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 3oyc_1_A DATA FIRST_RESID 8 DATA SEQUENCE LDAELDQLLQ GHYIKGYPKQ YTYFLEDGKV KVSRPEGVKI IPPQSDRQKI DATA SEQUENCE VLQAHNLAHT GREATLLKIA NLYWWPNMRK DVVKQLGRCQ QCLITNASNK DATA SEQUENCE ASGPILRPDR PQKPFDKFFI DYIGPLPPSQ GYLYVLVVVD GMTGFTWLYP DATA SEQUENCE TKAPSTSATV KSLNVLTSIA IPKVIHSDQG AAFTSSTFAE WAKERGIHLE DATA SEQUENCE FSTPYHPQSS GKVERKNSDI KRLLTKLLVG RPTKWYDLLP VVQLALNNTY DATA SEQUENCE SPVLKYTPHQ LLFGIDSNTP FANQDTLDLT REEELSLLQE IRTSLYHPST DATA SEQUENCE PPASSRSWSP VVGQLVQERV ARPASLRPRW HKPSTVLKVL NPRTVVILDH DATA SEQUENCE LGNNRTVSID NLKPTSHQ 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.826 176.870 -0.073 0.000 1.165 8 L CA 0.000 54.791 54.840 -0.082 0.000 0.813 8 L CB 0.000 42.010 42.059 -0.082 0.000 0.961 9 D N 0.391 120.753 120.400 -0.063 0.000 2.178 9 D HA 0.114 4.755 4.640 0.001 0.000 0.202 9 D C 2.106 178.372 176.300 -0.056 0.000 0.974 9 D CA 1.692 55.660 54.000 -0.054 0.000 0.841 9 D CB 0.282 41.056 40.800 -0.042 0.000 0.953 9 D HN 0.792 nan 8.370 nan 0.000 0.478 10 A N 1.324 124.111 122.820 -0.055 0.000 1.855 10 A HA -0.189 4.131 4.320 0.001 0.000 0.215 10 A C 2.104 179.643 177.584 -0.075 0.000 1.191 10 A CA 1.216 53.222 52.037 -0.053 0.000 0.613 10 A CB -0.526 18.447 19.000 -0.045 0.000 0.829 10 A HN 0.118 nan 8.150 nan 0.000 0.442 11 E N -0.291 119.854 120.200 -0.091 0.000 2.070 11 E HA -0.213 4.138 4.350 0.001 0.000 0.197 11 E C 1.951 178.421 176.600 -0.217 0.000 1.004 11 E CA 1.526 57.841 56.400 -0.142 0.000 0.805 11 E CB -0.295 29.335 29.700 -0.116 0.000 0.744 11 E HN 0.637 nan 8.360 nan 0.000 0.451 12 L N 0.638 121.755 121.223 -0.176 0.000 2.217 12 L HA -0.142 4.199 4.340 0.001 0.000 0.211 12 L C 2.288 179.077 176.870 -0.135 0.000 1.107 12 L CA 0.563 55.291 54.840 -0.187 0.000 0.783 12 L CB -0.349 41.645 42.059 -0.107 0.000 0.919 12 L HN 0.129 nan 8.230 nan 0.000 0.442 13 D N 0.318 120.664 120.400 -0.091 0.000 2.075 13 D HA -0.196 4.444 4.640 0.001 0.000 0.196 13 D C 2.135 178.405 176.300 -0.050 0.000 0.985 13 D CA 1.273 55.241 54.000 -0.053 0.000 0.834 13 D CB 0.018 40.798 40.800 -0.034 0.000 0.987 13 D HN 0.320 nan 8.370 nan 0.000 0.452 14 Q N -0.095 119.676 119.800 -0.049 0.000 2.308 14 Q HA -0.189 4.151 4.340 0.001 0.000 0.209 14 Q C 2.172 178.150 176.000 -0.037 0.000 0.985 14 Q CA 0.619 56.420 55.803 -0.002 0.000 0.881 14 Q CB -0.026 28.702 28.738 -0.017 0.000 0.917 14 Q HN 0.226 nan 8.270 nan 0.000 0.443 15 L N -0.013 121.117 121.223 -0.155 0.000 2.068 15 L HA -0.100 4.240 4.340 0.001 0.000 0.204 15 L C 1.917 178.708 176.870 -0.131 0.000 1.076 15 L CA 1.294 55.984 54.840 -0.250 0.000 0.753 15 L CB -0.183 41.576 42.059 -0.500 0.000 0.910 15 L HN 0.171 nan 8.230 nan 0.000 0.439 16 L N -0.232 120.946 121.223 -0.076 0.000 2.191 16 L HA -0.194 4.147 4.340 0.001 0.000 0.212 16 L C 2.088 178.962 176.870 0.007 0.000 1.103 16 L CA 1.264 56.106 54.840 0.004 0.000 0.769 16 L CB -0.459 41.609 42.059 0.016 0.000 0.908 16 L HN 0.556 nan 8.230 nan 0.000 0.438 17 Q N -0.308 119.466 119.800 -0.042 0.000 2.282 17 Q HA 0.127 4.467 4.340 0.001 0.000 0.205 17 Q C 1.072 176.959 176.000 -0.189 0.000 0.915 17 Q CA 0.569 56.313 55.803 -0.098 0.000 0.949 17 Q CB 0.265 28.936 28.738 -0.112 0.000 1.035 17 Q HN 0.337 nan 8.270 nan 0.000 0.484 18 G N 1.021 109.768 108.800 -0.088 0.000 2.162 18 G HA2 -0.240 3.720 3.960 0.001 0.000 0.260 18 G HA3 -0.240 3.720 3.960 0.001 0.000 0.260 18 G C -0.237 174.644 174.900 -0.031 0.000 0.976 18 G CA 0.166 45.241 45.100 -0.041 0.000 0.655 18 G HN 0.578 nan 8.290 nan 0.000 0.533 19 H N -0.882 118.211 119.070 0.039 0.000 2.629 19 H HA 0.371 4.928 4.556 0.001 0.000 0.357 19 H C 0.260 175.626 175.328 0.062 0.000 1.121 19 H CA -0.438 55.641 56.048 