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_J 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 0.000 177.639 177.584 0.092 0.000 1.274 20 A CA 0.000 52.066 52.037 0.048 0.000 0.836 20 A CB 0.000 19.033 19.000 0.055 0.000 0.831 21 V N 1.947 121.876 119.914 0.025 0.000 2.732 21 V HA 0.561 4.681 4.120 0.000 0.000 0.297 21 V C 0.306 176.342 176.094 -0.097 0.000 1.060 21 V CA -0.239 62.076 62.300 0.026 0.000 1.038 21 V CB 1.429 33.167 31.823 -0.141 0.000 1.003 21 V HN 0.814 nan 8.190 nan 0.000 0.481 22 V N 2.610 122.555 119.914 0.052 0.000 2.823 22 V HA 0.395 4.515 4.120 0.000 0.000 0.312 22 V C 0.060 176.155 176.094 0.002 0.000 1.072 22 V CA -1.101 61.159 62.300 -0.067 0.000 0.937 22 V CB 2.051 33.865 31.823 -0.015 0.000 1.013 22 V HN 0.853 nan 8.190 nan 0.000 0.430 23 N N 2.084 120.792 118.700 0.014 0.000 2.452 23 N HA -0.021 4.719 4.740 0.000 0.000 0.266 23 N C 1.544 177.066 175.510 0.021 0.000 1.209 23 N CA 0.832 53.964 53.050 0.136 0.000 0.929 23 N CB 1.681 40.264 38.487 0.161 0.000 1.063 23 N HN 1.029 nan 8.380 nan 0.000 0.472 24 T N 0.332 114.870 114.554 -0.026 0.000 2.760 24 T HA -0.202 4.148 4.350 0.000 0.000 0.269 24 T C 0.859 175.309 174.700 -0.415 0.000 1.047 24 T CA 1.292 63.140 62.100 -0.419 0.000 1.139 24 T CB -0.047 68.718 68.868 -0.173 0.000 0.855 24 T HN 0.450 nan 8.240 nan 0.000 0.471 25 D N 1.451 121.757 120.400 -0.158 0.000 2.403 25 D HA -0.036 4.604 4.640 0.000 0.000 0.227 25 D C 1.058 177.311 176.300 -0.078 0.000 0.995 25 D CA 0.763 54.703 54.000 -0.101 0.000 0.928 25 D CB -0.210 40.574 40.800 -0.027 0.000 0.887 25 D HN 0.515 nan 8.370 nan 0.000 0.529 26 D N -1.045 119.304 120.400 -0.085 0.000 2.366 26 D HA -0.024 4.616 4.640 0.000 0.000 0.205 26 D C 1.068 177.419 176.300 0.085 0.000 1.022 26 D CA 0.344 54.353 54.000 0.015 0.000 0.868 26 D CB 0.205 41.041 40.800 0.061 0.000 0.953 26 D HN 0.477 nan 8.370 nan 0.000 0.514 27 Y N -2.399 117.906 120.300 0.008 0.000 2.728 27 Y HA 0.494 5.044 4.550 0.000 0.000 0.256 27 Y C -0.434 175.505 175.900 0.066 0.000 1.112 27 Y CA -0.549 57.562 58.100 0.019 0.000 1.240 27 Y CB 0.289 38.738 38.460 -0.019 0.000 1.337 27 Y HN -0.314 nan 8.280 nan 0.000 0.559 28 V N 2.306 122.150 119.914 -0.115 0.000 2.327 28 V HA 0.271 4.391 4.120 0.000 0.000 0.272 28 V C -0.155 175.904 176.094 -0.059 0.000 1.019 28 V CA -0.570 61.688 62.300 -0.069 0.000 0.814 28 V CB 0.932 32.644 31.823 -0.184 0.000 1.040 28 V HN 0.374 nan 8.190 nan 0.000 0.440 29 T N 5.155 119.699 114.554 -0.018 0.000 2.834 29 T HA 0.373 4.723 4.350 0.000 0.000 0.298 29 T C 0.332 175.008 174.700 -0.041 0.000 0.966 29 T CA -0.178 61.910 62.100 -0.021 0.000 1.141 29 T CB 0.504 69.370 68.868 -0.003 0.000 0.905 29 T HN 0.497 nan 8.240 nan 0.000 0.535 30 R N 1.617 122.096 120.500 -0.036 0.000 2.457 30 R HA 0.536 4.876 4.340 0.000 0.000 0.284 30 R C 1.159 177.427 176.300 -0.052 0.000 1.024 30 R CA -0.698 55.372 56.100 -0.050 0.000 1.025 30 R CB 0.923 31.208 30.300 -0.025 0.000 1.063 30 R HN 0.802 nan 8.270 nan 0.000 0.493 31 T N -2.305 112.192 114.554 -0.095 0.000 2.898 31 T HA 0.199 4.549 4.350 0.000 0.000 0.283 31 T C 0.891 175.511 174.700 -0.134 0.000 1.059 31 T CA -0.446 61.601 62.100 -0.088 0.000 0.958 31 T CB 0.971 69.784 68.868 -0.091 0.000 1.594 31 T HN 0.527 nan 8.240 nan 0.000 0.598 32 S N -1.079 114.560 115.700 -0.103 0.000 2.749 32 S HA 0.358 4.828 4.470 0.000 0.000 0.246 32 S C -0.286 174.253 174.600 -0.103 0.000 1.023 32 S CA -0.608 57.557 58.200 -0.058 0.000 1.012 32 S CB -0.610 62.645 63.200 0.091 0.000 0.942 32 S HN 0.477 nan 8.310 nan 0.000 0.531 33 I N 2.834 123.280 120.570 -0.207 0.000 2.304 33 I HA 0.480 4.650 4.170 0.000 0.000 0.291 33 I C -0.815 175.234 176.117 -0.113 0.000 1.018 33 I CA -0.572 60.719 61.300 -0.014 0.000 1.260 33 I CB 0.002 38.094 38.000 0.153 0.000 1.390 33 I HN 0.169 nan 8.210 nan 0.000 0.475 34 F N 5.851 125.951 119.950 0.249 0.000 2.508 34 F HA 0.595 5.122 4.527 0.000 0.000 0.325 34 F C -0.346 175.584 175.800 0.215 0.000 1.090 34 F CA -0.649 57.490 58.000 0.232 0.000 0.945 34 F CB 1.313 40.350 39.000 0.061 0.000 1.156 34 F HN 0.203 nan 8.300 nan 0.000 0.463 35 Y N 0.547 120.968 120.300 0.202 0.000 2.598 35 Y HA 0.434 4.984 4.550 0.000 0.000 0.340 35 Y C -0.400 175.426 175.900 -0.123 0.000 1.038 35 Y CA -1.066 57.080 58.100 0.077 0.000 1.100 35 Y CB 1.563 40.084 38.460 0.101 0.000 1.281 35 Y HN 0.491 nan 8.280 nan 0.000 0.488 36 H N 1.003 119.969 119.070 -0.172 0.000 2.600 36 H HA 0.849 5.405 4.556 0.000 0.000 0.357 36 H C -1.894 173.111 175.328 -0.538 0.000 1.106 36 H CA -0.808 55.014 56.048 -0.378 0.000 1.193 36 H CB 1.578 31.093 29.762 -0.413 0.000 1.594 36 H HN 0.813 nan 8.280 nan 0.000 0.526 37 A N 2.993 125.343 122.820 -0.783 0.000 2.449 37 A HA 0.725 5.045 4.320 0.000 0.000 0.302 37 A C -0.768 176.576 177.584 -0.400 0.000 1.048 37 A CA -0.141 51.591 52.037 -0.507 0.000 0.708 37 A CB 1.810 20.363 19.000 -0.745 0.000 1.274 37 A HN 0.887 nan 8.150 nan 0.000 0.410 38 G N 0.361 109.094 108.800 -0.111 0.000 2.733 38 G HA2 0.621 4.581 3.960 0.000 0.000 0.297 38 G HA3 0.621 4.581 3.960 0.000 0.000 0.297 38 G C -0.198 174.711 174.900 0.016 0.000 1.422 38 G CA 0.228 45.302 45.100 -0.044 0.000 0.942 38 G HN 1.549 nan 8.290 nan 0.000 0.510 39 S N 0.309 116.000 115.700 -0.014 0.000 2.608 39 S HA 0.538 5.009 4.470 0.000 0.000 0.261 39 S C 1.600 176.198 174.600 -0.005 0.000 1.314 39 S CA 0.488 58.675 58.200 -0.023 0.000 0.992 39 S CB 1.223 64.356 63.200 -0.112 0.000 0.935 39 S HN 1.439 nan 8.310 nan 0.000 0.564 40 S N 0.932 116.641 115.700 0.014 0.000 2.269 40 S HA 0.121 4.591 4.470 0.000 0.000 0.167 40 S C 0.613 175.217 174.600 0.007 0.000 1.319 40 S CA -0.072 58.147 58.200 0.032 0.000 2.086 40 S CB -0.478 62.753 63.200 0.052 0.000 0.582 40 S HN 0.940 nan 8.310 nan 0.000 0.360 41 R N 0.468 120.981 120.500 0.022 0.000 2.521 41 R HA 0.434 4.775 4.340 0.000 0.000 0.295 41 R C -1.624 174.709 176.300 0.055 0.000 1.183 41 R CA -0.423 55.685 56.100 0.015 0.000 0.957 41 R CB 0.345 30.658 30.300 0.023 0.000 1.171 41 R HN 0.526 nan 8.270 nan 0.000 0.494 42 L N 4.999 126.236 121.223 0.024 0.000 2.410 42 L HA 0.310 4.650 4.340 0.000 0.000 0.273 42 L C -0.347 176.670 176.870 0.246 0.000 1.144 42 L CA -0.241 54.675 54.840 0.126 0.000 0.863 42 L CB 0.626 42.548 42.059 -0.228 0.000 1.140 42 L HN 0.465 nan 8.230 nan 0.000 0.463 43 L N 3.214 124.664 121.223 0.379 0.000 2.424 43 L HA 0.780 5.120 4.340 0.000 0.000 0.258 43 L C -0.651 176.403 176.870 0.308 0.000 0.995 43 L CA 0.044 55.061 54.840 0.295 0.000 0.821 43 L CB 2.650 44.800 42.059 0.152 0.000 1.383 43 L HN 0.561 nan 8.230 nan 0.000 0.410 44 T N 2.768 117.445 114.554 0.206 0.000 3.933 44 T HA 0.545 4.895 4.350 0.000 0.000 0.379 44 T C -1.700 173.014 174.700 0.023 0.000 1.232 44 T CA -0.009 62.149 62.100 0.097 0.000 1.122 44 T CB 0.474 69.383 68.868 0.069 0.000 1.239 44 T HN 1.071 nan 8.240 nan 0.000 0.475 45 V N 2.538 122.444 119.914 -0.013 0.000 2.667 45 V HA 1.121 5.241 4.120 0.000 0.000 0.308 45 V C 0.351 176.422 176.094 -0.038 0.000 1.048 45 V CA 0.272 62.548 62.300 -0.040 0.000 0.928 45 V CB 1.269 33.075 31.823 -0.029 0.000 1.004 45 V HN 1.332 nan 8.190 nan 0.000 0.444 46 G N 1.727 110.504 108.800 -0.038 0.000 2.561 46 G HA2 0.325 4.285 3.960 0.000 0.000 0.310 46 G HA3 0.325 4.285 3.960 0.000 0.000 0.310 46 G C -1.812 173.051 174.900 -0.061 0.000 1.292 46 G CA -0.397 44.678 45.100 -0.040 0.000 0.811 46 G HN 0.888 nan 8.290 nan 0.000 0.482 47 D N 0.484 120.819 120.400 -0.107 0.000 2.304 47 D HA 0.292 4.932 4.640 0.000 0.000 0.250 47 D C -1.321 174.829 176.300 -0.249 0.000 1.107 47 D CA -1.567 52.292 54.000 -0.234 0.000 0.885 47 D CB 2.358 42.947 40.800 -0.352 0.000 1.192 47 D HN 0.051 nan 8.370 nan 0.000 0.436 48 P HA -0.028 nan 4.420 nan 0.000 0.245 48 P C 0.542 177.713 177.300 -0.215 0.000 1.206 48 P CA 0.666 63.576 63.100 -0.317 0.000 0.781 48 P CB 0.126 31.540 31.700 -0.476 0.000 0.994 49 Y N -0.353 119.810 120.300 -0.228 0.000 2.581 49 Y HA 0.264 4.815 4.550 0.000 0.000 0.271 49 Y C 0.831 176.715 175.900 -0.027 0.000 1.100 49 Y CA -0.723 57.289 58.100 -0.146 0.000 1.281 49 Y CB 0.458 38.829 38.460 -0.149 0.000 1.237 49 Y HN -0.178 nan 8.280 nan 0.000 0.514 50 F N -0.934 119.118 119.950 0.171 0.000 2.746 50 F HA 0.415 4.942 4.527 0.000 0.000 0.311 50 F C -0.878 174.966 175.800 0.073 0.000 1.135 50 F CA -2.152 55.912 58.000 0.107 0.000 0.954 50 F CB 0.616 39.671 39.000 0.092 0.000 1.276 50 F HN -0.190 nan 8.300 nan 0.000 0.440 51 R N 1.456 122.117 120.500 0.268 0.000 2.491 51 R HA 0.672 5.012 4.340 0.000 0.000 0.283 51 R C -1.613 174.851 176.300 0.273 0.000 1.072 51 R CA -0.527 55.677 56.100 0.173 0.000 1.048 51 R CB 1.206 31.571 30.300 0.109 0.000 0.983 51 R HN 0.598 nan 8.270 nan 0.000 0.450 52 V N 5.901 125.929 119.914 0.190 0.000 2.348 52 V HA 0.255 4.376 4.120 0.000 0.000 0.270 52 V C -1.962 174.206 176.094 0.124 0.000 1.037 52 V CA -2.188 60.237 62.300 0.209 0.000 0.872 52 V CB 0.997 32.931 31.823 0.184 0.000 1.002 52 V HN 0.855 nan 8.190 nan 0.000 0.464 53 P HA 0.037 nan 4.420 nan 0.000 0.256 53 P C 0.283 177.617 177.300 0.056 0.000 1.173 53 P CA 0.458 63.598 63.100 0.066 0.000 0.768 53 P CB 0.312 32.043 31.700 0.052 0.000 0.758 54 A N 4.481 127.326 122.820 0.042 0.000 2.583 54 A HA 0.320 4.640 4.320 0.000 0.000 0.231 54 A C 1.866 179.468 177.584 0.030 0.000 1.065 54 A CA 0.753 52.809 52.037 0.032 0.000 0.760 54 A CB -1.096 17.916 19.000 0.020 0.000 1.001 54 A HN 0.884 nan 8.150 nan 0.000 0.509 55 G N 0.783 109.600 108.800 0.027 0.000 2.238 55 G HA2 -0.243 3.717 3.960 0.000 0.000 0.270 55 G HA3 -0.243 3.717 3.960 0.000 0.000 0.270 55 G C 1.544 176.463 174.900 0.031 0.000 0.977 55 G CA 1.520 46.635 45.100 0.025 0.000 0.639 55 G HN 2.061 nan 8.290 nan 0.000 0.544 56 G N -0.166 108.657 108.800 0.040 0.000 2.462 56 G HA2 0.243 4.203 3.960 0.000 0.000 0.220 56 G HA3 0.243 4.203 3.960 0.000 0.000 0.220 56 G C 1.418 176.346 174.900 0.047 0.000 1.121 56 G CA 1.964 47.090 45.100 0.042 0.000 0.758 56 G HN 1.664 nan 8.290 nan 0.000 0.559 57 G N -0.767 108.066 108.800 0.055 0.000 2.578 57 G HA2 0.250 4.210 3.960 0.000 0.000 0.184 57 G HA3 0.250 4.210 3.960 0.000 0.000 0.184 57 G C 0.058 174.982 174.900 0.041 0.000 1.289 57 G CA 0.505 45.640 45.100 0.059 0.000 0.847 57 G HN 0.639 nan 8.290 nan 0.000 0.880 58 N N 0.010 118.731 118.700 0.034 0.000 2.745 58 N HA 0.147 4.888 4.740 0.000 0.000 0.256 58 N C -1.162 174.356 175.510 0.013 0.000 1.268 58 N CA -0.719 52.340 53.050 0.015 0.000 0.887 58 N CB 1.647 40.133 38.487 -0.000 0.000 1.575 58 N HN 0.026 nan 8.380 nan 0.000 0.496 59 K N 1.132 121.535 120.400 0.005 0.000 2.511 59 K HA -0.084 4.236 4.320 0.000 0.000 0.280 59 K C -0.402 176.199 176.600 0.003 0.000 1.008 59 K CA 0.543 56.833 56.287 0.004 0.000 1.050 59 K CB 0.146 32.645 32.500 -0.000 0.000 0.889 59 K HN 0.725 nan 8.250 nan 0.000 0.484 60 Q N 1.853 121.656 119.800 0.005 0.000 3.117 60 Q HA -0.159 4.182 4.340 0.000 0.000 0.025 60 Q C -1.618 174.387 176.000 0.008 0.000 1.677 60 Q CA 1.282 57.087 55.803 0.003 0.000 0.231 60 Q CB -0.237 28.498 28.738 -0.004 0.000 1.698 60 Q HN 0.842 nan 8.270 nan 0.000 0.319 61 D N 1.802 122.206 120.400 0.006 0.000 2.313 61 D HA 0.357 4.997 4.640 0.000 0.000 0.247 61 D C 0.202 176.507 176.300 0.008 0.000 1.094 61 D CA -0.099 53.910 54.000 0.015 0.000 0.925 61 D CB 0.505 41.311 40.800 0.011 0.000 1.188 61 D HN 0.363 nan 8.370 nan 0.000 0.430 62 I N 2.687 123.270 120.570 0.021 0.000 2.388 62 I HA 0.229 4.399 4.170 0.000 0.000 0.281 62 I C -2.317 173.802 176.117 0.003 0.000 1.046 62 I CA -2.480 58.824 61.300 0.007 0.000 1.187 62 I CB 0.367 38.377 38.000 0.017 0.000 1.351 62 I HN -0.142 nan 8.210 nan 0.000 0.472 63 P HA -0.029 nan 4.420 nan 0.000 0.266 63 P C 0.013 177.304 177.300 -0.015 0.000 1.193 63 P CA -0.014 63.074 63.100 -0.019 0.000 0.770 63 P CB 0.657 32.326 31.700 -0.051 0.000 0.836 64 K N 3.008 123.411 120.400 0.006 0.000 2.338 64 K HA 0.250 4.570 4.320 0.000 0.000 0.290 64 K C -1.242 175.374 176.600 0.027 0.000 1.069 64 K CA -0.232 56.064 56.287 0.015 0.000 0.941 64 K CB -0.018 32.520 32.500 0.063 0.000 1.023 64 K HN 0.164 nan 8.250 nan 0.000 0.477 65 V N 3.684 123.615 119.914 0.028 0.000 2.349 65 V HA 0.221 4.341 4.120 0.000 0.000 0.284 65 V C -0.364 175.836 176.094 0.177 0.000 1.014 65 V CA -0.691 61.652 62.300 0.072 0.000 0.826 65 V CB 1.170 33.004 31.823 0.019 0.000 1.009 65 V HN 0.800 nan 8.190 nan 0.000 0.431 66 S N 3.217 119.050 115.700 0.223 0.000 2.648 66 S HA 0.788 5.258 4.470 0.000 0.000 0.305 66 S C 1.080 175.857 174.600 0.295 0.000 1.094 66 S CA 0.246 58.627 58.200 0.301 0.000 0.983 66 S CB 2.169 65.539 63.200 0.282 0.000 1.101 66 S HN 0.866 nan 8.310 nan 0.000 0.514 67 A N 1.491 124.413 122.820 0.171 0.000 2.072 67 A HA 0.232 4.552 4.320 0.000 0.000 0.216 67 A C 0.302 177.747 177.584 -0.232 0.000 1.156 67 A CA 0.615 52.636 52.037 -0.028 0.000 0.701 67 A CB -0.481 18.331 19.000 -0.315 0.000 0.816 67 A HN 0.802 nan 8.150 nan 0.000 0.458 68 Y N 1.363 121.755 120.300 0.154 0.000 2.933 68 Y HA 0.327 4.877 4.550 0.000 0.000 0.380 68 Y C 0.403 176.335 175.900 0.054 0.000 1.056 68 Y CA -0.278 57.877 58.100 0.091 0.000 1.704 68 Y CB -0.297 38.221 38.460 0.096 0.000 1.558 68 Y HN 0.526 nan 8.280 nan 0.000 0.501 69 Q N -1.867 118.005 119.800 0.120 0.000 2.345 69 Q HA 0.399 4.739 4.340 0.000 0.000 0.275 69 Q C -1.491 174.557 176.000 0.080 0.000 1.063 69 Q CA -1.274 54.605 55.803 0.126 0.000 0.819 69 Q CB 1.359 30.199 28.738 0.170 0.000 1.356 69 Q HN 0.197 nan 8.270 nan 0.000 0.418 70 Y N 0.901 121.252 120.300 0.085 0.000 2.578 70 Y HA 0.126 4.676 4.550 0.000 0.000 0.339 70 Y C 0.489 176.385 175.900 -0.006 0.000 1.231 70 Y CA 0.105 58.234 58.100 0.050 0.000 1.461 70 Y CB 0.654 39.135 38.460 0.034 0.000 1.323 70 Y HN 0.319 nan 8.280 nan 0.000 0.590 71 R N 2.130 122.670 120.500 0.067 0.000 2.388 71 R HA 0.437 4.777 4.340 0.000 0.000 0.314 71 R C -1.746 174.337 176.300 -0.362 0.000 0.959 71 R CA -0.706 55.246 56.100 -0.246 0.000 0.851 71 R CB 1.301 31.320 30.300 -0.469 0.000 1.168 71 R HN 0.410 nan 8.270 nan 0.000 0.472 72 V N 5.358 125.098 119.914 -0.290 0.000 2.357 72 V HA 0.443 4.563 4.120 0.000 0.000 0.284 72 V C -0.347 175.589 176.094 -0.263 0.000 1.018 72 V CA -0.668 61.544 62.300 -0.146 0.000 0.841 72 V CB 0.910 32.829 31.823 0.159 0.000 0.991 72 V HN 0.453 nan 8.190 nan 0.000 0.437 73 F N 3.420 123.357 119.950 -0.023 0.000 2.421 73 F HA 0.587 5.115 4.527 0.000 0.000 0.337 73 F C 0.685 176.332 175.800 -0.255 0.000 1.105 