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 2xe2_1_B DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK LDLYGKVDGL HYFSDNDSKD GDKTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNEPESDNS SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYDSDNF MQQRGNGFAT YRNTDFFGLV DGLDFAVQYQ DATA SEQUENCE GKNGSAHGEG MTTNGRDDVF EQNGDGVGGS ITYNYEGFGI GAAVSSSKRT DATA SEQUENCE WDQNNTGLIG TGDRAETYTG GLKYDANNIY LAAQYTQTYN ATRVGSLGWA DATA SEQUENCE NKAQNFEAVA QYQFDFGLRP SLAYLQSKGK NLGRGYDDED ILKYVDVGAT DATA SEQUENCE YYFNKNMSTY VDYKINLLDD NRFTRDAGIN TDDIVALGLV YQF 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.716 177.584 0.220 0.000 1.274 1 A CA 0.000 52.191 52.037 0.257 0.000 0.836 1 A CB 0.000 19.188 19.000 0.313 0.000 0.831 2 E N 2.215 122.507 120.200 0.153 0.000 2.104 2 E HA 0.343 4.694 4.350 0.001 0.000 0.278 2 E C 0.609 177.292 176.600 0.138 0.000 1.127 2 E CA -0.025 56.458 56.400 0.139 0.000 0.897 2 E CB 0.016 29.771 29.700 0.092 0.000 1.043 2 E HN 0.638 nan 8.360 nan 0.000 0.410 3 I N 2.270 122.943 120.570 0.171 0.000 3.956 3 I HA 0.327 4.497 4.170 0.001 0.000 0.333 3 I C -0.581 175.667 176.117 0.219 0.000 1.302 3 I CA -0.491 60.907 61.300 0.163 0.000 1.122 3 I CB 0.230 38.324 38.000 0.157 0.000 1.013 3 I HN 0.345 nan 8.210 nan 0.000 0.405 4 Y N 1.642 121.971 120.300 0.049 0.000 2.424 4 Y HA 0.526 5.077 4.550 0.001 0.000 0.323 4 Y C -1.855 174.066 175.900 0.034 0.000 1.174 4 Y CA -1.102 57.017 58.100 0.032 0.000 1.060 4 Y CB 1.344 39.815 38.460 0.019 0.000 1.314 4 Y HN 0.114 nan 8.280 nan 0.000 0.439 5 N N 5.525 123.936 118.700 -0.481 0.000 2.812 5 N HA 0.281 5.021 4.740 0.001 0.000 0.262 5 N C -2.216 173.038 175.510 -0.426 0.000 1.241 5 N CA -0.384 52.492 53.050 -0.290 0.000 0.854 5 N CB 1.374 39.794 38.487 -0.111 0.000 1.506 5 N HN 0.794 nan 8.380 nan 0.000 0.576 6 K N 2.058 122.217 120.400 -0.402 0.000 2.569 6 K HA 0.213 4.534 4.320 0.001 0.000 0.259 6 K C -1.212 175.333 176.600 -0.091 0.000 0.932 6 K CA -0.365 55.736 56.287 -0.309 0.000 0.833 6 K CB 0.806 32.982 32.500 -0.541 0.000 1.340 6 K HN 0.328 nan 8.250 nan 0.000 0.429 7 D N 2.808 123.181 120.400 -0.045 0.000 2.692 7 D HA -0.217 4.424 4.640 0.001 0.000 0.233 7 D C 0.676 176.994 176.300 0.030 0.000 1.172 7 D CA 2.174 56.178 54.000 0.006 0.000 0.636 7 D CB -1.063 39.755 40.800 0.029 0.000 1.028 7 D HN 1.059 nan 8.370 nan 0.000 0.419 8 G N -0.489 108.324 108.800 0.021 0.000 2.176 8 G HA2 -0.354 3.607 3.960 0.001 0.000 0.253 8 G HA3 -0.354 3.607 3.960 0.001 0.000 0.253 8 G C 0.163 175.103 174.900 0.067 0.000 0.979 8 G CA 0.324 45.448 45.100 0.039 0.000 0.641 8 G HN 0.670 nan 8.290 nan 0.000 0.530 9 N N 0.385 119.141 118.700 0.093 0.000 2.284 9 N HA 0.632 5.372 4.740 0.001 0.000 0.300 9 N C -0.413 175.199 175.510 0.170 0.000 1.047 9 N CA -0.513 52.625 53.050 0.147 0.000 0.821 9 N CB 1.018 39.620 38.487 0.192 0.000 1.337 9 N HN 0.574 nan 8.380 nan 0.000 0.482 10 K N 1.494 121.996 120.400 0.169 0.000 2.385 10 K HA 0.722 5.042 4.320 0.001 0.000 0.248 10 K C -1.706 175.025 176.600 0.218 0.000 0.955 10 K CA -1.024 55.373 56.287 0.183 0.000 0.816 10 K CB 2.080 34.639 32.500 0.098 0.000 1.250 10 K HN 0.336 nan 8.250 nan 0.000 0.434 11 L N 1.673 123.043 121.223 0.245 0.000 2.441 11 L HA 0.338 4.678 4.340 0.001 0.000 0.270 11 L C -1.857 175.150 176.870 0.227 0.000 0.973 11 L CA -0.192 54.779 54.840 0.219 0.000 0.842 11 L CB 1.872 44.019 42.059 0.147 0.000 1.239 11 L HN 0.829 nan 8.230 nan 0.000 0.406 12 D N 4.428 124.981 120.400 0.255 0.000 2.359 12 D HA 0.300 4.941 4.640 0.001 0.000 0.230 12 D C -1.126 175.408 176.300 0.390 0.000 1.118 12 D CA -0.141 54.023 54.000 0.275 0.000 0.844 12 D CB 1.093 42.021 40.800 0.214 0.000 1.059 12 D HN 0.472 nan 8.370 nan 0.000 0.493 13 L N 6.379 127.816 121.223 0.357 0.000 2.264 13 L HA 0.421 4.762 4.340 0.001 0.000 0.289 13 L C -1.286 175.833 176.870 0.414 0.000 1.044 13 L CA -0.444 54.622 54.840 0.376 0.000 0.807 13 L CB 0.196 42.453 42.059 0.330 0.000 1.192 13 L HN 0.376 nan 8.230 nan 0.000 0.425 14 Y N 3.092 123.445 120.300 0.089 0.000 2.634 14 Y HA 1.027 5.577 4.550 0.001 0.000 0.340 14 Y C -0.054 175.484 175.900 -0.603 0.000 1.058 14 Y CA -0.770 57.139 58.100 -0.319 0.000 1.081 14 Y CB 1.451 39.783 38.460 -0.214 0.000 1.295 14 Y HN 0.775 nan 8.280 nan 0.000 0.487 15 G N 0.697 108.898 108.800 -0.999 0.000 2.322 15 G HA2 0.517 4.478 3.960 0.001 0.000 0.295 15 G HA3 0.517 4.478 3.960 0.001 0.000 0.295 15 G C -2.260 172.310 174.900 -0.551 0.000 1.369 15 G CA -0.882 43.795 45.100 -0.705 0.000 0.821 15 G HN 1.099 nan 8.290 nan 0.000 0.536 16 K N -1.877 118.411 120.400 -0.186 0.000 2.575 16 K HA 0.732 5.053 4.320 0.001 0.000 0.279 16 K C -1.766 174.835 176.600 0.001 0.000 0.969 16 K CA -1.036 55.219 56.287 -0.053 0.000 0.868 16 K CB 2.083 34.534 32.500 -0.081 0.000 1.457 16 K HN 0.622 nan 8.250 nan 0.000 0.426 17 V N 1.439 121.385 119.914 0.054 0.000 2.378 17 V HA 0.275 4.395 4.120 0.001 0.000 0.288 17 V C -1.148 174.874 176.094 -0.120 0.000 1.016 17 V CA -0.508 61.771 62.300 -0.035 0.000 0.840 17 V CB 1.380 33.242 31.823 0.064 0.000 0.994 17 V HN 0.822 nan 8.190 nan 0.000 0.431 18 D N 4.227 124.414 120.400 -0.356 0.000 2.454 18 D HA 0.347 4.988 4.640 0.001 0.000 0.225 18 D C 0.509 176.672 176.300 -0.227 0.000 1.081 18 D CA -0.148 53.656 54.000 -0.328 0.000 0.864 18 D CB 1.692 42.138 40.800 -0.590 0.000 1.040 18 D HN 0.671 nan 8.370 nan 0.000 0.517 19 G N 3.335 112.071 108.800 -0.107 0.000 2.389 19 G HA2 0.399 4.360 3.960 0.001 0.000 0.287 19 G HA3 0.399 4.360 3.960 0.001 0.000 0.287 19 G C -0.566 174.308 174.900 -0.044 0.000 1.126 19 G CA -0.115 44.950 45.100 -0.058 0.000 1.073 19 G HN 0.411 nan 8.290 nan 0.000 0.429 20 L N 2.431 123.656 121.223 0.003 0.000 2.431 20 L HA 0.708 5.048 4.340 0.001 0.000 0.266 20 L C -1.090 175.842 176.870 0.104 0.000 0.978 20 L CA -1.194 53.684 54.840 0.063 0.000 0.822 20 L CB 2.336 44.474 42.059 0.132 0.000 1.310 20 L HN 0.633 nan 8.230 nan 0.000 0.409 21 H N 2.862 121.960 119.070 0.047 0.000 2.771 21 H HA 0.611 5.168 4.556 0.001 0.000 0.361 21 H C -1.719 173.650 175.328 0.068 0.000 1.108 21 H CA -0.345 55.672 56.048 -0.052 0.000 1.201 21 H CB 1.280 30.921 29.762 -0.202 0.000 1.681 21 H HN 0.492 nan 8.280 nan 0.000 0.534 22 Y N 4.065 124.051 120.300 -0.523 0.000 2.360 22 Y HA 0.333 4.884 4.550 0.001 0.000 0.337 22 Y C -0.896 174.765 175.900 -0.399 0.000 1.039 22 Y CA -1.077 56.880 58.100 -0.237 0.000 1.109 22 Y CB 0.731 39.117 38.460 -0.123 0.000 1.201 22 Y HN 0.506 nan 8.280 nan 0.000 0.458 23 F N 1.722 121.806 119.950 0.222 0.000 2.427 23 F HA 0.558 5.086 4.527 0.001 0.000 0.348 23 F C 0.197 176.050 175.800 0.088 0.000 1.125 23 F CA -0.464 57.631 58.000 0.159 0.000 0.989 23 F CB 1.879 40.952 39.000 0.121 0.000 1.165 23 F HN 0.302 nan 8.300 nan 0.000 0.442 24 S N 1.569 117.396 115.700 0.213 0.000 2.537 24 S HA 0.277 4.748 4.470 0.001 0.000 0.270 24 S C 0.055 174.714 174.600 0.097 0.000 1.142 24 S CA -0.742 57.535 58.200 0.128 0.000 0.870 24 S CB 1.306 64.561 63.200 0.090 0.000 1.112 24 S HN 0.578 nan 8.310 nan 0.000 0.466 25 D N 1.637 122.079 120.400 0.070 0.000 2.219 25 D HA -0.034 4.607 4.640 0.001 0.000 0.205 25 D C 0.473 176.794 176.300 0.035 0.000 0.970 25 D CA 0.848 54.879 54.000 0.051 0.000 0.851 25 D CB -0.199 40.626 40.800 0.041 0.000 0.943 25 D HN 0.495 nan 8.370 nan 0.000 0.488 26 N N 1.896 120.611 118.700 0.026 0.000 2.416 26 N HA -0.064 4.676 4.740 0.001 0.000 0.265 26 N C 0.357 175.878 175.510 0.018 0.000 1.195 26 N CA 0.059 53.116 53.050 0.012 0.000 0.943 26 N CB 0.831 39.317 38.487 -0.002 0.000 1.115 26 N HN -0.156 nan 8.380 nan 0.000 0.481 27 D N 1.212 121.618 120.400 0.010 0.000 2.182 27 D HA -0.173 4.468 4.640 0.001 0.000 0.201 27 D C 1.508 177.804 176.300 -0.008 0.000 0.986 27 D CA 1.354 55.358 54.000 0.005 0.000 0.847 27 D CB -0.078 40.722 40.800 0.001 0.000 0.942 27 D HN 0.699 nan 8.370 nan 0.000 0.467 28 S N -0.379 115.313 115.700 -0.013 0.000 2.515 28 S HA -0.031 4.440 4.470 0.001 0.000 0.231 28 S C 1.335 175.927 174.600 -0.014 0.000 0.987 28 S CA 0.520 58.705 58.200 -0.025 0.000 0.936 28 S CB 0.128 63.308 63.200 -0.034 0.000 0.766 28 S HN 0.010 nan 8.310 nan 0.000 0.528 29 K N 1.277 121.690 120.400 0.021 0.000 2.537 29 K HA 0.355 4.675 4.320 0.001 0.000 0.206 29 K C -0.946 175.729 176.600 0.126 0.000 1.041 29 K CA 0.001 56.347 56.287 0.099 0.000 1.090 29 K CB 0.231 32.803 32.500 0.118 0.000 0.833 29 K HN 0.506 nan 8.250 nan 0.000 0.493 30 D N -0.198 120.214 120.400 0.021 0.000 2.502 30 D HA 0.554 5.194 4.640 0.001 0.000 0.249 30 D C 0.109 176.314 176.300 -0.158 0.000 1.092 30 D CA -0.048 53.937 54.000 -0.025 0.000 0.839 30 D CB 1.245 42.058 40.800 0.021 0.000 1.264 30 D HN 0.228 nan 8.370 nan 0.000 0.511 31 G N 2.931 111.488 108.800 -0.404 0.000 2.316 31 G HA2 0.038 3.998 3.960 0.001 0.000 0.349 31 G HA3 0.038 3.998 3.960 0.001 0.000 0.349 31 G C -1.125 173.266 174.900 -0.849 0.000 1.274 31 G CA -0.724 44.023 45.100 -0.589 0.000 1.018 31 G HN 0.621 nan 8.290 nan 0.000 0.486 32 D N 0.196 120.317 120.400 -0.466 0.000 2.450 32 D HA 0.426 5.066 4.640 0.001 0.000 0.247 32 D C 0.834 176.982 176.300 -0.254 0.000 1.162 32 D CA 0.286 54.133 54.000 -0.255 0.000 0.879 32 D CB 0.691 41.455 40.800 -0.059 0.000 1.163 32 D HN 0.355 nan 8.370 nan 0.000 0.472 33 K N 2.456 122.720 120.400 -0.227 0.000 2.506 33 K HA 0.119 4.439 4.320 0.001 0.000 0.204 33 K C -0.231 176.372 176.600 0.004 0.000 1.045 33 K CA -0.291 55.865 56.287 -0.218 0.000 1.074 33 K CB 0.417 32.597 32.500 -0.534 0.000 0.842 33 K HN 0.427 nan 8.250 nan 0.000 0.514 34 T N 2.437 116.996 114.554 0.008 0.000 2.933 34 T HA 0.016 4.367 4.350 0.001 0.000 0.306 34 T C -0.082 174.679 174.700 0.102 0.000 1.045 34 T CA 0.858 62.973 62.100 0.025 0.000 1.143 34 T CB -0.159 68.704 68.868 -0.009 0.000 1.003 34 T HN 0.290 nan 8.240 nan 0.000 0.540 35 Y N 0.729 121.006 120.300 -0.039 0.000 2.689 35 Y HA 0.689 5.239 4.550 0.001 0.000 0.333 35 Y C -1.125 174.744 175.900 -0.052 0.000 1.208 35 Y CA -1.946 56.113 58.100 -0.067 0.000 1.055 35 Y CB 1.197 39.604 38.460 -0.087 0.000 1.304 35 Y HN 0.626 nan 8.280 nan 0.000 0.455 36 M N 0.905 120.527 119.600 0.036 0.000 2.619 36 M HA 0.768 5.249 4.480 0.001 0.000 0.297 36 M C -1.821 174.506 176.300 0.046 0.000 1.229 36 M CA -0.832 54.446 55.300 -0.038 0.000 0.860 36 M CB 2.808 35.397 32.600 -0.019 0.000 1.741 36 M HN 0.692 nan 8.290 nan 0.000 0.462 37 R N 0.944 121.440 120.500 -0.007 0.000 2.750 37 R HA 0.893 5.233 4.340 0.001 0.000 0.281 37 R C -1.927 174.276 176.300 -0.162 0.000 0.972 37 R CA -0.979 55.067 56.100 -0.089 0.000 0.912 37 R CB 2.330 32.612 30.300 -0.030 0.000 1.187 37 R HN 0.784 nan 8.270 nan 0.000 0.464 38 L N 0.508 121.572 121.223 -0.265 0.000 2.422 38 L HA 0.816 5.157 4.340 0.001 0.000 0.264 38 L C -0.905 175.573 176.870 -0.653 0.000 0.984 38 L CA -0.015 54.636 54.840 -0.316 0.000 0.819 38 L CB 2.427 44.450 42.059 -0.060 0.000 1.330 38 L HN 0.770 nan 8.230 nan 0.000 0.410 39 G N 2.353 110.648 108.800 -0.842 0.000 2.623 39 G HA2 0.618 4.578 3.960 0.001 0.000 0.290 39 G HA3 0.618 4.578 3.960 0.001 0.000 0.290 39 G C -2.014 172.576 174.900 -0.518 0.000 1.437 39 G CA -0.459 44.057 45.100 -0.973 0.000 0.798 39 G HN 0.683 nan 8.290 nan 0.000 0.488 40 F N -1.053 118.906 119.950 0.016 0.000 2.565 40 F HA 0.851 5.379 4.527 0.001 0.000 0.313 40 F C -0.659 175.337 175.800 0.328 0.000 1.091 40 F CA -1.604 56.532 58.000 0.227 0.000 0.915 40 F CB 2.256 41.377 39.000 0.200 0.000 1.208 40 F HN 0.312 nan 8.300 nan 0.000 0.453 41 K N 2.247 122.982 120.400 0.558 0.000 2.425 41 K HA 0.608 4.929 4.320 0.001 0.000 0.259 41 K C -0.398 176.423 176.600 0.369 0.000 0.978 41 K CA -0.742 55.764 56.287 0.365 0.000 0.883 41 K CB 1.767 34.390 32.500 0.204 0.000 1.110 41 K HN 1.063 nan 8.250 nan 0.000 0.436 42 G N 2.149 111.183 108.800 0.391 0.000 2.388 42 G HA2 0.412 4.372 3.960 0.001 0.000 0.330 42 G HA3 0.412 4.372 3.960 0.001 0.000 0.330 42 G C -1.256 173.798 174.900 0.258 0.000 1.142 42 G CA -0.256 45.016 45.100 0.287 0.000 0.908 42 G HN 0.593 nan 8.290 nan 0.000 0.473 43 E N 0.045 120.370 