0.052 0.000 1.406 19 H CB 0.650 30.421 29.762 0.016 0.000 1.456 19 H HN 0.272 nan 8.280 nan 0.000 0.579 20 Y N 2.764 123.156 120.300 0.153 0.000 2.393 20 Y HA 0.260 4.810 4.550 0.001 0.000 0.338 20 Y C -0.804 175.136 175.900 0.068 0.000 1.029 20 Y CA -0.455 57.705 58.100 0.098 0.000 1.239 20 Y CB -0.016 38.506 38.460 0.104 0.000 1.170 20 Y HN 0.380 nan 8.280 nan 0.000 0.515 21 I N 6.581 126.748 120.570 -0.672 0.000 2.441 21 I HA 0.247 4.417 4.170 0.001 0.000 0.295 21 I C -0.306 175.345 176.117 -0.777 0.000 0.994 21 I CA -0.872 60.081 61.300 -0.577 0.000 1.144 21 I CB 1.607 39.422 38.000 -0.308 0.000 1.314 21 I HN 0.517 nan 8.210 nan 0.000 0.445 22 K N 4.416 124.536 120.400 -0.466 0.000 2.447 22 K HA 0.318 4.638 4.320 0.001 0.000 0.281 22 K C 0.966 177.572 176.600 0.010 0.000 1.031 22 K CA 1.188 57.380 56.287 -0.159 0.000 1.019 22 K CB 0.021 32.545 32.500 0.040 0.000 0.918 22 K HN 0.914 nan 8.250 nan 0.000 0.476 23 G N 3.861 112.705 108.800 0.072 0.000 2.376 23 G HA2 -0.247 3.713 3.960 0.001 0.000 0.208 23 G HA3 -0.247 3.713 3.960 0.001 0.000 0.208 23 G C -0.633 174.306 174.900 0.065 0.000 1.032 23 G CA -0.328 44.785 45.100 0.021 0.000 0.641 23 G HN 0.618 nan 8.290 nan 0.000 0.503 24 Y N 3.825 124.213 120.300 0.146 0.000 2.518 24 Y HA 0.488 5.038 4.550 0.001 0.000 0.344 24 Y C -1.751 174.368 175.900 0.366 0.000 0.982 24 Y CA -1.963 56.313 58.100 0.293 0.000 1.234 24 Y CB 1.015 39.481 38.460 0.011 0.000 1.114 24 Y HN 0.052 nan 8.280 nan 0.000 0.515 25 P HA -0.004 nan 4.420 nan 0.000 0.264 25 P C 0.496 178.131 177.300 0.559 0.000 1.183 25 P CA 0.140 63.551 63.100 0.518 0.000 0.763 25 P CB 0.877 32.864 31.700 0.478 0.000 0.807 26 K N 2.734 123.396 120.400 0.436 0.000 2.366 26 K HA -0.131 4.189 4.320 0.001 0.000 0.198 26 K C 1.824 178.555 176.600 0.218 0.000 1.044 26 K CA 1.702 58.219 56.287 0.383 0.000 0.973 26 K CB -1.040 31.630 32.500 0.283 0.000 0.767 26 K HN 0.791 nan 8.250 nan 0.000 0.475 27 Q N -1.599 118.232 119.800 0.052 0.000 2.451 27 Q HA 0.086 4.426 4.340 0.001 0.000 0.206 27 Q C -0.321 175.484 176.000 -0.325 0.000 0.947 27 Q CA -0.050 55.653 55.803 -0.168 0.000 0.937 27 Q CB -0.375 28.190 28.738 -0.289 0.000 1.025 27 Q HN 0.626 nan 8.270 nan 0.000 0.511 28 Y N 1.632 121.882 120.300 -0.083 0.000 2.419 28 Y HA 0.312 4.862 4.550 0.001 0.000 0.328 28 Y C 0.401 176.090 175.900 -0.352 0.000 1.162 28 Y CA -0.923 57.012 58.100 -0.275 0.000 1.174 28 Y CB 1.500 39.668 38.460 -0.488 0.000 1.228 28 Y HN -0.034 nan 8.280 nan 0.000 0.473 29 T N -0.624 113.871 114.554 -0.098 0.000 2.771 29 T HA 0.465 4.815 4.350 0.001 0.000 0.291 29 T C -1.111 173.565 174.700 -0.041 0.000 0.954 29 T CA -0.639 61.451 62.100 -0.016 0.000 1.045 29 T CB -0.217 68.688 68.868 0.061 0.000 0.917 29 T HN 0.366 nan 8.240 nan 0.000 0.484 30 Y N 3.577 124.013 120.300 0.226 0.000 2.341 30 Y HA 0.618 5.168 4.550 0.001 0.000 0.337 30 Y C 0.002 176.046 175.900 0.240 0.000 1.014 30 Y CA -1.407 56.792 58.100 0.166 0.000 1.111 30 Y CB 0.997 39.508 38.460 0.086 0.000 1.194 30 Y HN 0.834 nan 8.280 nan 0.000 0.462 31 F N 0.554 120.602 119.950 0.164 0.000 2.692 31 F HA 0.791 5.319 4.527 0.001 0.000 0.320 31 F C -2.081 173.771 175.800 0.086 0.000 1.123 31 F CA -1.647 56.412 58.000 0.099 0.000 0.961 31 F CB 1.245 40.280 39.000 0.059 0.000 1.383 31 F HN 0.305 nan 8.300 nan 0.000 0.483 32 L N 1.279 122.660 121.223 0.263 0.000 2.325 32 L HA 0.687 5.028 4.340 0.001 0.000 0.278 32 L C -1.029 175.980 176.870 0.231 0.000 1.023 32 L CA -0.186 54.737 54.840 0.138 0.000 0.811 32 L CB 1.715 43.835 42.059 0.103 0.000 1.249 32 L HN 0.909 nan 8.230 nan 0.000 0.431 33 E N 3.116 123.393 120.200 0.129 0.000 2.537 33 E HA 0.116 4.466 4.350 0.001 0.000 0.301 33 E C -1.123 175.525 176.600 