73 F CA -0.638 57.298 58.000 -0.105 0.000 1.049 73 F CB 1.352 40.221 39.000 -0.219 0.000 1.139 73 F HN 0.311 nan 8.300 nan 0.000 0.479 74 R N 3.214 123.629 120.500 -0.142 0.000 2.346 74 R HA 0.468 4.808 4.340 0.000 0.000 0.309 74 R C -1.553 174.547 176.300 -0.333 0.000 1.119 74 R CA -0.388 55.361 56.100 -0.585 0.000 1.112 74 R CB 0.564 30.490 30.300 -0.625 0.000 1.132 74 R HN 0.584 nan 8.270 nan 0.000 0.538 75 V N 4.222 123.942 119.914 -0.323 0.000 2.479 75 V HA 0.014 4.134 4.120 0.000 0.000 0.281 75 V C 0.251 176.200 176.094 -0.241 0.000 1.031 75 V CA 0.040 62.199 62.300 -0.234 0.000 1.038 75 V CB 1.156 32.800 31.823 -0.298 0.000 0.981 75 V HN 0.633 nan 8.190 nan 0.000 0.478 76 Q N 5.083 124.786 119.800 -0.161 0.000 2.368 76 Q HA 0.517 4.858 4.340 0.000 0.000 0.256 76 Q C -0.805 175.101 176.000 -0.156 0.000 0.980 76 Q CA -0.029 55.695 55.803 -0.132 0.000 0.887 76 Q CB 0.994 29.690 28.738 -0.071 0.000 1.221 76 Q HN 0.700 nan 8.270 nan 0.000 0.458 77 L N 5.277 126.374 121.223 -0.210 0.000 2.416 77 L HA 0.661 5.001 4.340 0.000 0.000 0.262 77 L C -1.885 174.793 176.870 -0.320 0.000 1.093 77 L CA -2.228 52.404 54.840 -0.347 0.000 0.801 77 L CB 0.894 42.659 42.059 -0.491 0.000 1.191 77 L HN 0.566 nan 8.230 nan 0.000 0.459 78 P HA 0.036 nan 4.420 nan 0.000 0.284 78 P C -1.168 175.969 177.300 -0.272 0.000 1.253 78 P CA -0.426 62.405 63.100 -0.448 0.000 0.800 78 P CB 1.032 32.241 31.700 -0.819 0.000 0.961 79 D N 4.431 124.725 120.400 -0.176 0.000 2.389 79 D HA -0.004 4.637 4.640 0.000 0.000 0.263 79 D C -0.964 175.196 176.300 -0.234 0.000 1.255 79 D CA -1.720 52.196 54.000 -0.140 0.000 0.914 79 D CB 0.698 41.471 40.800 -0.045 0.000 1.116 79 D HN 0.230 nan 8.370 nan 0.000 0.502 80 P HA -0.163 nan 4.420 nan 0.000 0.219 80 P C 0.785 177.885 177.300 -0.333 0.000 1.146 80 P CA 0.833 63.529 63.100 -0.674 0.000 0.808 80 P CB 0.565 31.474 31.700 -1.318 0.000 0.779 81 N N 1.057 119.611 118.700 -0.244 0.000 2.092 81 N HA -0.064 4.676 4.740 0.000 0.000 0.189 81 N C 1.291 176.797 175.510 -0.006 0.000 1.040 81 N CA 1.098 54.071 53.050 -0.128 0.000 0.845 81 N CB -0.436 37.987 38.487 -0.107 0.000 1.017 81 N HN 0.309 nan 8.380 nan 0.000 0.426 82 K N 0.219 120.629 120.400 0.017 0.000 2.665 82 K HA 0.074 4.394 4.320 0.000 0.000 0.214 82 K C -0.445 176.232 176.600 0.128 0.000 1.032 82 K CA -0.130 56.191 56.287 0.056 0.000 1.198 82 K CB -0.248 32.281 32.500 0.047 0.000 0.941 82 K HN 0.037 nan 8.250 nan 0.000 0.491 83 F N 0.726 120.624 119.950 -0.087 0.000 2.469 83 F HA 0.427 4.954 4.527 0.000 0.000 0.332 83 F C 0.480 176.258 175.800 -0.038 0.000 1.103 83 F CA -1.396 56.559 58.000 -0.075 0.000 0.979 83 F CB 1.237 40.156 39.000 -0.135 0.000 1.137 83 F HN -0.006 nan 8.300 nan 0.000 0.463 84 G N 6.750 115.235 108.800 -0.524 0.000 2.334 84 G HA2 0.393 4.353 3.960 0.000 0.000 0.261 84 G HA3 0.393 4.353 3.960 0.000 0.000 0.261 84 G C -0.651 173.927 174.900 -0.537 0.000 1.257 84 G CA -0.443 44.397 45.100 -0.434 0.000 0.935 84 G HN 0.695 nan 8.290 nan 0.000 0.480 85 L N 3.949 125.052 121.223 -0.200 0.000 2.387 85 L HA 0.356 4.696 4.340 0.000 0.000 0.266 85 L C -0.728 176.140 176.870 -0.002 0.000 1.059 85 L CA -1.932 52.875 54.840 -0.056 0.000 0.801 85 L CB 2.017 44.084 42.059 0.014 0.000 1.223 85 L HN 0.401 nan 8.230 nan 0.000 0.456 86 P HA -0.057 nan 4.420 nan 0.000 0.234 86 P C -0.603 176.721 177.300 0.040 0.000 1.167 86 P CA 0.947 64.082 63.100 0.058 0.000 0.763 86 P CB 0.115 31.865 31.700 0.083 0.000 0.835 87 D N -2.172 118.254 120.400 0.043 0.000 2.625 87 D HA 0.065 4.705 4.640 0.000 0.000 0.203 87 D C -0.749 175.583 176.300 0.054 0.000 1.230 87 D CA -0.319 53.704 54.000 0.039 0.000 0.784 87 D CB 0.025 40.850 40.800 0.042 0.000 1.936 87 D HN -0.379 nan 8.370 nan 0.000 0.522 88 T N 1.725 116.311 114.554 0.053 0.000 3.284 88 T HA 0.260 4.610 4.350 0.000 0.000 0.249 88 T C 0.780 175.538 174.700 0.097 0.000 0.944 88 T CA 0.312 62.473 62.100 0.101 0.000 0.919 88 T CB -0.196 68.716 68.868 0.074 0.000 1.089 88 T HN 0.390 nan 8.240 nan 0.000 0.576 89 S N -0.017 115.733 115.700 0.083 0.000 2.843 89 S HA 0.264 4.734 4.470 0.000 0.000 0.249 89 S C 1.155 175.806 174.600 0.085 0.000 1.047 89 S CA -0.511 57.721 58.200 0.053 0.000 1.042 89 S CB -0.235 62.977 63.200 0.020 0.000 0.936 89 S HN 0.266 nan 8.310 nan 0.000 0.531 90 I N 1.357 122.020 120.570 0.156 0.000 3.226 90 I HA 0.254 4.424 4.170 0.000 0.000 0.277 90 I C 0.794 177.031 176.117 0.200 0.000 1.243 90 I CA 0.385 61.758 61.300 0.122 0.000 1.459 90 I CB -1.308 36.721 38.000 0.048 0.000 1.093 90 I HN 0.713 nan 8.210 nan 0.000 0.453 91 Y N -0.640 119.625 120.300 -0.058 0.000 2.853 91 Y HA 0.516 5.066 4.550 0.000 0.000 0.326 91 Y C -0.911 174.950 175.900 -0.066 0.000 1.384 91 Y CA -1.630 56.428 58.100 -0.069 0.000 1.077 91 Y CB 1.007 39.407 38.460 -0.100 0.000 1.395 91 Y HN -0.094 nan 8.280 nan 0.000 0.451 92 N N 2.622 121.095 118.700 -0.379 0.000 2.569 92 N HA 0.385 5.125 4.740 0.000 0.000 0.254 92 N C -2.306 172.819 175.510 -0.641 0.000 1.004 92 N CA -2.827 49.938 53.050 -0.474 0.000 0.904 92 N CB 1.699 40.060 38.487 -0.209 0.000 1.165 92 N HN 0.404 nan 8.380 nan 0.000 0.513 93 P HA -0.154 nan 4.420 nan 0.000 0.231 93 P C 0.156 177.297 177.300 -0.264 0.000 1.154 93 P CA 1.049 63.794 63.100 -0.591 0.000 0.762 93 P CB 0.543 31.968 31.700 -0.458 0.000 0.790 94 E N -0.480 119.583 120.200 -0.230 0.000 2.127 94 E HA -0.022 4.328 4.350 0.000 0.000 0.191 94 E C 1.885 178.427 176.600 -0.098 0.000 0.964 94 E CA 1.697 58.017 56.400 -0.133 0.000 0.832 94 E CB -0.593 29.039 29.700 -0.113 0.000 0.790 94 E HN 0.403 nan 8.360 nan 0.000 0.465 95 T N -1.654 112.838 114.554 -0.103 0.000 3.023 95 T HA 0.118 4.468 4.350 0.000 0.000 0.253 95 T C 0.819 175.488 174.700 -0.052 0.000 1.038 95 T CA -0.293 61.770 62.100 -0.062 0.000 0.962 95 T CB 0.330 69.170 68.868 -0.047 0.000 1.018 95 T HN 0.081 nan 8.240 nan 0.000 0.521 96 Q N -0.286 119.475 119.800 -0.063 0.000 2.553 96 Q HA 0.715 5.055 4.340 0.000 0.000 0.293 96 Q C -1.372 174.595 176.000 -0.056 0.000 1.038 96 Q CA -1.405 54.376 55.803 -0.036 0.000 0.777 96 Q CB 1.704 30.467 28.738 0.042 0.000 1.487 96 Q HN -0.073 nan 8.270 nan 0.000 0.426 97 R N 0.178 120.543 120.500 -0.226 0.000 2.867 97 R HA 0.655 4.996 4.340 0.000 0.000 0.268 97 R C -0.906 175.114 176.300 -0.467 0.000 1.014 97 R CA -0.876 54.926 56.100 -0.496 0.000 0.946 97 R CB 1.596 31.110 30.300 -1.311 0.000 1.208 97 R HN 0.648 nan 8.270 nan 0.000 0.477 98 L N 0.820 121.706 121.223 -0.560 0.000 2.334 98 L HA 0.714 5.054 4.340 0.000 0.000 0.273 98 L C -0.422 176.188 176.870 -0.433 0.000 1.013 98 L CA -1.034 53.472 54.840 -0.556 0.000 0.816 98 L CB 2.004 43.611 42.059 -0.754 0.000 1.278 98 L HN 0.148 nan 8.230 nan 0.000 0.431 99 V N -0.329 119.347 119.914 -0.397 0.000 3.007 99 V HA 0.385 4.506 4.120 0.000 0.000 0.311 99 V C -1.334 174.561 176.094 -0.330 0.000 1.120 99 V CA -0.862 61.267 62.300 -0.284 0.000 0.980 99 V CB 2.239 33.973 31.823 -0.149 0.000 1.033 99 V HN 0.651 nan 8.190 nan 0.000 0.429 100 W N 1.516 122.693 121.300 -0.206 0.000 2.361 100 W HA 0.718 5.378 4.660 0.000 0.000 0.309 100 W C 0.132 176.570 176.519 -0.135 0.000 1.122 100 W CA -0.461 56.761 57.345 -0.205 0.000 1.208 100 W CB 1.612 30.861 29.460 -0.351 0.000 1.246 100 W HN 0.716 nan 8.180 nan 0.000 0.490 101 A N 3.738 126.722 122.820 0.273 0.000 2.304 101 A HA 0.460 4.780 4.320 0.000 0.000 0.314 101 A C -0.734 176.978 177.584 0.214 0.000 1.187 101 A CA -0.625 51.480 52.037 0.114 0.000 0.810 101 A CB 0.617 19.621 19.000 0.008 0.000 1.183 101 A HN 0.749 nan 8.150 nan 0.000 0.487 102 C N 2.501 121.878 119.300 0.128 0.000 2.653 102 C HA 0.511 4.971 4.460 0.000 0.000 0.421 102 C C 1.362 176.324 174.990 -0.047 0.000 1.334 102 C CA 0.797 59.834 59.018 0.032 0.000 1.885 102 C CB -0.111 27.625 27.740 -0.006 0.000 2.645 102 C HN 1.066 nan 8.230 nan 0.000 0.601 103 A N 3.702 126.483 122.820 -0.066 0.000 2.377 103 A HA 0.629 4.949 4.320 0.000 0.000 0.209 103 A C 0.585 178.240 177.584 0.117 0.000 1.359 103 A CA 0.632 52.706 52.037 0.061 0.000 1.026 103 A CB -0.017 19.083 19.000 0.167 0.000 1.224 103 A HN 1.405 nan 8.150 nan 0.000 0.528 104 G N -0.680 108.087 108.800 -0.055 0.000 2.759 104 G HA2 0.552 4.512 3.960 0.000 0.000 0.297 104 G HA3 0.552 4.512 3.960 0.000 0.000 0.297 104 G C -1.592 173.121 174.900 -0.311 0.000 1.434 104 G CA -0.256 44.816 45.100 -0.047 0.000 0.980 104 G HN 0.569 nan 8.290 nan 0.000 0.531 105 V N 0.248 119.902 119.914 -0.434 0.000 3.049 105 V HA 0.808 4.928 4.120 0.000 0.000 0.309 105 V C -0.756 175.047 176.094 -0.484 0.000 1.148 105 V CA -0.870 61.122 62.300 -0.514 0.000 0.990 105 V CB 2.349 33.930 31.823 -0.403 0.000 1.039 105 V HN 0.941 nan 8.190 nan 0.000 0.430 106 E N 2.150 122.038 120.200 -0.520 0.000 2.466 106 E HA 0.453 4.803 4.350 0.000 0.000 0.308 106 E C -1.952 174.455 176.600 -0.321 0.000 0.933 106 E CA -0.551 55.643 56.400 -0.344 0.000 0.800 106 E CB 1.233 30.732 29.700 -0.335 0.000 1.434 106 E HN 0.599 nan 8.360 nan 0.000 0.389 107 I N 3.458 123.943 120.570 -0.141 0.000 2.322 107 I HA 0.341 4.511 4.170 0.000 0.000 0.292 107 I C 0.878 176.921 176.117 -0.124 0.000 1.060 107 I CA 0.130 61.335 61.300 -0.159 0.000 1.309 107 I CB 1.412 39.362 38.000 -0.084 0.000 1.415 107 I HN 0.475 nan 8.210 nan 0.000 0.492 108 G N 6.281 114.977 108.800 -0.174 0.000 2.400 108 G HA2 0.613 4.573 3.960 0.000 0.000 0.301 108 G HA3 0.613 4.573 3.960 0.000 0.000 0.301 108 G C -0.296 174.473 174.900 -0.219 0.000 1.154 108 G CA -0.665 44.348 45.100 -0.145 0.000 0.852 108 G HN 0.337 nan 8.290 nan 0.000 0.511 109 R N 0.966 121.343 120.500 -0.205 0.000 2.534 109 R HA 0.433 4.773 4.340 0.000 0.000 0.301 109 R C 0.932 177.116 176.300 -0.192 0.000 0.961 109 R CA -0.381 55.535 56.100 -0.307 0.000 0.871 109 R CB 1.669 31.799 30.300 -0.283 0.000 1.170 109 R HN 0.618 nan 8.270 nan 0.000 0.446 110 G N 1.919 110.592 108.800 -0.211 0.000 2.629 110 G HA2 -0.096 3.864 3.960 0.000 0.000 0.213 110 G HA3 -0.096 3.864 3.960 0.000 0.000 0.213 110 G C 0.038 174.886 174.900 -0.086 0.000 1.425 110 G CA 0.030 45.056 45.100 -0.122 0.000 0.929 110 G HN 0.403 nan 8.290 nan 0.000 0.527 111 Q N 1.276 121.029 119.800 -0.079 0.000 2.523 111 Q HA 0.009 4.349 4.340 0.000 0.000 0.322 111 Q C -2.001 173.983 176.000 -0.026 0.000 1.284 111 Q CA -0.111 55.668 55.803 -0.040 0.000 1.035 111 Q CB -0.457 28.266 28.738 -0.026 0.000 1.307 111 Q HN 0.329 nan 8.270 nan 0.000 0.468 112 P HA 0.212 nan 4.420 nan 0.000 0.282 112 P C -0.534 176.773 177.300 0.013 0.000 1.259 112 P CA -0.673 62.429 63.100 0.002 0.000 0.826 112 P CB 0.679 32.383 31.700 0.006 0.000 1.064 113 L N 1.070 122.303 121.223 0.017 0.000 2.506 113 L HA 0.450 4.790 4.340 0.000 0.000 0.281 113 L C 1.391 178.278 176.870 0.028 0.000 1.228 113 L CA 1.708 56.564 54.840 0.026 0.000 0.850 113 L CB -0.797 41.279 42.059 0.029 0.000 1.110 113 L HN 0.785 nan 8.230 nan 0.000 0.496 114 G N 0.804 109.624 108.800 0.033 0.000 2.387 114 G HA2 0.550 4.510 3.960 0.000 0.000 0.294 114 G HA3 0.550 4.510 3.960 0.000 0.000 0.294 114 G C -1.686 173.236 174.900 0.036 0.000 1.509 114 G CA -0.166 44.953 45.100 0.033 0.000 0.806 114 G HN 0.662 nan 8.290 nan 0.000 0.546 115 V N -1.415 118.522 119.914 0.039 0.000 2.628 115 V HA 1.038 5.158 4.120 0.000 0.000 0.306 115 V C 0.393 176.511 176.094 0.039 0.000 1.045 115 V CA -0.160 62.172 62.300 0.053 0.000 0.905 115 V CB 1.449 33.308 31.823 0.059 0.000 0.997 115 V HN 1.820 nan 8.190 nan 0.000 0.436 116 G N 2.914 111.750 108.800 0.060 0.000 2.620 116 G HA2 0.691 4.651 3.960 0.000 0.000 0.301 116 G HA3 0.691 4.651 3.960 0.000 0.000 0.301 116 G C -1.312 173.621 174.900 0.055 0.000 1.347 116 G CA -1.010 44.115 45.100 0.041 0.000 0.971 116 G HN 0.848 nan 8.290 nan 0.000 0.488 117 L N 0.433 121.671 121.223 0.024 0.000 2.358 117 L HA 0.749 5.089 4.340 0.000 0.000 0.268 117 L C 0.200 177.059 176.870 -0.017 0.000 1.032 117 L CA -0.783 54.029 54.840 -0.047 0.000 0.805 117 L CB 2.010 44.038 42.059 -0.051 0.000 1.253 117 L HN 0.457 nan 8.230 nan 0.000 0.452 118 S N -0.496 115.069 115.700 -0.225 0.000 2.541 118 S HA 0.847 5.317 4.470 0.000 0.000 0.280 118 S C -0.206 174.185 174.600 -0.347 0.000 1.112 118 S CA -0.589 57.446 58.200 -0.276 0.000 0.925 118 S CB 2.163 65.132 63.200 -0.385 0.000 1.067 118 S HN 0.909 nan 8.310 nan 0.000 0.479 119 G N 0.808 109.369 108.800 -0.398 0.000 2.782 119 G HA2 0.667 4.627 3.960 0.000 0.000 0.304 119 G HA3 0.667 4.627 3.960 0.000 0.000 0.304 119 G C -2.028 172.752 174.900 -0.201 0.000 1.315 119 G CA -0.380 44.559 45.100 -0.268 0.000 0.791 119 G HN 0.651 nan 8.290 nan 0.000 0.519 120 H N -0.617 118.327 119.070 -0.210 0.000 3.029 120 H HA 0.389 4.945 4.556 0.000 0.000 0.358 120 H C -2.276 172.940 175.328 -0.187 0.000 1.129 120 H CA -1.298 54.661 56.048 -0.147 0.000 1.230 120 H CB 2.875 32.634 29.762 -0.005 0.000 1.827 120 H HN 0.116 nan 8.280 nan 0.000 0.530 121 P HA 0.024 nan 4.420 nan 0.000 0.221 121 P C -0.136 176.909 177.300 -0.425 0.000 1.150 121 P CA 1.215 64.085 63.100 -0.383 0.000 0.800 121 P CB 0.142 31.406 31.700 -0.727 0.000 0.787 122 F N -2.881 117.299 119.950 0.384 0.000 2.577 122 F HA 0.259 4.786 4.527 0.000 0.000 0.342 122 F C 0.277 175.940 175.800 -0.228 0.000 1.479 122 F CA -1.291 56.737 58.000 0.047 0.000 1.110 122 F CB -0.034 38.989 39.000 0.039 0.000 1.306 122 F HN -0.195 nan 8.300 nan 0.000 0.554 123 Y N 1.978 122.161 120.300 -0.195 0.000 2.578 123 Y HA 0.029 4.579 4.550 0.000 0.000 0.339 123 Y C 0.678 176.441 175.900 -0.228 0.000 1.231 123 Y CA -0.165 57.752 58.100 -0.305 0.000 1.461 123 Y CB 0.492 38.803 38.460 -0.247 0.000 1.323 123 Y HN 0.274 nan 8.280 nan 0.000 0.590 124 N N 5.488 123.827 118.700 -0.602 0.000 2.868 124 N HA 0.089 4.829 4.740 0.000 0.000 0.252 124 N C -1.407 173.864 175.510 -0.398 0.000 1.130 124 N CA -0.221 52.587 53.050 -0.405 0.000 1.026 124 N CB -0.164 38.107 38.487 -0.361 0.000 1.335 124 N HN 0.563 nan 8.380 nan 0.000 0.516 125 K N 4.104 124.383 120.400 -0.203 0.000 2.449 125 K HA 0.141 4.461 4.320 0.000 0.000 0.257 125 K C 0.377 176.896 176.600 -0.136 0.000 0.989 125 K CA -0.607 55.564 56.287 -0.193 0.000 0.916 125 K CB 0.917 33.160 32.500 -0.428 0.000 1.136 125 K HN 0.276 nan 8.250 nan 0.000 0.439 126 L N 3.847 125.039 121.223 -0.051 0.000 1.973 126 L HA -0.036 4.304 4.340 0.000 0.000 0.208 126 L C -0.389 176.493 176.870 0.020 0.000 1.073 126 L CA 2.155 56.988 54.840 -0.013 0.000 0.746 126 L CB -0.160 41.907 42.059 0.014 0.000 0.891 126 L HN 0.916 nan 8.230 nan 0.000 0.433 127 D N -3.589 116.872 