120.200 0.208 0.000 2.311 43 E HA 0.483 4.834 4.350 0.001 0.000 0.281 43 E C -1.613 175.083 176.600 0.160 0.000 0.905 43 E CA -0.655 55.868 56.400 0.205 0.000 0.778 43 E CB 2.227 32.025 29.700 0.163 0.000 1.240 43 E HN 0.437 nan 8.360 nan 0.000 0.410 44 T N 3.217 117.865 114.554 0.156 0.000 2.848 44 T HA 0.234 4.584 4.350 0.001 0.000 0.285 44 T C -1.023 173.740 174.700 0.105 0.000 0.995 44 T CA -0.644 61.528 62.100 0.119 0.000 0.970 44 T CB 1.344 70.276 68.868 0.107 0.000 0.976 44 T HN 0.386 nan 8.240 nan 0.000 0.441 45 Q N 4.445 124.293 119.800 0.079 0.000 2.344 45 Q HA 0.199 4.540 4.340 0.001 0.000 0.253 45 Q C 1.169 177.205 176.000 0.060 0.000 1.050 45 Q CA -0.066 55.774 55.803 0.061 0.000 0.912 45 Q CB 1.433 30.194 28.738 0.039 0.000 1.258 45 Q HN 0.622 nan 8.270 nan 0.000 0.443 46 V N 2.222 122.178 119.914 0.069 0.000 2.302 46 V HA -0.096 4.025 4.120 0.001 0.000 0.243 46 V C 1.318 177.446 176.094 0.057 0.000 1.036 46 V CA 2.107 64.448 62.300 0.069 0.000 1.020 46 V CB -0.161 31.716 31.823 0.090 0.000 0.657 46 V HN 0.822 nan 8.190 nan 0.000 0.453 47 T N -3.530 111.053 114.554 0.048 0.000 2.693 47 T HA 0.252 4.602 4.350 0.001 0.000 0.278 47 T C 0.490 175.185 174.700 -0.009 0.000 0.994 47 T CA -0.093 62.025 62.100 0.030 0.000 1.033 47 T CB 1.246 70.147 68.868 0.054 0.000 1.342 47 T HN 0.137 nan 8.240 nan 0.000 0.538 48 D N 0.343 120.730 120.400 -0.023 0.000 2.149 48 D HA -0.112 4.529 4.640 0.001 0.000 0.198 48 D C 1.642 177.872 176.300 -0.118 0.000 0.990 48 D CA 1.507 55.477 54.000 -0.050 0.000 0.839 48 D CB -0.043 40.734 40.800 -0.038 0.000 0.948 48 D HN 0.702 nan 8.370 nan 0.000 0.460 49 Q N -0.880 118.788 119.800 -0.220 0.000 2.214 49 Q HA 0.228 4.569 4.340 0.001 0.000 0.229 49 Q C -0.074 175.593 176.000 -0.555 0.000 0.835 49 Q CA -0.293 55.226 55.803 -0.475 0.000 0.953 49 Q CB 1.333 29.583 28.738 -0.813 0.000 1.131 49 Q HN 0.071 nan 8.270 nan 0.000 0.501 50 L N 1.993 123.076 121.223 -0.234 0.000 2.305 50 L HA 0.469 4.809 4.340 0.001 0.000 0.284 50 L C -0.679 176.233 176.870 0.069 0.000 1.013 50 L CA -0.043 54.802 54.840 0.008 0.000 0.819 50 L CB 1.766 43.957 42.059 0.220 0.000 1.227 50 L HN 0.037 nan 8.230 nan 0.000 0.417 51 T N 1.378 116.006 114.554 0.123 0.000 2.861 51 T HA 0.842 5.192 4.350 0.001 0.000 0.287 51 T C -0.025 174.815 174.700 0.232 0.000 1.003 51 T CA -0.400 61.794 62.100 0.156 0.000 0.977 51 T CB 1.548 70.502 68.868 0.143 0.000 0.996 51 T HN 0.829 nan 8.240 nan 0.000 0.448 52 G N 1.759 110.675 108.800 0.193 0.000 2.389 52 G HA2 0.667 4.627 3.960 0.001 0.000 0.317 52 G HA3 0.667 4.627 3.960 0.001 0.000 0.317 52 G C -1.286 173.760 174.900 0.243 0.000 1.137 52 G CA -1.020 44.172 45.100 0.153 0.000 0.870 52 G HN 1.006 nan 8.290 nan 0.000 0.496 53 Y N -1.213 119.174 120.300 0.145 0.000 2.597 53 Y HA 0.803 5.353 4.550 0.001 0.000 0.340 53 Y C -0.120 175.879 175.900 0.165 0.000 1.097 53 Y CA -1.506 56.686 58.100 0.153 0.000 1.037 53 Y CB 1.427 39.984 38.460 0.162 0.000 1.305 53 Y HN 0.876 nan 8.280 nan 0.000 0.463 54 G N 1.123 110.116 108.800 0.320 0.000 2.719 54 G HA2 0.534 4.494 3.960 0.001 0.000 0.298 54 G HA3 0.534 4.494 3.960 0.001 0.000 0.298 54 G C -2.423 172.539 174.900 0.104 0.000 1.411 54 G CA -0.909 44.300 45.100 0.182 0.000 0.991 54 G HN 0.838 nan 8.290 nan 0.000 0.509 55 Q N 0.159 119.759 119.800 -0.333 0.000 2.379 55 Q HA 0.634 4.974 4.340 0.001 0.000 0.278 55 Q C -2.200 173.448 176.000 -0.586 0.000 1.068 55 Q CA -1.011 54.488 55.803 -0.506 0.000 0.816 55 Q CB 2.927 31.276 28.738 -0.649 0.000 1.387 55 Q HN 0.642 nan 8.270 nan 0.000 0.413 56 W N 3.043 123.853 121.300 -0.817 0.000 3.439 56 W HA 0.501 5.162 4.660 0.000 0.000 0.323 56 W C -1.978 174.258 176.519 -0.471 0.000 1.174 56 W CA -0.213 56.715 57.345 -0.695 0.000 1.224 56 W CB 1.456 30.307 29.460 -1.016 0.000 1.348 56 W HN 0.684 nan 8.180 nan 0.000 0.498 57 E N 4.466 124.097 120.200 -0.949 0.000 2.331 57 E HA 0.412 4.762 4.350 0.001 0.000 0.275 57 E C -2.332 173.749 176.600 -0.865 0.000 0.895 57 E CA -0.877 55.008 56.400 -0.857 0.000 0.753 57 E CB 2.329 31.862 29.700 -0.278 0.000 1.216 57 E HN 0.427 nan 8.360 nan 0.000 0.434 58 Y N 2.041 121.739 120.300 -1.005 0.000 2.433 58 Y HA 0.257 4.807 4.550 0.001 0.000 0.337 58 Y C -1.210 174.349 175.900 -0.567 0.000 1.026 58 Y CA -0.581 57.055 58.100 -0.773 0.000 1.037 58 Y CB 2.059 39.995 38.460 -0.874 0.000 1.245 58 Y HN 0.526 nan 8.280 nan 0.000 0.443 59 Q N 5.730 124.962 119.800 -0.948 0.000 2.293 59 Q HA 0.682 5.022 4.340 0.001 0.000 0.261 59 Q C -1.574 173.777 176.000 -1.082 0.000 0.960 59 Q CA -0.566 54.668 55.803 -0.947 0.000 0.882 59 Q CB 1.045 29.081 28.738 -1.170 0.000 1.275 59 Q HN 0.720 nan 8.270 nan 0.000 0.445 60 I N 3.855 124.089 120.570 -0.559 0.000 2.410 60 I HA 0.239 4.409 4.170 0.001 0.000 0.286 60 I C -0.306 175.678 176.117 -0.222 0.000 1.009 60 I CA -1.034 60.039 61.300 -0.377 0.000 1.111 60 I CB 1.724 39.647 38.000 -0.129 0.000 1.262 60 I HN 0.489 nan 8.210 nan 0.000 0.443 61 Q N 3.853 123.526 119.800 -0.212 0.000 2.352 61 Q HA 0.220 4.561 4.340 0.001 0.000 0.260 61 Q C 0.841 176.834 176.000 -0.011 0.000 0.976 61 Q CA 0.081 55.850 55.803 -0.058 0.000 0.881 61 Q CB 1.589 30.320 28.738 -0.012 0.000 1.235 61 Q HN 0.931 nan 8.270 nan 0.000 0.419 62 G N 1.547 110.362 108.800 0.024 0.000 3.651 62 G HA2 -0.038 3.922 3.960 0.001 0.000 0.279 62 G HA3 -0.038 3.922 3.960 0.001 0.000 0.279 62 G C 0.384 175.286 174.900 0.003 0.000 1.024 62 G CA -0.282 44.823 45.100 0.008 0.000 0.813 62 G HN 0.597 nan 8.290 nan 0.000 0.518 63 N N -0.007 118.693 118.700 0.001 0.000 2.204 63 N HA 0.121 4.861 4.740 0.001 0.000 0.219 63 N C -0.114 175.386 175.510 -0.017 0.000 1.151 63 N CA -0.259 52.781 53.050 -0.016 0.000 0.867 63 N CB 0.620 39.081 38.487 -0.042 0.000 1.043 63 N HN 0.320 nan 8.380 nan 0.000 0.516 64 E N 0.922 121.118 120.200 -0.007 0.000 2.263 64 E HA 0.474 4.825 4.350 0.001 0.000 0.264 64 E C -2.299 174.301 176.600 -0.001 0.000 0.923 64 E CA -1.878 54.520 56.400 -0.004 0.000 0.802 64 E CB 1.584 31.287 29.700 0.004 0.000 1.228 64 E HN 0.159 nan 8.360 nan 0.000 0.417 65 P HA 0.130 nan 4.420 nan 0.000 0.277 65 P C -0.332 176.971 177.300 0.006 0.000 1.271 65 P CA -0.194 62.907 63.100 0.002 0.000 0.795 65 P CB 0.782 32.482 31.700 0.001 0.000 1.101 66 E N -0.492 119.712 120.200 0.006 0.000 2.482 66 E HA -0.077 4.273 4.350 0.001 0.000 0.196 66 E C 1.596 178.202 176.600 0.011 0.000 1.047 66 E CA 0.740 57.145 56.400 0.009 0.000 0.869 66 E CB -0.090 29.615 29.700 0.008 0.000 0.836 66 E HN 0.471 nan 8.360 nan 0.000 0.520 67 S N 0.364 116.069 115.700 0.009 0.000 2.522 67 S HA -0.087 4.384 4.470 0.001 0.000 0.227 67 S C 0.584 175.192 174.600 0.013 0.000 0.986 67 S CA 0.525 58.731 58.200 0.010 0.000 0.929 67 S CB 0.295 63.499 63.200 0.007 0.000 0.769 67 S HN 0.085 nan 8.310 nan 0.000 0.529 68 D N 0.457 120.865 120.400 0.015 0.000 2.826 68 D HA 0.206 4.846 4.640 0.001 0.000 0.239 68 D C -1.484 174.830 176.300 0.022 0.000 1.329 68 D CA -0.188 53.823 54.000 0.019 0.000 0.854 68 D CB -0.139 40.669 40.800 0.014 0.000 1.494 68 D HN 0.350 nan 8.370 nan 0.000 0.540 69 N N 1.280 119.997 118.700 0.028 0.000 2.419 69 N HA 0.434 5.174 4.740 0.001 0.000 0.277 69 N C -0.799 174.735 175.510 0.042 0.000 1.006 69 N CA -0.390 52.677 53.050 0.028 0.000 0.923 69 N CB 0.828 39.329 38.487 0.023 0.000 1.140 69 N HN 0.044 nan 8.380 nan 0.000 0.488 70 S N 1.218 116.949 115.700 0.051 0.000 2.489 70 S HA 0.514 4.985 4.470 0.001 0.000 0.291 70 S C -0.706 173.915 174.600 0.035 0.000 1.151 70 S CA -0.704 57.559 58.200 0.105 0.000 1.082 70 S CB 1.346 64.655 63.200 0.183 0.000 1.019 70 S HN 0.700 nan 8.310 nan 0.000 0.492 71 S N 1.292 117.018 115.700 0.042 0.000 2.596 71 S HA 0.878 5.349 4.470 0.001 0.000 0.270 71 S C -1.645 172.873 174.600 -0.137 0.000 1.155 71 S CA -1.201 56.801 58.200 -0.330 0.000 0.827 71 S CB 1.176 64.165 63.200 -0.351 0.000 1.130 71 S HN 0.953 nan 8.310 nan 0.000 0.467 72 W N -1.074 119.843 121.300 -0.638 0.000 3.153 72 W HA 0.657 5.318 4.660 0.001 0.000 0.316 72 W C -1.600 174.622 176.519 -0.494 0.000 1.255 72 W CA -0.897 56.198 57.345 -0.417 0.000 1.192 72 W CB 0.279 29.609 29.460 -0.217 0.000 1.400 72 W HN 0.563 nan 8.180 nan 0.000 0.568 73 T N 2.871 117.551 114.554 0.210 0.000 2.761 73 T HA 0.232 4.583 4.350 0.001 0.000 0.296 73 T C 1.029 175.830 174.700 0.168 0.000 0.934 73 T CA -0.366 61.890 62.100 0.260 0.000 1.091 73 T CB 1.130 70.234 68.868 0.394 0.000 0.896 73 T HN 0.494 nan 8.240 nan 0.000 0.515 74 R N 1.874 122.389 120.500 0.025 0.000 2.052 74 R HA 0.167 4.508 4.340 0.001 0.000 0.226 74 R C 0.857 177.140 176.300 -0.029 0.000 1.145 74 R CA 0.664 56.775 56.100 0.018 0.000 0.952 74 R CB 0.086 30.370 30.300 -0.026 0.000 0.847 74 R HN 0.606 nan 8.270 nan 0.000 0.431 75 V N -3.753 116.149 119.914 -0.020 0.000 3.007 75 V HA 0.890 5.010 4.120 0.001 0.000 0.311 75 V C -1.455 174.683 176.094 0.073 0.000 1.120 75 V CA -1.208 61.145 62.300 0.089 0.000 0.980 75 V CB 2.032 34.008 31.823 0.255 0.000 1.033 75 V HN 0.112 nan 8.190 nan 0.000 0.429 76 A N 3.930 126.850 122.820 0.167 0.000 2.579 76 A HA 0.857 5.178 4.320 0.001 0.000 0.288 76 A C -1.146 176.530 177.584 0.153 0.000 1.079 76 A CA -0.343 51.767 52.037 0.120 0.000 0.889 76 A CB 0.619 19.767 19.000 0.246 0.000 1.439 76 A HN 2.167 nan 8.150 nan 0.000 0.399 77 F N -0.080 119.925 119.950 0.093 0.000 2.654 77 F HA 0.931 5.458 4.527 0.001 0.000 0.308 77 F C -0.251 175.593 175.800 0.073 0.000 1.108 77 F CA -0.853 57.180 58.000 0.054 0.000 0.957 77 F CB 1.096 40.113 39.000 0.029 0.000 1.309 77 F HN 0.845 nan 8.300 nan 0.000 0.446 78 A N 0.813 123.788 122.820 0.259 0.000 2.354 78 A HA 1.053 5.374 4.320 0.001 0.000 0.321 78 A C -0.311 177.225 177.584 -0.078 0.000 1.125 78 A CA -0.451 51.635 52.037 0.081 0.000 0.799 78 A CB 1.328 20.370 19.000 0.070 0.000 1.293 78 A HN 2.024 nan 8.150 nan 0.000 0.452 79 G N -0.932 107.571 108.800 -0.494 0.000 2.495 79 G HA2 0.559 4.519 3.960 0.001 0.000 0.294 79 G HA3 0.559 4.519 3.960 0.001 0.000 0.294 79 G C -1.945 172.571 174.900 -0.640 0.000 1.397 79 G CA -0.636 44.073 45.100 -0.652 0.000 0.790 79 G HN 0.805 nan 8.290 nan 0.000 0.486 80 L N -0.006 121.140 121.223 -0.129 0.000 2.401 80 L HA 0.693 5.033 4.340 0.001 0.000 0.266 80 L C -0.433 176.651 176.870 0.356 0.000 0.991 80 L CA -0.865 54.063 54.840 0.147 0.000 0.818 80 L CB 2.709 44.877 42.059 0.182 0.000 1.321 80 L HN 0.495 nan 8.230 nan 0.000 0.413 81 K N 2.404 123.032 120.400 0.381 0.000 2.545 81 K HA 0.469 4.789 4.320 0.001 0.000 0.252 81 K C -1.861 174.903 176.600 0.273 0.000 0.948 81 K CA -0.463 56.022 56.287 0.330 0.000 0.827 81 K CB 1.679 34.348 32.500 0.282 0.000 1.128 81 K HN 0.369 nan 8.250 nan 0.000 0.429 82 F N 3.115 123.140 119.950 0.126 0.000 2.427 82 F HA 0.256 4.784 4.527 0.001 0.000 0.346 82 F C 0.176 176.022 175.800 0.077 0.000 1.120 82 F CA -0.461 57.599 58.000 0.099 0.000 1.033 82 F CB 1.568 40.629 39.000 0.100 0.000 1.126 82 F HN 0.487 nan 8.300 nan 0.000 0.462 83 Q N 4.580 124.231 119.800 -0.247 0.000 2.263 83 Q HA 0.077 4.418 4.340 0.001 0.000 0.289 83 Q C -0.016 176.024 176.000 0.067 0.000 1.061 83 Q CA 0.962 56.703 55.803 -0.103 0.000 0.927 83 Q CB 0.060 28.683 28.738 -0.192 0.000 1.154 83 Q HN 0.708 nan 8.270 nan 0.000 0.378 84 D N 1.910 122.363 120.400 0.089 0.000 2.945 84 D HA -0.181 4.460 4.640 0.001 0.000 0.225 84 D C -0.103 176.344 176.300 0.245 0.000 1.158 84 D CA 0.942 55.026 54.000 0.140 0.000 0.805 84 D CB -1.391 39.493 40.800 0.140 0.000 1.098 84 D HN 0.343 nan 8.370 nan 0.000 0.426 85 V N -1.729 118.331 119.914 0.243 0.000 3.442 85 V HA 0.635 4.756 4.120 0.001 0.000 0.205 85 V C 1.279 177.421 176.094 0.080 0.000 1.320 85 V CA 1.039 63.504 62.300 0.275 0.000 1.306 85 V CB 1.114 33.153 31.823 0.360 0.000 1.267 85 V HN 0.544 nan 8.190 nan 0.000 0.538 86 G N 0.306 109.181 108.800 0.125 0.000 2.345 86 G HA2 0.413 4.373 3.960 0.001 0.000 0.285 86 G HA3 0.413 4.373 3.960 0.001 0.000 0.285 86 G C -1.041 173.952 174.900 0.155 0.000 1.297 86 G CA 0.208 45.340 45.100 0.053 0.000 0.875 86 G HN 0.919 nan 8.290 nan 0.000 0.506 87 S N -1.360 