0.080 0.000 0.990 33 E CA -0.484 56.007 56.400 0.150 0.000 0.828 33 E CB 0.978 30.838 29.700 0.267 0.000 1.243 33 E HN 0.754 nan 8.360 nan 0.000 0.414 34 D N 2.723 123.165 120.400 0.071 0.000 3.070 34 D HA -0.234 4.406 4.640 0.001 0.000 0.220 34 D C 0.705 177.029 176.300 0.040 0.000 1.176 34 D CA 2.137 56.166 54.000 0.049 0.000 0.924 34 D CB -1.169 39.658 40.800 0.045 0.000 1.124 34 D HN 1.061 nan 8.370 nan 0.000 0.411 35 G N -0.613 108.212 108.800 0.041 0.000 2.131 35 G HA2 -0.320 3.641 3.960 0.001 0.000 0.223 35 G HA3 -0.320 3.641 3.960 0.001 0.000 0.223 35 G C 0.105 175.022 174.900 0.027 0.000 0.990 35 G CA 0.578 45.697 45.100 0.032 0.000 0.671 35 G HN 0.459 nan 8.290 nan 0.000 0.521 36 K N -0.362 120.054 120.400 0.026 0.000 2.422 36 K HA 0.632 4.952 4.320 0.001 0.000 0.251 36 K C 0.116 176.709 176.600 -0.012 0.000 0.933 36 K CA -0.849 55.450 56.287 0.021 0.000 0.798 36 K CB 2.913 35.437 32.500 0.039 0.000 1.238 36 K HN 0.070 nan 8.250 nan 0.000 0.428 37 V N 3.796 123.708 119.914 -0.004 0.000 2.521 37 V HA 0.135 4.255 4.120 0.001 0.000 0.286 37 V C 0.049 176.097 176.094 -0.078 0.000 1.034 37 V CA 0.098 62.379 62.300 -0.033 0.000 1.045 37 V CB 0.273 32.107 31.823 0.018 0.000 0.974 37 V HN 0.636 nan 8.190 nan 0.000 0.480 38 K N 3.411 123.621 120.400 -0.316 0.000 2.346 38 K HA 0.897 5.217 4.320 0.001 0.000 0.238 38 K C -1.287 175.070 176.600 -0.405 0.000 1.039 38 K CA -0.903 55.124 56.287 -0.433 0.000 0.861 38 K CB 2.679 34.718 32.500 -0.768 0.000 1.278 38 K HN 0.387 nan 8.250 nan 0.000 0.460 39 V N -0.271 119.481 119.914 -0.269 0.000 3.048 39 V HA 0.290 4.410 4.120 0.001 0.000 0.303 39 V C -1.607 174.407 176.094 -0.133 0.000 1.214 39 V CA -0.461 61.719 62.300 -0.200 0.000 0.984 39 V CB 2.251 33.939 31.823 -0.226 0.000 1.054 39 V HN 0.760 nan 8.190 nan 0.000 0.430 40 S N 6.210 121.869 115.700 -0.068 0.000 2.466 40 S HA 0.587 5.057 4.470 0.001 0.000 0.313 40 S C -0.157 174.368 174.600 -0.125 0.000 1.078 40 S CA -0.612 57.584 58.200 -0.007 0.000 1.115 40 S CB -0.209 63.057 63.200 0.111 0.000 1.006 40 S HN 0.711 nan 8.310 nan 0.000 0.487 41 R N 3.696 124.054 120.500 -0.236 0.000 2.643 41 R HA 0.344 4.684 4.340 0.001 0.000 0.272 41 R C -1.745 174.479 176.300 -0.126 0.000 0.995 41 R CA -2.178 53.705 56.100 -0.362 0.000 1.032 41 R CB 0.375 30.340 30.300 -0.559 0.000 1.126 41 R HN 0.292 nan 8.270 nan 0.000 0.505 42 P HA -0.242 nan 4.420 nan 0.000 0.217 42 P C 0.231 177.520 177.300 -0.019 0.000 1.158 42 P CA 1.610 64.711 63.100 0.002 0.000 0.887 42 P CB 0.291 32.005 31.700 0.023 0.000 0.792 43 E N -1.371 118.806 120.200 -0.038 0.000 2.274 43 E HA 0.265 4.615 4.350 0.001 0.000 0.194 43 E C 1.313 177.898 176.600 -0.025 0.000 0.996 43 E CA 0.853 57.238 56.400 -0.025 0.000 0.840 43 E CB -0.398 29.289 29.700 -0.022 0.000 0.772 43 E HN 0.312 nan 8.360 nan 0.000 0.491 44 G N -1.157 107.621 108.800 -0.037 0.000 2.350 44 G HA2 0.144 4.104 3.960 0.001 0.000 0.276 44 G HA3 0.144 4.104 3.960 0.001 0.000 0.276 44 G C -1.555 173.326 174.900 -0.031 0.000 1.313 44 G CA -0.646 44.441 45.100 -0.023 0.000 0.903 44 G HN -0.042 nan 8.290 nan 0.000 0.490 45 V N 2.005 121.918 119.914 -0.003 0.000 2.383 45 V HA 0.582 4.702 4.120 0.001 0.000 0.275 45 V C -0.309 175.777 176.094 -0.014 0.000 1.036 45 V CA -0.507 61.798 62.300 0.008 0.000 0.889 45 V CB 1.265 33.136 31.823 0.081 0.000 0.985 45 V HN 0.581 nan 8.190 nan 0.000 0.459 46 K N 4.584 124.974 120.400 -0.016 0.000 2.318 46 K HA 0.615 4.935 4.320 0.001 0.000 0.249 46 K C -0.700 175.945 176.600 0.075 0.000 0.942 46 K CA -0.826 55.481 56.287 0.033 0.000 0.808 46 K CB 2.833 35.408 32.500 0.125 0.000 1.189 46 K HN 0.443 nan 8.250 nan 0.000 0.428 47 I N 2.670 123.299 120.570 0.099 0.000 2.496 47 I HA 0.122 4.293 