120.400 0.101 0.000 2.755 127 D HA 0.169 4.809 4.640 0.000 0.000 0.277 127 D C -1.530 174.979 176.300 0.349 0.000 1.261 127 D CA -0.644 53.453 54.000 0.161 0.000 0.759 127 D CB -0.017 40.858 40.800 0.126 0.000 1.279 127 D HN -0.010 nan 8.370 nan 0.000 0.420 128 D N -0.726 119.890 120.400 0.361 0.000 2.346 128 D HA 0.311 4.951 4.640 0.000 0.000 0.260 128 D C 0.764 177.235 176.300 0.286 0.000 1.252 128 D CA 0.079 54.325 54.000 0.410 0.000 0.895 128 D CB 0.727 41.711 40.800 0.308 0.000 1.097 128 D HN 0.447 nan 8.370 nan 0.000 0.489 129 T N -0.008 114.731 114.554 0.308 0.000 3.092 129 T HA 0.078 4.428 4.350 0.000 0.000 0.258 129 T C 1.266 176.085 174.700 0.198 0.000 1.031 129 T CA -0.319 61.928 62.100 0.244 0.000 0.925 129 T CB 0.105 69.158 68.868 0.309 0.000 1.036 129 T HN 0.499 nan 8.240 nan 0.000 0.544 130 E N 2.086 122.398 120.200 0.187 0.000 2.152 130 E HA -0.067 4.283 4.350 0.000 0.000 0.192 130 E C 0.568 177.202 176.600 0.058 0.000 0.983 130 E CA 1.172 57.653 56.400 0.134 0.000 0.818 130 E CB 0.191 29.773 29.700 -0.198 0.000 0.758 130 E HN 0.649 nan 8.360 nan 0.000 0.467 131 S N -0.191 115.536 115.700 0.046 0.000 3.402 131 S HA 0.013 4.483 4.470 0.000 0.000 0.127 131 S C -0.434 174.178 174.600 0.020 0.000 0.852 131 S CA -0.157 58.050 58.200 0.012 0.000 0.823 131 S CB -0.924 62.254 63.200 -0.038 0.000 1.333 131 S HN 0.210 nan 8.310 nan 0.000 0.663 132 S N 1.433 117.177 115.700 0.073 0.000 2.642 132 S HA 0.026 4.496 4.470 0.000 0.000 0.308 132 S C 1.101 175.753 174.600 0.086 0.000 1.255 132 S CA -0.040 58.221 58.200 0.102 0.000 1.057 132 S CB -0.098 63.175 63.200 0.122 0.000 0.785 132 S HN 0.511 nan 8.310 nan 0.000 0.500 133 H N 2.696 121.796 119.070 0.050 0.000 2.472 133 H HA -0.149 4.408 4.556 0.000 0.000 0.296 133 H C 1.193 176.542 175.328 0.034 0.000 1.120 133 H CA 1.838 57.909 56.048 0.037 0.000 1.250 133 H CB -0.090 29.692 29.762 0.034 0.000 1.366 133 H HN 0.907 nan 8.280 nan 0.000 0.524 134 A N -1.176 121.741 122.820 0.162 0.000 5.327 134 A HA 0.547 4.867 4.320 0.000 0.000 0.105 134 A C -0.688 176.949 177.584 0.089 0.000 1.178 134 A CA 0.111 52.213 52.037 0.108 0.000 1.782 134 A CB -0.629 18.436 19.000 0.108 0.000 2.452 134 A HN 0.337 nan 8.150 nan 0.000 1.125 135 A N -0.388 122.475 122.820 0.071 0.000 2.280 135 A HA 0.703 5.023 4.320 0.000 0.000 0.268 135 A C 0.632 178.253 177.584 0.063 0.000 1.111 135 A CA 0.933 53.005 52.037 0.059 0.000 0.814 135 A CB -0.299 18.727 19.000 0.043 0.000 1.093 135 A HN 2.207 nan 8.150 nan 0.000 0.498 136 T N -2.145 112.442 114.554 0.054 0.000 2.742 136 T HA 0.637 4.987 4.350 0.000 0.000 0.282 136 T C 0.267 174.987 174.700 0.034 0.000 1.025 136 T CA 0.017 62.148 62.100 0.052 0.000 1.020 136 T CB 0.400 69.308 68.868 0.067 0.000 1.317 136 T HN 1.523 nan 8.240 nan 0.000 0.538 137 S N 0.994 116.711 115.700 0.028 0.000 2.560 137 S HA 0.112 4.582 4.470 0.000 0.000 0.276 137 S C 0.265 174.871 174.600 0.009 0.000 1.350 137 S CA -0.548 57.661 58.200 0.015 0.000 1.024 137 S CB -0.515 62.691 63.200 0.010 0.000 0.864 137 S HN 0.972 nan 8.310 nan 0.000 0.536 138 N N 0.394 119.096 118.700 0.003 0.000 2.492 138 N HA 0.046 4.786 4.740 0.000 0.000 0.262 138 N C -0.054 175.451 175.510 -0.008 0.000 1.202 138 N CA -0.347 52.702 53.050 -0.002 0.000 0.926 138 N CB 0.416 38.901 38.487 -0.004 0.000 1.078 138 N HN 0.484 nan 8.380 nan 0.000 0.454 139 V N 3.392 123.299 119.914 -0.011 0.000 2.588 139 V HA -0.044 4.076 4.120 0.000 0.000 0.329 139 V C 1.695 177.776 176.094 -0.023 0.000 1.688 139 V CA 0.501 62.789 62.300 -0.020 0.000 1.686 139 V CB -2.016 29.793 31.823 -0.023 0.000 1.383 139 V HN 0.802 nan 8.190 nan 0.000 0.492 140 S N 0.920 116.607 115.700 -0.021 0.000 2.459 140 S HA -0.155 4.315 4.470 0.000 0.000 0.204 140 S C 1.388 175.970 174.600 -0.031 0.000 1.102 140 S CA 1.580 59.767 58.200 -0.023 0.000 1.258 140 S CB 0.103 63.291 63.200 -0.020 0.000 1.033 140 S HN 0.689 nan 8.310 nan 0.000 0.398 141 E N -0.069 120.110 120.200 -0.036 0.000 3.874 141 E HA 0.148 4.498 4.350 0.000 0.000 0.216 141 E C -1.095 175.470 176.600 -0.057 0.000 1.307 141 E CA -0.038 56.334 56.400 -0.046 0.000 1.536 141 E CB 0.413 30.086 29.700 -0.046 0.000 1.996 141 E HN 0.387 nan 8.360 nan 0.000 0.602 142 D N 0.979 121.344 120.400 -0.058 0.000 2.472 142 D HA 0.252 4.892 4.640 0.000 0.000 0.234 142 D C -0.386 175.886 176.300 -0.047 0.000 1.088 142 D CA -0.153 53.805 54.000 -0.069 0.000 0.882 142 D CB 1.702 42.446 40.800 -0.093 0.000 1.037 142 D HN 0.022 nan 8.370 nan 0.000 0.520 143 V N 3.940 123.828 119.914 -0.044 0.000 3.176 143 V HA 0.230 4.350 4.120 0.000 0.000 0.332 143 V C 0.981 177.060 176.094 -0.026 0.000 1.414 143 V CA -0.374 61.909 62.300 -0.029 0.000 1.133 143 V CB -0.514 31.291 31.823 -0.030 0.000 1.088 143 V HN 0.320 nan 8.190 nan 0.000 0.473 144 R N 1.907 122.397 120.500 -0.018 0.000 2.484 144 R HA 0.230 4.570 4.340 0.000 0.000 0.293 144 R C -0.562 175.779 176.300 0.068 0.000 1.023 144 R CA 0.302 56.411 56.100 0.015 0.000 1.037 144 R CB 0.368 30.696 30.300 0.047 0.000 0.951 144 R HN 0.347 nan 8.270 nan 0.000 0.418 145 D N 0.855 121.267 120.400 0.020 0.000 2.392 145 D HA 0.103 4.743 4.640 0.000 0.000 0.246 145 D C -0.483 175.806 176.300 -0.019 0.000 1.013 145 D CA -0.604 53.393 54.000 -0.005 0.000 0.993 145 D CB 1.081 41.837 40.800 -0.073 0.000 1.219 145 D HN 0.328 nan 8.370 nan 0.000 0.538 146 N N 1.050 119.715 118.700 -0.059 0.000 2.414 146 N HA 0.270 5.010 4.740 0.000 0.000 0.256 146 N C -0.897 174.529 175.510 -0.140 0.000 1.029 146 N CA -0.222 52.769 53.050 -0.099 0.000 0.948 146 N CB 0.626 39.045 38.487 -0.114 0.000 1.102 146 N HN 0.255 nan 8.380 nan 0.000 0.496 147 V N 0.818 120.617 119.914 -0.191 0.000 3.102 147 V HA 0.887 5.007 4.120 0.000 0.000 0.312 147 V C -0.191 175.747 176.094 -0.261 0.000 1.135 147 V CA -0.812 61.325 62.300 -0.272 0.000 1.022 147 V CB 1.458 32.980 31.823 -0.502 0.000 1.056 147 V HN 0.689 nan 8.190 nan 0.000 0.436 148 S N 0.862 116.432 115.700 -0.216 0.000 2.697 148 S HA 0.960 5.431 4.470 0.000 0.000 0.289 148 S C -0.964 173.539 174.600 -0.163 0.000 1.149 148 S CA -0.264 57.818 58.200 -0.197 0.000 0.850 148 S CB 1.699 64.811 63.200 -0.145 0.000 1.151 148 S HN 2.413 nan 8.310 nan 0.000 0.491 149 V N 1.228 121.022 119.914 -0.200 0.000 3.036 149 V HA 0.412 4.532 4.120 0.000 0.000 0.280 149 V C -2.210 173.701 176.094 -0.304 0.000 1.497 149 V CA -0.633 61.563 62.300 -0.174 0.000 0.982 149 V CB 2.088 33.861 31.823 -0.083 0.000 1.171 149 V HN 1.245 nan 8.190 nan 0.000 0.444 150 D N 5.067 125.344 120.400 -0.205 0.000 2.277 150 D HA 0.294 4.934 4.640 0.000 0.000 0.249 150 D C -0.147 176.054 176.300 -0.166 0.000 1.134 150 D CA 0.008 53.894 54.000 -0.190 0.000 0.863 150 D CB 0.732 41.505 40.800 -0.044 0.000 1.143 150 D HN 0.547 nan 8.370 nan 0.000 0.458 151 Y N 0.445 120.672 120.300 -0.122 0.000 2.220 151 Y HA 0.025 4.575 4.550 0.000 0.000 0.347 151 Y C 1.701 177.596 175.900 -0.008 0.000 1.311 151 Y CA -0.778 57.225 58.100 -0.161 0.000 1.593 151 Y CB 0.634 38.767 38.460 -0.545 0.000 1.419 151 Y HN 0.304 nan 8.280 nan 0.000 0.614 152 K N 1.441 121.976 120.400 0.225 0.000 2.380 152 K HA -0.025 4.295 4.320 0.000 0.000 0.267 152 K C -0.636 176.118 176.600 0.256 0.000 0.990 152 K CA -0.395 55.991 56.287 0.165 0.000 0.946 152 K CB 0.528 33.096 32.500 0.113 0.000 0.937 152 K HN 0.689 nan 8.250 nan 0.000 0.491 153 Q N 2.565 122.484 119.800 0.198 0.000 2.340 153 Q HA 0.210 4.550 4.340 0.000 0.000 0.259 153 Q C -1.385 174.715 176.000 0.167 0.000 0.964 153 Q CA -0.440 55.482 55.803 0.199 0.000 0.900 153 Q CB 1.382 30.212 28.738 0.155 0.000 1.228 153 Q HN 0.698 nan 8.270 nan 0.000 0.449 154 T N 3.391 118.048 114.554 0.172 0.000 2.916 154 T HA 0.516 4.866 4.350 0.000 0.000 0.292 154 T C -1.080 173.698 174.700 0.130 0.000 1.055 154 T CA -0.750 61.439 62.100 0.149 0.000 1.009 154 T CB 1.796 70.765 68.868 0.168 0.000 1.118 154 T HN 0.573 nan 8.240 nan 0.000 0.497 155 Q N 1.379 121.250 119.800 0.119 0.000 2.313 155 Q HA 0.565 4.905 4.340 0.000 0.000 0.255 155 Q C -1.728 174.337 176.000 0.108 0.000 0.944 155 Q CA -0.759 55.121 55.803 0.128 0.000 0.881 155 Q CB 2.343 31.090 28.738 0.015 0.000 1.375 155 Q HN 0.653 nan 8.270 nan 0.000 0.422 156 L N -0.810 120.534 121.223 0.202 0.000 2.465 156 L HA 0.970 5.310 4.340 0.000 0.000 0.257 156 L C -1.641 175.399 176.870 0.285 0.000 0.988 156 L CA -0.696 54.251 54.840 0.178 0.000 0.827 156 L CB 2.401 44.575 42.059 0.192 0.000 1.397 156 L HN 0.685 nan 8.230 nan 0.000 0.410 157 C N 4.103 123.537 119.300 0.222 0.000 2.607 157 C HA 0.833 5.293 4.460 0.000 0.000 0.350 157 C C -1.281 173.845 174.990 0.225 0.000 1.101 157 C CA -0.332 58.866 59.018 0.300 0.000 1.282 157 C CB 0.573 28.560 27.740 0.411 0.000 1.825 157 C HN 0.744 nan 8.230 nan 0.000 0.460 158 I N 6.794 127.497 120.570 0.221 0.000 2.436 158 I HA 0.489 4.659 4.170 0.000 0.000 0.289 158 I C -0.426 175.794 176.117 0.172 0.000 1.010 158 I CA -0.555 60.843 61.300 0.162 0.000 1.098 158 I CB 1.439 39.473 38.000 0.057 0.000 1.266 158 I HN 0.580 nan 8.210 nan 0.000 0.434 159 L N 4.933 126.268 121.223 0.187 0.000 2.346 159 L HA 0.945 5.285 4.340 0.000 0.000 0.274 159 L C 0.305 176.921 176.870 -0.424 0.000 1.007 159 L CA -0.315 54.581 54.840 0.094 0.000 0.818 159 L CB 2.290 44.553 42.059 0.340 0.000 1.284 159 L HN 0.840 nan 8.230 nan 0.000 0.424 160 G N -0.096 108.397 108.800 -0.511 0.000 2.451 160 G HA2 0.293 4.253 3.960 0.000 0.000 0.292 160 G HA3 0.293 4.253 3.960 0.000 0.000 0.292 160 G C -0.663 174.114 174.900 -0.204 0.000 1.427 160 G CA -0.264 44.275 45.100 -0.935 0.000 0.792 160 G HN 0.727 nan 8.290 nan 0.000 0.498 161 C N -0.732 118.561 119.300 -0.013 0.000 2.470 161 C HA 0.816 5.276 4.460 0.000 0.000 0.311 161 C C 0.757 175.853 174.990 0.178 0.000 1.387 161 C CA -0.248 58.938 59.018 0.279 0.000 1.783 161 C CB -1.602 26.365 27.740 0.379 0.000 2.416 161 C HN 1.799 nan 8.230 nan 0.000 0.558 162 A N 1.248 123.938 122.820 -0.215 0.000 2.555 162 A HA 0.788 5.108 4.320 0.000 0.000 0.297 162 A C -2.941 173.987 177.584 -1.095 0.000 1.060 162 A CA -0.835 50.799 52.037 -0.672 0.000 0.710 162 A CB 0.848 19.710 19.000 -0.229 0.000 1.282 162 A HN 0.190 nan 8.150 nan 0.000 0.399 163 P HA 0.224 nan 4.420 nan 0.000 0.268 163 P C 0.236 177.227 177.300 -0.514 0.000 1.189 163 P CA 0.599 63.040 63.100 -1.098 0.000 0.771 163 P CB 0.554 31.748 31.700 -0.843 0.000 0.822 164 A N 2.643 125.264 122.820 -0.331 0.000 2.304 164 A HA 0.520 4.840 4.320 0.000 0.000 0.271 164 A C 0.242 177.684 177.584 -0.237 0.000 1.091 164 A CA -0.585 51.302 52.037 -0.251 0.000 0.812 164 A CB -0.146 18.727 19.000 -0.211 0.000 1.056 164 A HN 0.458 nan 8.150 nan 0.000 0.489 165 I N 0.596 121.034 120.570 -0.220 0.000 2.437 165 I HA 0.566 4.736 4.170 0.000 0.000 0.298 165 I C 0.853 176.833 176.117 -0.228 0.000 0.984 165 I CA 0.197 61.382 61.300 -0.192 0.000 1.214 165 I CB 2.019 39.933 38.000 -0.144 0.000 1.365 165 I HN 0.695 nan 8.210 nan 0.000 0.469 166 G N 3.651 112.335 108.800 -0.194 0.000 2.600 166 G HA2 0.768 4.728 3.960 0.000 0.000 0.303 166 G HA3 0.768 4.728 3.960 0.000 0.000 0.303 166 G C -1.438 173.415 174.900 -0.079 0.000 1.253 166 G CA -0.468 44.525 45.100 -0.178 0.000 0.974 166 G HN 0.657 nan 8.290 nan 0.000 0.483 167 E N -0.843 119.344 120.200 -0.020 0.000 2.392 167 E HA 0.709 5.059 4.350 0.000 0.000 0.269 167 E C -1.310 175.325 176.600 0.058 0.000 0.924 167 E CA -1.012 55.368 56.400 -0.034 0.000 0.784 167 E CB 2.515 32.147 29.700 -0.113 0.000 1.292 167 E HN 0.775 nan 8.360 nan 0.000 0.447 168 H N -0.640 118.272 119.070 -0.262 0.000 2.969 168 H HA 0.232 4.788 4.556 0.000 0.000 0.304 168 H C -2.016 173.068 175.328 -0.407 0.000 1.400 168 H CA -1.148 54.759 56.048 -0.236 0.000 1.182 168 H CB 0.004 29.726 29.762 -0.067 0.000 1.865 168 H HN 0.653 nan 8.280 nan 0.000 0.512 169 W N 1.119 122.364 121.300 -0.093 0.000 2.376 169 W HA 0.716 5.376 4.660 0.000 0.000 0.322 169 W C -0.020 176.402 176.519 -0.162 0.000 1.160 169 W CA 0.045 57.291 57.345 -0.166 0.000 1.218 169 W CB 1.811 31.216 29.460 -0.091 0.000 1.205 169 W HN 0.868 nan 8.180 nan 0.000 0.559 170 A N 2.423 125.269 122.820 0.043 0.000 2.569 170 A HA 0.570 4.890 4.320 0.000 0.000 0.290 170 A C -1.104 176.517 177.584 0.061 0.000 1.136 170 A CA -1.181 50.878 52.037 0.036 0.000 0.710 170 A CB 1.406 20.388 19.000 -0.030 0.000 1.303 170 A HN 0.561 nan 8.150 nan 0.000 0.413 171 K N 0.827 121.255 120.400 0.047 0.000 2.447 171 K HA 0.318 4.638 4.320 0.000 0.000 0.281 171 K C 0.604 177.223 176.600 0.031 0.000 1.031 171 K CA 0.527 56.836 56.287 0.037 0.000 1.019 171 K CB 0.193 32.710 32.500 0.029 0.000 0.918 171 K HN 0.877 nan 8.250 nan 0.000 0.476 172 G N 2.537 111.358 108.800 0.035 0.000 2.569 172 G HA2 0.054 4.014 3.960 0.000 0.000 0.249 172 G HA3 0.054 4.014 3.960 0.000 0.000 0.249 172 G C -0.609 174.301 174.900 0.017 0.000 1.216 172 G CA -0.614 44.503 45.100 0.028 0.000 0.845 172 G HN 0.654 nan 8.290 nan 0.000 0.568 173 T N 1.183 115.744 114.554 0.012 0.000 2.784 173 T HA 0.365 4.715 4.350 0.000 0.000 0.291 173 T C 0.871 175.575 174.700 0.007 0.000 0.942 173 T CA 0.324 62.429 62.100 0.008 0.000 1.161 173 T CB 0.705 69.576 68.868 0.004 0.000 0.885 173 T HN 0.812 nan 8.240 nan 0.000 0.534 174 A N 4.634 127.457 122.820 0.007 0.000 2.505 174 A HA 0.380 4.700 4.320 0.000 0.000 0.271 174 A C 1.039 178.625 177.584 0.004 0.000 1.112 174 A CA -0.652 51.388 52.037 0.005 0.000 0.781 174 A CB -0.339 18.664 19.000 0.004 0.000 1.059 174 A HN 0.917 nan 8.150 nan 0.000 0.508 175 S N 2.608 118.310 115.700 0.003 0.000 2.549 175 S HA 0.146 4.616 4.470 0.000 0.000 0.283 175 S C 1.002 175.603 174.600 0.001 0.000 1.320 175 S CA 0.050 58.252 58.200 0.002 0.000 1.058 175 S CB 0.873 64.075 63.200 0.003 0.000 0.882 175 S HN 0.781 nan 8.310 nan 0.000 0.498 176 K N 2.048 122.449 120.400 0.001 0.000 2.211 176 K HA -0.106 4.215 4.320 0.000 0.000 0.203 176 K C 2.054 178.654 176.600 0.000 0.000 1.050 176 K CA 1.363 57.651 56.287 0.000 0.000 0.945 176 K CB -0.577 31.922 32.500 0.000 0.000 0.732 176 K HN 0.707 nan 8.250 nan 0.000 0.451 177 S N 0.767 116.467 115.700 0.000 0.000 2.345 177 S HA -0.088 4.383 4.470 0.000 0.000 0.220 177 S C 1.352 175.952 174.600 -0.000 0.000 1.031 177 S CA 0.332 58.532 58.200 0.000 0.000 0.996 177 S CB -0.150 63.050 63.200 0.000 0.000 0.882 177 S HN 0.170 nan 8.310 nan 0.000 0.445 178 R N 2.787 123.287 120.500 0.000 0.000 2.402 178 R HA 0.438 4.778 4.340 0.000 0.000 0.290 178 R C -2.880 173.420 176.300 -0.000 0.000 1.321 178 R CA -2.350 53.750 56.100 -0.000 