114.430 115.700 0.149 0.000 2.599 87 S HA 0.858 5.329 4.470 0.001 0.000 0.294 87 S C -1.377 173.385 174.600 0.269 0.000 1.094 87 S CA -0.693 57.647 58.200 0.232 0.000 0.931 87 S CB 2.409 65.734 63.200 0.208 0.000 1.093 87 S HN 1.812 nan 8.310 nan 0.000 0.488 88 F N 1.805 121.817 119.950 0.104 0.000 2.539 88 F HA 0.640 5.167 4.527 0.000 0.000 0.318 88 F C -1.598 174.194 175.800 -0.014 0.000 1.135 88 F CA -0.566 57.403 58.000 -0.050 0.000 0.915 88 F CB 1.494 40.418 39.000 -0.126 0.000 1.176 88 F HN 0.913 nan 8.300 nan 0.000 0.440 89 D N 3.688 123.584 120.400 -0.840 0.000 2.547 89 D HA 0.456 5.097 4.640 0.001 0.000 0.231 89 D C -1.934 173.891 176.300 -0.792 0.000 1.099 89 D CA -0.625 52.985 54.000 -0.650 0.000 0.901 89 D CB 2.166 42.858 40.800 -0.180 0.000 1.478 89 D HN 0.474 nan 8.370 nan 0.000 0.471 90 Y N 0.098 120.137 120.300 -0.435 0.000 2.504 90 Y HA 0.645 5.195 4.550 0.001 0.000 0.344 90 Y C -0.028 175.905 175.900 0.056 0.000 1.023 90 Y CA 0.285 58.270 58.100 -0.193 0.000 1.020 90 Y CB 1.930 40.349 38.460 -0.070 0.000 1.282 90 Y HN 1.000 nan 8.280 nan 0.000 0.454 91 G N 3.931 112.238 108.800 -0.821 0.000 2.320 91 G HA2 0.036 3.997 3.960 0.001 0.000 0.274 91 G HA3 0.036 3.997 3.960 0.001 0.000 0.274 91 G C -1.725 173.025 174.900 -0.251 0.000 1.324 91 G CA -1.136 43.674 45.100 -0.483 0.000 0.957 91 G HN 0.780 nan 8.290 nan 0.000 0.481 92 R N 0.841 121.319 120.500 -0.037 0.000 2.370 92 R HA 0.492 4.833 4.340 0.001 0.000 0.309 92 R C -0.262 176.156 176.300 0.195 0.000 1.059 92 R CA 0.090 56.217 56.100 0.046 0.000 0.981 92 R CB 0.040 30.373 30.300 0.054 0.000 0.972 92 R HN 0.614 nan 8.270 nan 0.000 0.437 93 N N 2.495 121.323 118.700 0.213 0.000 3.243 93 N HA 0.203 4.944 4.740 0.001 0.000 0.280 93 N C -1.797 173.722 175.510 0.015 0.000 1.545 93 N CA -0.675 52.451 53.050 0.126 0.000 0.854 93 N CB 0.619 39.041 38.487 -0.110 0.000 1.612 93 N HN 0.294 nan 8.380 nan 0.000 0.577 94 Y N 0.309 120.519 120.300 -0.150 0.000 2.299 94 Y HA 0.456 5.006 4.550 0.001 0.000 0.326 94 Y C 1.492 177.003 175.900 -0.649 0.000 1.164 94 Y CA 0.006 57.942 58.100 -0.273 0.000 1.234 94 Y CB 0.765 39.112 38.460 -0.188 0.000 1.219 94 Y HN 0.476 nan 8.280 nan 0.000 0.497 95 G N 0.805 109.246 108.800 -0.598 0.000 2.544 95 G HA2 0.282 4.243 3.960 0.001 0.000 0.242 95 G HA3 0.282 4.243 3.960 0.001 0.000 0.242 95 G C 0.926 175.625 174.900 -0.333 0.000 1.247 95 G CA -0.183 44.439 45.100 -0.796 0.000 0.840 95 G HN 0.800 nan 8.290 nan 0.000 0.578 96 V N 0.712 120.443 119.914 -0.306 0.000 2.913 96 V HA -0.108 4.012 4.120 0.001 0.000 0.260 96 V C 2.453 178.462 176.094 -0.142 0.000 1.098 96 V CA 1.416 63.611 62.300 -0.176 0.000 1.121 96 V CB -0.724 31.016 31.823 -0.137 0.000 0.714 96 V HN 0.404 nan 8.190 nan 0.000 0.487 97 V N -0.173 119.659 119.914 -0.138 0.000 2.392 97 V HA -0.268 3.853 4.120 0.001 0.000 0.249 97 V C 2.408 178.398 176.094 -0.174 0.000 1.059 97 V CA 2.628 64.837 62.300 -0.151 0.000 1.051 97 V CB -1.143 30.594 31.823 -0.143 0.000 0.658 97 V HN 0.684 nan 8.190 nan 0.000 0.455 98 Y N 1.311 121.451 120.300 -0.266 0.000 2.497 98 Y HA -0.147 4.403 4.550 0.001 0.000 0.292 98 Y C 2.103 177.848 175.900 -0.258 0.000 1.137 98 Y CA 1.006 58.953 58.100 -0.255 0.000 1.285 98 Y CB -0.319 38.058 38.460 -0.139 0.000 0.991 98 Y HN 0.353 nan 8.280 nan 0.000 0.556 99 D N -0.882 119.377 120.400 -0.235 0.000 2.228 99 D HA -0.168 4.472 4.640 0.001 0.000 0.203 99 D C 2.042 177.999 176.300 -0.571 0.000 0.988 99 D CA 1.540 55.368 54.000 -0.286 0.000 0.864 99 D CB 0.001 40.696 40.800 -0.175 0.000 0.928 99 D HN 0.323 nan 8.370 nan 0.000 0.469 100 V N -0.065 119.428 119.914 -0.703 0.000 2.908 100 V HA -0.064 4.056 4.120 0.001 0.000 0.240 100 V C 2.441 177.989 176.094 -0.910 0.000 1.117 100 V CA 1.406 63.018 62.300 -1.147 0.000 1.133 100 V CB -0.100 31.269 31.823 -0.756 0.000 0.857 100 V HN 0.256 nan 8.190 nan 0.000 0.478 101 T N -0.672 113.553 114.554 -0.548 0.000 3.035 101 T HA -0.131 4.219 4.350 0.001 0.000 0.268 101 T C 1.968 176.478 174.700 -0.317 0.000 1.109 101 T CA 1.383 63.298 62.100 -0.309 0.000 1.119 101 T CB -0.413 68.339 68.868 -0.192 0.000 0.900 101 T HN 0.551 nan 8.240 nan 0.000 0.503 102 S N 0.161 115.395 115.700 -0.777 0.000 2.419 102 S HA -0.126 4.344 4.470 0.001 0.000 0.233 102 S C 1.629 176.184 174.600 -0.075 0.000 1.016 102 S CA 0.494 58.220 58.200 -0.789 0.000 0.974 102 S CB -1.023 61.455 63.200 -1.204 0.000 0.786 102 S HN 0.656 nan 8.310 nan 0.000 0.492 103 W N 2.987 124.178 121.300 -0.181 0.000 2.350 103 W HA 0.014 4.675 4.660 0.002 0.000 0.289 103 W C 2.653 179.229 176.519 0.095 0.000 1.215 103 W CA 1.437 58.777 57.345 -0.007 0.000 1.236 103 W CB -1.633 27.816 29.460 -0.017 0.000 1.130 103 W HN 0.630 nan 8.180 nan 0.000 0.541 104 T N -3.797 110.904 114.554 0.245 0.000 3.060 104 T HA 0.008 4.359 4.350 0.001 0.000 0.249 104 T C 0.510 175.294 174.700 0.141 0.000 1.079 104 T CA 0.220 62.428 62.100 0.181 0.000 1.013 104 T CB -0.008 68.912 68.868 0.086 0.000 0.975 104 T HN -0.194 nan 8.240 nan 0.000 0.518 105 D N 2.592 123.075 120.400 0.138 0.000 2.713 105 D HA 0.200 4.841 4.640 0.001 0.000 0.229 105 D C 0.853 177.207 176.300 0.090 0.000 1.136 105 D CA -0.302 53.790 54.000 0.153 0.000 1.010 105 D CB -0.016 40.950 40.800 0.277 0.000 1.084 105 D HN 0.370 nan 8.370 nan 0.000 0.495 106 V N -0.329 119.611 119.914 0.044 0.000 3.261 106 V HA 0.331 4.452 4.120 0.001 0.000 0.330 106 V C 0.409 176.477 176.094 -0.045 0.000 1.461 106 V CA -0.582 61.690 62.300 -0.048 0.000 1.127 106 V CB -0.724 30.984 31.823 -0.190 0.000 1.044 106 V HN 0.069 nan 8.190 nan 0.000 0.499 107 L N 0.866 122.091 121.223 0.004 0.000 2.453 107 L HA 0.370 4.710 4.340 0.001 0.000 0.261 107 L C -0.843 175.959 176.870 -0.112 0.000 1.179 107 L CA -1.314 53.525 54.840 -0.002 0.000 0.813 107 L CB 0.581 42.691 42.059 0.085 0.000 1.110 107 L HN 0.052 nan 8.230 nan 0.000 0.466 108 P HA -0.175 nan 4.420 nan 0.000 0.215 108 P C 0.811 177.692 177.300 -0.697 0.000 1.153 108 P CA 1.183 63.981 63.100 -0.502 0.000 0.853 108 P CB 0.409 31.853 31.700 -0.427 0.000 0.788 109 E N -2.892 117.029 120.200 -0.466 0.000 2.717 109 E HA 0.156 4.506 4.350 0.001 0.000 0.204 109 E C 0.703 177.057 176.600 -0.411 0.000 0.911 109 E CA 0.157 56.264 56.400 -0.489 0.000 1.370 109 E CB -0.347 28.948 29.700 -0.674 0.000 1.315 109 E HN -0.081 nan 8.360 nan 0.000 0.643 110 F N 0.726 120.679 119.950 0.005 0.000 2.192 110 F HA 0.652 5.179 4.527 0.001 0.000 0.269 110 F C 1.496 177.339 175.800 0.073 0.000 0.946 110 F CA 0.336 58.345 58.000 0.016 0.000 1.139 110 F CB -0.427 38.538 39.000 -0.058 0.000 1.877 110 F HN 0.194 nan 8.300 nan 0.000 0.571 111 G N -1.093 107.943 108.800 0.392 0.000 2.795 111 G HA2 0.371 4.332 3.960 0.001 0.000 0.664 111 G HA3 0.371 4.332 3.960 0.001 0.000 0.664 111 G C 0.465 175.436 174.900 0.119 0.000 1.381 111 G CA -0.243 45.003 45.100 0.244 0.000 0.853 111 G HN 1.890 nan 8.290 nan 0.000 0.545 112 G N -0.706 108.116 108.800 0.038 0.000 2.249 112 G HA2 0.058 4.018 3.960 0.001 0.000 0.273 112 G HA3 0.058 4.018 3.960 0.001 0.000 0.273 112 G C 0.517 175.129 174.900 -0.479 0.000 1.036 112 G CA 1.419 46.476 45.100 -0.071 0.000 0.824 112 G HN 2.330 nan 8.290 nan 0.000 0.504 113 D N -0.954 119.219 120.400 -0.377 0.000 2.740 113 D HA 0.103 4.743 4.640 0.001 0.000 0.301 113 D C 1.328 177.462 176.300 -0.277 0.000 1.408 113 D CA 0.499 54.289 54.000 -0.351 0.000 0.808 113 D CB -0.681 40.066 40.800 -0.088 0.000 1.128 113 D HN 0.431 nan 8.370 nan 0.000 0.465 114 T N -1.706 112.639 114.554 -0.349 0.000 3.272 114 T HA 0.258 4.609 4.350 0.001 0.000 0.250 114 T C 0.137 174.867 174.700 0.051 0.000 1.082 114 T CA -0.030 62.013 62.100 -0.095 0.000 0.968 114 T CB -1.014 67.865 68.868 0.019 0.000 1.015 114 T HN 0.361 nan 8.240 nan 0.000 0.563 115 Y N -2.548 117.792 120.300 0.067 0.000 2.741 115 Y HA 0.708 5.259 4.550 0.001 0.000 0.339 115 Y C -1.525 174.411 175.900 0.059 0.000 1.226 115 Y CA -1.897 56.252 58.100 0.082 0.000 1.072 115 Y CB 0.484 39.005 38.460 0.101 0.000 1.331 115 Y HN -0.063 nan 8.280 nan 0.000 0.453 116 D N -0.007 120.559 120.400 0.278 0.000 2.585 116 D HA 0.473 5.113 4.640 0.001 0.000 0.254 116 D C -0.939 175.449 176.300 0.146 0.000 1.067 116 D CA -0.764 53.310 54.000 0.124 0.000 1.090 116 D CB 2.170 42.987 40.800 0.029 0.000 1.408 116 D HN 0.532 nan 8.370 nan 0.000 0.554 117 S N 0.200 115.915 115.700 0.024 0.000 2.592 117 S HA 0.078 4.548 4.470 0.001 0.000 0.271 117 S C -0.013 174.566 174.600 -0.034 0.000 1.326 117 S CA -0.340 57.842 58.200 -0.030 0.000 1.024 117 S CB 0.294 63.425 63.200 -0.115 0.000 0.921 117 S HN 0.425 nan 8.310 nan 0.000 0.527 118 D N 1.220 121.596 120.400 -0.039 0.000 2.701 118 D HA -0.204 4.437 4.640 0.001 0.000 0.235 118 D C -0.273 175.991 176.300 -0.061 0.000 1.155 118 D CA 0.652 54.616 54.000 -0.059 0.000 0.649 118 D CB -1.268 39.480 40.800 -0.086 0.000 1.050 118 D HN 0.671 nan 8.370 nan 0.000 0.425 119 N N 0.323 119.028 118.700 0.008 0.000 2.904 119 N HA 0.258 4.999 4.740 0.001 0.000 0.257 119 N C 0.386 175.988 175.510 0.154 0.000 1.363 119 N CA -0.479 52.600 53.050 0.048 0.000 0.856 119 N CB 0.455 39.057 38.487 0.192 0.000 1.166 119 N HN -0.078 nan 8.380 nan 0.000 0.499 120 F N 0.124 120.148 119.950 0.124 0.000 1.692 120 F HA -0.404 4.124 4.527 0.000 0.000 0.191 120 F C 1.268 177.174 175.800 0.177 0.000 0.146 120 F CA 1.064 59.124 58.000 0.100 0.000 0.579 120 F CB -0.483 38.555 39.000 0.064 0.000 2.449 120 F HN 0.355 nan 8.300 nan 0.000 0.549 121 M N 0.573 120.410 119.600 0.396 0.000 2.723 121 M HA 0.119 4.599 4.480 0.001 0.000 0.270 121 M C 0.876 177.243 176.300 0.111 0.000 1.282 121 M CA 0.374 55.873 55.300 0.332 0.000 0.995 121 M CB -0.030 32.721 32.600 0.251 0.000 1.430 121 M HN 0.431 nan 8.290 nan 0.000 0.477 122 Q N -0.275 119.595 119.800 0.117 0.000 2.297 122 Q HA 0.133 4.473 4.340 0.001 0.000 0.203 122 Q C 1.214 177.131 176.000 -0.138 0.000 0.931 122 Q CA 0.692 56.471 55.803 -0.040 0.000 0.885 122 Q CB 0.827 29.576 28.738 0.019 0.000 0.991 122 Q HN 0.553 nan 8.270 nan 0.000 0.498 123 Q N -0.385 119.401 119.800 -0.022 0.000 3.080 123 Q HA 0.319 4.660 4.340 0.001 0.000 0.380 123 Q C -0.856 175.091 176.000 -0.089 0.000 0.757 123 Q CA -0.732 55.017 55.803 -0.090 0.000 0.878 123 Q CB 1.344 30.088 28.738 0.010 0.000 1.438 123 Q HN 0.013 nan 8.270 nan 0.000 0.419 124 R N -0.396 119.936 120.500 -0.280 0.000 2.640 124 R HA 0.340 4.681 4.340 0.001 0.000 0.270 124 R C -0.001 176.305 176.300 0.010 0.000 1.024 124 R CA 0.972 56.890 56.100 -0.304 0.000 1.085 124 R CB 0.154 30.179 30.300 -0.458 0.000 0.963 124 R HN 0.624 nan 8.270 nan 0.000 0.426 125 G N 1.464 110.362 108.800 0.164 0.000 2.576 125 G HA2 0.148 4.109 3.960 0.001 0.000 0.290 125 G HA3 0.148 4.109 3.960 0.001 0.000 0.290 125 G C -1.477 173.292 174.900 -0.218 0.000 1.442 125 G CA -0.990 44.100 45.100 -0.017 0.000 0.792 125 G HN 0.603 nan 8.290 nan 0.000 0.491 126 N N -0.423 118.087 118.700 -0.316 0.000 2.530 126 N HA 0.442 5.182 4.740 0.001 0.000 0.277 126 N C 0.982 176.206 175.510 -0.476 0.000 1.168 126 N CA 0.757 53.630 53.050 -0.294 0.000 0.979 126 N CB 1.163 39.549 38.487 -0.168 0.000 1.141 126 N HN 1.497 nan 8.380 nan 0.000 0.459 127 G N 0.897 109.465 108.800 -0.388 0.000 2.246 127 G HA2 -0.282 3.678 3.960 0.001 0.000 0.273 127 G HA3 -0.282 3.678 3.960 0.001 0.000 0.273 127 G C -0.522 174.206 174.900 -0.287 0.000 1.055 127 G CA -0.301 44.585 45.100 -0.357 0.000 0.851 127 G HN 0.394 nan 8.290 nan 0.000 0.500 128 F N 0.614 120.454 119.950 -0.184 0.000 2.456 128 F HA 0.547 5.075 4.527 0.001 0.000 0.358 128 F C 0.855 176.649 175.800 -0.011 0.000 1.095 128 F CA -0.225 57.739 58.000 -0.059 0.000 1.216 128 F CB 1.429 40.369 39.000 -0.100 0.000 1.125 128 F HN 0.381 nan 8.300 nan 0.000 0.549 129 A N 2.955 126.025 122.820 0.416 0.000 2.256 129 A HA 0.653 4.973 4.320 0.001 0.000 0.317 129 A C -0.424 177.275 177.584 0.193 0.000 1.318 129 A CA -0.451 51.792 52.037 0.343 0.000 0.894 129 A CB 0.090 19.458 19.000 0.613 0.000 1.165 129 A HN 0.675 nan 8.150 nan 0.000 0.525 130 T N 3.002 117.437 114.554 -0.199 0.000 2.815 130 T HA 