4.170 0.001 0.000 0.285 47 I C 0.420 176.785 176.117 0.413 0.000 1.080 47 I CA -0.116 61.305 61.300 0.203 0.000 1.404 47 I CB 0.269 38.398 38.000 0.215 0.000 1.403 47 I HN 0.289 nan 8.210 nan 0.000 0.539 48 I N 9.255 130.027 120.570 0.336 0.000 2.287 48 I HA 0.235 4.406 4.170 0.001 0.000 0.290 48 I C -2.000 174.262 176.117 0.242 0.000 1.069 48 I CA -1.820 59.722 61.300 0.402 0.000 1.237 48 I CB 0.216 38.479 38.000 0.439 0.000 1.418 48 I HN 0.308 nan 8.210 nan 0.000 0.481 49 P HA 0.220 nan 4.420 nan 0.000 0.274 49 P C -2.561 174.664 177.300 -0.125 0.000 1.231 49 P CA -1.753 61.317 63.100 -0.050 0.000 0.790 49 P CB -0.085 31.440 31.700 -0.291 0.000 0.951 50 P HA -0.002 nan 4.420 nan 0.000 0.268 50 P C 1.043 178.201 177.300 -0.236 0.000 1.205 50 P CA 0.194 63.213 63.100 -0.135 0.000 0.771 50 P CB 0.656 32.293 31.700 -0.105 0.000 0.858 51 Q N 3.115 122.783 119.800 -0.221 0.000 2.197 51 Q HA -0.245 4.096 4.340 0.001 0.000 0.211 51 Q C 1.759 177.592 176.000 -0.277 0.000 0.993 51 Q CA 2.645 58.274 55.803 -0.290 0.000 0.883 51 Q CB -0.386 28.241 28.738 -0.185 0.000 0.916 51 Q HN 0.585 nan 8.270 nan 0.000 0.418 52 S N -1.046 114.535 115.700 -0.198 0.000 2.547 52 S HA -0.085 4.386 4.470 0.001 0.000 0.235 52 S C 0.868 175.357 174.600 -0.184 0.000 0.980 52 S CA 1.058 59.160 58.200 -0.164 0.000 0.941 52 S CB 0.181 63.312 63.200 -0.116 0.000 0.763 52 S HN 0.348 nan 8.310 nan 0.000 0.532 53 D N 1.076 121.328 120.400 -0.246 0.000 2.392 53 D HA 0.241 4.882 4.640 0.001 0.000 0.206 53 D C 2.039 178.128 176.300 -0.351 0.000 1.046 53 D CA 0.130 53.978 54.000 -0.254 0.000 0.865 53 D CB 0.060 40.715 40.800 -0.243 0.000 0.969 53 D HN 0.363 nan 8.370 nan 0.000 0.509 54 R N 0.463 120.660 120.500 -0.504 0.000 2.075 54 R HA -0.111 4.229 4.340 0.001 0.000 0.232 54 R C 2.176 178.255 176.300 -0.367 0.000 1.126 54 R CA 1.169 56.833 56.100 -0.727 0.000 0.963 54 R CB -0.163 29.433 30.300 -1.174 0.000 0.858 54 R HN 0.207 nan 8.270 nan 0.000 0.435 55 Q N 1.453 121.101 119.800 -0.253 0.000 2.077 55 Q HA -0.238 4.103 4.340 0.001 0.000 0.206 55 Q C 2.016 177.955 176.000 -0.102 0.000 0.989 55 Q CA 1.787 57.507 55.803 -0.138 0.000 0.853 55 Q CB -0.031 28.637 28.738 -0.115 0.000 0.907 55 Q HN 0.147 nan 8.270 nan 0.000 0.418 56 K N 0.009 120.337 120.400 -0.120 0.000 2.152 56 K HA -0.144 4.177 4.320 0.001 0.000 0.206 56 K C 2.006 178.569 176.600 -0.062 0.000 1.048 56 K CA 1.417 57.655 56.287 -0.082 0.000 0.933 56 K CB -0.094 32.353 32.500 -0.087 0.000 0.721 56 K HN 0.355 nan 8.250 nan 0.000 0.447 57 I N 0.190 120.701 120.570 -0.098 0.000 2.233 57 I HA -0.250 3.920 4.170 0.001 0.000 0.243 57 I C 2.143 178.291 176.117 0.051 0.000 1.093 57 I CA 0.715 61.986 61.300 -0.049 0.000 1.380 57 I CB -0.107 37.783 38.000 -0.185 0.000 1.067 57 I HN -0.076 nan 8.210 nan 0.000 0.413 58 V N 0.858 120.819 119.914 0.079 0.000 2.332 58 V HA -0.295 3.825 4.120 0.001 0.000 0.248 58 V C 2.403 178.533 176.094 0.059 0.000 1.055 58 V CA 1.773 64.132 62.300 0.098 0.000 1.038 58 V CB -0.593 31.286 31.823 0.094 0.000 0.651 58 V HN 0.369 nan 8.190 nan 0.000 0.450 59 L N -0.329 120.909 121.223 0.026 0.000 2.056 59 L HA -0.198 4.142 4.340 0.001 0.000 0.207 59 L C 2.524 179.411 176.870 0.028 0.000 1.078 59 L CA 1.933 56.789 54.840 0.026 0.000 0.749 59 L CB -0.521 41.538 42.059 -0.001 0.000 0.901 59 L HN 0.307 nan 8.230 nan 0.000 0.433 60 Q N -0.872 118.939 119.800 0.019 0.000 2.084 60 Q HA -0.190 4.150 4.340 0.001 0.000 0.202 60 Q C 2.273 178.278 176.000 0.009 0.000 0.978 60 Q CA 1.698 57.508 55.803 0.011 0.000 0.844 60 Q CB -0.363 28.391 28.738 0.026 0.000 0.898 60 Q HN 0.702 nan 8.270 nan 0.000 0.426 61 A N 0.380 123.225 122.820 0.042 0.000 1.858 61 A HA -0.273 4.047 4.320 0.001 0.000 0.216 61 A