0.000 1.283 178 R CB 0.872 31.172 30.300 -0.000 0.000 1.111 178 R HN 0.394 nan 8.270 nan 0.000 0.578 179 P HA -0.032 nan 4.420 nan 0.000 0.271 179 P C -0.485 176.815 177.300 -0.001 0.000 1.238 179 P CA -0.510 62.590 63.100 -0.001 0.000 0.794 179 P CB 0.974 32.674 31.700 -0.001 0.000 0.959 180 L N 1.615 122.838 121.223 -0.001 0.000 2.283 180 L HA 0.185 4.525 4.340 0.000 0.000 0.281 180 L C 0.344 177.212 176.870 -0.003 0.000 1.033 180 L CA -0.159 54.680 54.840 -0.002 0.000 0.848 180 L CB 0.056 42.115 42.059 -0.001 0.000 1.226 180 L HN 0.398 nan 8.230 nan 0.000 0.429 181 S N 2.499 118.197 115.700 -0.004 0.000 2.546 181 S HA 0.118 4.588 4.470 0.000 0.000 0.290 181 S C 0.194 174.790 174.600 -0.005 0.000 1.290 181 S CA -0.535 57.662 58.200 -0.004 0.000 1.069 181 S CB 0.408 63.605 63.200 -0.005 0.000 0.846 181 S HN 0.599 nan 8.310 nan 0.000 0.495 182 Q N 1.912 121.709 119.800 -0.005 0.000 2.283 182 Q HA 0.379 4.719 4.340 0.000 0.000 0.301 182 Q C 1.379 177.374 176.000 -0.008 0.000 1.063 182 Q CA 1.809 57.609 55.803 -0.006 0.000 0.952 182 Q CB -0.187 28.547 28.738 -0.006 0.000 1.166 182 Q HN 1.318 nan 8.270 nan 0.000 0.381 183 G N 3.224 112.019 108.800 -0.009 0.000 2.349 183 G HA2 -0.247 3.713 3.960 0.000 0.000 0.213 183 G HA3 -0.247 3.713 3.960 0.000 0.000 0.213 183 G C -0.129 174.763 174.900 -0.012 0.000 1.044 183 G CA -0.057 45.036 45.100 -0.011 0.000 0.633 183 G HN 0.656 nan 8.290 nan 0.000 0.506 184 D N 0.360 120.754 120.400 -0.010 0.000 2.368 184 D HA 0.442 5.082 4.640 0.000 0.000 0.240 184 D C 0.910 177.203 176.300 -0.012 0.000 1.169 184 D CA 0.483 54.476 54.000 -0.011 0.000 0.906 184 D CB 1.007 41.802 40.800 -0.009 0.000 1.187 184 D HN 0.556 nan 8.370 nan 0.000 0.435 185 C N 3.990 123.281 119.300 -0.015 0.000 2.576 185 C HA 0.404 4.864 4.460 0.000 0.000 0.401 185 C C -1.906 173.075 174.990 -0.015 0.000 1.314 185 C CA -1.356 57.652 59.018 -0.018 0.000 1.855 185 C CB -0.553 27.172 27.740 -0.025 0.000 2.537 185 C HN 0.455 nan 8.230 nan 0.000 0.578 186 P HA 0.384 nan 4.420 nan 0.000 0.274 186 P C -2.745 174.550 177.300 -0.008 0.000 1.246 186 P CA -0.972 62.125 63.100 -0.005 0.000 0.795 186 P CB 0.283 31.984 31.700 0.001 0.000 1.006 187 P HA 0.252 nan 4.420 nan 0.000 0.282 187 P C -0.737 176.578 177.300 0.025 0.000 1.249 187 P CA -0.272 62.831 63.100 0.004 0.000 0.806 187 P CB 0.781 32.489 31.700 0.012 0.000 0.984 188 L N 1.909 123.148 121.223 0.026 0.000 2.307 188 L HA 0.471 4.811 4.340 0.000 0.000 0.282 188 L C 0.683 177.716 176.870 0.271 0.000 1.051 188 L CA -0.126 54.784 54.840 0.117 0.000 0.804 188 L CB 0.648 42.678 42.059 -0.048 0.000 1.197 188 L HN 0.583 nan 8.230 nan 0.000 0.431 189 E N 2.405 122.797 120.200 0.321 0.000 2.224 189 E HA 0.332 4.682 4.350 0.000 0.000 0.265 189 E C -1.436 175.161 176.600 -0.005 0.000 0.878 189 E CA -0.906 55.616 56.400 0.204 0.000 0.759 189 E CB 2.443 32.173 29.700 0.051 0.000 1.164 189 E HN 0.387 nan 8.360 nan 0.000 0.414 190 L N 4.181 125.212 121.223 -0.319 0.000 2.367 190 L HA 0.306 4.646 4.340 0.000 0.000 0.275 190 L C -0.770 175.797 176.870 -0.506 0.000 1.129 190 L CA 0.585 54.881 54.840 -0.907 0.000 0.839 190 L CB 0.396 41.880 42.059 -0.958 0.000 1.133 190 L HN 0.462 nan 8.230 nan 0.000 0.453 191 K N 4.037 124.092 120.400 -0.574 0.000 2.345 191 K HA 0.423 4.743 4.320 0.000 0.000 0.255 191 K C -0.933 175.514 176.600 -0.255 0.000 0.934 191 K CA -0.875 55.186 56.287 -0.377 0.000 0.801 191 K CB 1.326 33.584 32.500 -0.403 0.000 1.137 191 K HN 0.583 nan 8.250 nan 0.000 0.424 192 N N 1.046 119.659 118.700 -0.145 0.000 2.508 192 N HA 0.344 5.084 4.740 0.000 0.000 0.285 192 N C -0.528 174.960 175.510 -0.037 0.000 1.144 192 N CA 0.055 53.053 53.050 -0.087 0.000 0.978 192 N CB 1.949 40.386 38.487 -0.084 0.000 1.180 192 N HN 0.576 nan 8.380 nan 0.000 0.484 193 T N -0.985 113.551 114.554 -0.031 0.000 2.775 193 T HA 0.284 4.634 4.350 0.000 0.000 0.320 193 T C -1.198 173.459 174.700 -0.071 0.000 1.597 193 T CA -0.579 61.505 62.100 -0.027 0.000 1.022 193 T CB 0.534 69.410 68.868 0.013 0.000 1.485 193 T HN 0.019 nan 8.240 nan 0.000 0.494 194 V N 3.269 123.143 119.914 -0.066 0.000 2.775 194 V HA 0.392 4.512 4.120 0.000 0.000 0.299 194 V C 0.390 176.410 176.094 -0.123 0.000 1.062 194 V CA -0.476 61.770 62.300 -0.089 0.000 1.063 194 V CB 1.074 32.874 31.823 -0.039 0.000 0.994 194 V HN 0.706 nan 8.190 nan 0.000 0.483 195 L N 4.897 126.023 121.223 -0.163 0.000 2.282 195 L HA 0.344 4.684 4.340 0.000 0.000 0.287 195 L C 0.444 177.275 176.870 -0.065 0.000 1.075 195 L CA -0.037 54.659 54.840 -0.241 0.000 0.839 195 L CB 0.180 41.982 42.059 -0.428 0.000 1.219 195 L HN 0.725 nan 8.230 nan 0.000 0.434 196 E N 1.352 121.513 120.200 -0.064 0.000 2.318 196 E HA 0.157 4.507 4.350 0.000 0.000 0.265 196 E C -0.772 175.850 176.600 0.037 0.000 1.069 196 E CA -0.874 55.514 56.400 -0.020 0.000 0.893 196 E CB 1.157 30.756 29.700 -0.169 0.000 1.076 196 E HN 0.372 nan 8.360 nan 0.000 0.414 197 D N -0.498 119.955 120.400 0.089 0.000 2.424 197 D HA 0.218 4.858 4.640 0.000 0.000 0.244 197 D C 0.853 177.180 176.300 0.046 0.000 1.134 197 D CA 1.667 55.716 54.000 0.082 0.000 0.881 197 D CB 0.446 41.301 40.800 0.092 0.000 1.191 197 D HN 0.560 nan 8.370 nan 0.000 0.445 198 G N 3.355 112.207 108.800 0.086 0.000 2.284 198 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 198 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 198 G C 0.094 175.066 174.900 0.120 0.000 1.009 198 G CA 0.004 45.152 45.100 0.081 0.000 0.625 198 G HN 0.640 nan 8.290 nan 0.000 0.501 199 D N 1.991 122.469 120.400 0.129 0.000 2.449 199 D HA 0.366 5.006 4.640 0.000 0.000 0.236 199 D C 1.180 177.660 176.300 0.300 0.000 1.149 199 D CA 0.462 54.554 54.000 0.153 0.000 0.878 199 D CB 0.382 41.216 40.800 0.056 0.000 1.198 199 D HN 0.150 nan 8.370 nan 0.000 0.446 200 M N 1.278 121.028 119.600 0.250 0.000 2.314 200 M HA 0.220 4.701 4.480 0.000 0.000 0.342 200 M C 0.299 176.788 176.300 0.314 0.000 1.171 200 M CA -0.887 54.559 55.300 0.244 0.000 1.098 200 M CB 1.175 33.881 32.600 0.176 0.000 1.559 200 M HN 0.155 nan 8.290 nan 0.000 0.459 201 V N -0.801 119.218 119.914 0.174 0.000 3.262 201 V HA 0.462 4.582 4.120 0.000 0.000 0.313 201 V C -0.189 176.014 176.094 0.182 0.000 1.070 201 V CA -1.028 61.360 62.300 0.146 0.000 1.049 201 V CB 1.053 32.793 31.823 -0.139 0.000 1.157 201 V HN 0.859 nan 8.190 nan 0.000 0.454 202 D N 1.050 121.594 120.400 0.240 0.000 2.417 202 D HA 0.206 4.846 4.640 0.000 0.000 0.250 202 D C 1.145 177.498 176.300 0.088 0.000 1.166 202 D CA 0.733 54.846 54.000 0.187 0.000 0.881 202 D CB 1.228 42.124 40.800 0.160 0.000 1.164 202 D HN 0.963 nan 8.370 nan 0.000 0.467 203 T N 0.679 115.224 114.554 -0.015 0.000 3.069 203 T HA 0.373 4.723 4.350 0.000 0.000 0.252 203 T C 1.376 176.066 174.700 -0.017 0.000 1.053 203 T CA 0.136 62.103 62.100 -0.222 0.000 0.964 203 T CB 0.297 68.560 68.868 -1.009 0.000 1.005 203 T HN 0.694 nan 8.240 nan 0.000 0.532 204 G N 0.536 109.362 108.800 0.044 0.000 2.192 204 G HA2 -0.196 3.764 3.960 0.000 0.000 0.193 204 G HA3 -0.196 3.764 3.960 0.000 0.000 0.193 204 G C 0.158 174.997 174.900 -0.103 0.000 0.999 204 G CA -0.162 44.919 45.100 -0.032 0.000 0.659 204 G HN 0.518 nan 8.290 nan 0.000 0.503 205 Y N 1.257 121.630 120.300 0.120 0.000 2.555 205 Y HA 0.469 5.019 4.550 0.000 0.000 0.259 205 Y C 1.560 177.643 175.900 0.304 0.000 1.179 205 Y CA 0.703 58.929 58.100 0.211 0.000 1.230 205 Y CB 0.903 39.476 38.460 0.188 0.000 1.146 205 Y HN 1.067 nan 8.280 nan 0.000 0.526 206 G N 0.783 109.772 108.800 0.314 0.000 2.730 206 G HA2 0.075 4.035 3.960 0.000 0.000 0.686 206 G HA3 0.075 4.035 3.960 0.000 0.000 0.686 206 G C -0.655 174.426 174.900 0.303 0.000 1.343 206 G CA -0.663 44.588 45.100 0.252 0.000 0.826 206 G HN 0.537 nan 8.290 nan 0.000 0.582 207 A N 1.227 124.195 122.820 0.247 0.000 2.582 207 A HA 0.805 5.125 4.320 0.000 0.000 0.336 207 A C 0.498 178.216 177.584 0.223 0.000 1.445 207 A CA 0.858 53.047 52.037 0.255 0.000 0.997 207 A CB -0.546 18.612 19.000 0.262 0.000 1.148 207 A HN 1.975 nan 8.150 nan 0.000 0.514 208 M N -0.264 119.335 119.600 -0.001 0.000 2.843 208 M HA 0.556 5.037 4.480 0.000 0.000 0.273 208 M C -1.385 174.759 176.300 -0.261 0.000 1.286 208 M CA -0.868 54.381 55.300 -0.085 0.000 0.807 208 M CB 1.397 33.859 32.600 -0.230 0.000 1.684 208 M HN 0.177 nan 8.290 nan 0.000 0.458 209 D N 0.791 121.145 120.400 -0.076 0.000 2.522 209 D HA 0.323 4.963 4.640 0.000 0.000 0.218 209 D C 0.017 176.267 176.300 -0.084 0.000 1.149 209 D CA -0.229 53.762 54.000 -0.015 0.000 0.981 209 D CB -0.288 40.585 40.800 0.122 0.000 1.041 209 D HN 0.547 nan 8.370 nan 0.000 0.518 210 F N 1.073 121.079 119.950 0.094 0.000 2.307 210 F HA -0.205 4.322 4.527 0.000 0.000 0.301 210 F C 2.701 178.532 175.800 0.052 0.000 1.076 210 F CA 1.072 59.111 58.000 0.065 0.000 1.383 210 F CB -0.382 38.645 39.000 0.045 0.000 1.055 210 F HN 0.355 nan 8.300 nan 0.000 0.526 211 S N -1.029 114.790 115.700 0.198 0.000 2.428 211 S HA -0.141 4.329 4.470 0.000 0.000 0.230 211 S C 1.792 176.444 174.600 0.088 0.000 1.014 211 S CA 1.323 59.601 58.200 0.130 0.000 0.957 211 S CB -0.945 62.318 63.200 0.105 0.000 0.784 211 S HN 0.471 nan 8.310 nan 0.000 0.499 212 T N -2.410 112.188 114.554 0.074 0.000 3.010 212 T HA 0.409 4.759 4.350 0.000 0.000 0.257 212 T C 1.119 175.842 174.700 0.039 0.000 1.020 212 T CA -0.238 61.893 62.100 0.051 0.000 0.938 212 T CB 0.031 68.928 68.868 0.049 0.000 1.049 212 T HN 0.222 nan 8.240 nan 0.000 0.522 213 L N 0.490 121.734 121.223 0.036 0.000 2.609 213 L HA 0.480 4.820 4.340 0.000 0.000 0.230 213 L C 0.478 177.370 176.870 0.036 0.000 1.087 213 L CA 0.651 55.503 54.840 0.019 0.000 0.874 213 L CB 0.161 42.209 42.059 -0.018 0.000 1.114 213 L HN 0.314 nan 8.230 nan 0.000 0.488 214 Q N -0.514 119.328 119.800 0.070 0.000 2.363 214 Q HA 0.180 4.520 4.340 0.000 0.000 0.265 214 Q C -0.269 175.762 176.000 0.052 0.000 1.032 214 Q CA -0.289 55.557 55.803 0.072 0.000 0.746 214 Q CB 1.493 30.309 28.738 0.131 0.000 1.237 214 Q HN 0.003 nan 8.270 nan 0.000 0.475 215 D N 0.445 120.859 120.400 0.024 0.000 2.224 215 D HA -0.104 4.536 4.640 0.000 0.000 0.205 215 D C 1.296 177.598 176.300 0.003 0.000 0.965 215 D CA 1.205 55.214 54.000 0.014 0.000 0.852 215 D CB 0.377 41.178 40.800 0.001 0.000 0.947 215 D HN 0.438 nan 8.370 nan 0.000 0.494 216 T N 0.418 114.965 114.554 -0.011 0.000 2.788 216 T HA -0.136 4.214 4.350 0.000 0.000 0.268 216 T C 0.872 175.559 174.700 -0.021 0.000 1.044 216 T CA 0.934 63.012 62.100 -0.037 0.000 1.139 216 T CB -0.128 68.696 68.868 -0.074 0.000 0.867 216 T HN 0.176 nan 8.240 nan 0.000 0.454 217 K N -0.965 119.439 120.400 0.006 0.000 3.129 217 K HA -0.154 4.166 4.320 0.000 0.000 0.273 217 K C -0.220 176.394 176.600 0.024 0.000 1.123 217 K CA 0.418 56.735 56.287 0.051 0.000 0.800 217 K CB -2.217 30.330 32.500 0.078 0.000 1.238 217 K HN 0.454 nan 8.250 nan 0.000 0.492 218 C N -0.494 118.726 119.300 -0.134 0.000 3.725 218 C HA 0.119 4.579 4.460 0.000 0.000 0.294 218 C C 1.266 175.989 174.990 -0.445 0.000 2.443 218 C CA -0.710 58.067 59.018 -0.402 0.000 1.613 218 C CB 0.179 27.704 27.740 -0.358 0.000 3.378 218 C HN 0.353 nan 8.230 nan 0.000 0.406 219 E N 1.376 121.397 120.200 -0.299 0.000 2.400 219 E HA 0.141 4.491 4.350 0.000 0.000 0.195 219 E C 0.680 177.067 176.600 -0.354 0.000 1.012 219 E CA 0.821 57.017 56.400 -0.340 0.000 0.875 219 E CB 0.680 30.312 29.700 -0.112 0.000 0.859 219 E HN 0.637 nan 8.360 nan 0.000 0.498 220 V N -2.477 117.259 119.914 -0.296 0.000 3.114 220 V HA 0.535 4.655 4.120 0.000 0.000 0.308 220 V C -2.933 173.095 176.094 -0.109 0.000 1.168 220 V CA -3.064 58.992 62.300 -0.407 0.000 1.015 220 V CB 1.738 33.043 31.823 -0.864 0.000 1.050 220 V HN -0.286 nan 8.190 nan 0.000 0.433 221 P HA 0.032 nan 4.420 nan 0.000 0.269 221 P C 0.740 178.050 177.300 0.016 0.000 1.200 221 P CA 0.100 63.212 63.100 0.021 0.000 0.779 221 P CB 0.357 32.082 31.700 0.042 0.000 0.841 222 L N 2.420 123.597 121.223 -0.075 0.000 2.042 222 L HA -0.217 4.123 4.340 0.000 0.000 0.210 222 L C 1.637 178.526 176.870 0.032 0.000 1.076 222 L CA 2.263 57.035 54.840 -0.112 0.000 0.749 222 L CB -1.390 40.519 42.059 -0.249 0.000 0.893 222 L HN 0.474 nan 8.230 nan 0.000 0.432 223 D N -1.159 119.286 120.400 0.076 0.000 2.312 223 D HA -0.161 4.479 4.640 0.000 0.000 0.211 223 D C 1.580 177.949 176.300 0.114 0.000 0.964 223 D CA 1.323 55.433 54.000 0.184 0.000 0.877 223 D CB -0.376 40.612 40.800 0.313 0.000 0.924 223 D HN 0.584 nan 8.370 nan 0.000 0.515 224 I N -3.443 117.132 120.570 0.007 0.000 4.081 224 I HA 0.313 4.483 4.170 0.000 0.000 0.333 224 I C 1.620 177.663 176.117 -0.124 0.000 1.413 224 I CA -0.754 60.500 61.300 -0.076 0.000 1.110 224 I CB -0.058 37.781 38.000 -0.268 0.000 1.082 224 I HN 0.030 nan 8.210 nan 0.000 0.402 225 C N 1.751 121.018 119.300 -0.056 0.000 2.367 225 C HA -0.165 4.295 4.460 0.000 0.000 0.276 225 C C 2.257 177.297 174.990 0.084 0.000 1.195 225 C CA 1.626 60.642 59.018 -0.003 0.000 1.756 225 C CB -0.586 27.189 27.740 0.058 0.000 2.046 225 C HN 0.650 nan 8.230 nan 0.000 0.453 226 Q N 0.524 120.385 119.800 0.101 0.000 2.175 226 Q HA 0.310 4.650 4.340 0.000 0.000 0.225 226 Q C 0.431 176.509 176.000 0.131 0.000 0.837 226 Q CA 0.048 55.922 55.803 0.118 0.000 1.032 226 Q CB 0.886 29.674 28.738 0.085 0.000 1.137 226 Q HN 0.673 nan 8.270 nan 0.000 0.483 227 S N -0.131 115.665 115.700 0.160 0.000 2.713 227 S HA 0.666 5.136 4.470 0.000 0.000 0.296 227 S C 0.120 174.841 174.600 0.202 0.000 1.114 227 S CA -0.530 57.762 58.200 0.153 0.000 0.997 227 S CB 1.082 64.366 63.200 0.140 0.000 1.249 227 S HN 0.142 nan 8.310 nan 0.000 0.534 228 I N 0.554 121.207 120.570 0.138 0.000 2.478 228 I HA 0.324 4.494 4.170 0.000 0.000 0.287 228 I C -1.274 174.900 176.117 0.096 0.000 1.042 228 I CA -0.264 61.078 61.300 0.070 0.000 1.067 228 I CB 1.536 39.453 38.000 -0.138 0.000 1.233 228 I HN 0.495 nan 8.210 nan 0.000 0.431 229 C N 5.849 125.263 119.300 0.190 0.000 2.273 229 C HA 0.493 4.953 4.460 0.000 0.000 0.328 229 C C 0.349 175.454 174.990 0.192 0.000 1.275 229 C CA -0.856 58.308 59.018 0.243 0.000 1.704 229 C CB -0.230 27.737 27.740 0.377 0.000 2.326 229 C HN 0.670 nan 8.230 nan 0.000 0.517 230 K N 1.774 122.301 120.400 0.212 0.000 2.185 230 K HA 0.603 4.923 4.320 0.000 0.000 0.240 230 K C -1.300 175.525 176.600 0.374 0.000 0.983 230 K CA -0.603 55.796 56.287 0.187 0.000 0.873 230 K CB 1.808 34.298 32.500 -0.016 0.000 1.118 230 K HN 0.620 nan 8.250 nan 0.000 0.441 231 Y N 1.112 121.496 120.300 0.139 