0.488 4.839 4.350 0.001 0.000 0.289 130 T C -1.098 173.508 174.700 -0.157 0.000 1.000 130 T CA 0.035 62.073 62.100 -0.103 0.000 0.958 130 T CB 0.190 68.957 68.868 -0.169 0.000 0.944 130 T HN 0.411 nan 8.240 nan 0.000 0.442 131 Y N 2.344 122.762 120.300 0.197 0.000 2.328 131 Y HA 0.586 5.136 4.550 0.001 0.000 0.337 131 Y C 0.967 176.900 175.900 0.054 0.000 1.008 131 Y CA -0.968 57.264 58.100 0.220 0.000 1.129 131 Y CB 1.070 39.706 38.460 0.294 0.000 1.185 131 Y HN 0.309 nan 8.280 nan 0.000 0.476 132 R N 2.159 122.723 120.500 0.107 0.000 2.621 132 R HA 0.364 4.704 4.340 0.001 0.000 0.292 132 R C -1.193 174.968 176.300 -0.231 0.000 0.969 132 R CA -1.053 54.996 56.100 -0.085 0.000 0.887 132 R CB 1.895 32.152 30.300 -0.072 0.000 1.180 132 R HN 0.537 nan 8.270 nan 0.000 0.450 133 N N 1.113 119.475 118.700 -0.565 0.000 2.407 133 N HA 0.257 4.998 4.740 0.001 0.000 0.277 133 N C -1.516 173.712 175.510 -0.470 0.000 0.995 133 N CA -0.125 52.499 53.050 -0.711 0.000 0.903 133 N CB 2.159 39.759 38.487 -1.479 0.000 1.218 133 N HN 0.405 nan 8.380 nan 0.000 0.487 134 T N 2.523 116.918 114.554 -0.265 0.000 2.770 134 T HA 0.240 4.591 4.350 0.001 0.000 0.283 134 T C -0.676 173.996 174.700 -0.046 0.000 0.988 134 T CA -0.217 61.813 62.100 -0.116 0.000 0.957 134 T CB 0.468 69.292 68.868 -0.075 0.000 0.930 134 T HN 0.511 nan 8.240 nan 0.000 0.443 135 D N 2.175 122.604 120.400 0.049 0.000 2.800 135 D HA -0.211 4.430 4.640 0.001 0.000 0.232 135 D C 0.120 176.563 176.300 0.238 0.000 1.137 135 D CA 0.483 54.570 54.000 0.145 0.000 0.718 135 D CB -1.469 39.395 40.800 0.106 0.000 1.084 135 D HN 0.796 nan 8.370 nan 0.000 0.432 136 F N -0.007 119.960 119.950 0.028 0.000 2.594 136 F HA -0.338 4.189 4.527 0.000 0.000 0.208 136 F C 0.237 176.146 175.800 0.181 0.000 1.032 136 F CA 0.998 59.043 58.000 0.076 0.000 0.877 136 F CB -1.733 37.424 39.000 0.261 0.000 0.814 136 F HN 0.177 nan 8.300 nan 0.000 0.844 137 F N 0.439 120.335 119.950 -0.091 0.000 3.057 137 F HA -0.189 4.338 4.527 0.000 0.000 0.287 137 F C 1.545 177.345 175.800 -0.000 0.000 0.834 137 F CA 1.276 59.214 58.000 -0.103 0.000 1.147 137 F CB -1.610 37.235 39.000 -0.259 0.000 1.245 137 F HN 1.151 nan 8.300 nan 0.000 0.509 138 G N -0.420 108.472 108.800 0.153 0.000 2.168 138 G HA2 -0.331 3.629 3.960 0.001 0.000 0.257 138 G HA3 -0.331 3.629 3.960 0.001 0.000 0.257 138 G C 0.777 175.788 174.900 0.186 0.000 0.997 138 G CA 0.410 45.599 45.100 0.148 0.000 0.708 138 G HN 0.577 nan 8.290 nan 0.000 0.520 139 L N -1.172 120.213 121.223 0.269 0.000 2.515 139 L HA 0.281 4.622 4.340 0.001 0.000 0.223 139 L C 0.616 177.671 176.870 0.308 0.000 1.079 139 L CA 0.476 55.494 54.840 0.296 0.000 0.857 139 L CB 0.606 42.895 42.059 0.383 0.000 1.050 139 L HN 0.126 nan 8.230 nan 0.000 0.476 140 V N 0.548 120.675 119.914 0.356 0.000 2.380 140 V HA 0.198 4.318 4.120 0.001 0.000 0.272 140 V C -0.850 175.416 176.094 0.286 0.000 1.011 140 V CA -0.957 61.523 62.300 0.300 0.000 0.826 140 V CB 1.278 33.264 31.823 0.271 0.000 1.040 140 V HN 0.069 nan 8.190 nan 0.000 0.441 141 D N 3.749 124.287 120.400 0.230 0.000 2.487 141 D HA 0.334 4.974 4.640 0.001 0.000 0.243 141 D C 1.287 177.693 176.300 0.175 0.000 1.154 141 D CA 1.856 55.959 54.000 0.171 0.000 0.876 141 D CB 1.484 42.360 40.800 0.127 0.000 1.161 141 D HN 0.896 nan 8.370 nan 0.000 0.478 142 G N 1.793 110.653 108.800 0.099 0.000 2.254 142 G HA2 -0.263 3.697 3.960 0.001 0.000 0.225 142 G HA3 -0.263 3.697 3.960 0.001 0.000 0.225 142 G C 0.152 175.125 174.900 0.122 0.000 1.003 142 G CA -0.198 44.887 45.100 -0.025 0.000 0.622 142 G HN 0.482 nan 8.290 nan 0.000 0.507 143 L N 2.714 124.141 121.223 0.340 0.000 2.261 143 L HA 0.719 5.059 4.340 0.001 0.000 0.289 143 L C -1.048 175.996 176.870 0.290 0.000 1.059 143 L CA -0.917 54.169 54.840 0.410 0.000 0.816 143 L CB 0.835 43.116 42.059 0.371 0.000 1.191 143 L HN 0.112 nan 8.230 nan 0.000 0.431 144 D N 5.155 125.704 120.400 0.249 0.000 2.350 144 D HA 0.584 5.225 4.640 0.001 0.000 0.245 144 D C -0.810 175.639 176.300 0.248 0.000 1.036 144 D CA 0.257 54.350 54.000 0.155 0.000 0.848 144 D CB 1.729 42.577 40.800 0.081 0.000 1.307 144 D HN 0.329 nan 8.370 nan 0.000 0.469 145 F N -0.676 119.318 119.950 0.072 0.000 2.626 145 F HA 0.883 5.411 4.527 0.001 0.000 0.311 145 F C -1.543 174.285 175.800 0.047 0.000 1.088 145 F CA -1.245 56.790 58.000 0.059 0.000 0.949 145 F CB 1.437 40.483 39.000 0.077 0.000 1.322 145 F HN 0.346 nan 8.300 nan 0.000 0.461 146 A N 1.606 124.564 122.820 0.230 0.000 2.486 146 A HA 0.783 5.103 4.320 0.001 0.000 0.300 146 A C -1.978 175.720 177.584 0.190 0.000 1.048 146 A CA -0.829 51.283 52.037 0.125 0.000 0.696 146 A CB 1.647 20.663 19.000 0.026 0.000 1.278 146 A HN 0.879 nan 8.150 nan 0.000 0.405 147 V N 1.627 121.663 119.914 0.204 0.000 2.628 147 V HA 0.684 4.805 4.120 0.001 0.000 0.306 147 V C -0.118 176.034 176.094 0.096 0.000 1.045 147 V CA -0.427 61.936 62.300 0.105 0.000 0.905 147 V CB 1.622 33.514 31.823 0.114 0.000 0.997 147 V HN 0.961 nan 8.190 nan 0.000 0.436 148 Q N 2.426 122.149 119.800 -0.129 0.000 2.315 148 Q HA 0.568 4.909 4.340 0.001 0.000 0.273 148 Q C -2.250 173.613 176.000 -0.228 0.000 1.053 148 Q CA -0.632 55.145 55.803 -0.044 0.000 0.817 148 Q CB 2.515 31.233 28.738 -0.034 0.000 1.326 148 Q HN 0.730 nan 8.270 nan 0.000 0.423 149 Y N 1.115 121.608 120.300 0.321 0.000 2.364 149 Y HA 0.346 4.897 4.550 0.000 0.000 0.340 149 Y C -0.392 175.697 175.900 0.315 0.000 0.975 149 Y CA -0.703 57.571 58.100 0.290 0.000 1.089 149 Y CB 2.129 40.764 38.460 0.291 0.000 1.192 149 Y HN 0.498 nan 8.280 nan 0.000 0.454 150 Q N 2.167 122.185 119.800 0.364 0.000 2.333 150 Q HA 0.567 4.908 4.340 0.001 0.000 0.268 150 Q C -0.123 175.960 176.000 0.138 0.000 1.007 150 Q CA -0.778 55.127 55.803 0.169 0.000 0.810 150 Q CB 1.416 30.164 28.738 0.016 0.000 1.264 150 Q HN 0.985 nan 8.270 nan 0.000 0.452 151 G N 2.865 111.735 108.800 0.116 0.000 2.569 151 G HA2 0.039 4.000 3.960 0.001 0.000 0.249 151 G HA3 0.039 4.000 3.960 0.001 0.000 0.249 151 G C -0.598 174.327 174.900 0.042 0.000 1.216 151 G CA -0.471 44.690 45.100 0.102 0.000 0.845 151 G HN 0.704 nan 8.290 nan 0.000 0.568 152 K N 1.121 121.551 120.400 0.050 0.000 2.466 152 K HA -0.047 4.273 4.320 0.001 0.000 0.278 152 K C -0.485 176.119 176.600 0.007 0.000 1.048 152 K CA 0.189 56.495 56.287 0.031 0.000 1.088 152 K CB 0.033 32.556 32.500 0.037 0.000 0.884 152 K HN 0.425 nan 8.250 nan 0.000 0.478 153 N N 3.581 122.271 118.700 -0.017 0.000 2.621 153 N HA 0.167 4.907 4.740 0.001 0.000 0.237 153 N C -0.103 175.396 175.510 -0.018 0.000 0.997 153 N CA -0.265 52.767 53.050 -0.029 0.000 0.918 153 N CB 1.810 40.254 38.487 -0.071 0.000 1.122 153 N HN 0.760 nan 8.380 nan 0.000 0.510 154 G N 0.447 109.246 108.800 -0.002 0.000 2.641 154 G HA2 0.337 4.297 3.960 0.001 0.000 0.239 154 G HA3 0.337 4.297 3.960 0.001 0.000 0.239 154 G C 0.148 175.050 174.900 0.004 0.000 1.402 154 G CA -0.325 44.778 45.100 0.004 0.000 1.046 154 G HN 0.418 nan 8.290 nan 0.000 0.565 155 S N -1.489 114.208 115.700 -0.004 0.000 2.645 155 S HA 0.507 4.978 4.470 0.001 0.000 0.266 155 S C 0.995 175.601 174.600 0.011 0.000 1.258 155 S CA 0.233 58.427 58.200 -0.010 0.000 0.990 155 S CB 1.582 64.723 63.200 -0.099 0.000 0.967 155 S HN 1.236 nan 8.310 nan 0.000 0.556 156 A N 0.230 123.096 122.820 0.078 0.000 2.275 156 A HA 0.269 4.590 4.320 0.001 0.000 0.212 156 A C 0.675 178.361 177.584 0.170 0.000 1.201 156 A CA 0.030 52.135 52.037 0.114 0.000 0.843 156 A CB -0.662 18.415 19.000 0.127 0.000 0.873 156 A HN 1.011 nan 8.150 nan 0.000 0.492 157 H N -4.209 114.873 119.070 0.020 0.000 3.064 157 H HA 0.493 5.050 4.556 0.002 0.000 0.352 157 H C 0.379 175.711 175.328 0.008 0.000 1.260 157 H CA -0.348 55.708 56.048 0.013 0.000 1.160 157 H CB 0.388 30.160 29.762 0.017 0.000 1.879 157 H HN 1.023 nan 8.280 nan 0.000 0.544 158 G N 1.750 110.521 108.800 -0.048 0.000 2.528 158 G HA2 -0.303 3.658 3.960 0.001 0.000 0.262 158 G HA3 -0.303 3.658 3.960 0.001 0.000 0.262 158 G C -0.156 174.649 174.900 -0.157 0.000 1.200 158 G CA 0.509 45.541 45.100 -0.112 0.000 0.951 158 G HN 0.951 nan 8.290 nan 0.000 0.566 159 E N 1.307 121.376 120.200 -0.218 0.000 2.383 159 E HA 0.471 4.821 4.350 0.001 0.000 0.264 159 E C 1.235 177.737 176.600 -0.164 0.000 1.050 159 E CA 1.501 57.760 56.400 -0.236 0.000 0.896 159 E CB 0.217 29.658 29.700 -0.432 0.000 0.982 159 E HN 2.339 nan 8.360 nan 0.000 0.424 160 G N 3.646 112.380 108.800 -0.111 0.000 2.221 160 G HA2 -0.333 3.628 3.960 0.001 0.000 0.265 160 G HA3 -0.333 3.628 3.960 0.001 0.000 0.265 160 G C 0.121 174.999 174.900 -0.036 0.000 1.041 160 G CA 0.600 45.674 45.100 -0.043 0.000 0.807 160 G HN 0.515 nan 8.290 nan 0.000 0.502 161 M N 1.530 121.101 119.600 -0.049 0.000 2.235 161 M HA 0.585 5.066 4.480 0.001 0.000 0.351 161 M C 0.904 177.198 176.300 -0.009 0.000 1.178 161 M CA 0.416 55.697 55.300 -0.032 0.000 1.143 161 M CB 0.841 33.422 32.600 -0.031 0.000 1.530 161 M HN 0.518 nan 8.290 nan 0.000 0.461 162 T N -0.115 114.440 114.554 0.002 0.000 2.930 162 T HA 0.289 4.640 4.350 0.001 0.000 0.290 162 T C 0.634 175.344 174.700 0.018 0.000 1.052 162 T CA -0.555 61.551 62.100 0.011 0.000 1.017 162 T CB 1.518 70.395 68.868 0.014 0.000 1.137 162 T HN 0.706 nan 8.240 nan 0.000 0.511 163 T N 0.923 115.490 114.554 0.022 0.000 2.833 163 T HA -0.113 4.237 4.350 0.001 0.000 0.269 163 T C 1.294 176.012 174.700 0.029 0.000 1.054 163 T CA 1.770 63.885 62.100 0.026 0.000 1.135 163 T CB -0.839 68.047 68.868 0.029 0.000 0.869 163 T HN 0.793 nan 8.240 nan 0.000 0.466 164 N N 0.861 119.578 118.700 0.029 0.000 2.378 164 N HA 0.229 4.970 4.740 0.001 0.000 0.243 164 N C 0.561 176.083 175.510 0.020 0.000 1.137 164 N CA -0.217 52.849 53.050 0.027 0.000 0.862 164 N CB -0.516 37.986 38.487 0.025 0.000 1.116 164 N HN 0.329 nan 8.380 nan 0.000 0.499 165 G N 0.946 109.761 108.800 0.024 0.000 2.690 165 G HA2 0.244 4.204 3.960 0.001 0.000 0.239 165 G HA3 0.244 4.204 3.960 0.001 0.000 0.239 165 G C -0.098 174.822 174.900 0.032 0.000 1.233 165 G CA -0.602 44.513 45.100 0.025 0.000 0.847 165 G HN 0.621 nan 8.290 nan 0.000 0.588 166 R N 0.562 121.083 120.500 0.034 0.000 2.548 166 R HA 0.298 4.639 4.340 0.001 0.000 0.280 166 R C -1.319 175.016 176.300 0.060 0.000 1.061 166 R CA -0.828 55.295 56.100 0.039 0.000 0.915 166 R CB 1.584 31.893 30.300 0.015 0.000 1.210 166 R HN 0.311 nan 8.270 nan 0.000 0.442 167 D N 0.470 120.919 120.400 0.081 0.000 2.323 167 D HA -0.064 4.576 4.640 0.001 0.000 0.209 167 D C -0.270 176.079 176.300 0.082 0.000 0.973 167 D CA 0.995 55.064 54.000 0.116 0.000 0.874 167 D CB 0.190 41.068 40.800 0.129 0.000 0.930 167 D HN 0.512 nan 8.370 nan 0.000 0.521 168 D N 0.666 121.102 120.400 0.061 0.000 2.346 168 D HA -0.035 4.606 4.640 0.001 0.000 0.260 168 D C 1.725 178.054 176.300 0.049 0.000 1.252 168 D CA -0.152 53.889 54.000 0.068 0.000 0.895 168 D CB 1.247 42.092 40.800 0.076 0.000 1.097 168 D HN -0.088 nan 8.370 nan 0.000 0.489 169 V N 2.592 122.498 119.914 -0.013 0.000 2.594 169 V HA -0.165 3.956 4.120 0.001 0.000 0.253 169 V C 1.875 177.985 176.094 0.026 0.000 1.069 169 V CA 1.033 63.313 62.300 -0.033 0.000 1.082 169 V CB -1.106 30.676 31.823 -0.069 0.000 0.680 169 V HN 0.358 nan 8.190 nan 0.000 0.469 170 F N 1.416 121.452 119.950 0.142 0.000 2.451 170 F HA 0.094 4.622 4.527 0.002 0.000 0.299 170 F C 2.377 178.190 175.800 0.022 0.000 1.101 170 F CA 1.518 59.597 58.000 0.132 0.000 1.436 170 F CB -0.397 38.548 39.000 -0.091 0.000 1.074 170 F HN 0.280 nan 8.300 nan 0.000 0.553 171 E N -0.904 119.360 120.200 0.107 0.000 2.498 171 E HA 0.056 4.407 4.350 0.001 0.000 0.203 171 E C 0.528 177.081 176.600 -0.079 0.000 1.013 171 E CA -0.130 56.263 56.400 -0.012 0.000 0.927 171 E CB 0.225 29.919 29.700 -0.010 0.000 1.012 171 E HN 0.446 nan 8.360 nan 0.000 0.482 172 Q N 1.517 121.274 119.800 -0.072 0.000 2.396 172 Q HA 0.226 4.566 4.340 0.001 0.000 0.221 172 Q C 0.046 175.929 176.000 -0.195 0.000 1.025 172 Q CA -0.077 55.671 55.803 -0.091 0.000 0.946 172 Q CB 0.689 29.406 28.738 -0.034 0.000 1.224 172 Q HN 0.130 nan 8.270 nan 