183 0.000 2.392 443 D HA -0.085 4.555 4.640 0.000 0.000 0.228 443 D C 1.618 177.949 176.300 0.052 0.000 1.003 443 D CA 0.824 54.893 54.000 0.116 0.000 0.917 443 D CB 0.201 41.041 40.800 0.068 0.000 0.890 443 D HN 0.244 nan 8.370 nan 0.000 0.532 444 K N -0.225 120.199 120.400 0.041 0.000 2.284 444 K HA 0.139 4.459 4.320 0.000 0.000 0.198 444 K C 0.927 177.480 176.600 -0.077 0.000 1.048 444 K CA 0.100 56.380 56.287 -0.011 0.000 0.987 444 K CB 0.576 33.075 32.500 -0.002 0.000 0.800 444 K HN 0.197 nan 8.250 nan 0.000 0.486 445 L N 1.899 123.042 121.223 -0.133 0.000 2.399 445 L HA 0.208 4.548 4.340 0.000 0.000 0.266 445 L C 0.416 176.925 176.870 -0.601 0.000 1.114 445 L CA -0.729 53.881 54.840 -0.385 0.000 0.804 445 L CB 0.506 42.262 42.059 -0.506 0.000 1.146 445 L HN -0.262 nan 8.230 nan 0.000 0.451 446 K N 2.531 122.571 120.400 -0.601 0.000 2.258 446 K HA 0.557 4.877 4.320 0.000 0.000 0.284 446 K C -0.920 175.339 176.600 -0.568 0.000 1.051 446 K CA 0.135 56.161 56.287 -0.436 0.000 0.923 446 K CB 0.991 33.359 32.500 -0.219 0.000 1.046 446 K HN 0.346 nan 8.250 nan 0.000 0.474 447 F N 0.121 120.089 119.950 0.031 0.000 2.692 447 F HA 0.312 4.839 4.527 0.000 0.000 0.320 447 F C -0.347 175.510 175.800 0.095 0.000 1.123 447 F CA -1.225 56.806 58.000 0.053 0.000 0.961 447 F CB 1.592 40.627 39.000 0.059 0.000 1.383 447 F HN 0.385 nan 8.300 nan 0.000 0.483 448 W N 4.210 125.598 121.300 0.146 0.000 2.309 448 W HA 0.330 4.990 4.660 0.000 0.000 0.332 448 W C -0.952 175.650 176.519 0.140 0.000 0.962 448 W CA -1.195 56.203 57.345 0.088 0.000 1.497 448 W CB 0.172 29.628 29.460 -0.006 0.000 1.308 448 W HN 0.388 nan 8.180 nan 0.000 0.384 449 N N 3.867 122.833 118.700 0.443 0.000 2.440 449 N HA 0.052 4.792 4.740 0.000 0.000 0.265 449 N C -0.763 174.935 175.510 0.314 0.000 1.239 449 N CA 0.312 53.533 53.050 0.286 0.000 0.909 449 N CB 1.764 40.359 38.487 0.180 0.000 1.066 449 N HN 0.048 nan 8.380 nan 0.000 0.474 450 V N 2.440 122.453 119.914 0.166 0.000 2.349 450 V HA 0.082 4.202 4.120 0.000 0.000 0.284 450 V C 0.078 176.192 176.094 0.034 0.000 1.014 450 V CA -0.895 61.464 62.300 0.098 0.000 0.826 450 V CB 1.620 33.438 31.823 -0.008 0.000 1.009 450 V HN 0.541 nan 8.190 nan 0.000 0.431 451 D N 4.731 125.161 120.400 0.050 0.000 2.295 451 D HA 0.311 4.951 4.640 0.000 0.000 0.248 451 D C 0.364 176.678 176.300 0.024 0.000 1.154 451 D CA -0.105 53.908 54.000 0.022 0.000 0.857 451 D CB 1.705 42.526 40.800 0.035 0.000 1.117 451 D HN 0.477 nan 8.370 nan 0.000 0.468 452 L N 3.705 124.932 121.223 0.007 0.000 2.959 452 L HA 0.156 4.496 4.340 0.000 0.000 0.259 452 L C 1.990 178.901 176.870 0.068 0.000 1.185 452 L CA -0.241 54.638 54.840 0.065 0.000 0.998 452 L CB 0.300 42.415 42.059 0.093 0.000 1.337 452 L HN 0.202 nan 8.230 nan 0.000 0.555 453 K N 0.714 121.091 120.400 -0.039 0.000 2.218 453 K HA -0.127 4.193 4.320 0.000 0.000 0.205 453 K C 0.752 177.335 176.600 -0.029 0.000 1.046 453 K CA 1.004 57.215 56.287 -0.126 0.000 0.933 453 K CB 0.148 32.594 32.500 -0.090 0.000 0.728 453 K HN 0.231 nan 8.250 nan 0.000 0.454 454 E N 0.245 120.482 120.200 0.061 0.000 2.496 454 E HA 0.067 4.417 4.350 0.000 0.000 0.202 454 E C 0.270 176.967 176.600 0.161 0.000 1.021 454 E CA 0.143 56.611 56.400 0.114 0.000 1.015 454 E CB 0.726 30.483 29.700 0.096 0.000 1.102 454 E HN 0.185 nan 8.360 nan 0.000 0.452 455 K N -0.027 120.502 120.400 0.214 0.000 2.477 455 K HA 0.192 4.512 4.320 0.000 0.000 0.208 455 K C 0.179 176.928 176.600 0.248 0.000 1.117 455 K CA -0.311 56.098 56.287 0.204 0.000 1.039 455 K CB 0.683 33.261 32.500 0.130 0.000 0.937 455 K HN -0.051 nan 8.250 nan 0.000 0.570 456 F N 1.985 121.960 119.950 0.041 0.000 2.471 456 F HA 0.155 4.682 4.527 0.000 0.000 0.353 456 F C 0.979 176.951 175.800 0.287 0.000 1.113 456 F CA 0.055 58.127 58.000 0.121 0.000 1.262 456 F CB 0.993 39.992 39.000 -0.002 0.000 1.146 456 F HN -0.231 nan 8.300 nan 0.000 0.578 457 S N 3.254 119.188 115.700 0.391 0.000 2.546 457 S HA 0.512 4.982 4.470 0.000 0.000 0.274 457 S C 0.323 174.983 174.600 0.099 0.000 1.121 457 S CA -0.710 57.647 58.200 0.262 0.000 0.887 457 S CB 1.060 64.342 63.200 0.136 0.000 1.094 457 S HN 0.657 nan 8.310 nan 0.000 0.474 458 L N 1.582 122.783 121.223 -0.038 0.000 2.249 458 L HA 0.166 4.506 4.340 0.000 0.000 0.207 458 L C 0.001 176.835 176.870 -0.060 0.000 1.090 458 L CA 0.561 55.245 54.840 -0.260 0.000 0.802 458 L CB -0.071 41.843 42.059 -0.242 0.000 0.947 458 L HN 0.690 nan 8.230 nan 0.000 0.453 459 D N 0.312 120.741 120.400 0.048 0.000 2.422 459 D HA 0.101 4.741 4.640 0.000 0.000 0.227 459 D C 1.159 177.547 176.300 0.146 0.000 1.190 459 D CA -0.176 53.873 54.000 0.080 0.000 0.905 459 D CB 0.483 41.324 40.800 0.067 0.000 1.034 459 D HN 0.072 nan 8.370 nan 0.000 0.507 460 L N 0.590 121.891 121.223 0.131 0.000 2.083 460 L HA -0.160 4.180 4.340 0.000 0.000 0.209 460 L C 1.928 178.890 176.870 0.152 0.000 1.083 460 L CA 1.120 56.062 54.840 0.170 0.000 0.752 460 L CB -0.442 41.722 42.059 0.175 0.000 0.899 460 L HN 0.329 nan 8.230 nan 0.000 0.433 461 D N 0.184 120.636 120.400 0.088 0.000 2.220 461 D HA -0.226 4.414 4.640 0.000 0.000 0.198 461 D C 2.159 178.447 176.300 -0.021 0.000 1.001 461 D CA 1.261 55.281 54.000 0.033 0.000 0.875 461 D CB 0.050 40.857 40.800 0.012 0.000 0.921 461 D HN 0.275 nan 8.370 nan 0.000 0.454 462 Q N -1.065 118.700 119.800 -0.059 0.000 2.488 462 Q HA -0.055 4.285 4.340 0.000 0.000 0.211 462 Q C -0.147 175.491 176.000 -0.603 0.000 0.967 462 Q CA 0.558 56.172 55.803 -0.315 0.000 0.926 462 Q CB 0.078 28.562 28.738 -0.423 0.000 0.992 462 Q HN 0.464 nan 8.270 nan 0.000 0.506 463 Y N -0.290 119.904 120.300 -0.177 0.000 2.485 463 Y HA 0.218 4.768 4.550 0.000 0.000 0.345 463 Y C -1.485 174.364 175.900 -0.085 0.000 0.998 463 Y CA -2.587 55.373 58.100 -0.234 0.000 1.059 463 Y CB 1.214 39.251 38.460 -0.704 0.000 1.234 463 Y HN -0.178 nan 8.280 nan 0.000 0.461 464 P HA -0.260 nan 4.420 nan 0.000 