0.000 2.442 231 Y HA 0.304 4.854 4.550 0.000 0.000 0.344 231 Y C -2.705 173.210 175.900 0.024 0.000 0.976 231 Y CA -2.598 55.606 58.100 0.173 0.000 1.040 231 Y CB 1.721 40.284 38.460 0.171 0.000 1.228 231 Y HN 0.396 nan 8.280 nan 0.000 0.451 232 P HA -0.051 nan 4.420 nan 0.000 0.263 232 P C -0.610 176.284 177.300 -0.676 0.000 1.175 232 P CA 0.561 63.207 63.100 -0.758 0.000 0.761 232 P CB 0.512 31.440 31.700 -1.287 0.000 0.794 233 D N 2.674 122.824 120.400 -0.415 0.000 2.767 233 D HA 0.046 4.686 4.640 0.000 0.000 0.241 233 D C 0.645 176.849 176.300 -0.160 0.000 1.187 233 D CA -0.291 53.597 54.000 -0.187 0.000 0.999 233 D CB -0.442 40.288 40.800 -0.117 0.000 1.042 233 D HN 0.283 nan 8.370 nan 0.000 0.510 234 Y N 0.468 120.722 120.300 -0.077 0.000 2.181 234 Y HA -0.264 4.286 4.550 0.000 0.000 0.284 234 Y C 2.329 178.216 175.900 -0.021 0.000 1.179 234 Y CA 0.921 58.989 58.100 -0.054 0.000 1.179 234 Y CB -0.216 38.215 38.460 -0.048 0.000 0.973 234 Y HN 0.279 nan 8.280 nan 0.000 0.519 235 L N -0.231 121.091 121.223 0.165 0.000 1.989 235 L HA -0.310 4.030 4.340 0.000 0.000 0.211 235 L C 2.696 179.597 176.870 0.051 0.000 1.071 235 L CA 2.136 57.035 54.840 0.099 0.000 0.749 235 L CB -0.657 41.456 42.059 0.090 0.000 0.890 235 L HN 0.305 nan 8.230 nan 0.000 0.431 236 Q N -0.098 119.715 119.800 0.023 0.000 2.119 236 Q HA -0.203 4.137 4.340 0.000 0.000 0.201 236 Q C 2.227 178.225 176.000 -0.003 0.000 0.972 236 Q CA 1.515 57.318 55.803 -0.000 0.000 0.847 236 Q CB -0.076 28.647 28.738 -0.025 0.000 0.903 236 Q HN 0.440 nan 8.270 nan 0.000 0.433 237 M N -0.117 119.475 119.600 -0.014 0.000 2.374 237 M HA -0.078 4.402 4.480 0.000 0.000 0.264 237 M C 1.876 178.189 176.300 0.022 0.000 1.067 237 M CA 1.107 56.399 55.300 -0.014 0.000 1.103 237 M CB 0.191 32.760 32.600 -0.052 0.000 1.402 237 M HN 0.186 nan 8.290 nan 0.000 0.444 238 S N 0.336 116.058 115.700 0.038 0.000 2.446 238 S HA 0.098 4.568 4.470 0.000 0.000 0.225 238 S C 1.947 176.561 174.600 0.025 0.000 1.016 238 S CA 0.882 59.106 58.200 0.040 0.000 0.943 238 S CB -0.026 63.203 63.200 0.048 0.000 0.786 238 S HN 0.533 nan 8.310 nan 0.000 0.508 239 A N 1.206 124.040 122.820 0.022 0.000 2.123 239 A HA 0.117 4.437 4.320 0.000 0.000 0.214 239 A C 0.708 178.301 177.584 0.015 0.000 1.152 239 A CA 0.030 52.076 52.037 0.015 0.000 0.728 239 A CB -0.368 18.640 19.000 0.013 0.000 0.814 239 A HN 0.398 nan 8.150 nan 0.000 0.464 240 D N 0.762 121.176 120.400 0.023 0.000 2.583 240 D HA 0.019 4.659 4.640 0.000 0.000 0.232 240 D C -0.618 175.706 176.300 0.039 0.000 1.128 240 D CA -0.622 53.399 54.000 0.035 0.000 0.859 240 D CB 0.916 41.750 40.800 0.057 0.000 1.169 240 D HN 0.159 nan 8.370 nan 0.000 0.481 241 P HA -0.222 nan 4.420 nan 0.000 0.213 241 P C 1.035 178.326 177.300 -0.014 0.000 1.170 241 P CA 1.553 64.600 63.100 -0.089 0.000 0.898 241 P CB -0.110 31.415 31.700 -0.293 0.000 0.787 242 Y N -0.261 120.147 120.300 0.179 0.000 2.220 242 Y HA 0.145 4.695 4.550 0.000 0.000 0.291 242 Y C 1.936 178.003 175.900 0.277 0.000 1.129 242 Y CA 0.996 59.239 58.100 0.239 0.000 1.161 242 Y CB -0.803 37.761 38.460 0.173 0.000 0.997 242 Y HN 0.113 nan 8.280 nan 0.000 0.522 243 G N 0.493 109.497 108.800 0.341 0.000 2.212 243 G HA2 -0.237 3.723 3.960 0.000 0.000 0.255 243 G HA3 -0.237 3.723 3.960 0.000 0.000 0.255 243 G C 0.105 175.176 174.900 0.286 0.000 1.062 243 G CA 0.421 45.678 45.100 0.262 0.000 0.815 243 G HN 0.371 nan 8.290 nan 0.000 0.497 244 D N 0.023 120.582 120.400 0.264 0.000 2.348 244 D HA 0.079 4.719 4.640 0.000 0.000 0.211 244 D C 2.335 178.642 176.300 0.011 0.000 0.998 244 D CA 0.960 55.100 54.000 0.234 0.000 0.873 244 D CB 0.077 41.044 40.800 0.278 0.000 0.925 244 D HN 0.401 nan 8.370 nan 0.000 0.524 245 S N 0.446 116.137 115.700 -0.014 0.000 2.402 245 S HA -0.059 4.411 4.470 0.000 0.000 0.229 245 S C 1.119 175.608 174.600 -0.185 0.000 1.021 245 S CA 0.689 58.817 58.200 -0.120 0.000 0.974 245 S CB -0.109 63.044 63.200 -0.079 0.000 0.800 245 S HN 0.441 nan 8.310 nan 0.000 0.484 246 M N -0.583 118.927 119.600 -0.149 0.000 2.331 246 M HA 0.412 4.892 4.480 0.000 0.000 0.249 246 M C -1.357 174.938 176.300 -0.008 0.000 1.010 246 M CA -0.689 54.510 55.300 -0.169 0.000 0.939 246 M CB 0.660 33.225 32.600 -0.058 0.000 2.126 246 M HN -0.002 nan 8.290 nan 0.000 0.472 247 F N 1.344 121.396 119.950 0.170 0.000 2.735 247 F HA 0.760 5.287 4.527 0.000 0.000 0.304 247 F C -1.037 174.927 175.800 0.274 0.000 1.119 247 F CA -1.406 56.701 58.000 0.178 0.000 1.280 247 F CB -0.022 39.074 39.000 0.160 0.000 0.994 247 F HN 0.519 nan 8.300 nan 0.000 0.520 248 F N 1.240 121.358 119.950 0.281 0.000 2.652 248 F HA 0.509 5.036 4.527 0.000 0.000 0.320 248 F C -1.886 173.977 175.800 0.104 0.000 1.115 248 F CA -1.569 56.555 58.000 0.207 0.000 1.053 248 F CB 0.901 40.066 39.000 0.276 0.000 1.297 248 F HN 0.137 nan 8.300 nan 0.000 0.471 249 C N 7.622 126.612 119.300 -0.516 0.000 2.811 249 C HA 0.881 5.341 4.460 0.000 0.000 0.352 249 C C -2.287 172.412 174.990 -0.485 0.000 1.098 249 C CA -0.557 58.270 59.018 -0.318 0.000 1.295 249 C CB 0.534 28.240 27.740 -0.055 0.000 1.758 249 C HN 0.794 nan 8.230 nan 0.000 0.488 250 L N 6.232 127.248 121.223 -0.345 0.000 2.438 250 L HA 0.796 5.137 4.340 0.000 0.000 0.270 250 L C -0.099 176.682 176.870 -0.148 0.000 0.972 250 L CA -0.097 54.544 54.840 -0.332 0.000 0.831 250 L CB 1.863 43.653 42.059 -0.448 0.000 1.273 250 L HN 0.894 nan 8.230 nan 0.000 0.405 251 R N 2.170 122.588 120.500 -0.137 0.000 2.808 251 R HA 0.957 5.297 4.340 0.000 0.000 0.272 251 R C -1.006 175.255 176.300 -0.064 0.000 0.995 251 R CA -1.122 54.944 56.100 -0.056 0.000 0.917 251 R CB 2.234 32.499 30.300 -0.059 0.000 1.217 251 R HN 0.486 nan 8.270 nan 0.000 0.471 252 R N 1.377 121.871 120.500 -0.011 0.000 2.879 252 R HA 0.128 4.468 4.340 0.000 0.000 0.291 252 R C -1.602 174.725 176.300 0.045 0.000 1.246 252 R CA -0.284 55.813 56.100 -0.005 0.000 1.083 252 R CB 1.190 31.466 30.300 -0.039 0.000 1.274 252 R HN 0.976 nan 8.270 nan 0.000 0.393 253 E N 3.706 123.945 120.200 0.064 0.000 2.339 253 E HA 0.513 4.863 4.350 0.000 0.000 0.262 253 E C -1.352 175.296 176.600 0.079 0.000 0.934 253 E CA -1.078 55.379 56.400 0.095 0.000 0.802 253 E CB 2.600 32.380 29.700 0.134 0.000 1.275 253 E HN 0.567 nan 8.360 nan 0.000 0.427 254 Q N 0.629 120.485 119.800 0.094 0.000 2.574 254 Q HA 0.488 4.828 4.340 0.000 0.000 0.265 254 Q C -1.508 174.560 176.000 0.114 0.000 0.975 254 Q CA -1.091 54.767 55.803 0.093 0.000 0.923 254 Q CB 1.381 30.170 28.738 0.086 0.000 1.518 254 Q HN 0.612 nan 8.270 nan 0.000 0.401 255 L N -1.052 120.247 121.223 0.126 0.000 3.041 255 L HA 0.900 5.240 4.340 0.000 0.000 0.278 255 L C -1.729 175.277 176.870 0.228 0.000 1.051 255 L CA -0.847 54.074 54.840 0.135 0.000 0.957 255 L CB 0.730 42.820 42.059 0.052 0.000 1.538 255 L HN 1.125 nan 8.230 nan 0.000 0.393 256 F N -1.142 118.816 119.950 0.012 0.000 2.741 256 F HA 0.898 5.425 4.527 0.000 0.000 0.311 256 F C -1.000 174.801 175.800 0.002 0.000 1.149 256 F CA -0.615 57.387 58.000 0.004 0.000 0.930 256 F CB 0.976 39.975 39.000 -0.002 0.000 1.312 256 F HN 0.908 nan 8.300 nan 0.000 0.450 257 A N 2.673 125.585 122.820 0.153 0.000 2.302 257 A HA 0.586 4.906 4.320 0.000 0.000 0.295 257 A C 0.836 178.417 177.584 -0.005 0.000 1.235 257 A CA -0.320 51.748 52.037 0.052 0.000 0.876 257 A CB 0.694 19.867 19.000 0.288 0.000 1.133 257 A HN 0.939 nan 8.150 nan 0.000 0.533 258 R N 1.734 122.052 120.500 -0.304 0.000 2.052 258 R HA 0.102 4.442 4.340 0.000 0.000 0.224 258 R C -0.204 175.739 176.300 -0.596 0.000 1.149 258 R CA 1.511 57.418 56.100 -0.321 0.000 0.962 258 R CB -0.144 30.000 30.300 -0.260 0.000 0.856 258 R HN 0.841 nan 8.270 nan 0.000 0.433 259 H N -1.774 116.998 119.070 -0.496 0.000 2.690 259 H HA 0.378 4.934 4.556 0.000 0.000 0.368 259 H C -1.253 173.700 175.328 -0.625 0.000 1.150 259 H CA -0.608 54.980 56.048 -0.766 0.000 1.174 259 H CB 1.521 30.685 29.762 -0.997 0.000 1.684 259 H HN 0.008 nan 8.280 nan 0.000 0.538 260 F N 2.357 122.001 119.950 -0.509 0.000 2.411 260 F HA 0.291 4.818 4.527 0.000 0.000 0.352 260 F C -0.475 175.205 175.800 -0.200 0.000 1.123 260 F CA -0.772 57.043 58.000 -0.308 0.000 1.044 260 F CB 1.166 40.078 39.000 -0.148 0.000 1.135 260 F HN 0.217 nan 8.300 nan 0.000 0.461 261 W N 1.504 123.025 121.300 0.369 0.000 2.967 261 W HA 0.350 5.010 4.660 0.000 0.000 0.342 261 W C -0.652 176.032 176.519 0.276 0.000 1.162 261 W CA -1.141 56.380 57.345 0.293 0.000 1.085 261 W CB 1.276 30.899 29.460 0.271 0.000 1.460 261 W HN 0.413 nan 8.180 nan 0.000 0.584 262 N N 0.273 119.248 118.700 0.460 0.000 2.518 262 N HA 0.496 5.236 4.740 0.000 0.000 0.284 262 N C -0.772 174.800 175.510 0.105 0.000 1.230 262 N CA -0.652 52.518 53.050 0.200 0.000 0.941 262 N CB 1.220 39.791 38.487 0.140 0.000 1.219 262 N HN -0.042 nan 8.380 nan 0.000 0.560 263 R N 0.860 121.351 120.500 -0.015 0.000 2.480 263 R HA 0.441 4.781 4.340 0.000 0.000 0.306 263 R C -0.974 175.284 176.300 -0.070 0.000 0.958 263 R CA -0.633 55.436 56.100 -0.051 0.000 0.861 263 R CB 1.460 31.722 30.300 -0.064 0.000 1.171 263 R HN 0.596 nan 8.270 nan 0.000 0.445 264 A N 1.204 123.977 122.820 -0.078 0.000 2.351 264 A HA 0.723 5.043 4.320 0.000 0.000 0.257 264 A C 0.522 178.062 177.584 -0.073 0.000 1.087 264 A CA 0.672 52.667 52.037 -0.070 0.000 0.798 264 A CB 0.465 19.421 19.000 -0.073 0.000 1.033 264 A HN 0.864 nan 8.150 nan 0.000 0.488 265 G N -0.410 108.352 108.800 -0.063 0.000 2.354 265 G HA2 0.467 4.427 3.960 0.000 0.000 0.582 265 G HA3 0.467 4.427 3.960 0.000 0.000 0.582 265 G C -0.259 174.609 174.900 -0.054 0.000 1.316 265 G CA -0.092 44.973 45.100 -0.058 0.000 0.995 265 G HN 1.955 nan 8.290 nan 0.000 0.573 266 T N -0.938 113.588 114.554 -0.047 0.000 2.909 266 T HA 0.613 4.963 4.350 0.000 0.000 0.289 266 T C 0.818 175.491 174.700 -0.046 0.000 1.005 266 T CA -0.658 61.417 62.100 -0.042 0.000 1.084 266 T CB 1.093 69.942 68.868 -0.033 0.000 0.975 266 T HN 0.601 nan 8.240 nan 0.000 0.509 267 M N 3.321 122.894 119.600 -0.046 0.000 2.227 267 M HA 0.223 4.703 4.480 0.000 0.000 0.349 267 M C 1.661 177.940 176.300 -0.034 0.000 1.443 267 M CA -0.336 54.935 55.300 -0.048 0.000 1.110 267 M CB 0.242 32.811 32.600 -0.052 0.000 1.773 267 M HN 1.086 nan 8.290 nan 0.000 0.463 268 G N 3.574 112.353 108.800 -0.035 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 0.244 175.132 174.900 -0.020 0.000 1.201 268 G CA 0.323 45.407 45.100 -0.026 0.000 0.784 268 G HN 0.635 nan 8.290 nan 0.000 0.545 269 D N 1.209 121.596 120.400 -0.022 0.000 2.277 269 D HA 0.334 4.974 4.640 0.000 0.000 0.249 269 D C -0.207 176.088 176.300 -0.007 0.000 1.134 269 D CA 0.185 54.177 54.000 -0.013 0.000 0.863 269 D CB 1.363 42.155 40.800 -0.015 0.000 1.143 269 D HN -0.016 nan 8.370 nan 0.000 0.458 270 T N 0.829 115.387 114.554 0.005 0.000 2.780 270 T HA 0.182 4.532 4.350 0.000 0.000 0.294 270 T C 0.737 175.463 174.700 0.044 0.000 0.949 270 T CA -0.728 61.384 62.100 0.020 0.000 1.074 270 T CB 1.080 69.965 68.868 0.027 0.000 0.910 270 T HN 0.043 nan 8.240 nan 0.000 0.501 271 V N 6.576 126.525 119.914 0.058 0.000 2.452 271 V HA 0.074 4.194 4.120 0.000 0.000 0.286 271 V C -1.790 174.422 176.094 0.196 0.000 0.995 271 V CA -1.311 61.053 62.300 0.107 0.000 1.116 271 V CB -0.676 31.192 31.823 0.074 0.000 0.954 271 V HN 0.747 nan 8.190 nan 0.000 0.473 272 P HA -0.001 nan 4.420 nan 0.000 0.261 272 P C 0.859 178.217 177.300 0.096 0.000 1.183 272 P CA 0.201 63.355 63.100 0.091 0.000 0.761 272 P CB 0.380 32.114 31.700 0.057 0.000 0.785 273 Q N 1.697 121.478 119.800 -0.033 0.000 2.364 273 Q HA -0.115 4.225 4.340 0.000 0.000 0.209 273 Q C 1.379 177.164 176.000 -0.359 0.000 0.977 273 Q CA 1.616 57.206 55.803 -0.354 0.000 0.885 273 Q CB -0.232 28.341 28.738 -0.275 0.000 0.941 273 Q HN 0.579 nan 8.270 nan 0.000 0.464 274 S N -0.774 114.843 115.700 -0.137 0.000 2.660 274 S HA 0.077 4.547 4.470 0.000 0.000 0.223 274 S C 1.463 176.036 174.600 -0.045 0.000 0.963 274 S CA 0.106 58.250 58.200 -0.094 0.000 0.932 274 S CB -0.069 63.106 63.200 -0.041 0.000 0.775 274 S HN 0.276 nan 8.310 nan 0.000 0.531 275 L N 0.371 121.593 121.223 -0.002 0.000 2.693 275 L HA 0.414 4.754 4.340 0.000 0.000 0.235 275 L C -0.039 176.968 176.870 0.228 0.000 1.127 275 L CA -0.380 54.532 54.840 0.120 0.000 0.914 275 L CB 0.019 42.185 42.059 0.178 0.000 1.193 275 L HN 0.605 nan 8.230 nan 0.000 0.502 276 Y N -2.998 117.308 120.300 0.011 0.000 2.750 276 Y HA 0.569 5.119 4.550 0.000 0.000 0.335 276 Y C -1.186 174.720 175.900 0.010 0.000 1.252 276 Y CA -1.666 56.442 58.100 0.013 0.000 1.064 276 Y CB 0.825 39.295 38.460 0.017 0.000 1.321 276 Y HN -0.327 nan 8.280 nan 0.000 0.451 277 I N 2.568 123.233 120.570 0.158 0.000 2.355 277 I HA 0.345 4.515 4.170 0.000 0.000 0.288 277 I C -0.053 176.164 176.117 0.168 0.000 0.999 277 I CA -1.335 59.997 61.300 0.053 0.000 1.163 277 I CB 1.137 39.169 38.000 0.054 0.000 1.316 277 I HN 0.661 nan 8.210 nan 0.000 0.454 278 K N 3.228 123.681 120.400 0.089 0.000 2.494 278 K HA 0.279 4.599 4.320 0.000 0.000 0.273 278 K C 0.682 177.351 176.600 0.115 0.000 0.970 278 K CA 0.236 56.622 56.287 0.165 0.000 0.963 278 K CB 0.794 33.344 32.500 0.083 0.000 0.913 278 K HN 0.902 nan 8.250 nan 0.000 0.502 279 G N 0.298 109.165 108.800 0.111 0.000 3.212 279 G HA2 0.513 4.473 3.960 0.000 0.000 0.188 279 G HA3 0.513 4.473 3.960 0.000 0.000 0.188 279 G C -0.868 174.064 174.900 0.053 0.000 1.254 279 G CA -0.443 44.699 45.100 0.070 0.000 0.957 279 G HN 0.603 nan 8.290 nan 0.000 0.596 280 T N -3.312 111.266 114.554 0.040 0.000 2.916 280 T HA 0.704 5.054 4.350 0.000 0.000 0.292 280 T C 0.813 175.529 174.700 0.027 0.000 1.064 280 T CA 0.480 62.599 62.100 0.031 0.000 1.011 280 T CB 1.280 70.163 68.868 0.025 0.000 1.152 280 T HN 2.324 nan 8.240 nan 0.000 0.510 281 G N 1.795 110.608 108.800 0.022 0.000 2.566 281 G HA2 -0.355 3.605 3.960 0.000 0.000 0.280 281 G HA3 -0.355 3.605 3.960 0.000 0.000 0.280 281 G C 0.985 175.896 174.900 0.018 0.000 1.225 281 G CA 1.100 46.211 45.100 0.018 0.000 0.966 281 G HN 1.573 nan 8.290 nan 0.000 0.560 282 M N -0.660 118.950 119.600 0.015 0.000 2.144 282 M HA 0.042 4.522 4.480 0.000 0.000 0.260 282 M C 2.236 178.543 176.300 0.013 0.000 1.067 282 M CA 2.606 57.913 55.300 0.012 0.000 1.095 282 M CB -0.304 32.303 32.600 0.012 0.000 1.365 282 M HN 0.416 nan 8.290 nan 0.000 0.406 283 R N 0.769 121.280 120.500 0.019 0.000 2.343 283 R HA 0.163 4.503 4.340 0.000 0.000 0.202 283 R C 2.035 178.357 176.300 0.035 0.000 1.023 283 R CA 0.407 