0.000 0.539 173 N N -1.473 117.166 118.700 -0.102 0.000 2.859 173 N HA 0.331 5.071 4.740 0.001 0.000 0.250 173 N C -1.020 174.521 175.510 0.051 0.000 1.341 173 N CA -0.577 52.461 53.050 -0.020 0.000 0.881 173 N CB 1.028 39.500 38.487 -0.024 0.000 1.516 173 N HN 0.618 nan 8.380 nan 0.000 0.503 174 G N -0.302 108.566 108.800 0.114 0.000 2.532 174 G HA2 0.285 4.245 3.960 0.001 0.000 0.291 174 G HA3 0.285 4.245 3.960 0.001 0.000 0.291 174 G C -0.622 174.335 174.900 0.095 0.000 1.349 174 G CA -0.341 44.811 45.100 0.086 0.000 1.038 174 G HN 0.590 nan 8.290 nan 0.000 0.518 175 D N -0.240 120.212 120.400 0.087 0.000 2.493 175 D HA 0.431 5.072 4.640 0.001 0.000 0.240 175 D C 0.586 176.959 176.300 0.121 0.000 1.142 175 D CA 0.899 54.964 54.000 0.109 0.000 0.872 175 D CB 1.165 42.028 40.800 0.104 0.000 1.173 175 D HN 0.541 nan 8.370 nan 0.000 0.467 176 G N -0.107 108.785 108.800 0.153 0.000 2.612 176 G HA2 0.555 4.516 3.960 0.001 0.000 0.298 176 G HA3 0.555 4.516 3.960 0.001 0.000 0.298 176 G C -1.407 173.585 174.900 0.154 0.000 1.336 176 G CA -0.581 44.602 45.100 0.140 0.000 0.953 176 G HN 0.406 nan 8.290 nan 0.000 0.482 177 V N 0.226 120.185 119.914 0.075 0.000 2.789 177 V HA 0.986 5.107 4.120 0.001 0.000 0.311 177 V C 0.046 176.102 176.094 -0.063 0.000 1.073 177 V CA 0.321 62.608 62.300 -0.023 0.000 0.921 177 V CB 1.847 33.668 31.823 -0.004 0.000 1.009 177 V HN 1.477 nan 8.190 nan 0.000 0.426 178 G N 3.036 111.763 108.800 -0.121 0.000 2.690 178 G HA2 0.780 4.741 3.960 0.001 0.000 0.293 178 G HA3 0.780 4.741 3.960 0.001 0.000 0.293 178 G C -0.715 174.127 174.900 -0.097 0.000 1.399 178 G CA -0.223 44.821 45.100 -0.094 0.000 0.890 178 G HN 1.328 nan 8.290 nan 0.000 0.485 179 G N -0.785 107.977 108.800 -0.063 0.000 2.659 179 G HA2 0.795 4.755 3.960 0.001 0.000 0.296 179 G HA3 0.795 4.755 3.960 0.001 0.000 0.296 179 G C -0.661 174.232 174.900 -0.011 0.000 1.369 179 G CA 0.098 45.188 45.100 -0.016 0.000 0.937 179 G HN 1.587 nan 8.290 nan 0.000 0.485 180 S N -0.311 115.408 115.700 0.031 0.000 2.540 180 S HA 0.803 5.274 4.470 0.001 0.000 0.275 180 S C -1.001 173.658 174.600 0.098 0.000 1.123 180 S CA -0.763 57.449 58.200 0.018 0.000 0.907 180 S CB 1.722 64.900 63.200 -0.038 0.000 1.081 180 S HN 0.647 nan 8.310 nan 0.000 0.476 181 I N 2.233 122.853 120.570 0.083 0.000 2.545 181 I HA 0.646 4.816 4.170 0.001 0.000 0.292 181 I C -0.366 175.832 176.117 0.134 0.000 1.040 181 I CA -0.596 60.790 61.300 0.144 0.000 1.068 181 I CB 2.638 40.707 38.000 0.114 0.000 1.251 181 I HN 0.970 nan 8.210 nan 0.000 0.424 182 T N 1.474 116.151 114.554 0.205 0.000 2.900 182 T HA 0.591 4.942 4.350 0.001 0.000 0.303 182 T C -1.478 173.434 174.700 0.353 0.000 1.142 182 T CA -0.809 61.461 62.100 0.283 0.000 1.007 182 T CB 2.144 71.210 68.868 0.329 0.000 1.156 182 T HN 0.455 nan 8.240 nan 0.000 0.490 183 Y N 1.757 122.190 120.300 0.223 0.000 2.354 183 Y HA 0.537 5.087 4.550 0.001 0.000 0.330 183 Y C -1.118 174.882 175.900 0.167 0.000 1.011 183 Y CA -1.049 57.153 58.100 0.169 0.000 1.099 183 Y CB 1.649 40.184 38.460 0.125 0.000 1.179 183 Y HN 0.822 nan 8.280 nan 0.000 0.442 184 N N 5.254 123.719 118.700 -0.391 0.000 2.321 184 N HA 0.311 5.052 4.740 0.001 0.000 0.299 184 N C -2.129 173.116 175.510 -0.442 0.000 1.048 184 N CA -0.600 52.257 53.050 -0.322 0.000 0.836 184 N CB 2.597 40.952 38.487 -0.221 0.000 1.269 184 N HN 0.686 nan 8.380 nan 0.000 0.486 185 Y N 0.747 120.862 120.300 -0.308 0.000 2.323 185 Y HA 0.066 4.617 4.550 0.001 0.000 0.322 185 Y C -0.355 175.579 175.900 0.058 0.000 1.133 185 Y CA -0.388 57.613 58.100 -0.165 0.000 1.093 185 Y CB 0.739 39.141 38.460 -0.097 0.000 1.203 185 Y HN 0.653 nan 8.280 nan 0.000 0.427 186 E N 4.449 124.401 120.200 -0.414 0.000 2.269 186 E HA -0.303 4.048 4.350 0.001 0.000 0.223 186 E C 1.077 177.646 176.600 -0.051 0.000 1.244 186 E CA 1.331 57.590 56.400 -0.234 0.000 0.713 186 E CB -1.169 28.400 29.700 -0.220 0.000 1.178 186 E HN 1.288 nan 8.360 nan 0.000 0.370 187 G N -0.874 107.807 108.800 -0.199 0.000 2.268 187 G HA2 -0.334 3.626 3.960 0.001 0.000 0.240 187 G HA3 -0.334 3.626 3.960 0.001 0.000 0.240 187 G C 0.059 174.687 174.900 -0.454 0.000 1.010 187 G CA 0.120 44.949 45.100 -0.452 0.000 0.618 187 G HN 0.243 nan 8.290 nan 0.000 0.516 188 F N 1.974 121.893 119.950 -0.050 0.000 2.410 188 F HA 0.589 5.116 4.527 0.001 0.000 0.348 188 F C 1.062 176.810 175.800 -0.086 0.000 1.106 188 F CA 0.224 58.245 58.000 0.035 0.000 1.163 188 F CB 1.717 40.809 39.000 0.152 0.000 1.129 188 F HN 0.282 nan 8.300 nan 0.000 0.516 189 G N 3.778 112.563 108.800 -0.025 0.000 2.495 189 G HA2 0.698 4.658 3.960 0.001 0.000 0.318 189 G HA3 0.698 4.658 3.960 0.001 0.000 0.318 189 G C -1.812 173.151 174.900 0.104 0.000 1.257 189 G CA -0.658 44.335 45.100 -0.179 0.000 0.962 189 G HN 0.696 nan 8.290 nan 0.000 0.483 190 I N 1.128 121.904 120.570 0.345 0.000 2.692 190 I HA 0.767 4.937 4.170 0.001 0.000 0.293 190 I C -0.258 176.172 176.117 0.521 0.000 1.200 190 I CA -0.596 60.982 61.300 0.463 0.000 1.036 190 I CB 2.195 40.379 38.000 0.308 0.000 1.258 190 I HN 0.798 nan 8.210 nan 0.000 0.421 191 G N 4.956 113.970 108.800 0.358 0.000 2.718 191 G HA2 0.807 4.768 3.960 0.001 0.000 0.295 191 G HA3 0.807 4.768 3.960 0.001 0.000 0.295 191 G C -2.115 172.774 174.900 -0.017 0.000 1.421 191 G CA -0.336 44.824 45.100 0.099 0.000 0.902 191 G HN 0.848 nan 8.290 nan 0.000 0.501 192 A N -0.467 122.343 122.820 -0.016 0.000 2.435 192 A HA 1.052 5.372 4.320 0.001 0.000 0.304 192 A C -0.231 177.325 177.584 -0.046 0.000 1.064 192 A CA -0.086 51.941 52.037 -0.016 0.000 0.727 192 A CB 1.857 20.880 19.000 0.037 0.000 1.284 192 A HN 2.356 nan 8.150 nan 0.000 0.415 193 A N 0.492 123.282 122.820 -0.051 0.000 2.539 193 A HA 0.792 5.112 4.320 0.001 0.000 0.296 193 A C -1.406 176.148 177.584 -0.051 0.000 1.073 193 A CA -0.506 51.490 52.037 -0.067 0.000 0.700 193 A CB 1.605 20.528 19.000 -0.129 0.000 1.296 193 A HN 1.541 nan 8.150 nan 0.000 0.405 194 V N 1.274 121.143 119.914 -0.074 0.000 2.808 194 V HA 0.789 4.909 4.120 0.001 0.000 0.308 194 V C -0.253 175.742 176.094 -0.166 0.000 1.099 194 V CA -0.061 62.156 62.300 -0.138 0.000 0.920 194 V CB 2.199 33.987 31.823 -0.057 0.000 1.014 194 V HN 1.462 nan 8.190 nan 0.000 0.425 195 S N 2.060 117.611 115.700 -0.248 0.000 2.546 195 S HA 0.833 5.304 4.470 0.001 0.000 0.274 195 S C -0.874 173.599 174.600 -0.212 0.000 1.121 195 S CA -0.674 57.423 58.200 -0.171 0.000 0.887 195 S CB 2.103 65.240 63.200 -0.106 0.000 1.094 195 S HN 0.850 nan 8.310 nan 0.000 0.474 196 S N 1.522 117.146 115.700 -0.125 0.000 2.775 196 S HA 0.668 5.139 4.470 0.001 0.000 0.277 196 S C -1.178 173.387 174.600 -0.059 0.000 1.156 196 S CA -0.427 57.703 58.200 -0.117 0.000 1.081 196 S CB 0.719 63.870 63.200 -0.083 0.000 1.054 196 S HN 0.770 nan 8.310 nan 0.000 0.482 197 S N 3.583 119.223 115.700 -0.100 0.000 2.503 197 S HA 0.482 4.953 4.470 0.001 0.000 0.301 197 S C -0.567 173.993 174.600 -0.068 0.000 1.087 197 S CA -0.834 57.350 58.200 -0.026 0.000 1.042 197 S CB 1.559 64.801 63.200 0.070 0.000 1.043 197 S HN 0.735 nan 8.310 nan 0.000 0.489 198 K N 1.729 122.139 120.400 0.017 0.000 2.249 198 K HA 0.264 4.585 4.320 0.001 0.000 0.280 198 K C -0.427 176.202 176.600 0.048 0.000 1.033 198 K CA -0.318 55.975 56.287 0.009 0.000 0.946 198 K CB 0.519 33.040 32.500 0.036 0.000 1.005 198 K HN 0.501 nan 8.250 nan 0.000 0.469 199 R N 1.674 122.169 120.500 -0.008 0.000 2.349 199 R HA 0.122 4.463 4.340 0.001 0.000 0.299 199 R C 0.185 176.493 176.300 0.015 0.000 1.027 199 R CA -0.475 55.633 56.100 0.014 0.000 0.958 199 R CB 1.288 31.507 30.300 -0.135 0.000 1.047 199 R HN 0.742 nan 8.270 nan 0.000 0.468 200 T N -1.578 112.994 114.554 0.030 0.000 2.754 200 T HA -0.014 4.337 4.350 0.001 0.000 0.286 200 T C 0.934 175.682 174.700 0.081 0.000 0.997 200 T CA -0.594 61.546 62.100 0.066 0.000 0.982 200 T CB 0.708 69.615 68.868 0.064 0.000 1.027 200 T HN 0.779 nan 8.240 nan 0.000 0.529 201 W N 0.706 121.986 121.300 -0.033 0.000 2.358 201 W HA -0.035 4.624 4.660 -0.000 0.000 0.303 201 W C 1.712 178.215 176.519 -0.026 0.000 1.208 201 W CA 1.582 58.909 57.345 -0.030 0.000 1.274 201 W CB -0.366 29.076 29.460 -0.030 0.000 1.138 201 W HN 0.776 nan 8.180 nan 0.000 0.515 202 D N -0.181 120.344 120.400 0.209 0.000 2.149 202 D HA -0.241 4.399 4.640 0.001 0.000 0.198 202 D C 2.120 178.376 176.300 -0.074 0.000 0.990 202 D CA 1.912 55.952 54.000 0.067 0.000 0.839 202 D CB -0.608 40.266 40.800 0.123 0.000 0.948 202 D HN 0.494 nan 8.370 nan 0.000 0.460 203 Q N -0.288 119.474 119.800 -0.063 0.000 2.369 203 Q HA 0.018 4.358 4.340 0.001 0.000 0.206 203 Q C 0.956 176.883 176.000 -0.122 0.000 0.963 203 Q CA 0.637 56.407 55.803 -0.055 0.000 0.894 203 Q CB 0.002 28.613 28.738 -0.213 0.000 0.965 203 Q HN 0.160 nan 8.270 nan 0.000 0.475 204 N N 0.459 119.022 118.700 -0.229 0.000 2.254 204 N HA 0.063 4.803 4.740 0.001 0.000 0.190 204 N C -0.005 175.295 175.510 -0.349 0.000 1.107 204 N CA 0.233 53.133 53.050 -0.250 0.000 0.869 204 N CB 0.570 38.902 38.487 -0.258 0.000 0.983 204 N HN 0.239 nan 8.380 nan 0.000 0.487 205 N N 0.101 118.494 118.700 -0.512 0.000 2.571 205 N HA 0.098 4.839 4.740 0.001 0.000 0.298 205 N C -0.127 175.176 175.510 -0.345 0.000 1.671 205 N CA 0.216 52.898 53.050 -0.615 0.000 0.900 205 N CB 1.013 38.616 38.487 -1.472 0.000 1.365 205 N HN 0.123 nan 8.380 nan 0.000 0.493 206 T N -4.236 110.218 114.554 -0.167 0.000 3.275 206 T HA 0.314 4.665 4.350 0.001 0.000 0.298 206 T C 1.123 175.809 174.700 -0.023 0.000 0.988 206 T CA 0.216 62.277 62.100 -0.065 0.000 0.936 206 T CB 0.664 69.511 68.868 -0.035 0.000 1.159 206 T HN 0.202 nan 8.240 nan 0.000 0.519 207 G N 1.540 110.326 108.800 -0.023 0.000 2.179 207 G HA2 -0.222 3.739 3.960 0.001 0.000 0.260 207 G HA3 -0.222 3.739 3.960 0.001 0.000 0.260 207 G C -0.018 174.908 174.900 0.043 0.000 0.977 207 G CA 0.182 45.287 45.100 0.010 0.000 0.641 207 G HN 0.644 nan 8.290 nan 0.000 0.533 208 L N 0.937 122.199 121.223 0.065 0.000 2.468 208 L HA 0.650 4.990 4.340 0.001 0.000 0.254 208 L C 1.643 178.615 176.870 0.169 0.000 1.171 208 L CA -0.884 54.023 54.840 0.110 0.000 0.809 208 L CB 0.541 42.662 42.059 0.103 0.000 1.155 208 L HN 0.376 nan 8.230 nan 0.000 0.473 209 I N -1.849 118.843 120.570 0.203 0.000 2.834 209 I HA 0.596 4.767 4.170 0.001 0.000 0.305 209 I C 0.926 177.250 176.117 0.345 0.000 1.008 209 I CA -0.314 61.125 61.300 0.231 0.000 1.273 209 I CB 1.120 39.256 38.000 0.227 0.000 1.432 209 I HN 0.746 nan 8.210 nan 0.000 0.557 210 G N 2.372 111.340 108.800 0.280 0.000 2.198 210 G HA2 -0.233 3.728 3.960 0.001 0.000 0.257 210 G HA3 -0.233 3.728 3.960 0.001 0.000 0.257 210 G C 0.156 175.183 174.900 0.211 0.000 1.042 210 G CA 0.290 45.568 45.100 0.297 0.000 0.791 210 G HN 1.256 nan 8.290 nan 0.000 0.502 211 T N -1.698 112.937 114.554 0.136 0.000 2.868 211 T HA 0.802 5.152 4.350 0.001 0.000 0.292 211 T C 0.703 175.389 174.700 -0.024 0.000 1.028 211 T CA 0.428 62.535 62.100 0.013 0.000 1.059 211 T CB 2.566 71.434 68.868 0.001 0.000 0.991 211 T HN 2.062 nan 8.240 nan 0.000 0.531 212 G N 0.650 109.402 108.800 -0.081 0.000 2.316 212 G HA2 0.300 4.261 3.960 0.001 0.000 0.296 212 G HA3 0.300 4.261 3.960 0.001 0.000 0.296 212 G C -0.264 174.579 174.900 -0.095 0.000 1.399 212 G CA -0.077 44.983 45.100 -0.068 0.000 0.833 212 G HN 0.643 nan 8.290 nan 0.000 0.565 213 D N -0.642 119.716 120.400 -0.070 0.000 2.097 213 D HA 0.044 4.684 4.640 0.001 0.000 0.197 213 D C 1.067 177.315 176.300 -0.087 0.000 0.984 213 D CA 1.219 55.182 54.000 -0.062 0.000 0.826 213 D CB 0.185 40.962 40.800 -0.038 0.000 0.973 213 D HN 0.418 nan 8.370 nan 0.000 0.460 214 R N -0.712 119.720 120.500 -0.112 0.000 2.795 214 R HA 0.739 5.079 4.340 0.001 0.000 0.275 214 R C -1.084 175.066 176.300 -0.250 0.000 0.981 214 R CA -0.985 55.022 56.100 -0.155 0.000 0.917 214 R CB 2.240 32.475 30.300 -0.108 0.000 1.202 214 R HN -0.038 nan 8.270 nan 0.000 0.469 215 A N 1.835 124.399 122.820 -0.427 0.000 2.305 215 A HA 0.496 4.816 4.320 0.001 0.000 0.322 215 A C -0.732 176.625 177.584 -0.378 0.000 1.187 215 A CA -0.451 