C 1.806 179.387 177.584 -0.005 0.000 1.190 61 A CA 1.983 54.041 52.037 0.036 0.000 0.617 61 A CB -0.959 18.083 19.000 0.070 0.000 0.827 61 A HN 0.506 nan 8.150 nan 0.000 0.443 62 H N 0.361 119.388 119.070 -0.071 0.000 2.352 62 H HA -0.102 4.454 4.556 0.000 0.000 0.299 62 H C 1.663 176.844 175.328 -0.246 0.000 1.097 62 H CA 2.089 58.064 56.048 -0.121 0.000 1.311 62 H CB -0.117 29.580 29.762 -0.108 0.000 1.377 62 H HN 0.409 nan 8.280 nan 0.000 0.504 63 N N 0.135 118.640 118.700 -0.323 0.000 2.512 63 N HA -0.068 4.672 4.740 0.001 0.000 0.183 63 N C 1.845 177.139 175.510 -0.360 0.000 1.073 63 N CA 0.668 53.408 53.050 -0.517 0.000 0.911 63 N CB -0.139 38.201 38.487 -0.245 0.000 0.964 63 N HN 0.415 nan 8.380 nan 0.000 0.447 64 L N -0.137 120.954 121.223 -0.220 0.000 1.971 64 L HA -0.149 4.192 4.340 0.001 0.000 0.215 64 L C 1.586 178.388 176.870 -0.112 0.000 1.072 64 L CA 1.707 56.474 54.840 -0.121 0.000 0.758 64 L CB -0.274 41.740 42.059 -0.075 0.000 0.889 64 L HN 0.138 nan 8.230 nan 0.000 0.433 65 A N -3.688 119.042 122.820 -0.150 0.000 2.603 65 A HA 0.171 4.491 4.320 0.001 0.000 0.277 65 A C 0.077 177.614 177.584 -0.079 0.000 1.158 65 A CA -0.380 51.612 52.037 -0.076 0.000 0.962 65 A CB -0.143 18.832 19.000 -0.042 0.000 1.189 65 A HN 0.475 nan 8.150 nan 0.000 0.552 66 H N 1.430 120.286 119.070 -0.357 0.000 2.748 66 H HA -0.141 4.416 4.556 0.001 0.000 0.322 66 H C 0.283 175.394 175.328 -0.362 0.000 1.208 66 H CA 1.235 56.925 56.048 -0.598 0.000 1.151 66 H CB -1.999 27.626 29.762 -0.228 0.000 1.505 66 H HN 0.730 nan 8.280 nan 0.000 0.429 67 T N -2.205 112.184 114.554 -0.275 0.000 2.882 67 T HA 0.541 4.891 4.350 0.001 0.000 0.287 67 T C 1.354 176.154 174.700 0.166 0.000 1.014 67 T CA -0.252 61.843 62.100 -0.008 0.000 1.049 67 T CB 2.480 71.336 68.868 -0.020 0.000 1.001 67 T HN 0.382 nan 8.240 nan 0.000 0.525 68 G N 0.187 109.062 108.800 0.125 0.000 2.485 68 G HA2 0.228 4.188 3.960 0.001 0.000 0.260 68 G HA3 0.228 4.188 3.960 0.001 0.000 0.260 68 G C 0.865 175.808 174.900 0.071 0.000 1.459 68 G CA -0.616 44.556 45.100 0.121 0.000 1.060 68 G HN 0.815 nan 8.290 nan 0.000 0.546 69 R N -0.520 120.004 120.500 0.041 0.000 2.096 69 R HA -0.093 4.248 4.340 0.001 0.000 0.229 69 R C 2.395 178.692 176.300 -0.004 0.000 1.134 69 R CA 1.853 57.952 56.100 -0.001 0.000 0.917 69 R CB -0.463 29.840 30.300 0.005 0.000 0.832 69 R HN 0.531 nan 8.270 nan 0.000 0.430 70 E N 0.255 120.456 120.200 0.003 0.000 2.072 70 E HA -0.135 4.215 4.350 0.001 0.000 0.191 70 E C 1.876 178.474 176.600 -0.004 0.000 0.985 70 E CA 1.258 57.654 56.400 -0.006 0.000 0.801 70 E CB -0.363 29.336 29.700 -0.001 0.000 0.750 70 E HN 0.467 nan 8.360 nan 0.000 0.452 71 A N 0.863 123.688 122.820 0.008 0.000 1.972 71 A HA -0.141 4.180 4.320 0.001 0.000 0.219 71 A C 2.384 179.971 177.584 0.005 0.000 1.169 71 A CA 1.952 53.993 52.037 0.006 0.000 0.635 71 A CB -0.682 18.325 19.000 0.011 0.000 0.810 71 A HN 0.239 nan 8.150 nan 0.000 0.446 72 T N -0.137 114.427 114.554 0.016 0.000 2.809 72 T HA -0.059 4.291 4.350 0.001 0.000 0.260 72 T C 1.867 176.563 174.700 -0.007 0.000 1.039 72 T CA 1.214 63.327 62.100 0.022 0.000 1.141 72 T CB -0.404 68.504 68.868 0.067 0.000 0.869 72 T HN 0.345 nan 8.240 nan 0.000 0.437 73 L N 1.087 122.291 121.223 -0.032 0.000 2.013 73 L HA -0.090 4.251 4.340 0.001 0.000 0.212 73 L C 2.195 179.032 176.870 -0.055 0.000 1.073 73 L CA 1.656 56.453 54.840 -0.071 0.000 0.753 73 L CB -0.558 41.449 42.059 -0.087 0.000 0.890 73 L HN 0.216 nan 8.230 nan 0.000 0.432 74 L N -0.636 120.568 121.223 -0.032 0.000 2.127 74 L HA -0.222 4.118 4.340 0.001 0.000 0.211 74 L C 2.639 179.500 176.870 -0.015 0.000 1.089 74 L CA 1.036 55.862 54.840 -0.023 0.000 0.757 74 L CB -0.655 41.395 42.059 -0.015 0.000 0.899 74 L HN 0.245 nan 8.230 nan 0.000 0.434 75 K N 0.179 120.576 120.400 -0.006 0.000 2.025 75 K HA -0.061 4.260 4.320 0.001 0.000 0.207 75 K C 2.064 178.682 176.600 0.029 0.000 1.049 75 K CA 1.374 57.666 56.287 0.009 0.000 0.933 75 K CB -0.295 32.215 32.500 0.016 0.000 0.714 75 K HN 0.306 nan 8.250 nan 0.000 0.438 76 I N 1.171 121.762 120.570 0.035 0.000 2.142 76 I HA -0.247 3.923 4.170 0.001 0.000 0.240 76 I C 2.355 178.501 176.117 0.050 0.000 1.078 76 I CA 1.255 62.610 61.300 0.092 0.000 1.343 76 I CB -0.528 37.472 38.000 -0.000 0.000 1.046 76 I HN 0.025 nan 8.210 nan 0.000 0.405 77 A N 0.841 123.641 122.820 -0.034 0.000 2.186 77 A HA -0.210 4.110 4.320 0.001 0.000 0.219 77 A C 1.930 179.504 177.584 -0.017 0.000 1.159 77 A CA 1.641 53.661 52.037 -0.029 0.000 0.680 77 A CB -0.732 18.245 19.000 -0.039 0.000 0.787 77 A HN 0.442 nan 8.150 nan 0.000 0.467 78 N N -0.317 118.367 118.700 -0.027 0.000 2.188 78 N HA -0.039 4.702 4.740 0.001 0.000 0.184 78 N C 1.452 176.899 175.510 -0.106 0.000 1.018 78 N CA 1.355 54.375 53.050 -0.049 0.000 0.858 78 N CB -0.161 38.302 38.487 -0.039 0.000 0.989 78 N HN 0.559 nan 8.380 nan 0.000 0.426 79 L N -2.045 119.060 121.223 -0.197 0.000 2.547 79 L HA 0.196 4.536 4.340 0.001 0.000 0.218 79 L C -0.225 176.357 176.870 -0.482 0.000 1.048 79 L CA 0.182 54.745 54.840 -0.463 0.000 0.859 79 L CB 0.158 41.699 42.059 -0.863 0.000 1.128 79 L HN -0.018 nan 8.230 nan 0.000 0.483 80 Y N -1.853 118.498 120.300 0.085 0.000 2.587 80 Y HA 0.416 4.966 4.550 0.001 0.000 0.337 80 Y C -0.816 175.166 175.900 0.137 0.000 1.065 80 Y CA -1.143 57.050 58.100 0.155 0.000 1.126 80 Y CB 1.432 40.053 38.460 0.268 0.000 1.279 80 Y HN -0.093 nan 8.280 nan 0.000 0.489 81 W N 2.774 124.211 121.300 0.227 0.000 3.129 81 W HA 0.575 5.235 4.660 0.001 0.000 0.333 81 W C -2.196 174.463 176.519 0.234 0.000 1.141 81 W CA -1.183 56.189 57.345 0.044 0.000 1.224 81 W CB 1.305 30.760 29.460 -0.008 0.000 1.393 81 W HN 0.643 nan 8.180 nan 0.000 0.499 82 W N 4.231 124.873 121.300 -1.095 0.000 2.961 82 W HA 0.817 5.477 4.660 0.000 0.000 0.368 82 W C -3.092 172.368 176.519 -1.765 0.000 1.213 82 W CA -2.535 54.094 57.345 -1.193 0.000 1.173 82 W CB 0.077 29.263 29.460 -0.457 0.000 1.487 82 W HN 0.129 nan 8.180 nan 0.000 0.585 83 P HA 0.183 nan 4.420 nan 0.000 0.280 83 P C -0.693 176.401 177.300 -0.344 0.000 1.244 83 P CA 0.153 62.865 63.100 -0.646 0.000 0.784 83 P CB 0.580 32.006 31.700 -0.456 0.000 0.913 84 N N 2.011 120.514 118.700 -0.329 0.000 2.708 84 N HA -0.178 4.562 4.740 0.001 0.000 0.255 84 N C 0.713 176.078 175.510 -0.241 0.000 1.046 84 N CA 0.585 53.513 53.050 -0.204 0.000 0.715 84 N CB -1.266 37.166 38.487 -0.092 0.000 0.895 84 N HN 0.545 nan 8.380 nan 0.000 0.545 85 M N 0.204 119.501 119.600 -0.505 0.000 2.080 85 M HA -0.154 4.327 4.480 0.001 0.000 0.260 85 M C 2.125 178.258 176.300 -0.279 0.000 1.068 85 M CA 1.840 56.749 55.300 -0.652 0.000 1.109 85 M CB -0.168 31.849 32.600 -0.972 0.000 1.342 85 M HN 0.250 nan 8.290 nan 0.000 0.405 86 R N 0.095 120.463 120.500 -0.221 0.000 2.159 86 R HA -0.133 4.208 4.340 0.001 0.000 0.237 86 R C 2.237 178.484 176.300 -0.088 0.000 1.131 86 R CA 1.043 57.063 56.100 -0.133 0.000 0.982 86 R CB -0.332 29.906 30.300 -0.104 0.000 0.868 86 R HN 0.358 nan 8.270 nan 0.000 0.453 87 K N 0.835 121.192 120.400 -0.072 0.000 2.097 87 K HA -0.159 4.162 4.320 0.001 0.000 0.206 87 K C 0.967 177.551 176.600 -0.027 0.000 1.049 87 K CA 1.617 57.879 56.287 -0.041 0.000 0.933 87 K CB 0.113 32.595 32.500 -0.030 0.000 0.717 87 K HN 0.134 nan 8.250 nan 0.000 0.442 88 D N 0.277 120.687 120.400 0.017 0.000 2.234 88 D HA -0.092 4.548 4.640 0.001 0.000 0.205 88 D C 1.950 178.248 176.300 -0.003 0.000 0.962 88 D CA 