56.520 56.100 0.021 0.000 1.084 283 R CB -0.265 30.051 30.300 0.027 0.000 0.956 283 R HN 0.630 nan 8.270 nan 0.000 0.478 284 A N -0.019 122.823 122.820 0.036 0.000 1.897 284 A HA -0.019 4.301 4.320 0.000 0.000 0.215 284 A C 1.141 178.771 177.584 0.076 0.000 1.181 284 A CA 0.891 52.961 52.037 0.055 0.000 0.620 284 A CB 0.158 19.183 19.000 0.041 0.000 0.821 284 A HN 0.215 nan 8.150 nan 0.000 0.443 285 S N 0.213 115.937 115.700 0.040 0.000 2.503 285 S HA 0.573 5.043 4.470 0.000 0.000 0.301 285 S C -2.893 171.677 174.600 -0.050 0.000 1.087 285 S CA -1.764 56.453 58.200 0.029 0.000 1.042 285 S CB 1.273 64.487 63.200 0.024 0.000 1.043 285 S HN 0.237 nan 8.310 nan 0.000 0.489 286 P HA 0.269 nan 4.420 nan 0.000 0.271 286 P C 0.441 177.666 177.300 -0.125 0.000 1.216 286 P CA -0.192 62.767 63.100 -0.235 0.000 0.776 286 P CB 0.497 31.925 31.700 -0.454 0.000 0.881 287 G N 1.360 110.100 108.800 -0.099 0.000 2.666 287 G HA2 0.173 4.133 3.960 0.000 0.000 0.207 287 G HA3 0.173 4.133 3.960 0.000 0.000 0.207 287 G C -0.283 174.561 174.900 -0.093 0.000 1.481 287 G CA -0.433 44.625 45.100 -0.069 0.000 1.071 287 G HN 0.581 nan 8.290 nan 0.000 0.572 288 S N -1.678 113.963 115.700 -0.098 0.000 2.531 288 S HA 0.202 4.673 4.470 0.000 0.000 0.279 288 S C 0.325 174.750 174.600 -0.293 0.000 1.305 288 S CA -0.625 57.478 58.200 -0.162 0.000 1.058 288 S CB -0.147 62.966 63.200 -0.146 0.000 0.899 288 S HN 0.523 nan 8.310 nan 0.000 0.493 289 C N 5.393 124.492 119.300 -0.335 0.000 2.660 289 C HA 0.402 4.862 4.460 0.000 0.000 0.265 289 C C -0.337 174.325 174.990 -0.547 0.000 1.573 289 C CA -0.767 57.972 59.018 -0.464 0.000 1.751 289 C CB -1.361 26.288 27.740 -0.151 0.000 3.033 289 C HN 0.625 nan 8.230 nan 0.000 0.511 290 V N 1.614 121.170 119.914 -0.597 0.000 2.325 290 V HA 0.370 4.490 4.120 0.000 0.000 0.280 290 V C -0.850 175.025 176.094 -0.365 0.000 1.016 290 V CA -0.375 61.722 62.300 -0.338 0.000 0.818 290 V CB -0.026 31.697 31.823 -0.167 0.000 1.019 290 V HN 0.468 nan 8.190 nan 0.000 0.434 291 Y N 2.192 122.511 120.300 0.032 0.000 2.361 291 Y HA 0.707 5.257 4.550 0.000 0.000 0.332 291 Y C 0.683 176.620 175.900 0.062 0.000 1.101 291 Y CA -0.626 57.506 58.100 0.054 0.000 1.137 291 Y CB 2.134 40.594 38.460 -0.001 0.000 1.207 291 Y HN 0.625 nan 8.280 nan 0.000 0.463 292 S N 2.948 118.818 115.700 0.283 0.000 2.614 292 S HA 0.598 5.068 4.470 0.000 0.000 0.275 292 S C -3.338 171.408 174.600 0.243 0.000 1.161 292 S CA -1.498 56.840 58.200 0.230 0.000 0.969 292 S CB 2.381 65.749 63.200 0.280 0.000 1.059 292 S HN 0.387 nan 8.310 nan 0.000 0.482 293 P HA 0.416 nan 4.420 nan 0.000 0.287 293 P C -0.473 176.812 177.300 -0.025 0.000 1.270 293 P CA -0.541 62.584 63.100 0.042 0.000 0.844 293 P CB 1.450 33.150 31.700 0.000 0.000 1.068 294 S N 2.146 117.777 115.700 -0.115 0.000 2.489 294 S HA 0.417 4.887 4.470 0.000 0.000 0.277 294 S C -1.962 172.525 174.600 -0.189 0.000 1.230 294 S CA -1.246 56.906 58.200 -0.081 0.000 1.053 294 S CB 0.143 63.284 63.200 -0.100 0.000 0.955 294 S HN 0.345 nan 8.310 nan 0.000 0.488 295 P HA 0.360 nan 4.420 nan 0.000 0.275 295 P C -0.452 176.693 177.300 -0.258 0.000 1.266 295 P CA -0.446 62.520 63.100 -0.223 0.000 0.793 295 P CB 0.861 32.463 31.700 -0.163 0.000 1.074 296 S N -1.402 114.109 115.700 -0.316 0.000 2.596 296 S HA 0.483 4.953 4.470 0.000 0.000 0.305 296 S C -0.810 173.643 174.600 -0.245 0.000 1.086 296 S CA -0.590 57.384 58.200 -0.377 0.000 0.909 296 S CB -0.164 62.564 63.200 -0.787 0.000 1.106 296 S HN 0.688 nan 8.310 nan 0.000 0.450 297 G N 2.509 111.302 108.800 -0.012 0.000 2.338 297 G HA2 0.527 4.487 3.960 0.000 0.000 0.298 297 G HA3 0.527 4.487 3.960 0.000 0.000 0.298 297 G C 0.530 175.550 174.900 0.200 0.000 1.140 297 G CA 0.014 45.186 45.100 0.121 0.000 0.860 297 G HN 0.800 nan 8.290 nan 0.000 0.470 298 S N 1.402 117.282 115.700 0.300 0.000 2.184 298 S HA 0.173 4.643 4.470 0.000 0.000 0.202 298 S C 1.010 175.706 174.600 0.160 0.000 1.373 298 S CA -0.326 58.049 58.200 0.293 0.000 1.117 298 S CB -0.220 63.092 63.200 0.186 0.000 0.715 298 S HN 0.368 nan 8.310 nan 0.000 0.427 299 I N 1.103 121.733 120.570 0.100 0.000 2.648 299 I HA 0.157 4.327 4.170 0.000 0.000 0.284 299 I C -0.083 176.074 176.117 0.068 0.000 1.153 299 I CA 0.385 61.726 61.300 0.069 0.000 1.426 299 I CB 0.878 38.900 38.000 0.037 0.000 1.381 299 I HN 0.214 nan 8.210 nan 0.000 0.571 300 V N 6.880 126.832 119.914 0.062 0.000 2.347 300 V HA 0.566 4.686 4.120 0.000 0.000 0.280 300 V C -0.154 175.966 176.094 0.043 0.000 1.021 300 V CA 0.104 62.439 62.300 0.058 0.000 0.847 300 V CB 1.403 33.265 31.823 0.065 0.000 0.990 300 V HN 0.865 nan 8.190 nan 0.000 0.444 301 T N 3.123 117.699 114.554 0.036 0.000 2.916 301 T HA 0.407 4.757 4.350 0.000 0.000 0.292 301 T C 1.163 175.877 174.700 0.023 0.000 1.064 301 T CA 0.148 62.263 62.100 0.026 0.000 1.011 301 T CB 1.957 70.836 68.868 0.019 0.000 1.152 301 T HN 1.000 nan 8.240 nan 0.000 0.510 302 S N 1.369 117.080 115.700 0.018 0.000 2.461 302 S HA -0.030 4.440 4.470 0.000 0.000 0.228 302 S C 1.242 175.848 174.600 0.010 0.000 1.005 302 S CA 0.682 58.891 58.200 0.016 0.000 0.942 302 S CB -0.284 62.923 63.200 0.012 0.000 0.776 302 S HN 0.760 nan 8.310 nan 0.000 0.514 303 D N 2.590 122.994 120.400 0.007 0.000 2.221 303 D HA -0.066 4.574 4.640 0.000 0.000 0.204 303 D C 1.527 177.828 176.300 0.001 0.000 0.982 303 D CA 1.598 55.600 54.000 0.003 0.000 0.857 303 D CB -0.276 40.526 40.800 0.003 0.000 0.934 303 D HN 0.691 nan 8.370 nan 0.000 0.475 304 S N -0.251 115.451 115.700 0.003 0.000 2.561 304 S HA 0.168 4.638 4.470 0.000 0.000 0.245 304 S C 0.469 175.061 174.600 -0.014 0.000 1.001 304 S CA -0.648 57.550 58.200 -0.003 0.000 1.002 304 S CB 0.579 63.781 63.200 0.003 0.000 0.805 304 S HN -0.096 nan 8.310 nan 0.000 0.458 305 Q N 0.941 120.734 119.800 -0.010 0.000 2.373 305 Q HA 0.469 4.809 4.340 0.000 0.000 0.255 305 Q C 0.367 176.324 176.000 -0.072 0.000 0.980 305 Q CA -0.211 55.579 55.803 -0.021 0.000 0.882 305 Q CB 1.098 29.844 28.738 0.014 0.000 1.249 305 Q HN 0.394 nan 8.270 nan 0.000 0.438 306 L N 2.544 123.641 121.223 -0.212 0.000 2.664 306 L HA 0.421 4.761 4.340 0.000 0.000 0.233 306 L C -0.707 175.928 176.870 -0.392 0.000 1.113 306 L CA 0.390 55.017 54.840 -0.355 0.000 0.896 306 L CB 0.284 41.964 42.059 -0.631 0.000 1.163 306 L HN 0.618 nan 8.230 nan 0.000 0.497 307 F N -1.005 119.007 119.950 0.103 0.000 2.629 307 F HA 0.315 4.842 4.527 0.000 0.000 0.386 307 F C 1.397 177.188 175.800 -0.014 0.000 1.135 307 F CA -0.770 57.273 58.000 0.072 0.000 1.116 307 F CB 0.335 39.357 39.000 0.038 0.000 1.426 307 F HN -0.155 nan 8.300 nan 0.000 0.501 308 N N -0.636 118.175 118.700 0.185 0.000 2.778 308 N HA -0.228 4.512 4.740 0.000 0.000 0.249 308 N C -1.112 174.359 175.510 -0.065 0.000 1.069 308 N CA 0.718 53.781 53.050 0.023 0.000 0.831 308 N CB -0.772 37.729 38.487 0.023 0.000 1.142 308 N HN 0.385 nan 8.380 nan 0.000 0.573 309 K N 0.313 120.636 120.400 -0.128 0.000 2.318 309 K HA 0.495 4.815 4.320 0.000 0.000 0.249 309 K C -2.605 173.650 176.600 -0.575 0.000 0.942 309 K CA -1.658 54.432 56.287 -0.328 0.000 0.808 309 K CB 2.265 34.533 32.500 -0.387 0.000 1.189 309 K HN -0.137 nan 8.250 nan 0.000 0.428 310 P HA 0.232 nan 4.420 nan 0.000 0.284 310 P C -1.432 175.134 177.300 -1.224 0.000 1.258 310 P CA -0.411 62.185 63.100 -0.840 0.000 0.824 310 P CB 0.736 31.985 31.700 -0.753 0.000 1.038 311 Y N -0.187 119.608 120.300 -0.840 0.000 2.457 311 Y HA 0.386 4.936 4.550 0.000 0.000 0.343 311 Y C -0.546 174.874 175.900 -0.800 0.000 0.994 311 Y CA -0.502 57.207 58.100 -0.651 0.000 1.031 311 Y CB 1.857 40.230 38.460 -0.145 0.000 1.246 311 Y HN 0.353 nan 8.280 nan 0.000 0.449 312 W N 4.578 125.990 121.300 0.186 0.000 2.417 312 W HA 0.619 5.279 4.660 0.000 0.000 0.315 312 W C -1.022 175.633 176.519 0.227 0.000 1.045 312 W CA -0.911 56.515 57.345 0.135 0.000 1.221 312 W CB 0.903 30.446 29.460 0.139 0.000 1.309 312 W HN 0.268 nan 8.180 nan 0.000 0.453 313 L N 5.752 127.155 121.223 0.299 0.000 2.395 313 L HA 0.101 4.441 4.340 0.000 0.000 0.268 313 L C 1.776 178.804 176.870 0.264 0.000 1.223 313 L CA -0.598 54.401 54.840 0.264 0.000 1.093 313 L CB -0.737 41.346 42.059 0.040 0.000 1.349 313 L HN 0.657 nan 8.230 nan 0.000 0.427 314 H N 1.733 120.935 119.070 0.220 0.000 2.270 314 H HA -0.012 4.544 4.556 0.000 0.000 0.299 314 H C -0.020 175.383 175.328 0.124 0.000 1.077 314 H CA 0.807 56.956 56.048 0.168 0.000 1.294 314 H CB -0.057 29.803 29.762 0.163 0.000 1.371 314 H HN 0.391 nan 8.280 nan 0.000 0.491 315 K N 0.413 120.382 120.400 -0.719 0.000 2.687 315 K HA 0.576 4.896 4.320 0.000 0.000 0.249 315 K C -0.802 175.598 176.600 -0.334 0.000 0.994 315 K CA -0.019 56.050 56.287 -0.363 0.000 0.913 315 K CB 2.814 35.202 32.500 -0.185 0.000 1.202 315 K HN 0.480 nan 8.250 nan 0.000 0.460 316 A N 1.801 124.552 122.820 -0.115 0.000 2.577 316 A HA -0.080 4.240 4.320 0.000 0.000 0.233 316 A C 1.242 178.851 177.584 0.042 0.000 1.076 316 A CA 0.453 52.508 52.037 0.029 0.000 0.767 316 A CB 0.246 19.309 19.000 0.105 0.000 1.017 316 A HN 0.878 nan 8.150 nan 0.000 0.511 317 Q N 1.085 120.943 119.800 0.098 0.000 2.163 317 Q HA 0.242 4.582 4.340 0.000 0.000 0.198 317 Q C 1.058 177.084 176.000 0.044 0.000 0.954 317 Q CA 1.270 57.111 55.803 0.064 0.000 0.851 317 Q CB -0.668 28.112 28.738 0.069 0.000 0.928 317 Q HN 0.818 nan 8.270 nan 0.000 0.459 318 G N -0.597 108.261 108.800 0.096 0.000 2.504 318 G HA2 0.140 4.100 3.960 0.000 0.000 0.257 318 G HA3 0.140 4.100 3.960 0.000 0.000 0.257 318 G C -0.197 174.748 174.900 0.074 0.000 1.451 318 G CA -0.073 45.067 45.100 0.066 0.000 1.059 318 G HN 0.431 nan 8.290 nan 0.000 0.550 319 H N -1.102 118.084 119.070 0.194 0.000 2.497 319 H HA 0.104 4.660 4.556 0.000 0.000 0.282 319 H C 0.729 176.195 175.328 0.230 0.000 1.003 319 H CA -0.160 56.010 56.048 0.204 0.000 1.307 319 H CB 0.422 30.331 29.762 0.244 0.000 1.437 319 H HN 0.238 nan 8.280 nan 0.000 0.544 320 N N 1.398 120.345 118.700 0.412 0.000 2.430 320 N HA -0.075 4.665 4.740 0.000 0.000 0.265 320 N C -0.775 174.859 175.510 0.207 0.000 1.100 320 N CA 0.122 53.391 53.050 0.365 0.000 0.961 320 N CB 0.485 39.276 38.487 0.507 0.000 1.075 320 N HN 0.238 nan 8.380 nan 0.000 0.478 321 N N 2.898 121.617 118.700 0.033 0.000 3.271 321 N HA 0.160 4.900 4.740 0.000 0.000 0.303 321 N C 0.469 175.775 175.510 -0.339 0.000 1.415 321 N CA 0.329 53.316 53.050 -0.105 0.000 1.159 321 N CB -0.449 38.001 38.487 -0.062 0.000 1.432 321 N HN 0.858 nan 8.380 nan 0.000 0.521 322 G N 0.093 108.409 108.800 -0.808 0.000 2.162 322 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 322 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 322 G C 0.096 174.661 174.900 -0.559 0.000 0.976 322 G CA 0.228 44.575 45.100 -1.254 0.000 0.655 322 G HN 0.323 nan 8.290 nan 0.000 0.533 323 V N 1.195 120.892 119.914 -0.362 0.000 2.446 323 V HA 0.226 4.346 4.120 0.000 0.000 0.276 323 V C 1.223 177.105 176.094 -0.353 0.000 1.030 323 V CA 0.043 62.098 62.300 -0.410 0.000 1.033 323 V CB 0.889 32.309 31.823 -0.672 0.000 0.993 323 V HN 0.443 nan 8.190 nan 0.000 0.477 324 C N 5.961 125.153 119.300 -0.181 0.000 2.145 324 C HA 0.275 4.735 4.460 0.000 0.000 0.374 324 C C 0.410 175.407 174.990 0.013 0.000 1.035 324 C CA -1.398 57.634 59.018 0.024 0.000 1.431 324 C CB -1.862 25.947 27.740 0.114 0.000 1.789 324 C HN 0.853 nan 8.230 nan 0.000 0.483 325 W N 1.859 123.311 121.300 0.253 0.000 2.181 325 W HA 0.279 4.939 4.660 0.000 0.000 0.335 325 W C 1.210 177.899 176.519 0.284 0.000 1.310 325 W CA 0.349 57.826 57.345 0.219 0.000 1.226 325 W CB -0.080 29.517 29.460 0.228 0.000 1.155 325 W HN 0.800 nan 8.180 nan 0.000 0.565 326 H N 0.250 119.508 119.070 0.313 0.000 3.237 326 H HA -0.255 4.301 4.556 0.000 0.000 0.231 326 H C 0.284 175.688 175.328 0.127 0.000 1.148 326 H CA 1.081 57.230 56.048 0.168 0.000 1.155 326 H CB -1.908 27.950 29.762 0.161 0.000 1.210 326 H HN 0.539 nan 8.280 nan 0.000 0.317 327 N N 0.155 118.977 118.700 0.203 0.000 2.714 327 N HA -0.210 4.530 4.740 0.000 0.000 0.253 327 N C -0.253 175.288 175.510 0.052 0.000 1.024 327 N CA 1.480 54.597 53.050 0.112 0.000 0.726 327 N CB -0.663 37.867 38.487 0.072 0.000 0.908 327 N HN 0.734 nan 8.380 nan 0.000 0.542 328 Q N -0.655 119.202 119.800 0.094 0.000 2.484 328 Q HA 0.795 5.135 4.340 0.000 0.000 0.285 328 Q C -1.149 174.866 176.000 0.025 0.000 1.097 328 Q CA -0.876 54.936 55.803 0.015 0.000 0.802 328 Q CB 2.438 31.244 28.738 0.114 0.000 1.444 328 Q HN 0.245 nan 8.270 nan 0.000 0.429 329 L N 1.016 122.164 121.223 -0.126 0.000 2.611 329 L HA 0.507 4.847 4.340 0.000 0.000 0.260 329 L C -2.119 174.640 176.870 -0.185 0.000 0.924 329 L CA -0.112 54.724 54.840 -0.008 0.000 0.901 329 L CB 1.596 43.635 42.059 -0.035 0.000 1.369 329 L HN 0.487 nan 8.230 nan 0.000 0.415 330 F N 4.563 124.458 119.950 -0.091 0.000 2.444 330 F HA 0.667 5.194 4.527 0.000 0.000 0.342 330 F C -0.105 175.680 175.800 -0.026 0.000 1.121 330 F CA -0.825 57.093 58.000 -0.136 0.000 0.997 330 F CB 2.025 40.864 39.000 -0.268 0.000 1.130 330 F HN 0.089 nan 8.300 nan 0.000 0.454 331 V N 2.949 122.983 119.914 0.200 0.000 2.313 331 V HA 0.372 4.492 4.120 0.000 0.000 0.278 331 V C -0.244 175.995 176.094 0.242 0.000 1.017 331 V CA -0.631 61.824 62.300 0.259 0.000 0.823 331 V CB 1.227 33.245 31.823 0.325 0.000 1.010 331 V HN 0.769 nan 8.190 nan 0.000 0.443 332 T N 4.827 119.496 114.554 0.191 0.000 2.767 332 T HA 0.672 5.022 4.350 0.000 0.000 0.284 332 T C -0.229 174.601 174.700 0.218 0.000 0.973 332 T CA -0.350 61.848 62.100 0.164 0.000 0.996 332 T CB 1.571 70.514 68.868 0.126 0.000 0.927 332 T HN 0.349 nan 8.240 nan 0.000 0.456 333 V N 3.445 123.474 119.914 0.192 0.000 2.876 333 V HA 0.698 4.818 4.120 0.000 0.000 0.312 333 V C -0.745 175.458 176.094 0.182 0.000 1.085 333 V CA -0.787 61.649 62.300 0.227 0.000 0.945 333 V CB 2.448 34.396 31.823 0.208 0.000 1.017 333 V HN 0.697 nan 8.190 nan 0.000 0.428 334 V N 2.495 122.539 119.914 0.216 0.000 2.668 334 V HA 0.591 4.711 4.120 0.000 0.000 0.304 334 V C -1.461 174.773 176.094 0.233 0.000 1.071 334 V CA -0.403 61.962 62.300 0.109 0.000 0.894 334 V CB 1.968 33.759 31.823 -0.053 0.000 1.008 334 V HN 1.022 nan 8.190 nan 0.000 0.425 335 D N 2.395 122.903 120.400 0.180 0.000 2.375 335 D HA 0.322 4.962 4.640 0.000 0.000 0.241 335 D C 0.610 176.948 176.300 0.063 0.000 1.361 335 D CA 0.190 54.323 54.000 0.221 0.000 0.995 335 D CB 1.872 42.831 40.800 0.264 0.000 1.312 335 D HN 0.612 nan 8.370 nan 0.000 0.576 336 T N -0.450 114.113 