51.215 52.037 -0.617 0.000 0.825 215 A CB 0.726 18.756 19.000 -1.618 0.000 1.164 215 A HN 0.745 nan 8.150 nan 0.000 0.498 216 E N 0.540 120.612 120.200 -0.214 0.000 2.308 216 E HA 0.551 4.902 4.350 0.001 0.000 0.275 216 E C -1.104 175.411 176.600 -0.142 0.000 0.890 216 E CA -0.733 55.562 56.400 -0.176 0.000 0.754 216 E CB 2.397 32.066 29.700 -0.051 0.000 1.207 216 E HN 0.721 nan 8.360 nan 0.000 0.426 217 T N -0.569 113.774 114.554 -0.352 0.000 2.886 217 T HA 0.602 4.953 4.350 0.001 0.000 0.292 217 T C -1.302 173.095 174.700 -0.504 0.000 1.012 217 T CA -0.663 61.283 62.100 -0.256 0.000 0.982 217 T CB 0.556 69.337 68.868 -0.146 0.000 1.018 217 T HN 0.373 nan 8.240 nan 0.000 0.451 218 Y N 0.982 121.294 120.300 0.020 0.000 2.326 218 Y HA 0.583 5.133 4.550 0.000 0.000 0.329 218 Y C 0.346 176.236 175.900 -0.016 0.000 0.973 218 Y CA -0.869 57.244 58.100 0.021 0.000 1.162 218 Y CB 2.476 40.981 38.460 0.076 0.000 1.147 218 Y HN 0.735 nan 8.280 nan 0.000 0.456 219 T N 2.384 116.986 114.554 0.080 0.000 2.824 219 T HA 0.711 5.061 4.350 0.001 0.000 0.282 219 T C 0.018 174.745 174.700 0.044 0.000 0.993 219 T CA -0.881 61.230 62.100 0.018 0.000 0.967 219 T CB 1.619 70.441 68.868 -0.077 0.000 0.960 219 T HN 0.852 nan 8.240 nan 0.000 0.441 220 G N 0.434 109.291 108.800 0.095 0.000 2.481 220 G HA2 0.767 4.728 3.960 0.001 0.000 0.315 220 G HA3 0.767 4.728 3.960 0.001 0.000 0.315 220 G C -0.734 174.219 174.900 0.089 0.000 1.231 220 G CA -0.926 44.234 45.100 0.101 0.000 0.968 220 G HN 0.952 nan 8.290 nan 0.000 0.482 221 G N -0.572 108.273 108.800 0.076 0.000 2.742 221 G HA2 0.608 4.569 3.960 0.001 0.000 0.296 221 G HA3 0.608 4.569 3.960 0.001 0.000 0.296 221 G C -1.505 173.608 174.900 0.356 0.000 1.436 221 G CA -0.614 44.564 45.100 0.131 0.000 0.928 221 G HN 0.674 nan 8.290 nan 0.000 0.520 222 L N 0.685 122.150 121.223 0.403 0.000 2.409 222 L HA 0.792 5.132 4.340 0.001 0.000 0.262 222 L C -0.307 176.708 176.870 0.242 0.000 0.992 222 L CA -0.977 54.073 54.840 0.351 0.000 0.817 222 L CB 2.925 45.118 42.059 0.224 0.000 1.350 222 L HN 0.853 nan 8.230 nan 0.000 0.411 223 K N 0.920 121.336 120.400 0.027 0.000 2.556 223 K HA 0.586 4.906 4.320 0.001 0.000 0.274 223 K C -2.010 174.452 176.600 -0.230 0.000 0.966 223 K CA -0.993 55.159 56.287 -0.225 0.000 0.865 223 K CB 2.309 34.484 32.500 -0.541 0.000 1.444 223 K HN 0.361 nan 8.250 nan 0.000 0.433 224 Y N 1.167 121.162 120.300 -0.508 0.000 2.373 224 Y HA 0.421 4.971 4.550 0.001 0.000 0.336 224 Y C -1.824 173.727 175.900 -0.581 0.000 0.979 224 Y CA -0.794 56.972 58.100 -0.557 0.000 1.080 224 Y CB 2.204 40.361 38.460 -0.506 0.000 1.190 224 Y HN 0.874 nan 8.280 nan 0.000 0.446 225 D N 4.936 124.708 120.400 -1.046 0.000 2.429 225 D HA 0.668 5.308 4.640 0.001 0.000 0.255 225 D C -1.610 174.228 176.300 -0.771 0.000 1.257 225 D CA 0.147 53.734 54.000 -0.688 0.000 0.890 225 D CB 0.393 40.969 40.800 -0.374 0.000 1.267 225 D HN 0.816 nan 8.370 nan 0.000 0.521 226 A N 2.405 124.688 122.820 -0.895 0.000 2.597 226 A HA 0.558 4.878 4.320 0.001 0.000 0.292 226 A C -0.322 177.044 177.584 -0.364 0.000 1.057 226 A CA -0.760 50.905 52.037 -0.621 0.000 0.674 226 A CB 0.785 19.371 19.000 -0.689 0.000 1.278 226 A HN 0.224 nan 8.150 nan 0.000 0.416 227 N N 0.815 119.388 118.700 -0.212 0.000 2.735 227 N HA -0.234 4.507 4.740 0.001 0.000 0.248 227 N C 0.269 175.684 175.510 -0.158 0.000 1.083 227 N CA 1.536 54.517 53.050 -0.114 0.000 0.703 227 N CB -1.644 36.843 38.487 -0.000 0.000 1.005 227 N HN 1.022 nan 8.380 nan 0.000 0.550 228 N N -2.173 116.374 118.700 -0.255 0.000 2.863 228 N HA -0.231 4.509 4.740 0.001 0.000 0.245 228 N C -0.613 174.654 175.510 -0.406 0.000 1.001 228 N CA 1.206 54.012 53.050 -0.405 0.000 0.901 228 N CB -0.763 37.364 38.487 -0.600 0.000 1.124 228 N HN 0.506 nan 8.380 nan 0.000 0.582 229 I N 0.417 120.884 120.570 -0.173 0.000 2.377 229 I HA 0.336 4.506 4.170 0.001 0.000 0.293 229 I C -0.614 175.503 176.117 0.001 0.000 0.987 229 I CA -0.778 60.526 61.300 0.007 0.000 1.185 229 I CB 1.030 39.137 38.000 0.178 0.000 1.341 229 I HN 0.001 nan 8.210 nan 0.000 0.455 230 Y N 7.167 127.425 120.300 -0.070 0.000 2.338 230 Y HA 0.648 5.198 4.550 0.001 0.000 0.328 230 Y C -1.379 174.516 175.900 -0.008 0.000 0.965 230 Y CA -0.590 57.456 58.100 -0.090 0.000 1.208 230 Y CB 1.060 39.450 38.460 -0.117 0.000 1.132 230 Y HN 0.367 nan 8.280 nan 0.000 0.469 231 L N 5.674 126.672 121.223 -0.375 0.000 2.365 231 L HA 0.985 5.325 4.340 0.001 0.000 0.273 231 L C -0.760 175.868 176.870 -0.403 0.000 1.000 231 L CA -0.990 53.719 54.840 -0.218 0.000 0.819 231 L CB 1.937 43.960 42.059 -0.061 0.000 1.284 231 L HN 0.732 nan 8.230 nan 0.000 0.418 232 A N 2.421 125.135 122.820 -0.177 0.000 2.604 232 A HA 0.957 5.278 4.320 0.001 0.000 0.295 232 A C -1.591 176.014 177.584 0.034 0.000 1.067 232 A CA -0.263 51.725 52.037 -0.081 0.000 0.683 232 A CB 1.991 20.971 19.000 -0.033 0.000 1.281 232 A HN 0.816 nan 8.150 nan 0.000 0.407 233 A N 0.791 123.664 122.820 0.088 0.000 2.549 233 A HA 0.848 5.169 4.320 0.001 0.000 0.297 233 A C -1.052 176.584 177.584 0.087 0.000 1.061 233 A CA -0.302 51.752 52.037 0.028 0.000 0.690 233 A CB 1.727 20.793 19.000 0.111 0.000 1.287 233 A HN 2.012 nan 8.150 nan 0.000 0.402 234 Q N 0.087 119.878 119.800 -0.016 0.000 2.315 234 Q HA 0.666 5.007 4.340 0.001 0.000 0.273 234 Q C -1.860 174.253 176.000 0.188 0.000 1.053 234 Q CA -0.591 55.255 55.803 0.072 0.000 0.817 234 Q CB 1.650 30.390 28.738 0.003 0.000 1.326 234 Q HN 0.942 nan 8.270 nan 0.000 0.423 235 Y N 1.371 121.766 120.300 0.158 0.000 2.326 235 Y HA 0.663 5.213 4.550 0.001 0.000 0.329 235 Y C -1.401 174.585 175.900 0.144 0.000 0.973 235 Y CA -0.385 57.856 58.100 0.236 0.000 1.162 235 Y CB 2.207 40.843 38.460 0.294 0.000 1.147 235 Y HN 0.822 nan 8.280 nan 0.000 0.456 236 T N 6.445 120.723 114.554 -0.460 0.000 2.807 236 T HA 0.286 4.636 4.350 0.001 0.000 0.279 236 T C -1.142 173.218 174.700 -0.567 0.000 0.993 236 T CA -0.642 61.240 62.100 -0.362 0.000 0.970 236 T CB 1.326 70.112 68.868 -0.136 0.000 0.950 236 T HN 0.648 nan 8.240 nan 0.000 0.441 237 Q N 2.548 122.152 119.800 -0.326 0.000 2.348 237 Q HA 0.538 4.879 4.340 0.001 0.000 0.265 237 Q C -0.370 175.591 176.000 -0.065 0.000 0.998 237 Q CA -0.650 55.028 55.803 -0.208 0.000 0.831 237 Q CB 0.816 29.545 28.738 -0.014 0.000 1.251 237 Q HN 0.812 nan 8.270 nan 0.000 0.456 238 T N 0.553 114.978 114.554 -0.214 0.000 2.932 238 T HA 0.601 4.952 4.350 0.001 0.000 0.289 238 T C -1.002 173.461 174.700 -0.394 0.000 1.039 238 T CA -0.481 61.536 62.100 -0.138 0.000 1.024 238 T CB 0.901 69.743 68.868 -0.042 0.000 1.090 238 T HN 0.424 nan 8.240 nan 0.000 0.496 239 Y N 0.869 121.190 120.300 0.035 0.000 2.346 239 Y HA 0.418 4.969 4.550 0.002 0.000 0.332 239 Y C 0.594 176.459 175.900 -0.058 0.000 0.985 239 Y CA -1.152 56.961 58.100 0.021 0.000 1.112 239 Y CB 1.467 39.952 38.460 0.041 0.000 1.170 239 Y HN 0.794 nan 8.280 nan 0.000 0.447 240 N N 0.774 119.531 118.700 0.095 0.000 2.693 240 N HA -0.255 4.485 4.740 0.001 0.000 0.249 240 N C 0.448 175.875 175.510 -0.139 0.000 1.119 240 N CA 1.173 54.218 53.050 -0.008 0.000 0.717 240 N CB -0.894 37.520 38.487 -0.121 0.000 1.071 240 N HN 0.803 nan 8.380 nan 0.000 0.555 241 A N -1.308 121.530 122.820 0.031 0.000 2.026 241 A HA 0.186 4.506 4.320 0.001 0.000 0.198 241 A C 0.876 178.742 177.584 0.469 0.000 1.390 241 A CA 0.631 52.727 52.037 0.098 0.000 0.915 241 A CB 0.310 19.286 19.000 -0.040 0.000 0.974 241 A HN 0.179 nan 8.150 nan 0.000 0.477 242 T N 1.614 116.383 114.554 0.359 0.000 2.794 242 T HA 0.347 4.697 4.350 0.001 0.000 0.296 242 T C 0.179 175.105 174.700 0.377 0.000 0.949 242 T CA -0.217 62.078 62.100 0.324 0.000 1.101 242 T CB 0.688 69.665 68.868 0.183 0.000 0.905 242 T HN 0.430 nan 8.240 nan 0.000 0.516 243 R N 2.550 123.203 120.500 0.256 0.000 2.438 243 R HA 0.331 4.671 4.340 0.001 0.000 0.287 243 R C -0.976 175.303 176.300 -0.035 0.000 1.077 243 R CA -0.273 55.837 56.100 0.017 0.000 1.034 243 R CB 0.349 30.565 30.300 -0.140 0.000 0.993 243 R HN 0.418 nan 8.270 nan 0.000 0.459 244 V N 6.267 126.128 119.914 -0.088 0.000 2.235 244 V HA 0.293 4.414 4.120 0.001 0.000 0.266 244 V C 1.124 177.082 176.094 -0.226 0.000 1.055 244 V CA 0.227 62.492 62.300 -0.059 0.000 0.844 244 V CB -0.015 31.863 31.823 0.093 0.000 1.097 244 V HN 1.198 nan 8.190 nan 0.000 0.453 245 G N 4.463 113.087 108.800 -0.292 0.000 2.634 245 G HA2 -0.361 3.600 3.960 0.001 0.000 0.309 245 G HA3 -0.361 3.600 3.960 0.001 0.000 0.309 245 G C 1.184 175.818 174.900 -0.444 0.000 1.265 245 G CA 0.891 45.778 45.100 -0.356 0.000 0.998 245 G HN 1.201 nan 8.290 nan 0.000 0.551 246 S N 0.036 115.537 115.700 -0.331 0.000 2.524 246 S HA 0.320 4.790 4.470 0.001 0.000 0.216 246 S C 2.384 176.936 174.600 -0.080 0.000 0.987 246 S CA 1.073 59.127 58.200 -0.243 0.000 0.909 246 S CB 0.114 63.222 63.200 -0.154 0.000 0.781 246 S HN 0.607 nan 8.310 nan 0.000 0.521 247 L N 1.166 122.324 121.223 -0.109 0.000 2.131 247 L HA 0.197 4.538 4.340 0.001 0.000 0.210 247 L C 1.791 178.695 176.870 0.057 0.000 1.092 247 L CA 1.041 55.878 54.840 -0.005 0.000 0.759 247 L CB -1.041 41.016 42.059 -0.003 0.000 0.903 247 L HN 0.687 nan 8.230 nan 0.000 0.435 248 G N -2.424 106.388 108.800 0.020 0.000 2.286 248 G HA2 -0.067 3.893 3.960 0.001 0.000 0.118 248 G HA3 -0.067 3.893 3.960 0.001 0.000 0.118 248 G C -1.706 173.097 174.900 -0.161 0.000 1.267 248 G CA -0.668 44.386 45.100 -0.078 0.000 1.171 248 G HN -0.018 nan 8.290 nan 0.000 0.465 249 W N 0.532 121.984 121.300 0.253 0.000 2.762 249 W HA 0.717 5.378 4.660 0.003 0.000 0.355 249 W C 0.203 176.818 176.519 0.160 0.000 1.124 249 W CA -0.288 57.190 57.345 0.221 0.000 1.141 249 W CB 2.045 31.639 29.460 0.223 0.000 1.432 249 W HN 0.932 nan 8.180 nan 0.000 0.586 250 A N 2.037 125.078 122.820 0.368 0.000 2.269 250 A HA 0.196 4.517 4.320 0.001 0.000 0.302 250 A C 0.965 178.661 177.584 0.186 0.000 1.266 250 A CA -0.356 51.816 52.037 0.224 0.000 0.894 250 A CB 0.167 19.256 19.000 0.149 0.000 1.147 250 A HN 0.653 nan 8.150 nan 0.000 0.537 251 N N 1.299 120.099 118.700 0.166 0.000 2.064 251 N HA -0.179 4.561 4.740 0.001 0.000 0.200 251 N C 0.594 176.171 175.510 0.113 0.000 1.028 251 N CA 1.750 54.886 53.050 0.144 0.000 0.880 251 N CB -0.135 38.429 38.487 0.128 0.000 1.062 251 N HN 0.793 nan 8.380 nan 0.000 0.454 252 K N -0.291 120.131 120.400 0.036 0.000 2.422 252 K HA 0.631 4.952 4.320 0.001 0.000 0.251 252 K C -1.814 174.722 176.600 -0.107 0.000 0.933 252 K CA -0.615 55.590 56.287 -0.135 0.000 0.798 252 K CB 2.135 34.575 32.500 -0.101 0.000 1.238 252 K HN 0.084 nan 8.250 nan 0.000 0.428 253 A N 3.162 125.870 122.820 -0.186 0.000 2.486 253 A HA 0.437 4.757 4.320 0.001 0.000 0.300 253 A C -1.677 175.837 177.584 -0.117 0.000 1.048 253 A CA -0.746 51.238 52.037 -0.089 0.000 0.696 253 A CB 1.774 20.760 19.000 -0.024 0.000 1.278 253 A HN 0.703 nan 8.150 nan 0.000 0.405 254 Q N 1.850 121.629 119.800 -0.035 0.000 2.363 254 Q HA 0.353 4.693 4.340 0.001 0.000 0.265 254 Q C -1.190 174.833 176.000 0.037 0.000 1.032 254 Q CA -0.749 55.051 55.803 -0.004 0.000 0.746 254 Q CB 1.620 30.472 28.738 0.190 0.000 1.237 254 Q HN 0.681 nan 8.270 nan 0.000 0.475 255 N N 2.292 120.936 118.700 -0.094 0.000 2.399 255 N HA 0.511 5.251 4.740 0.001 0.000 0.295 255 N C -1.435 174.181 175.510 0.177 0.000 1.048 255 N CA -0.264 52.805 53.050 0.031 0.000 0.886 255 N CB 1.384 39.874 38.487 0.006 0.000 1.185 255 N HN 0.442 nan 8.380 nan 0.000 0.487 256 F N 0.705 120.724 119.950 0.116 0.000 2.574 256 F HA 0.380 4.907 4.527 0.001 0.000 0.313 256 F C -1.032 174.847 175.800 0.131 0.000 1.130 256 F CA -0.641 57.488 58.000 0.216 0.000 0.936 256 F CB 1.537 40.732 39.000 0.324 0.000 1.219 256 F HN 0.354 nan 8.300 nan 0.000 0.445 257 E N 4.652 124.467 120.200 -0.643 0.000 2.256 257 E HA 0.766 5.116 4.350 0.001 0.000 0.268 257 E C -1.506 174.688 176.600 -0.677 0.000 0.877 257 E CA -1.288 54.817 56.400 -0.491 0.000 0.757 257 E CB 2.196 31.783 29.700 -0.189 0.000 1.183 257 E HN 0.704 nan 8.360 nan 0.000 0.418 258 A N 2.055 124.643 122.820 -0.387 0.000 