0.211 464 P C 1.737 179.116 177.300 0.133 0.000 1.181 464 P CA 1.698 64.847 63.100 0.082 0.000 0.929 464 P CB 0.536 32.272 31.700 0.059 0.000 0.789 465 L N -0.671 120.657 121.223 0.175 0.000 2.127 465 L HA -0.126 4.214 4.340 0.000 0.000 0.211 465 L C 2.660 179.708 176.870 0.296 0.000 1.089 465 L CA 1.992 56.949 54.840 0.196 0.000 0.757 465 L CB -1.267 40.859 42.059 0.112 0.000 0.899 465 L HN 0.061 nan 8.230 nan 0.000 0.434 466 G N -0.338 108.647 108.800 0.307 0.000 2.459 466 G HA2 -0.296 3.664 3.960 0.000 0.000 0.217 466 G HA3 -0.296 3.664 3.960 0.000 0.000 0.217 466 G C 1.574 176.610 174.900 0.227 0.000 1.183 466 G CA 0.831 46.096 45.100 0.276 0.000 0.776 466 G HN 0.340 nan 8.290 nan 0.000 0.552 467 R N 0.460 121.050 120.500 0.152 0.000 2.070 467 R HA -0.007 4.333 4.340 0.000 0.000 0.232 467 R C 2.692 179.047 176.300 0.091 0.000 1.138 467 R CA 1.562 57.715 56.100 0.088 0.000 0.936 467 R CB -0.362 29.967 30.300 0.049 0.000 0.839 467 R HN 0.267 nan 8.270 nan 0.000 0.429 468 K N -0.075 120.415 120.400 0.149 0.000 2.089 468 K HA -0.238 4.083 4.320 0.000 0.000 0.210 468 K C 1.941 178.632 176.600 0.152 0.000 1.048 468 K CA 1.805 58.209 56.287 0.196 0.000 0.926 468 K CB -0.366 32.322 32.500 0.313 0.000 0.714 468 K HN 0.098 nan 8.250 nan 0.000 0.448 469 F N 1.742 121.713 119.950 0.036 0.000 2.075 469 F HA -0.171 4.356 4.527 0.000 0.000 0.297 469 F C 1.807 177.378 175.800 -0.382 0.000 1.113 469 F CA 1.360 59.155 58.000 -0.341 0.000 1.218 469 F CB -0.394 38.499 39.000 -0.178 0.000 0.984 469 F HN -0.114 nan 8.300 nan 0.000 0.472 470 L N -0.555 120.489 121.223 -0.299 0.000 2.081 470 L HA -0.263 4.077 4.340 0.000 0.000 0.212 470 L C 2.364 179.020 176.870 -0.358 0.000 1.080 470 L CA 1.183 55.811 54.840 -0.354 0.000 0.754 470 L CB -0.966 41.028 42.059 -0.108 0.000 0.893 470 L HN 0.073 nan 8.230 nan 0.000 0.433 471 V N -0.444 119.319 119.914 -0.252 0.000 2.237 471 V HA -0.319 3.801 4.120 0.000 0.000 0.245 471 V C 2.519 178.441 176.094 -0.287 0.000 1.046 471 V CA 2.068 64.248 62.300 -0.201 0.000 1.007 471 V CB -0.701 31.059 31.823 -0.104 0.000 0.638 471 V HN 0.564 nan 8.190 nan 0.000 0.445 472 Q N 0.426 119.993 119.800 -0.389 0.000 2.152 472 Q HA -0.251 4.089 4.340 0.000 0.000 0.206 472 Q C 2.109 177.776 176.000 -0.554 0.000 0.985 472 Q CA 2.418 57.929 55.803 -0.486 0.000 0.863 472 Q CB -0.283 27.977 28.738 -0.797 0.000 0.904 472 Q HN 0.619 nan 8.270 nan 0.000 0.422 473 A N -0.007 122.379 122.820 -0.724 0.000 2.066 473 A HA 0.292 4.612 4.320 0.000 0.000 0.218 473 A C 1.106 178.468 177.584 -0.370 0.000 1.157 473 A CA 1.459 53.119 52.037 -0.628 0.000 0.670 473 A CB -0.517 17.963 19.000 -0.867 0.000 0.804 473 A HN 0.682 nan 8.150 nan 0.000 0.453 474 G N 0.000 108.609 108.800 -0.318 0.000 5.446 474 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 474 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 474 G CA 0.000 44.979 45.100 -0.202 0.000 0.502 474 G HN 0.000 nan 8.290 nan 0.000 0.925