114.554 0.015 0.000 3.122 336 T HA 0.028 4.378 4.350 0.000 0.000 0.250 336 T C 1.434 176.115 174.700 -0.031 0.000 1.067 336 T CA 0.598 62.614 62.100 -0.139 0.000 0.966 336 T CB -0.153 68.603 68.868 -0.187 0.000 1.002 336 T HN 0.309 nan 8.240 nan 0.000 0.542 337 T N -0.224 114.357 114.554 0.045 0.000 3.160 337 T HA 0.210 4.560 4.350 0.000 0.000 0.257 337 T C 0.907 175.633 174.700 0.042 0.000 1.147 337 T CA -0.246 61.890 62.100 0.060 0.000 1.064 337 T CB -0.320 68.597 68.868 0.082 0.000 0.949 337 T HN 0.397 nan 8.240 nan 0.000 0.526 338 R N 1.372 121.887 120.500 0.025 0.000 2.629 338 R HA 0.305 4.645 4.340 0.000 0.000 0.277 338 R C 0.252 176.586 176.300 0.058 0.000 1.637 338 R CA -0.032 56.089 56.100 0.036 0.000 1.663 338 R CB 0.888 31.200 30.300 0.019 0.000 1.228 338 R HN 0.416 nan 8.270 nan 0.000 0.632 339 S N -1.659 114.036 115.700 -0.009 0.000 2.663 339 S HA -0.001 4.470 4.470 0.000 0.000 0.243 339 S C 0.684 175.189 174.600 -0.159 0.000 1.009 339 S CA -0.555 57.558 58.200 -0.145 0.000 0.988 339 S CB 0.269 63.370 63.200 -0.165 0.000 0.896 339 S HN 0.323 nan 8.310 nan 0.000 0.502 340 T N 2.211 116.752 114.554 -0.022 0.000 2.871 340 T HA 0.172 4.522 4.350 0.000 0.000 0.296 340 T C -0.287 174.412 174.700 -0.003 0.000 0.998 340 T CA -0.201 61.898 62.100 -0.002 0.000 1.162 340 T CB -0.265 68.623 68.868 0.034 0.000 0.947 340 T HN 0.449 nan 8.240 nan 0.000 0.536 341 N N 2.655 121.337 118.700 -0.029 0.000 2.444 341 N HA 0.355 5.095 4.740 0.000 0.000 0.262 341 N C -0.184 175.334 175.510 0.015 0.000 0.974 341 N CA -0.769 52.268 53.050 -0.021 0.000 0.933 341 N CB 1.053 39.485 38.487 -0.091 0.000 1.137 341 N HN 0.513 nan 8.380 nan 0.000 0.498 342 L N 1.643 122.890 121.223 0.041 0.000 2.506 342 L HA 0.085 4.425 4.340 0.000 0.000 0.281 342 L C 0.505 177.394 176.870 0.032 0.000 1.228 342 L CA 0.342 55.203 54.840 0.036 0.000 0.850 342 L CB 0.019 42.101 42.059 0.038 0.000 1.110 342 L HN 0.449 nan 8.230 nan 0.000 0.496 343 T N 3.725 118.304 114.554 0.041 0.000 2.786 343 T HA 0.634 4.984 4.350 0.000 0.000 0.283 343 T C -0.361 174.385 174.700 0.075 0.000 0.992 343 T CA -0.319 61.815 62.100 0.056 0.000 0.954 343 T CB 1.061 69.958 68.868 0.048 0.000 0.934 343 T HN 0.161 nan 8.240 nan 0.000 0.440 344 I N 3.282 123.920 120.570 0.113 0.000 2.569 344 I HA 0.672 4.842 4.170 0.000 0.000 0.296 344 I C -0.202 176.046 176.117 0.218 0.000 1.028 344 I CA -0.671 60.706 61.300 0.128 0.000 1.082 344 I CB 1.787 39.838 38.000 0.085 0.000 1.264 344 I HN 0.846 nan 8.210 nan 0.000 0.429 345 C N 3.216 122.641 119.300 0.207 0.000 2.931 345 C HA 0.972 5.432 4.460 0.000 0.000 0.370 345 C C -0.456 174.684 174.990 0.251 0.000 1.071 345 C CA -0.818 58.371 59.018 0.285 0.000 1.266 345 C CB 0.441 28.345 27.740 0.274 0.000 1.691 345 C HN 1.054 nan 8.230 nan 0.000 0.511 346 A N 2.652 125.613 122.820 0.236 0.000 2.384 346 A HA 0.988 5.308 4.320 0.000 0.000 0.312 346 A C 0.105 177.683 177.584 -0.009 0.000 1.113 346 A CA 0.040 52.140 52.037 0.106 0.000 0.779 346 A CB 1.339 20.373 19.000 0.057 0.000 1.307 346 A HN 2.085 nan 8.150 nan 0.000 0.436 347 S N -0.093 115.488 115.700 -0.198 0.000 2.646 347 S HA 0.444 4.914 4.470 0.000 0.000 0.276 347 S C 0.669 175.119 174.600 -0.251 0.000 1.222 347 S CA 0.268 58.177 58.200 -0.486 0.000 1.014 347 S CB 1.123 63.912 63.200 -0.684 0.000 0.991 347 S HN 0.606 nan 8.310 nan 0.000 0.533 348 T N 0.976 115.375 114.554 -0.260 0.000 2.896 348 T HA 0.045 4.395 4.350 0.000 0.000 0.263 348 T C 0.511 175.139 174.700 -0.120 0.000 1.050 348 T CA 0.872 62.891 62.100 -0.134 0.000 1.140 348 T CB -0.178 68.627 68.868 -0.105 0.000 0.877 348 T HN 0.562 nan 8.240 nan 0.000 0.457 349 Q N 1.076 120.781 119.800 -0.159 0.000 2.299 349 Q HA 0.339 4.680 4.340 0.000 0.000 0.246 349 Q C 1.282 177.224 176.000 -0.097 0.000 0.935 349 Q CA -0.061 55.676 55.803 -0.109 0.000 0.887 349 Q CB 1.305 29.980 28.738 -0.105 0.000 1.223 349 Q HN 0.128 nan 8.270 nan 0.000 0.439 350 S N 1.871 117.535 115.700 -0.061 0.000 2.348 350 S HA -0.026 4.444 4.470 0.000 0.000 0.219 350 S C -0.842 173.736 174.600 -0.037 0.000 1.033 350 S CA 0.596 58.769 58.200 -0.045 0.000 0.974 350 S CB -0.729 62.453 63.200 -0.030 0.000 0.868 350 S HN 0.490 nan 8.310 nan 0.000 0.459 351 P HA 0.143 nan 4.420 nan 0.000 0.228 351 P C -0.335 176.958 177.300 -0.012 0.000 1.151 351 P CA 0.463 63.553 63.100 -0.015 0.000 0.770 351 P CB -0.081 31.613 31.700 -0.010 0.000 0.786 352 V N -0.931 118.963 119.914 -0.033 0.000 5.534 352 V HA -0.119 4.002 4.120 0.000 0.000 0.325 352 V C -1.899 174.207 176.094 0.020 0.000 0.622 352 V CA -0.926 61.359 62.300 -0.024 0.000 1.198 352 V CB -2.276 29.555 31.823 0.014 0.000 1.407 352 V HN 0.307 nan 8.190 nan 0.000 0.477 353 P HA 0.053 nan 4.420 nan 0.000 0.264 353 P C 1.182 178.538 177.300 0.093 0.000 1.173 353 P CA 0.962 64.089 63.100 0.045 0.000 0.761 353 P CB 0.736 32.456 31.700 0.033 0.000 0.794 354 G N 0.880 109.726 108.800 0.076 0.000 2.985 354 G HA2 -0.024 3.936 3.960 0.000 0.000 0.209 354 G HA3 -0.024 3.936 3.960 0.000 0.000 0.209 354 G C 0.545 175.506 174.900 0.101 0.000 1.165 354 G CA 0.223 45.374 45.100 0.084 0.000 0.776 354 G HN 0.560 nan 8.290 nan 0.000 0.541 355 Q N -0.120 119.746 119.800 0.110 0.000 2.331 355 Q HA 0.477 4.817 4.340 0.000 0.000 0.267 355 Q C -1.422 174.683 176.000 0.174 0.000 1.006 355 Q CA -1.125 54.750 55.803 0.120 0.000 0.818 355 Q CB 1.249 30.033 28.738 0.077 0.000 1.276 355 Q HN 0.224 nan 8.270 nan 0.000 0.450 356 Y N 2.908 123.250 120.300 0.071 0.000 2.359 356 Y HA 0.423 4.973 4.550 0.000 0.000 0.330 356 Y C -0.849 175.097 175.900 0.078 0.000 1.143 356 Y CA 0.301 58.445 58.100 0.073 0.000 1.318 356 Y CB 0.940 39.398 38.460 -0.004 0.000 1.234 356 Y HN 0.674 nan 8.280 nan 0.000 0.522 357 D N 4.563 124.545 120.400 -0.697 0.000 2.354 357 D HA 0.281 4.922 4.640 0.000 0.000 0.230 357 D C 0.354 176.338 176.300 -0.527 0.000 1.361 357 D CA 0.205 53.910 54.000 -0.493 0.000 0.992 357 D CB 1.002 41.719 40.800 -0.138 0.000 1.409 357 D HN 0.729 nan 8.370 nan 0.000 0.573 358 A N 2.469 124.895 122.820 -0.657 0.000 1.940 358 A HA -0.266 4.054 4.320 0.000 0.000 0.221 358 A C 2.024 179.581 177.584 -0.044 0.000 1.190 358 A CA 2.855 54.712 52.037 -0.301 0.000 0.647 358 A CB -1.053 17.886 19.000 -0.100 0.000 0.821 358 A HN 0.696 nan 8.150 nan 0.000 0.457 359 T N -2.242 112.289 114.554 -0.039 0.000 2.929 359 T HA -0.067 4.283 4.350 0.000 0.000 0.271 359 T C 1.291 176.016 174.700 0.040 0.000 1.085 359 T CA 1.511 63.615 62.100 0.007 0.000 1.125 359 T CB -0.365 68.496 68.868 -0.013 0.000 0.874 359 T HN 0.597 nan 8.240 nan 0.000 0.494 360 K N 0.435 120.886 120.400 0.084 0.000 2.504 360 K HA 0.293 4.613 4.320 0.000 0.000 0.199 360 K C -0.913 175.627 176.600 -0.100 0.000 1.028 360 K CA -0.134 56.154 56.287 0.002 0.000 1.164 360 K CB 0.036 32.504 32.500 -0.053 0.000 0.877 360 K HN 0.361 nan 8.250 nan 0.000 0.508 361 F N 0.775 120.700 119.950 -0.042 0.000 2.569 361 F HA 0.354 4.881 4.527 0.000 0.000 0.312 361 F C -0.119 175.685 175.800 0.006 0.000 1.109 361 F CA -1.083 56.919 58.000 0.004 0.000 0.919 361 F CB 1.674 40.688 39.000 0.023 0.000 1.211 361 F HN -0.364 nan 8.300 nan 0.000 0.446 362 K N 2.017 122.530 120.400 0.188 0.000 2.235 362 K HA 0.443 4.763 4.320 0.000 0.000 0.266 362 K C -0.862 175.785 176.600 0.078 0.000 0.980 362 K CA -0.963 55.365 56.287 0.068 0.000 0.849 362 K CB 1.651 34.193 32.500 0.071 0.000 1.098 362 K HN 0.485 nan 8.250 nan 0.000 0.445 363 Q N 2.293 122.049 119.800 -0.074 0.000 2.278 363 Q HA 0.312 4.652 4.340 0.000 0.000 0.257 363 Q C -1.566 174.318 176.000 -0.192 0.000 0.928 363 Q CA -0.118 55.674 55.803 -0.017 0.000 0.932 363 Q CB 0.729 29.470 28.738 0.005 0.000 1.221 363 Q HN 0.360 nan 8.270 nan 0.000 0.434 364 Y N -0.083 120.245 120.300 0.047 0.000 2.598 364 Y HA 0.682 5.232 4.550 0.000 0.000 0.340 364 Y C -0.119 175.779 175.900 -0.003 0.000 1.038 364 Y CA -0.942 57.172 58.100 0.023 0.000 1.100 364 Y CB 2.466 40.936 38.460 0.017 0.000 1.281 364 Y HN 0.446 nan 8.280 nan 0.000 0.488 365 S N 2.110 117.878 115.700 0.113 0.000 2.594 365 S HA 0.706 5.176 4.470 0.000 0.000 0.296 365 S C -1.293 173.272 174.600 -0.059 0.000 1.124 365 S CA -0.750 57.444 58.200 -0.010 0.000 1.011 365 S CB 0.353 63.487 63.200 -0.110 0.000 1.016 365 S HN 0.540 nan 8.310 nan 0.000 0.485 366 R N 2.696 123.179 120.500 -0.029 0.000 2.744 366 R HA 0.445 4.785 4.340 0.000 0.000 0.279 366 R C -1.087 175.239 176.300 0.044 0.000 0.977 366 R CA -0.673 55.415 56.100 -0.020 0.000 0.906 366 R CB 1.490 31.788 30.300 -0.003 0.000 1.197 366 R HN 0.869 nan 8.270 nan 0.000 0.463 367 H N 0.686 119.709 119.070 -0.078 0.000 2.637 367 H HA 0.567 5.123 4.556 0.000 0.000 0.363 367 H C -1.073 174.246 175.328 -0.014 0.000 1.131 367 H CA -0.831 55.189 56.048 -0.047 0.000 1.183 367 H CB 2.027 31.756 29.762 -0.055 0.000 1.637 367 H HN 0.182 nan 8.280 nan 0.000 0.531 368 V N 3.185 122.905 119.914 -0.323 0.000 2.769 368 V HA 0.268 4.388 4.120 0.000 0.000 0.312 368 V C -0.481 175.329 176.094 -0.473 0.000 1.058 368 V CA -0.682 61.440 62.300 -0.296 0.000 0.952 368 V CB 1.783 33.544 31.823 -0.103 0.000 1.019 368 V HN 0.736 nan 8.190 nan 0.000 0.445 369 E N 1.815 121.898 120.200 -0.195 0.000 2.281 369 E HA 0.410 4.761 4.350 0.000 0.000 0.266 369 E C -1.141 175.504 176.600 0.076 0.000 0.893 369 E CA -0.317 56.045 56.400 -0.065 0.000 0.798 369 E CB 1.638 31.404 29.700 0.111 0.000 1.245 369 E HN 0.749 nan 8.360 nan 0.000 0.410 370 E N 4.018 124.179 120.200 -0.065 0.000 2.185 370 E HA 0.359 4.709 4.350 0.000 0.000 0.261 370 E C -1.223 175.247 176.600 -0.216 0.000 0.879 370 E CA -0.521 55.855 56.400 -0.041 0.000 0.756 370 E CB 0.727 30.385 29.700 -0.069 0.000 1.152 370 E HN 0.428 nan 8.360 nan 0.000 0.416 371 Y N 1.622 121.855 120.300 -0.111 0.000 2.686 371 Y HA 0.472 5.022 4.550 0.000 0.000 0.330 371 Y C -0.233 175.514 175.900 -0.254 0.000 1.082 371 Y CA -0.742 57.225 58.100 -0.223 0.000 1.158 371 Y CB 1.838 40.101 38.460 -0.328 0.000 1.333 371 Y HN 0.430 nan 8.280 nan 0.000 0.519 372 D N 1.140 121.464 120.400 -0.126 0.000 2.484 372 D HA 0.201 4.841 4.640 0.000 0.000 0.206 372 D C -2.063 174.070 176.300 -0.277 0.000 1.322 372 D CA -0.156 53.733 54.000 -0.185 0.000 0.913 372 D CB 0.770 41.494 40.800 -0.127 0.000 1.559 372 D HN 0.525 nan 8.370 nan 0.000 0.565 373 L N 2.338 123.349 121.223 -0.354 0.000 2.322 373 L HA 0.531 4.871 4.340 0.000 0.000 0.279 373 L C 0.212 176.790 176.870 -0.488 0.000 1.036 373 L CA -0.606 53.943 54.840 -0.486 0.000 0.807 373 L CB 1.769 43.570 42.059 -0.431 0.000 1.226 373 L HN 0.276 nan 8.230 nan 0.000 0.433 374 Q N 2.664 121.982 119.800 -0.804 0.000 2.331 374 Q HA 0.646 4.986 4.340 0.000 0.000 0.272 374 Q C -1.648 173.706 176.000 -1.078 0.000 1.062 374 Q CA -0.531 54.860 55.803 -0.687 0.000 0.806 374 Q CB 2.886 31.379 28.738 -0.407 0.000 1.312 374 Q HN 0.360 nan 8.270 nan 0.000 0.431 375 F N 0.961 120.489 119.950 -0.704 0.000 2.650 375 F HA 0.609 5.136 4.527 0.000 0.000 0.320 375 F C -0.502 174.747 175.800 -0.918 0.000 1.091 375 F CA -1.076 56.429 58.000 -0.826 0.000 0.962 375 F CB 1.436 39.768 39.000 -1.114 0.000 1.363 375 F HN 0.269 nan 8.300 nan 0.000 0.482 376 I N 2.235 122.415 120.570 -0.650 0.000 2.468 376 I HA 0.322 4.492 4.170 0.000 0.000 0.284 376 I C -1.171 174.618 176.117 -0.547 0.000 1.038 376 I CA -0.680 60.293 61.300 -0.545 0.000 1.083 376 I CB 1.141 38.824 38.000 -0.529 0.000 1.223 376 I HN 0.411 nan 8.210 nan 0.000 0.443 377 F N 3.940 123.750 119.950 -0.234 0.000 2.470 377 F HA 0.515 5.042 4.527 0.000 0.000 0.329 377 F C 0.594 176.441 175.800 0.079 0.000 1.072 377 F CA -0.601 57.309 58.000 -0.150 0.000 0.989 377 F CB 1.658 40.399 39.000 -0.432 0.000 1.193 377 F HN 0.383 nan 8.300 nan 0.000 0.481 378 Q N 2.429 122.445 119.800 0.360 0.000 2.337 378 Q HA 0.486 4.826 4.340 0.000 0.000 0.266 378 Q C -1.626 174.547 176.000 0.288 0.000 1.023 378 Q CA -1.163 54.742 55.803 0.169 0.000 0.829 378 Q CB 2.080 30.830 28.738 0.020 0.000 1.306 378 Q HN 0.701 nan 8.270 nan 0.000 0.449 379 L N 3.860 125.206 121.223 0.204 0.000 2.319 379 L HA 0.367 4.707 4.340 0.000 0.000 0.280 379 L C -1.375 175.418 176.870 -0.128 0.000 1.099 379 L CA 0.282 55.133 54.840 0.018 0.000 0.828 379 L CB 0.608 42.638 42.059 -0.048 0.000 1.150 379 L HN 0.798 nan 8.230 nan 0.000 0.442 380 C N 2.322 121.501 119.300 -0.202 0.000 2.707 380 C HA 0.828 5.289 4.460 0.000 0.000 0.313 380 C C 0.109 174.966 174.990 -0.222 0.000 1.209 380 C CA -0.594 58.319 59.018 -0.174 0.000 1.635 380 C CB 1.860 29.521 27.740 -0.130 0.000 2.206 380 C HN 0.879 nan 8.230 nan 0.000 0.485 381 T N -0.561 113.903 114.554 -0.151 0.000 2.856 381 T HA 0.793 5.143 4.350 0.000 0.000 0.283 381 T C -1.010 173.665 174.700 -0.042 0.000 1.008 381 T CA -0.429 61.591 62.100 -0.134 0.000 0.997 381 T CB 0.927 69.747 68.868 -0.080 0.000 0.992 381 T HN 0.323 nan 8.240 nan 0.000 0.454 382 I N 2.622 123.171 120.570 -0.035 0.000 2.420 382 I HA 0.261 4.431 4.170 0.000 0.000 0.282 382 I C 0.453 176.588 176.117 0.031 0.000 1.019 382 I CA -0.277 61.066 61.300 0.071 0.000 1.130 382 I CB 1.658 39.765 38.000 0.177 0.000 1.262 382 I HN 0.738 nan 8.210 nan 0.000 0.454 383 T N 7.260 121.847 114.554 0.056 0.000 2.751 383 T HA 0.255 4.605 4.350 0.000 0.000 0.290 383 T C 0.488 175.213 174.700 0.042 0.000 0.919 383 T CA -0.140 61.980 62.100 0.034 0.000 1.136 383 T CB -0.183 68.705 68.868 0.035 0.000 0.875 383 T HN 0.264 nan 8.240 nan 0.000 0.532 384 L N 5.305 126.540 121.223 0.020 0.000 2.433 384 L HA 0.227 4.567 4.340 0.000 0.000 0.284 384 L C 1.395 178.282 176.870 0.029 0.000 1.120 384 L CA -0.377 54.487 54.840 0.040 0.000 0.879 384 L CB -0.315 41.766 42.059 0.036 0.000 1.232 384 L HN 0.742 nan 8.230 nan 0.000 0.454 385 T N -0.378 114.194 114.554 0.031 0.000 2.870 385 T HA 0.645 4.995 4.350 0.000 0.000 0.277 385 T C 1.104 175.816 174.700 0.019 0.000 1.000 385 T CA -0.082 62.030 62.100 0.020 0.000 0.982 385 T CB 1.737 70.614 68.868 0.016 0.000 1.249 385 T HN 0.393 nan 8.240 nan 0.000 0.589 386 A N 1.628 124.456 122.820 0.014 0.000 1.862 386 A HA -0.163 4.157 4.320 0.000 0.000 0.214 386 A C 1.904 179.496 177.584 0.014 0.000 1.228 386 A CA 2.595 54.640 52.037 0.013 0.000 0.665 386 A CB -1.850 17.156 19.000 0.010 0.000 0.845 386 A HN 1.048 nan 8.150 nan 0.000 0.459 387 D N -0.195 120.212 120.400 0.012 0.000 2.149 387 D HA -0.178 4.462 4.640 0.000 0.000 0.194 387 D C 1.539 177.848 176.300 0.014 0.000 1.001 387 D CA 1.706 55.715 54.000 0.016 0.000 0.849 387 D CB -1.145 39.661 40.800 0.009 0.000 0.939 387 D HN 0.182 