2.449 258 A HA 0.742 5.062 4.320 0.001 0.000 0.302 258 A C -1.060 176.527 177.584 0.006 0.000 1.048 258 A CA -0.637 51.294 52.037 -0.177 0.000 0.708 258 A CB 1.397 20.370 19.000 -0.045 0.000 1.274 258 A HN 0.306 nan 8.150 nan 0.000 0.410 259 V N -0.160 119.786 119.914 0.053 0.000 2.925 259 V HA 0.898 5.018 4.120 0.001 0.000 0.311 259 V C -0.012 176.154 176.094 0.120 0.000 1.104 259 V CA -0.379 61.987 62.300 0.110 0.000 0.954 259 V CB 1.708 33.630 31.823 0.164 0.000 1.022 259 V HN 1.697 nan 8.190 nan 0.000 0.427 260 A N 3.086 125.984 122.820 0.131 0.000 2.359 260 A HA 0.876 5.196 4.320 0.001 0.000 0.303 260 A C -0.889 176.786 177.584 0.151 0.000 1.066 260 A CA -0.525 51.589 52.037 0.128 0.000 0.730 260 A CB 1.726 20.783 19.000 0.095 0.000 1.211 260 A HN 0.827 nan 8.150 nan 0.000 0.439 261 Q N 0.167 120.074 119.800 0.177 0.000 2.421 261 Q HA 0.570 4.911 4.340 0.001 0.000 0.280 261 Q C -2.068 174.030 176.000 0.163 0.000 1.085 261 Q CA -0.666 55.232 55.803 0.160 0.000 0.807 261 Q CB 3.082 31.899 28.738 0.133 0.000 1.405 261 Q HN 0.742 nan 8.270 nan 0.000 0.419 262 Y N 0.935 121.214 120.300 -0.035 0.000 2.386 262 Y HA 0.292 4.842 4.550 0.001 0.000 0.334 262 Y C -1.313 174.460 175.900 -0.212 0.000 1.002 262 Y CA -0.701 57.303 58.100 -0.161 0.000 1.068 262 Y CB 1.986 40.281 38.460 -0.274 0.000 1.203 262 Y HN 0.514 nan 8.280 nan 0.000 0.443 263 Q N 5.534 124.863 119.800 -0.783 0.000 2.390 263 Q HA 0.368 4.708 4.340 0.001 0.000 0.249 263 Q C -1.696 173.856 176.000 -0.746 0.000 0.996 263 Q CA -0.176 55.289 55.803 -0.564 0.000 0.899 263 Q CB 0.040 28.513 28.738 -0.442 0.000 1.216 263 Q HN 0.563 nan 8.270 nan 0.000 0.465 264 F N 1.930 121.658 119.950 -0.370 0.000 2.450 264 F HA 0.047 4.574 4.527 0.001 0.000 0.339 264 F C 1.450 176.990 175.800 -0.434 0.000 1.146 264 F CA 0.249 58.018 58.000 -0.385 0.000 1.267 264 F CB 0.730 39.267 39.000 -0.772 0.000 1.178 264 F HN 0.603 nan 8.300 nan 0.000 0.585 265 D N 1.710 122.083 120.400 -0.045 0.000 2.144 265 D HA -0.207 4.433 4.640 0.001 0.000 0.199 265 D C 1.971 178.283 176.300 0.019 0.000 0.984 265 D CA 1.615 55.611 54.000 -0.007 0.000 0.834 265 D CB -0.257 40.609 40.800 0.111 0.000 0.955 265 D HN 0.541 nan 8.370 nan 0.000 0.465 266 F N -0.996 119.039 119.950 0.142 0.000 2.771 266 F HA 0.311 4.839 4.527 0.001 0.000 0.299 266 F C 1.522 177.361 175.800 0.064 0.000 1.177 266 F CA 0.613 58.683 58.000 0.118 0.000 1.450 266 F CB -0.115 38.971 39.000 0.143 0.000 1.114 266 F HN 0.008 nan 8.300 nan 0.000 0.587 267 G N 0.360 108.999 108.800 -0.268 0.000 2.296 267 G HA2 -0.186 3.775 3.960 0.001 0.000 0.188 267 G HA3 -0.186 3.775 3.960 0.001 0.000 0.188 267 G C -0.354 174.381 174.900 -0.274 0.000 1.000 267 G CA -0.202 44.697 45.100 -0.336 0.000 0.672 267 G HN 0.388 nan 8.290 nan 0.000 0.483 268 L N 1.624 122.723 121.223 -0.205 0.000 2.380 268 L HA 0.770 5.110 4.340 0.001 0.000 0.273 268 L C 0.619 177.595 176.870 0.177 0.000 1.138 268 L CA -0.306 54.594 54.840 0.100 0.000 0.832 268 L CB 0.875 43.035 42.059 0.169 0.000 1.124 268 L HN 0.230 nan 8.230 nan 0.000 0.454 269 R N 5.853 126.473 120.500 0.199 0.000 2.487 269 R HA 0.464 4.805 4.340 0.001 0.000 0.288 269 R C -2.672 173.740 176.300 0.186 0.000 1.394 269 R CA -1.650 54.560 56.100 0.182 0.000 1.155 269 R CB 1.090 31.512 30.300 0.204 0.000 1.156 269 R HN 0.438 nan 8.270 nan 0.000 0.553 270 P HA 0.117 nan 4.420 nan 0.000 0.275 270 P C -1.109 176.290 177.300 0.165 0.000 1.228 270 P CA -0.252 62.975 63.100 0.211 0.000 0.786 270 P CB 1.682 33.541 31.700 0.264 0.000 0.927 271 S N 2.174 117.960 115.700 0.145 0.000 2.547 271 S HA 0.690 5.160 4.470 0.001 0.000 0.281 271 S C -1.642 173.038 174.600 0.133 0.000 1.118 271 S CA -0.597 57.680 58.200 0.128 0.000 0.947 271 S CB 0.246 63.508 63.200 0.103 0.000 1.053 271 S HN 0.298 nan 8.310 nan 0.000 0.482 272 L N 4.625 125.925 121.223 0.128 0.000 2.406 272 L HA 0.935 5.275 4.340 0.001 0.000 0.272 272 L C -0.608 176.337 176.870 0.124 0.000 0.980 272 L CA -0.025 54.889 54.840 0.123 0.000 0.831 272 L CB 1.192 43.317 42.059 0.110 0.000 1.253 272 L HN 0.837 nan 8.230 nan 0.000 0.406 273 A N 4.179 127.075 122.820 0.128 0.000 2.454 273 A HA 0.738 5.059 4.320 0.001 0.000 0.302 273 A C -2.173 175.483 177.584 0.119 0.000 1.079 273 A CA -0.493 51.611 52.037 0.113 0.000 0.731 273 A CB 1.329 20.385 19.000 0.094 0.000 1.299 273 A HN 0.717 nan 8.150 nan 0.000 0.413 274 Y N 1.445 121.714 120.300 -0.051 0.000 2.329 274 Y HA 0.655 5.205 4.550 0.001 0.000 0.328 274 Y C -1.748 174.039 175.900 -0.188 0.000 0.992 274 Y CA -0.719 57.327 58.100 -0.089 0.000 1.151 274 Y CB 1.188 39.662 38.460 0.024 0.000 1.150 274 Y HN 0.577 nan 8.280 nan 0.000 0.450 275 L N 5.558 126.240 121.223 -0.901 0.000 2.342 275 L HA 0.638 4.979 4.340 0.001 0.000 0.271 275 L C -0.839 175.524 176.870 -0.845 0.000 1.008 275 L CA -0.498 53.874 54.840 -0.781 0.000 0.818 275 L CB 2.165 43.722 42.059 -0.837 0.000 1.296 275 L HN 0.704 nan 8.230 nan 0.000 0.427 276 Q N 1.118 120.689 119.800 -0.380 0.000 2.352 276 Q HA 0.574 4.915 4.340 0.001 0.000 0.270 276 Q C -1.809 174.188 176.000 -0.004 0.000 1.006 276 Q CA -0.356 55.343 55.803 -0.173 0.000 0.880 276 Q CB 2.168 30.932 28.738 0.044 0.000 1.392 276 Q HN 0.553 nan 8.270 nan 0.000 0.401 277 S N 3.233 118.934 115.700 0.003 0.000 2.756 277 S HA 0.484 4.955 4.470 0.001 0.000 0.303 277 S C -1.541 173.084 174.600 0.041 0.000 1.135 277 S CA -0.605 57.617 58.200 0.037 0.000 1.066 277 S CB 0.678 63.895 63.200 0.028 0.000 1.008 277 S HN 0.482 nan 8.310 nan 0.000 0.482 278 K N 3.182 123.611 120.400 0.048 0.000 2.281 278 K HA 0.406 4.727 4.320 0.001 0.000 0.272 278 K C 0.443 177.044 176.600 0.001 0.000 1.048 278 K CA -0.621 55.680 56.287 0.024 0.000 0.898 278 K CB 1.455 33.981 32.500 0.044 0.000 1.128 278 K HN 0.645 nan 8.250 nan 0.000 0.460 279 G N 3.319 112.101 108.800 -0.031 0.000 2.380 279 G HA2 0.129 4.089 3.960 0.001 0.000 0.262 279 G HA3 0.129 4.089 3.960 0.001 0.000 0.262 279 G C -0.329 174.544 174.900 -0.045 0.000 1.243 279 G CA -0.410 44.670 45.100 -0.033 0.000 0.865 279 G HN 0.321 nan 8.290 nan 0.000 0.513 280 K N 1.782 122.173 120.400 -0.014 0.000 2.292 280 K HA 0.232 4.552 4.320 0.001 0.000 0.257 280 K C 0.222 176.836 176.600 0.023 0.000 0.940 280 K CA -1.102 55.183 56.287 -0.003 0.000 0.811 280 K CB 1.598 34.100 32.500 0.004 0.000 1.120 280 K HN 0.620 nan 8.250 nan 0.000 0.428 281 N N 2.019 120.735 118.700 0.027 0.000 2.688 281 N HA -0.191 4.550 4.740 0.001 0.000 0.258 281 N C 0.105 175.660 175.510 0.074 0.000 1.016 281 N CA 0.200 53.279 53.050 0.048 0.000 0.747 281 N CB -1.033 37.486 38.487 0.053 0.000 0.895 281 N HN 0.628 nan 8.380 nan 0.000 0.543 282 L N -0.461 120.813 121.223 0.084 0.000 2.376 282 L HA 0.121 4.462 4.340 0.001 0.000 0.219 282 L C 1.817 178.790 176.870 0.172 0.000 1.133 282 L CA 0.632 55.555 54.840 0.138 0.000 0.816 282 L CB -0.981 41.171 42.059 0.155 0.000 0.933 282 L HN 0.673 nan 8.230 nan 0.000 0.449 283 G N 0.136 109.016 108.800 0.134 0.000 2.750 283 G HA2 -0.343 3.618 3.960 0.001 0.000 0.228 283 G HA3 -0.343 3.618 3.960 0.001 0.000 0.228 283 G C 0.359 175.332 174.900 0.122 0.000 1.367 283 G CA 0.044 45.209 45.100 0.108 0.000 0.871 283 G HN 0.356 nan 8.290 nan 0.000 0.560 284 R N -1.084 119.450 120.500 0.057 0.000 3.875 284 R HA -0.187 4.154 4.340 0.001 0.000 0.321 284 R C 1.715 177.872 176.300 -0.239 0.000 1.196 284 R CA 2.291 58.386 56.100 -0.008 0.000 0.868 284 R CB -1.585 28.797 30.300 0.136 0.000 1.333 284 R HN 2.890 nan 8.270 nan 0.000 0.522 285 G N -2.168 106.525 108.800 -0.179 0.000 2.199 285 G HA2 -0.363 3.597 3.960 0.001 0.000 0.254 285 G HA3 -0.363 3.597 3.960 0.001 0.000 0.254 285 G C -0.236 174.507 174.900 -0.262 0.000 0.982 285 G CA 0.592 45.542 45.100 -0.250 0.000 0.632 285 G HN 0.332 nan 8.290 nan 0.000 0.529 286 Y N 0.629 120.958 120.300 0.049 0.000 2.334 286 Y HA 0.645 5.196 4.550 0.000 0.000 0.328 286 Y C 1.007 176.896 175.900 -0.019 0.000 1.130 286 Y CA -0.723 57.385 58.100 0.013 0.000 1.163 286 Y CB 1.396 39.885 38.460 0.048 0.000 1.207 286 Y HN 0.058 nan 8.280 nan 0.000 0.471 287 D N 0.163 120.612 120.400 0.081 0.000 2.928 287 D HA 0.033 4.673 4.640 0.001 0.000 0.265 287 D C -0.764 175.530 176.300 -0.010 0.000 1.542 287 D CA 0.744 54.764 54.000 0.033 0.000 1.133 287 D CB 0.395 41.203 40.800 0.014 0.000 1.057 287 D HN 0.540 nan 8.370 nan 0.000 0.331 288 D N 1.376 121.748 120.400 -0.047 0.000 2.440 288 D HA 0.366 5.007 4.640 0.001 0.000 0.239 288 D C -0.648 175.547 176.300 -0.175 0.000 1.084 288 D CA -0.151 53.797 54.000 -0.087 0.000 0.843 288 D CB 1.468 42.241 40.800 -0.045 0.000 1.097 288 D HN -0.012 nan 8.370 nan 0.000 0.531 289 E N 1.183 121.192 120.200 -0.319 0.000 2.293 289 E HA 0.231 4.582 4.350 0.001 0.000 0.270 289 E C -0.924 175.475 176.600 -0.336 0.000 0.879 289 E CA -0.782 55.309 56.400 -0.513 0.000 0.756 289 E CB 2.098 30.949 29.700 -1.415 0.000 1.208 289 E HN 0.212 nan 8.360 nan 0.000 0.428 290 D N 2.698 122.999 120.400 -0.165 0.000 2.382 290 D HA 0.096 4.736 4.640 0.001 0.000 0.259 290 D C 1.261 177.611 176.300 0.083 0.000 1.224 290 D CA 0.183 54.168 54.000 -0.024 0.000 0.894 290 D CB 0.838 41.650 40.800 0.021 0.000 1.127 290 D HN 0.393 nan 8.370 nan 0.000 0.487 291 I N 1.574 122.206 120.570 0.103 0.000 2.480 291 I HA -0.061 4.110 4.170 0.001 0.000 0.251 291 I C 0.719 176.900 176.117 0.107 0.000 1.124 291 I CA 0.584 61.999 61.300 0.192 0.000 1.444 291 I CB 0.123 38.206 38.000 0.138 0.000 1.098 291 I HN 0.199 nan 8.210 nan 0.000 0.428 292 L N 0.290 121.548 121.223 0.058 0.000 2.434 292 L HA 0.522 4.863 4.340 0.001 0.000 0.260 292 L C -1.008 175.855 176.870 -0.013 0.000 0.983 292 L CA -0.391 54.471 54.840 0.035 0.000 0.820 292 L CB 1.811 43.880 42.059 0.016 0.000 1.361 292 L HN -0.061 nan 8.230 nan 0.000 0.410 293 K N 3.871 124.266 120.400 -0.008 0.000 2.636 293 K HA 0.429 4.750 4.320 0.001 0.000 0.286 293 K C -2.276 174.300 176.600 -0.040 0.000 1.100 293 K CA -0.525 55.694 56.287 -0.113 0.000 0.991 293 K CB 0.927 33.412 32.500 -0.026 0.000 1.323 293 K HN 0.637 nan 8.250 nan 0.000 0.478 294 Y N -0.486 119.656 120.300 -0.265 0.000 2.609 294 Y HA 0.649 5.199 4.550 0.001 0.000 0.336 294 Y C -1.667 174.102 175.900 -0.218 0.000 1.129 294 Y CA -1.206 56.770 58.100 -0.207 0.000 1.040 294 Y CB 1.029 39.369 38.460 -0.201 0.000 1.310 294 Y HN -0.039 nan 8.280 nan 0.000 0.460 295 V N 1.947 121.917 119.914 0.092 0.000 2.472 295 V HA 0.385 4.506 4.120 0.001 0.000 0.290 295 V C -1.096 175.091 176.094 0.155 0.000 1.037 295 V CA -0.403 61.957 62.300 0.099 0.000 0.908 295 V CB 1.524 33.414 31.823 0.112 0.000 0.985 295 V HN 0.845 nan 8.190 nan 0.000 0.454 296 D N 2.855 123.356 120.400 0.168 0.000 2.408 296 D HA 0.598 5.239 4.640 0.001 0.000 0.243 296 D C -1.102 175.285 176.300 0.146 0.000 1.075 296 D CA -0.158 53.957 54.000 0.192 0.000 0.832 296 D CB 1.778 42.764 40.800 0.310 0.000 1.162 296 D HN 0.297 nan 8.370 nan 0.000 0.515 297 V N 3.085 123.077 119.914 0.130 0.000 2.495 297 V HA 0.975 5.096 4.120 0.001 0.000 0.298 297 V C 0.753 176.976 176.094 0.216 0.000 1.031 297 V CA -0.350 62.043 62.300 0.154 0.000 0.871 297 V CB 1.365 33.265 31.823 0.130 0.000 0.988 297 V HN 0.720 nan 8.190 nan 0.000 0.432 298 G N 2.468 111.381 108.800 0.189 0.000 2.548 298 G HA2 0.885 4.846 3.960 0.001 0.000 0.301 298 G HA3 0.885 4.846 3.960 0.001 0.000 0.301 298 G C -1.583 173.414 174.900 0.161 0.000 1.349 298 G CA -0.065 45.150 45.100 0.191 0.000 0.792 298 G HN 1.309 nan 8.290 nan 0.000 0.481 299 A N -0.611 122.302 122.820 0.155 0.000 2.555 299 A HA 0.782 5.102 4.320 0.001 0.000 0.297 299 A C -0.662 176.998 177.584 0.127 0.000 1.060 299 A CA -0.339 51.783 52.037 0.142 0.000 0.710 299 A CB 1.398 20.491 19.000 0.155 0.000 1.282 299 A HN 1.100 nan 8.150 nan 0.000 0.399 300 T N 1.673 116.261 114.554 0.056 0.000 2.797 300 T HA 0.534 4.884 4.350 0.001 0.000 0.279 300 T C -1.160 173.460 174.700 -0.133 0.000 0.991 300 T CA -0.057 61.999 62.100 -0.073 0.000 0.979 300 T CB 0.918 69.593 68.868 -0.321 0.000 0.943 300 T HN 0.567 nan 8.240 nan 0.000 0.444 301 Y N 3.084 123.207 120.300 -0.295 0.000 2.342 301 Y HA 0.468 5.018 4.550 0.001 0.000 0.338 301 Y C -1.328 174.267 175.900 -0.510 0.000 0.965 301 Y CA -1.386 56.519 58.100 -0.325 0.000 1.159 301 Y CB 0.461 38.729 38.460 -0.320 0.000 1.157 301 Y HN 0.609 nan 8.280 nan 0.000 0.486 302 Y N 7.306 127.162 120.300 -0.741 0.000 2.477 302 Y HA 0.162 4.713 4.550 0.001 0.000 0.349 302 Y C 0.414 175.916 175.900 -0.664 0.000 0.977 302 Y CA -0.376 57.420 58.100 -0.507 0.000 1.214 302 Y CB 0.131 38.411 38.460 -0.300 0.000 1.124 302 Y HN 0.680 nan 8.280 nan 0.000 0.521 303 F N 1.194 121.113 119.950 -0.052 0.000 2.102 303 F HA -0.193 4.334 4.527 0.001 0.000 0.298 303 F C 0.909 176.740 175.800 0.052 0.000 1.105 303 F CA 1.185 59.228 58.000 0.072 0.000 1.239 303 F CB -0.215 38.889 39.000 0.174 0.000 0.991 303 F HN 0.569 nan 8.300 nan 0.000 0.474 304 N N -2.194 116.660 118.700 0.256 0.000 3.449 304 N HA 0.074 4.814 4.740 0.001 0.000 0.312 304 N C 0.164 175.746 175.510 0.121 0.000 1.557 304 N CA -0.706 52.429 53.050 0.141 0.000 0.864 304 N CB 0.398 38.965 38.487 0.133 0.000 1.799 304 N HN -0.153 nan 8.380 nan 0.000 0.554 305 K N -0.531 119.900 120.400 0.052 0.000 2.211 305 K HA 0.047 4.367 4.320 0.001 0.000 0.204 305 K C 0.289 176.908 176.600 0.031 0.000 1.047 305 K CA 1.718 58.016 56.287 0.017 0.000 0.935 305 K CB -0.329 32.162 32.500 -0.014 0.000 0.728 305 K HN 0.533 nan 8.250 nan 0.000 0.452 306 N N -0.977 117.754 118.700 0.051 0.000 2.282 306 N HA 0.089 4.830 4.740 0.001 0.000 0.185 306 N C -0.521 174.993 175.510 0.007 0.000 1.099 306 N CA -0.068 52.966 53.050 -0.026 0.000 0.878 306 N CB 0.552 39.048 38.487 0.015 0.000 0.993 306 N HN 0.012 nan 8.380 nan 0.000 0.481 307 M N 0.385 120.086 119.600 0.168 0.000 2.421 307 M HA 0.382 4.862 4.480 0.001 0.000 0.287 307 M C -1.704 174.847 176.300 0.417 0.000 1.183 307 M CA -0.459 55.011 55.300 0.283 0.000 0.916 307 M CB 1.954 34.727 32.600 0.288 0.000 1.701 307 M HN 0.017 nan 8.290 nan 0.000 0.470 308 S N 1.202 117.138 115.700 0.394 0.000 2.615 308 S HA 0.906 5.376 4.470 0.001 0.000 0.269 308 S C -1.080 173.685 174.600 0.276 0.000 1.161 308 S CA -0.711 57.640 58.200 0.251 0.000 0.817 308 S CB 1.964 65.097 63.200 -0.111 0.000 1.131 308 S HN 0.866 nan 8.310 nan 0.000 0.467 309 T N 0.659 115.293 114.554 0.133 0.000 2.900 309 T HA 0.777 5.127 4.350 0.001 0.000 0.303 309 T C -2.141 172.589 174.700 0.050 0.000 1.142 309 T CA -0.559 61.587 62.100 0.076 0.000 1.007 309 T CB 1.204 70.177 68.868 0.174 0.000 1.156 309 T HN 1.323 nan 8.240 nan 0.000 0.490 310 Y N 0.402 120.706 120.300 0.007 0.000 2.581 310 Y HA 0.811 5.361 4.550 0.001 0.000 0.337 310 Y C -1.701 174.219 175.900 0.034 0.000 1.108 310 Y CA -1.349 56.746 58.100 -0.008 0.000 1.033 310 Y CB 0.796 39.224 38.460 -0.053 0.000 1.318 310 Y HN 0.497 nan 8.280 nan 0.000 0.459 311 V N 2.135 122.211 119.914 0.270 0.000 2.628 311 V HA 0.667 4.788 4.120 0.001 0.000 0.306 311 V C -1.669 174.598 176.094 0.288 0.000 1.045 311 V CA -0.259 62.182 62.300 0.235 0.000 0.905 311 V CB 1.729 33.634 31.823 0.137 0.000 0.997 311 V HN 0.908 nan 8.190 nan 0.000 0.436 312 D N 4.150 124.728 120.400 0.296 0.000 2.788 312 D HA 0.294 4.934 4.640 0.001 0.000 0.247 312 D C -1.964 174.623 176.300 0.478 0.000 1.236 312 D CA -0.187 54.001 54.000 0.314 0.000 0.898 312 D CB 1.625 42.513 40.800 0.146 0.000 1.401 312 D HN 0.453 nan 8.370 nan 0.000 0.549 313 Y N 3.573 124.028 120.300 0.258 0.000 2.464 313 Y HA 0.318 4.869 4.550 0.001 0.000 0.326 313 Y C -0.544 175.396 175.900 0.066 0.000 0.969 313 Y CA -1.173 57.024 58.100 0.162 0.000 1.270 313 Y CB 0.782 39.306 38.460 0.107 0.000 1.103 313 Y HN 0.251 nan 8.280 nan 0.000 0.491 314 K N 8.026 128.435 120.400 0.016 0.000 2.262 314 K HA 0.312 4.632 4.320 0.001 0.000 0.288 314 K C -0.736 175.643 176.600 -0.370 0.000 1.090 314 K CA -0.191 55.835 56.287 -0.435 0.000 0.918 314 K CB -0.127 31.643 32.500 -1.218 0.000 1.139 314 K HN 0.722 nan 8.250 nan 0.000 0.462 315 I N 4.261 124.590 120.570 -0.403 0.000 2.329 315 I HA 0.002 4.172 4.170 0.001 0.000 0.295 315 I C 0.425 176.464 176.117 -0.130 0.000 1.109 315 I CA -0.444 60.632 61.300 -0.373 0.000 1.297 315 I CB 0.211 37.958 38.000 -0.422 0.000 1.433 315 I HN 0.453 nan 8.210 nan 0.000 0.509 316 N N 6.773 125.407 118.700 -0.111 0.000 2.430 316 N HA 0.190 4.931 4.740 0.001 0.000 0.265 316 N C 0.490 176.001 175.510 0.002 0.000 1.100 316 N CA 0.055 53.078 53.050 -0.046 0.000 0.961 316 N CB 1.291 39.725 38.487 -0.089 0.000 1.075 316 N HN 0.575 nan 8.380 nan 0.000 0.478 317 L N 3.049 124.296 121.223 0.039 0.000 2.585 317 L HA 0.216 4.557 4.340 0.001 0.000 0.226 317 L C 0.664 177.559 176.870 0.042 0.000 1.113 317 L CA -0.015 54.851 54.840 0.043 0.000 0.876 317 L CB 0.034 42.133 42.059 0.067 0.000 1.072 317 L HN 0.357 nan 8.230 nan 0.000 0.468 318 L N 0.594 121.840 121.223 0.039 0.000 2.456 318 L HA 0.034 4.374 4.340 0.001 0.000 0.272 318 L C -0.085 176.807 176.870 0.037 0.000 1.189 318 L CA -0.007 54.859 54.840 0.043 0.000 0.846 318 L CB 0.231 42.317 42.059 0.044 0.000 1.111 318 L HN 0.023 nan 8.230 nan 0.000 0.475 319 D N 1.165 121.592 120.400 0.045 0.000 2.256 319 D HA 0.060 4.700 4.640 0.001 0.000 0.250 319 D C -0.358 175.968 176.300 0.043 0.000 1.093 319 D CA -0.295 53.730 54.000 0.041 0.000 0.882 319 D CB 1.252 42.079 40.800 0.045 0.000 1.185 319 D HN 0.369 nan 8.370 nan 0.000 0.437 320 D N 1.647 122.065 120.400 0.031 0.000 2.363 320 D HA 0.043 4.683 4.640 0.001 0.000 0.263 320 D C -0.254 176.071 176.300 0.040 0.000 1.258 320 D CA 0.031 54.046 54.000 0.025 0.000 0.907 320 D CB -0.011 40.798 40.800 0.016 0.000 1.107 320 D HN 0.364 nan 8.370 nan 0.000 0.495 321 N N 1.895 120.627 118.700 0.054 0.000 3.316 321 N HA 0.190 4.931 4.740 0.001 0.000 0.300 321 N C 0.653 176.217 175.510 0.090 0.000 1.567 321 N CA -0.828 52.269 53.050 0.078 0.000 0.821 321 N CB 0.658 39.207 38.487 0.103 0.000 1.748 321 N HN 0.178 nan 8.380 nan 0.000 0.603 322 R N -0.795 119.785 120.500 0.133 0.000 2.083 322 R HA -0.109 4.232 4.340 0.001 0.000 0.237 322 R C 1.699 178.109 176.300 0.183 0.000 1.137 322 R CA 1.525 57.725 56.100 0.167 0.000 0.951 322 R CB -0.586 29.847 30.300 0.221 0.000 0.851 322 R HN 0.571 nan 8.270 nan 0.000 0.434 323 F N 1.611 121.579 119.950 0.030 0.000 2.102 323 F HA -0.219 4.308 4.527 0.000 0.000 0.298 323 F C 2.416 178.077 175.800 -0.233 0.000 1.105 323 F CA 2.323 60.147 58.000 -0.294 0.000 1.239 323 F CB -0.711 38.064 39.000 -0.375 0.000 0.991 323 F HN 0.133 nan 8.300 nan 0.000 0.474 324 T N -1.437 113.002 114.554 -0.193 0.000 2.867 324 T HA -0.123 4.227 4.350 0.001 0.000 0.268 324 T C 2.109 176.661 174.700 -0.248 0.000 1.057 324 T CA 1.219 63.151 62.100 -0.279 0.000 1.136 324 T CB -0.546 68.289 68.868 -0.054 0.000 0.874 324 T HN 0.339 nan 8.240 nan 0.000 0.466 325 R N 0.909 121.324 120.500 -0.142 0.000 2.062 325 R HA -0.023 4.318 4.340 0.001 0.000 0.229 325 R C 2.486 178.708 176.300 -0.129 0.000 1.128 325 R CA 1.473 57.512 56.100 -0.102 0.000 0.960 325 R CB -0.497 29.781 30.300 -0.037 0.000 0.855 325 R HN 0.380 nan 8.270 nan 0.000 0.432 326 D N 0.653 120.974 120.400 -0.132 0.000 2.123 326 D HA -0.120 4.521 4.640 0.001 0.000 0.196 326 D C 1.616 177.787 176.300 -0.214 0.000 0.992 326 D CA 1.580 55.514 54.000 -0.110 0.000 0.833 326 D CB 0.003 40.806 40.800 0.005 0.000 0.954 326 D HN 0.221 nan 8.370 nan 0.000 0.455 327 A N -0.697 121.870 122.820 -0.422 0.000 2.067 327 A HA 0.321 4.642 4.320 0.001 0.000 0.217 327 A C 1.807 179.196 177.584 -0.325 0.000 1.156 327 A CA 1.416 53.176 52.037 -0.461 0.000 0.683 327 A CB -0.480 18.030 19.000 -0.815 0.000 0.808 327 A HN 0.520 nan 8.150 nan 0.000 0.455 328 G N -0.818 107.821 108.800 -0.269 0.000 2.182 328 G HA2 -0.205 3.756 3.960 0.001 0.000 0.248 328 G HA3 -0.205 3.756 3.960 0.001 0.000 0.248 328 G C -0.032 174.752 174.900 -0.194 0.000 1.042 328 G CA 0.229 45.213 45.100 -0.194 0.000 0.775 328 G HN 0.476 nan 8.290 nan 0.000 0.501 329 I N 0.484 120.920 120.570 -0.223 0.000 2.395 329 I HA 0.158 4.328 4.170 0.001 0.000 0.289 329 I C 0.795 176.840 176.117 -0.121 0.000 1.023 329 I CA -0.864 60.329 61.300 -0.178 0.000 1.350 329 I CB 1.001 38.886 38.000 -0.191 0.000 1.409 329 I HN 0.225 nan 8.210 nan 0.000 0.507 330 N N 3.777 122.416 118.700 -0.101 0.000 2.454 330 N HA -0.031 4.710 4.740 0.001 0.000 0.260 330 N C 0.708 176.176 175.510 -0.071 0.000 1.218 330 N CA 0.367 53.368 53.050 -0.083 0.000 0.904 330 N CB 0.705 39.139 38.487 -0.089 0.000 1.065 330 N HN 0.727 nan 8.380 nan 0.000 0.462 331 T N -1.085 113.437 114.554 -0.053 0.000 3.084 331 T HA 0.224 4.575 4.350 0.001 0.000 0.270 331 T C -0.190 174.488 174.700 -0.037 0.000 1.008 331 T CA -0.467 61.611 62.100 -0.036 0.000 0.900 331 T CB -0.052 68.809 68.868 -0.012 0.000 1.084 331 T HN 0.318 nan 8.240 nan 0.000 0.538 332 D N 2.252 122.624 120.400 -0.048 0.000 2.294 332 D HA 0.335 4.976 4.640 0.001 0.000 0.250 332 D C -0.452 175.809 176.300 -0.065 0.000 1.058 332 D CA -0.310 53.670 54.000 -0.033 0.000 0.950 332 D CB 1.309 42.100 40.800 -0.014 0.000 1.158 332 D HN 0.259 nan 8.370 nan 0.000 0.453 333 D N 0.403 120.792 120.400 -0.018 0.000 2.382 333 D HA 0.276 4.916 4.640 0.001 0.000 0.240 333 D C 0.075 176.360 176.300 -0.025 0.000 1.146 333 D CA 0.305 54.304 54.000 -0.002 0.000 0.897 333 D CB 0.859 41.770 40.800 0.185 0.000 1.197 333 D HN 0.203 nan 8.370 nan 0.000 0.432 334 I N 0.579 121.089 120.570 -0.100 0.000 2.569 334 I HA 0.233 4.404 4.170 0.001 0.000 0.290 334 I C -0.717 175.455 176.117 0.092 0.000 1.088 334 I CA -1.049 60.203 61.300 -0.081 0.000 1.047 334 I CB 2.093 39.905 38.000 -0.314 0.000 1.237 334 I HN -0.107 nan 8.210 nan 0.000 0.421 335 V N 4.638 124.664 119.914 0.186 0.000 2.398 335 V HA 0.690 4.811 4.120 0.001 0.000 0.286 335 V C 0.315 176.587 176.094 0.298 0.000 1.026 335 V CA -0.468 61.974 62.300 0.238 0.000 0.868 335 V CB 1.556 33.404 31.823 0.041 0.000 0.982 335 V HN 0.842 nan 8.190 nan 0.000 0.443 336 A N 5.325 128.304 122.820 0.265 0.000 2.304 336 A HA 0.857 5.177 4.320 0.001 0.000 0.323 336 A C -1.090 176.627 177.584 0.220 0.000 1.195 336 A CA -0.480 51.640 52.037 0.139 0.000 0.826 336 A CB 1.069 19.963 19.000 -0.178 0.000 1.184 336 A HN 0.752 nan 8.150 nan 0.000 0.496 337 L N 2.663 124.023 121.223 0.228 0.000 2.349 337 L HA 0.781 5.122 4.340 0.001 0.000 0.278 337 L C 0.166 176.987 176.870 -0.082 0.000 0.996 337 L CA 0.160 55.062 54.840 0.103 0.000 0.825 337 L CB 1.661 43.871 42.059 0.252 0.000 1.243 337 L HN 0.804 nan 8.230 nan 0.000 0.412 338 G N 4.238 112.749 108.800 -0.482 0.000 2.571 338 G HA2 0.609 4.570 3.960 0.001 0.000 0.304 338 G HA3 0.609 4.570 3.960 0.001 0.000 0.304 338 G C -2.296 172.304 174.900 -0.501 0.000 1.314 338 G CA -0.528 44.181 45.100 -0.652 0.000 0.975 338 G HN 0.509 nan 8.290 nan 0.000 0.485 339 L N 1.982 123.069 121.223 -0.226 0.000 2.356 339 L HA 0.766 5.107 4.340 0.001 0.000 0.277 339 L C -0.888 175.972 176.870 -0.017 0.000 0.996 339 L CA -0.808 53.989 54.840 -0.073 0.000 0.822 339 L CB 2.141 44.192 42.059 -0.014 0.000 1.256 339 L HN 0.320 nan 8.230 nan 0.000 0.413 340 V N 5.344 125.298 119.914 0.067 0.000 2.525 340 V HA 0.359 4.480 4.120 0.001 0.000 0.299 340 V C -1.194 174.998 176.094 0.164 0.000 1.034 340 V CA -0.703 61.654 62.300 0.095 0.000 0.863 340 V CB 1.411 33.309 31.823 0.125 0.000 0.999 340 V HN 0.650 nan 8.190 nan 0.000 0.423 341 Y N 5.347 125.678 120.300 0.053 0.000 2.360 341 Y HA 0.718 5.269 4.550 0.001 0.000 0.337 341 Y C 0.002 175.970 175.900 0.113 0.000 1.039 341 Y CA -0.327 57.827 58.100 0.090 0.000 1.109 341 Y CB 1.527 40.034 38.460 0.079 0.000 1.201 341 Y HN 0.760 nan 8.280 nan 0.000 0.458 342 Q N 5.727 125.103 119.800 -0.706 0.000 2.456 342 Q HA 0.635 4.975 4.340 0.001 0.000 0.284 342 Q C -1.900 173.796 176.000 -0.506 0.000 1.061 342 Q CA -0.925 54.593 55.803 -0.476 0.000 0.799 342 Q CB 2.846 31.450 28.738 -0.224 0.000 1.445 342 Q HN 0.657 nan 8.270 nan 0.000 0.411 343 F N 0.000 119.790 119.950 -0.267 0.000 2.286 343 F HA 0.000 4.528 4.527 0.001 0.000 0.279 343 F CA 0.000 57.935 58.000 -0.109 0.000 1.383 343 F CB 0.000 39.006 39.000 0.010 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574