nan 8.370 nan 0.000 0.449 388 V N 0.192 120.098 119.914 -0.013 0.000 2.278 388 V HA -0.342 3.778 4.120 0.000 0.000 0.251 388 V C 2.645 178.741 176.094 0.002 0.000 1.062 388 V CA 2.238 64.507 62.300 -0.052 0.000 1.038 388 V CB -0.569 31.243 31.823 -0.019 0.000 0.646 388 V HN 0.254 nan 8.190 nan 0.000 0.447 389 M N 0.387 120.004 119.600 0.029 0.000 2.099 389 M HA -0.146 4.334 4.480 0.000 0.000 0.262 389 M C 2.442 178.745 176.300 0.004 0.000 1.067 389 M CA 2.152 57.473 55.300 0.034 0.000 1.124 389 M CB -0.377 32.248 32.600 0.042 0.000 1.353 389 M HN 0.584 nan 8.290 nan 0.000 0.410 390 S N -0.599 115.107 115.700 0.011 0.000 2.419 390 S HA -0.209 4.261 4.470 0.000 0.000 0.233 390 S C 1.736 176.331 174.600 -0.009 0.000 1.016 390 S CA 1.077 59.274 58.200 -0.005 0.000 0.974 390 S CB -0.953 62.252 63.200 0.008 0.000 0.786 390 S HN 0.587 nan 8.310 nan 0.000 0.492 391 Y N 2.407 122.638 120.300 -0.115 0.000 2.153 391 Y HA 0.094 4.644 4.550 0.000 0.000 0.289 391 Y C 2.013 177.797 175.900 -0.192 0.000 1.127 391 Y CA 1.272 59.288 58.100 -0.140 0.000 1.131 391 Y CB -0.341 37.993 38.460 -0.209 0.000 0.995 391 Y HN 0.170 nan 8.280 nan 0.000 0.505 392 I N 0.368 120.900 120.570 -0.064 0.000 2.454 392 I HA -0.279 3.891 4.170 0.000 0.000 0.254 392 I C 2.307 178.236 176.117 -0.313 0.000 1.156 392 I CA 1.467 62.615 61.300 -0.254 0.000 1.433 392 I CB -0.483 37.402 38.000 -0.191 0.000 1.082 392 I HN 0.327 nan 8.210 nan 0.000 0.432 393 Q N 1.288 120.966 119.800 -0.203 0.000 2.061 393 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 393 Q C 2.294 178.169 176.000 -0.207 0.000 0.984 393 Q CA 2.459 58.156 55.803 -0.177 0.000 0.846 393 Q CB -0.134 28.540 28.738 -0.105 0.000 0.902 393 Q HN 0.385 nan 8.270 nan 0.000 0.421 394 S N -0.095 115.470 115.700 -0.224 0.000 2.368 394 S HA -0.140 4.330 4.470 0.000 0.000 0.224 394 S C 1.800 176.251 174.600 -0.249 0.000 1.029 394 S CA 1.317 59.398 58.200 -0.199 0.000 0.988 394 S CB -0.378 62.713 63.200 -0.181 0.000 0.838 394 S HN 0.538 nan 8.310 nan 0.000 0.462 395 M N 1.196 120.513 119.600 -0.471 0.000 2.067 395 M HA -0.058 4.422 4.480 0.000 0.000 0.260 395 M C 0.394 176.342 176.300 -0.587 0.000 1.069 395 M CA 1.562 56.388 55.300 -0.789 0.000 1.117 395 M CB 0.078 32.024 32.600 -1.090 0.000 1.334 395 M HN 0.278 nan 8.290 nan 0.000 0.407 396 N N -0.271 118.147 118.700 -0.470 0.000 3.151 396 N HA 0.027 4.767 4.740 0.000 0.000 0.219 396 N C 0.412 175.746 175.510 -0.293 0.000 1.434 396 N CA 0.371 53.218 53.050 -0.338 0.000 0.767 396 N CB 0.694 38.975 38.487 -0.344 0.000 1.564 396 N HN 0.326 nan 8.380 nan 0.000 0.612 397 S N 0.790 116.356 115.700 -0.223 0.000 2.399 397 S HA -0.316 4.154 4.470 0.000 0.000 0.235 397 S C 1.986 176.465 174.600 -0.201 0.000 1.063 397 S CA 2.113 60.198 58.200 -0.193 0.000 1.070 397 S CB -0.717 62.402 63.200 -0.134 0.000 0.904 397 S HN 0.663 nan 8.310 nan 0.000 0.456 398 S N 2.309 117.918 115.700 -0.151 0.000 2.440 398 S HA -0.049 4.421 4.470 0.000 0.000 0.240 398 S C 1.765 176.205 174.600 -0.266 0.000 1.014 398 S CA 1.285 59.423 58.200 -0.103 0.000 0.980 398 S CB -1.018 62.211 63.200 0.049 0.000 0.775 398 S HN 0.658 nan 8.310 nan 0.000 0.499 399 I N 1.119 121.426 120.570 -0.438 0.000 2.202 399 I HA -0.134 4.036 4.170 0.000 0.000 0.242 399 I C 2.419 177.899 176.117 -1.062 0.000 1.091 399 I CA 1.258 62.030 61.300 -0.880 0.000 1.368 399 I CB -0.426 37.026 38.000 -0.913 0.000 1.058 399 I HN 0.292 nan 8.210 nan 0.000 0.410 400 L N 0.293 121.124 121.223 -0.652 0.000 2.141 400 L HA -0.171 4.169 4.340 0.000 0.000 0.209 400 L C 2.481 179.240 176.870 -0.185 0.000 1.094 400 L CA 1.151 55.780 54.840 -0.353 0.000 0.763 400 L CB -0.447 41.523 42.059 -0.149 0.000 0.908 400 L HN 0.257 nan 8.230 nan 0.000 0.437 401 E N 0.232 120.310 120.200 -0.203 0.000 2.023 401 E HA -0.249 4.101 4.350 0.000 0.000 0.196 401 E C 1.728 178.285 176.600 -0.071 0.000 1.003 401 E CA 1.665 58.003 56.400 -0.104 0.000 0.809 401 E CB -0.017 29.628 29.700 -0.093 0.000 0.755 401 E HN 0.450 nan 8.360 nan 0.000 0.449 402 D N -0.221 120.089 120.400 -0.151 0.000 2.190 402 D HA -0.185 4.455 4.640 0.000 0.000 0.200 402 D C 1.420 177.777 176.300 0.096 0.000 0.992 402 D CA 0.778 54.736 54.000 -0.069 0.000 0.854 402 D CB -0.306 40.395 40.800 -0.164 0.000 0.936 402 D HN 0.370 nan 8.370 nan 0.000 0.462 403 W N 1.268 122.536 121.300 -0.053 0.000 2.825 403 W HA 0.083 4.743 4.660 0.000 0.000 0.243 403 W C 0.620 177.126 176.519 -0.022 0.000 1.293 403 W CA -0.124 57.201 57.345 -0.034 0.000 1.403 403 W CB -1.078 28.366 29.460 -0.027 0.000 1.134 403 W HN -0.065 nan 8.180 nan 0.000 0.666 439 K N 0.659 121.054 120.400 -0.008 0.000 2.221 439 K HA 0.426 4.746 4.320 0.000 0.000 0.258 439 K C -1.306 175.274 176.600 -0.034 0.000 0.944 439 K CA -0.543 55.735 56.287 -0.016 0.000 0.823 439 K CB 1.259 33.744 32.500 -0.026 0.000 1.113 439 K HN 0.553 nan 8.250 nan 0.000 0.431 440 D N 2.753 123.136 120.400 -0.028 0.000 2.193 440 D HA 0.281 4.922 4.640 0.000 0.000 0.244 440 D C -1.564 174.655 176.300 -0.134 0.000 1.064 440 D CA -2.106 51.854 54.000 -0.066 0.000 0.845 440 D CB 1.235 42.055 40.800 0.033 0.000 1.148 440 D HN 0.231 nan 8.370 nan 0.000 0.464 441 P HA -0.100 nan 4.420 nan 0.000 0.239 441 P C 0.048 177.160 177.300 -0.314 0.000 1.184 441 P CA 0.959 63.810 63.100 -0.416 0.000 0.760 441 P CB -0.047 31.264 31.700 -0.648 0.000 0.884 442 Y N -1.055 119.297 120.300 0.086 0.000 2.500 442 Y HA 0.169 4.719 4.550 0.000 0.000 0.246 442 Y C 1.583 177.561 175.900 0.130 0.000 1.146 442 Y CA -0.610 57.591 58.100 0.170 0.000 1.230 442 Y CB -0.094 38.592 38.460 0.377 0.000 1.214 442 Y HN -0.148 nan 8.280 nan 0.000 0.526 443 D N 0.835 121.350 120.400 0.191 0.000 2.411 443 D HA -0.113 4.527 4.640 0.000 0.000 0.226 443 D C 1.596 177.928 176.300 0.053 0.000 0.988 443 D CA 0.927 54.998 54.000 0.118 0.000 0.938 443 D CB 0.138 40.980 40.800 0.071 0.000 0.883 443 D HN 0.261 nan 8.370 nan 0.000 0.525 444 K N -0.326 120.099 120.400 0.041 0.000 2.284 444 K HA 0.137 4.457 4.320 0.000 0.000 0.198 444 K C 0.930 177.486 176.600 -0.074 0.000 1.048 444 K CA 0.091 56.372 56.287 -0.010 0.000 0.987 444 K CB 0.531 33.030 32.500 -0.002 0.000 0.800 444 K HN 0.201 nan 8.250 nan 0.000 0.486 445 L N 1.962 123.109 121.223 -0.128 0.000 2.399 445 L HA 0.203 4.544 4.340 0.000 0.000 0.266 445 L C 0.426 176.937 176.870 -0.599 0.000 1.114 445 L CA -0.713 53.903 54.840 -0.374 0.000 0.804 445 L CB 0.496 42.267 42.059 -0.480 0.000 1.146 445 L HN -0.265 nan 8.230 nan 0.000 0.451 446 K N 2.685 122.732 120.400 -0.589 0.000 2.276 446 K HA 0.515 4.835 4.320 0.000 0.000 0.285 446 K C -0.895 175.370 176.600 -0.558 0.000 1.062 446 K CA 0.214 56.242 56.287 -0.431 0.000 0.918 446 K CB 0.802 33.170 32.500 -0.219 0.000 1.055 446 K HN 0.340 nan 8.250 nan 0.000 0.477 447 F N 0.228 120.198 119.950 0.034 0.000 2.675 447 F HA 0.331 4.858 4.527 0.000 0.000 0.324 447 F C -0.233 175.625 175.800 0.097 0.000 1.106 447 F CA -1.226 56.809 58.000 0.057 0.000 0.970 447 F CB 1.563 40.605 39.000 0.070 0.000 1.385 447 F HN 0.384 nan 8.300 nan 0.000 0.489 448 W N 4.077 125.459 121.300 0.136 0.000 2.298 448 W HA 0.332 4.992 4.660 0.000 0.000 0.327 448 W C -0.990 175.609 176.519 0.134 0.000 0.988 448 W CA -1.212 56.177 57.345 0.074 0.000 1.448 448 W CB 0.195 29.626 29.460 -0.049 0.000 1.243 448 W HN 0.383 nan 8.180 nan 0.000 0.388 449 N N 3.978 122.949 118.700 0.453 0.000 2.468 449 N HA 0.083 4.823 4.740 0.000 0.000 0.265 449 N C -0.800 174.893 175.510 0.306 0.000 1.199 449 N CA 0.243 53.466 53.050 0.288 0.000 0.928 449 N CB 1.843 40.441 38.487 0.184 0.000 1.059 449 N HN 0.057 nan 8.380 nan 0.000 0.467 450 V N 2.421 122.430 119.914 0.158 0.000 2.349 450 V HA 0.091 4.211 4.120 0.000 0.000 0.284 450 V C 0.056 176.167 176.094 0.029 0.000 1.014 450 V CA -0.900 61.453 62.300 0.088 0.000 0.826 450 V CB 1.601 33.419 31.823 -0.009 0.000 1.009 450 V HN 0.542 nan 8.190 nan 0.000 0.431 451 D N 4.645 125.073 120.400 0.047 0.000 2.295 451 D HA 0.329 4.969 4.640 0.000 0.000 0.248 451 D C 0.342 176.657 176.300 0.025 0.000 1.154 451 D CA -0.133 53.880 54.000 0.022 0.000 0.857 451 D CB 1.788 42.610 40.800 0.037 0.000 1.117 451 D HN 0.472 nan 8.370 nan 0.000 0.468 452 L N 3.676 124.904 121.223 0.008 0.000 2.906 452 L HA 0.149 4.489 4.340 0.000 0.000 0.255 452 L C 1.988 178.905 176.870 0.078 0.000 1.166 452 L CA -0.229 54.651 54.840 0.068 0.000 0.977 452 L CB 0.319 42.434 42.059 0.094 0.000 1.313 452 L HN 0.215 nan 8.230 nan 0.000 0.549 453 K N 0.694 121.078 120.400 -0.026 0.000 2.218 453 K HA -0.136 4.184 4.320 0.000 0.000 0.205 453 K C 0.781 177.380 176.600 -0.002 0.000 1.046 453 K CA 1.014 57.237 56.287 -0.105 0.000 0.933 453 K CB 0.142 32.598 32.500 -0.074 0.000 0.728 453 K HN 0.227 nan 8.250 nan 0.000 0.454 454 E N 0.186 120.433 120.200 0.080 0.000 2.496 454 E HA 0.062 4.412 4.350 0.000 0.000 0.200 454 E C 0.310 177.014 176.600 0.173 0.000 1.016 454 E CA 0.162 56.640 56.400 0.129 0.000 0.962 454 E CB 0.720 30.482 29.700 0.103 0.000 1.071 454 E HN 0.195 nan 8.360 nan 0.000 0.457 455 K N 0.005 120.540 120.400 0.225 0.000 2.438 455 K HA 0.195 4.515 4.320 0.000 0.000 0.206 455 K C 0.167 176.916 176.600 0.247 0.000 1.081 455 K CA -0.326 56.086 56.287 0.209 0.000 1.053 455 K CB 0.664 33.243 32.500 0.132 0.000 0.908 455 K HN -0.056 nan 8.250 nan 0.000 0.556 456 F N 1.946 121.932 119.950 0.059 0.000 2.471 456 F HA 0.160 4.687 4.527 0.000 0.000 0.353 456 F C 0.959 176.929 175.800 0.282 0.000 1.113 456 F CA 0.063 58.148 58.000 0.142 0.000 1.262 456 F CB 1.015 40.054 39.000 0.066 0.000 1.146 456 F HN -0.228 nan 8.300 nan 0.000 0.578 457 S N 3.131 119.037 115.700 0.344 0.000 2.546 457 S HA 0.511 4.981 4.470 0.000 0.000 0.274 457 S C 0.291 174.901 174.600 0.016 0.000 1.121 457 S CA -0.697 57.626 58.200 0.204 0.000 0.887 457 S CB 1.060 64.322 63.200 0.104 0.000 1.094 457 S HN 0.652 nan 8.310 nan 0.000 0.474 458 L N 1.568 122.727 121.223 -0.108 0.000 2.307 458 L HA 0.177 4.517 4.340 0.000 0.000 0.211 458 L C -0.046 176.775 176.870 -0.082 0.000 1.099 458 L CA 0.507 55.161 54.840 -0.311 0.000 0.816 458 L CB -0.051 41.829 42.059 -0.299 0.000 0.952 458 L HN 0.678 nan 8.230 nan 0.000 0.455 459 D N 0.227 120.644 120.400 0.028 0.000 2.468 459 D HA 0.111 4.751 4.640 0.000 0.000 0.218 459 D C 1.184 177.568 176.300 0.141 0.000 1.155 459 D CA -0.210 53.835 54.000 0.074 0.000 0.924 459 D CB 0.416 41.256 40.800 0.066 0.000 1.029 459 D HN 0.059 nan 8.370 nan 0.000 0.515 460 L N 0.518 121.816 121.223 0.125 0.000 2.042 460 L HA -0.176 4.165 4.340 0.000 0.000 0.210 460 L C 1.938 178.902 176.870 0.156 0.000 1.076 460 L CA 1.240 56.177 54.840 0.161 0.000 0.749 460 L CB -0.475 41.690 42.059 0.176 0.000 0.893 460 L HN 0.324 nan 8.230 nan 0.000 0.432 461 D N 0.100 120.556 120.400 0.094 0.000 2.220 461 D HA -0.225 4.415 4.640 0.000 0.000 0.198 461 D C 2.146 178.441 176.300 -0.007 0.000 1.001 461 D CA 1.243 55.268 54.000 0.042 0.000 0.875 461 D CB 0.041 40.852 40.800 0.018 0.000 0.921 461 D HN 0.293 nan 8.370 nan 0.000 0.454 462 Q N -1.077 118.704 119.800 -0.032 0.000 2.472 462 Q HA -0.033 4.307 4.340 0.000 0.000 0.208 462 Q C -0.212 175.456 176.000 -0.553 0.000 0.958 462 Q CA 0.480 56.114 55.803 -0.282 0.000 0.932 462 Q CB 0.164 28.667 28.738 -0.392 0.000 1.007 462 Q HN 0.451 nan 8.270 nan 0.000 0.508 463 Y N -0.309 119.885 120.300 -0.177 0.000 2.499 463 Y HA 0.227 4.777 4.550 0.000 0.000 0.347 463 Y C -1.511 174.342 175.900 -0.079 0.000 0.987 463 Y CA -2.620 55.343 58.100 -0.229 0.000 1.044 463 Y CB 1.198 39.243 38.460 -0.691 0.000 1.245 463 Y HN -0.179 nan 8.280 nan 0.000 0.461 464 P HA -0.262 nan 4.420 nan 0.000 0.213 464 P C 1.735 179.116 177.300 0.136 0.000 1.176 464 P CA 1.717 64.869 63.100 0.088 0.000 0.919 464 P CB 0.563 32.301 31.700 0.063 0.000 0.791 465 L N -0.630 120.699 121.223 0.177 0.000 2.079 465 L HA -0.126 4.214 4.340 0.000 0.000 0.210 465 L C 2.690 179.737 176.870 0.295 0.000 1.081 465 L CA 2.080 57.034 54.840 0.190 0.000 0.752 465 L CB -1.308 40.805 42.059 0.090 0.000 0.896 465 L HN 0.061 nan 8.230 nan 0.000 0.433 466 G N -0.384 108.604 108.800 0.313 0.000 2.446 466 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 466 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 466 G C 1.589 176.628 174.900 0.231 0.000 1.168 466 G CA 0.827 46.094 45.100 0.279 0.000 0.771 466 G HN 0.354 nan 8.290 nan 0.000 0.551 467 R N 0.412 121.006 120.500 0.156 0.000 2.070 467 R HA 0.019 4.359 4.340 0.000 0.000 0.233 467 R C 2.678 179.030 176.300 0.087 0.000 1.137 467 R CA 1.447 57.601 56.100 0.089 0.000 0.945 467 R CB -0.325 30.005 30.300 0.051 0.000 0.845 467 R HN 0.265 nan 8.270 nan 0.000 0.430 468 K N -0.034 120.454 120.400 0.148 0.000 2.127 468 K HA -0.221 4.099 4.320 0.000 0.000 0.208 468 K C 1.929 178.604 176.600 0.126 0.000 1.047 468 K CA 1.677 58.076 56.287 0.187 0.000 0.927 468 K CB -0.324 32.362 32.500 0.310 0.000 0.716 468 K HN 0.093 nan 8.250 nan 0.000 0.450 469 F N 1.788 121.755 119.950 0.028 0.000 2.075 469 F HA -0.161 4.366 4.527 0.000 0.000 0.297 469 F C 1.814 177.383 175.800 -0.385 0.000 1.113 469 F CA 1.317 59.108 58.000 -0.348 0.000 1.218 469 F CB -0.406 38.506 39.000 -0.145 0.000 0.984 469 F HN -0.125 nan 8.300 nan 0.000 0.472 470 L N -0.519 120.519 121.223 -0.309 0.000 2.043 470 L HA -0.271 4.069 4.340 0.000 0.000 0.212 470 L C 2.371 179.019 176.870 -0.370 0.000 1.075 470 L CA 1.272 55.897 54.840 -0.358 0.000 0.752 470 L CB -1.022 40.971 42.059 -0.109 0.000 0.891 470 L HN 0.065 nan 8.230 nan 0.000 0.432 471 V N -0.434 119.323 119.914 -0.262 0.000 2.220 471 V HA -0.339 3.781 4.120 0.000 0.000 0.246 471 V C 2.528 178.438 176.094 -0.307 0.000 1.049 471 V CA 2.147 64.319 62.300 -0.213 0.000 1.003 471 V CB -0.756 30.996 31.823 -0.119 0.000 0.634 471 V HN 0.574 nan 8.190 nan 0.000 0.444 472 Q N 0.442 119.993 119.800 -0.414 0.000 2.152 472 Q HA -0.276 4.064 4.340 0.000 0.000 0.206 472 Q C 2.140 177.796 176.000 -0.573 0.000 0.985 472 Q CA 2.575 58.064 55.803 -0.523 0.000 0.863 472 Q CB -0.347 27.863 28.738 -0.880 0.000 0.904 472 Q HN 0.623 nan 8.270 nan 0.000 0.422 473 A N -0.015 122.361 122.820 -0.740 0.000 2.015 473 A HA 0.256 4.576 4.320 0.000 0.000 0.219 473 A C 1.142 178.505 177.584 -0.368 0.000 1.163 473 A CA 1.610 53.271 52.037 -0.626 0.000 0.646 473 A CB -0.599 17.910 19.000 -0.820 0.000 0.806 473 A HN 0.718 nan 8.150 nan 0.000 0.448 474 G N 0.000 108.608 108.800 -0.320 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 44.978 45.100 -0.203 0.000 0.502 474 G HN 0.000 nan 8.290 nan 0.000 0.925