0.612 54.639 54.000 0.046 0.000 0.855 88 D CB 0.160 41.077 40.800 0.195 0.000 0.951 88 D HN 0.043 nan 8.370 nan 0.000 0.500 89 V N 0.981 120.874 119.914 -0.034 0.000 2.270 89 V HA -0.190 3.930 4.120 0.001 0.000 0.245 89 V C 2.721 178.718 176.094 -0.163 0.000 1.043 89 V CA 0.993 63.245 62.300 -0.081 0.000 1.014 89 V CB -0.469 31.302 31.823 -0.088 0.000 0.645 89 V HN 0.038 nan 8.190 nan 0.000 0.447 90 V N -0.084 119.731 119.914 -0.166 0.000 2.343 90 V HA -0.301 3.819 4.120 0.001 0.000 0.247 90 V C 2.466 178.418 176.094 -0.238 0.000 1.051 90 V CA 2.257 64.404 62.300 -0.255 0.000 1.036 90 V CB -0.707 31.033 31.823 -0.138 0.000 0.654 90 V HN 0.544 nan 8.190 nan 0.000 0.451 91 K N -0.515 119.804 120.400 -0.134 0.000 2.074 91 K HA -0.268 4.052 4.320 0.001 0.000 0.209 91 K C 2.284 178.804 176.600 -0.134 0.000 1.048 91 K CA 1.752 57.977 56.287 -0.102 0.000 0.926 91 K CB -0.078 32.382 32.500 -0.067 0.000 0.713 91 K HN 0.412 nan 8.250 nan 0.000 0.444 92 Q N 0.357 120.058 119.800 -0.166 0.000 2.123 92 Q HA -0.062 4.279 4.340 0.001 0.000 0.199 92 Q C 2.275 178.095 176.000 -0.301 0.000 0.966 92 Q CA 0.875 56.559 55.803 -0.199 0.000 0.845 92 Q CB -0.093 28.531 28.738 -0.190 0.000 0.907 92 Q HN 0.397 nan 8.270 nan 0.000 0.439 93 L N -0.337 120.641 121.223 -0.407 0.000 2.042 93 L HA -0.139 4.202 4.340 0.001 0.000 0.210 93 L C 2.211 178.940 176.870 -0.235 0.000 1.076 93 L CA 1.383 55.932 54.840 -0.486 0.000 0.749 93 L CB -0.858 40.702 42.059 -0.832 0.000 0.893 93 L HN 0.261 nan 8.230 nan 0.000 0.432 94 G N -0.606 108.088 108.800 -0.176 0.000 2.679 94 G HA2 -0.135 3.825 3.960 0.001 0.000 0.212 94 G HA3 -0.135 3.825 3.960 0.001 0.000 0.212 94 G C 1.607 176.496 174.900 -0.018 0.000 1.137 94 G CA 0.021 45.137 45.100 0.027 0.000 0.787 94 G HN 0.327 nan 8.290 nan 0.000 0.534 95 R N -1.010 119.451 120.500 -0.064 0.000 2.437 95 R HA 0.148 4.488 4.340 0.001 0.000 0.257 95 R C 0.008 176.288 176.300 -0.034 0.000 0.927 95 R CA -0.306 55.767 56.100 -0.046 0.000 1.078 95 R CB 0.245 30.514 30.300 -0.052 0.000 1.161 95 R HN 0.225 nan 8.270 nan 0.000 0.529 96 C N 2.345 121.619 119.300 -0.043 0.000 2.218 96 C HA 0.137 4.598 4.460 0.001 0.000 0.353 96 C C 1.817 176.834 174.990 0.045 0.000 1.070 96 C CA -0.517 58.515 59.018 0.023 0.000 1.497 96 C CB -0.096 27.672 27.740 0.047 0.000 1.951 96 C HN 0.448 nan 8.230 nan 0.000 0.493 97 Q N 2.434 122.253 119.800 0.031 0.000 2.096 97 Q HA -0.249 4.091 4.340 0.001 0.000 0.208 97 Q C 2.042 178.050 176.000 0.014 0.000 0.993 97 Q CA 2.377 58.188 55.803 0.014 0.000 0.862 97 Q CB -0.045 28.698 28.738 0.007 0.000 0.915 97 Q HN 0.909 nan 8.270 nan 0.000 0.416 98 Q N -1.598 118.209 119.800 0.011 0.000 2.084 98 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 98 Q C 2.359 178.340 176.000 -0.031 0.000 0.978 98 Q CA 1.683 57.454 55.803 -0.052 0.000 0.844 98 Q CB -0.313 28.309 28.738 -0.193 0.000 0.898 98 Q HN 0.433 nan 8.270 nan 0.000 0.426 99 C N 0.090 119.421 119.300 0.052 0.000 2.429 99 C HA -0.084 4.377 4.460 0.001 0.000 0.277 99 C C 2.443 177.463 174.990 0.050 0.000 1.262 99 C CA 0.501 59.577 59.018 0.097 0.000 1.733 99 C CB -0.933 26.940 27.740 0.222 0.000 2.010 99 C HN 0.499 nan 8.230 nan 0.000 0.483 100 L N 1.130 122.371 121.223 0.029 0.000 2.083 100 L HA -0.119 4.221 4.340 0.001 0.000 0.209 100 L C 2.345 179.199 176.870 -0.027 0.000 1.083 100 L CA 1.685 56.513 54.840 -0.020 0.000 0.752 100 L CB -0.522 41.523 42.059 -0.025 0.000 0.899 100 L HN 0.510 nan 8.230 nan 0.000 0.433 101 I N -5.184 115.406 120.570 0.033 0.000 3.427 101 I HA 0.008 4.178 4.170 0.001 0.000 0.288 101 I C 1.815 178.047 176.117 0.191 0.000 1.249 101 I CA 0.549 61.916 61.300 0.112 0.000 1.421 101 I CB -0.126 37.921 38.000 0.078 0.000 1.086 101 I HN -0.040 nan 8.210 nan 0.000 0.448 102 T N 0.584 115.207 114.554 0.115 0.000 3.021 102 T HA 0.163 4.513 4.350 0.001 0.000 0.245 102 T C 0.842 175.639 174.700 0.163 0.000 1.028 102 T CA 0.003 62.175 62.100 0.119 0.000 1.139 102 T CB -0.273 68.613 68.868 0.031 0.000 0.884 102 T HN 0.240 nan 8.240 nan 0.000 0.457 103 N N 1.866 120.627 118.700 0.102 0.000 2.381 103 N HA 0.409 5.150 4.740 0.001 0.000 0.241 103 N C -0.096 175.485 175.510 0.119 0.000 1.279 103 N CA -0.017 53.081 53.050 0.079 0.000 0.896 103 N CB 0.288 38.789 38.487 0.025 0.000 1.118 103 N HN 0.391 nan 8.380 nan 0.000 0.438 104 A N 0.188 123.076 122.820 0.115 0.000 2.271 104 A HA 0.427 4.747 4.320 0.001 0.000 0.288 104 A C 0.475 178.044 177.584 -0.025 0.000 1.094 104 A CA -0.464 51.671 52.037 0.163 0.000 0.828 104 A CB 0.394 19.486 19.000 0.154 0.000 1.091 104 A HN 0.540 nan 8.150 nan 0.000 0.493 105 S N -0.288 115.380 115.700 -0.052 0.000 2.610 105 S HA 0.322 4.792 4.470 0.001 0.000 0.273 105 S C 0.348 174.914 174.600 -0.057 0.000 1.274 105 S CA -0.220 57.879 58.200 -0.168 0.000 1.023 105 S CB 0.145 63.209 63.200 -0.226 0.000 0.962 105 S HN 0.813 nan 8.310 nan 0.000 0.523 106 N N 1.923 120.573 118.700 -0.083 0.000 2.338 106 N HA 0.284 5.025 4.740 0.001 0.000 0.251 106 N C -1.343 174.160 175.510 -0.013 0.000 1.199 106 N CA -0.500 52.535 53.050 -0.026 0.000 0.879 106 N CB 0.061 38.534 38.487 -0.023 0.000 1.159 106 N HN 0.313 nan 8.380 nan 0.000 0.514 107 K N 0.310 120.699 120.400 -0.018 0.000 2.426 107 K HA 0.717 5.037 4.320 0.001 0.000 0.254 107 K C -0.766 175.959 176.600 0.209 0.000 0.936 107 K CA -0.595 55.730 56.287 0.064 0.000 0.801 107 K CB 2.305 34.802 32.500 -0.004 0.000 1.139 107 K HN 0.246 nan 8.250 nan 0.000 0.424 108 A N 1.818 124.775 122.820 0.228 0.000 2.340 108 A HA 0.376 4.696 4.320 0.001 0.000 0.268 108 A C -0.137 177.617 177.584 0.282 0.000 1.100 108 A CA -0.331 51.843 52.037 0.228 0.000 0.803 108 A CB 0.372 19.451 19.000 0.131 0.000 1.043 108 A HN 0.689 nan 8.150 nan 0.000 0.488 109 S N 0.510 116.323 115.700 0.188 0.000 2.558 109 S HA 0.293 4.764 4.470 0.001 0.000 0.287 109 S C 1.117 175.649 174.600 -0.114 0.000 1.321 109 S CA 0.327 58.493 58.200 -0.058 0.000 1.048 109 S CB 0.312 63.517 63.200 0.009 0.000 0.844 109 S HN 1.172 nan 8.310 nan 0.000 0.512 110 G N 2.909 111.552 108.800 -0.262 0.000 2.690 110 G HA2 0.292 4.252 3.960 0.001 0.000 0.239 110 G HA3 0.292 4.252 3.960 0.001 0.000 0.239 110 G C -2.525 172.327 174.900 -0.082 0.000 1.233 110 G CA -1.009 43.996 45.100 -0.159 0.000 0.847 110 G HN 0.466 nan 8.290 nan 0.000 0.588 111 P HA 0.112 nan 4.420 nan 0.000 0.268 111 P C 0.657 177.947 177.300 -0.017 0.000 1.205 111 P CA -0.066 63.022 63.100 -0.020 0.000 0.771 111 P CB 0.570 32.262 31.700 -0.013 0.000 0.858 112 I N 0.090 120.661 120.570 0.001 0.000 2.892 112 I HA 0.086 4.257 4.170 0.001 0.000 0.287 112 I C 0.131 176.254 176.117 0.009 0.000 1.205 112 I CA -0.262 61.047 61.300 0.014 0.000 1.409 112 I CB -0.277 37.738 38.000 0.024 0.000 1.367 112 I HN 0.130 nan 8.210 nan 0.000 0.597 113 L N 4.802 126.038 121.223 0.021 0.000 2.350 113 L HA 0.385 4.725 4.340 0.001 0.000 0.275 113 L C 0.235 177.121 176.870 0.026 0.000 1.099 113 L CA -0.587 54.268 54.840 0.025 0.000 0.808 113 L CB 0.514 42.594 42.059 0.036 0.000 1.149 113 L HN 0.592 nan 8.230 nan 0.000 0.442 114 R N 2.767 123.287 120.500 0.033 0.000 2.471 114 R HA 0.349 4.690 4.340 0.001 0.000 0.292 114 R C -2.422 173.973 176.300 0.157 0.000 1.192 114 R CA -2.220 53.897 56.100 0.029 0.000 1.257 114 R CB 0.078 30.320 30.300 -0.096 0.000 1.130 114 R HN 0.296 nan 8.270 nan 0.000 0.558 115 P HA -0.073 nan 4.420 nan 0.000 0.267 115 P C -0.167 177.240 177.300 0.178 0.000 1.201 115 P CA 0.227 63.402 63.100 0.125 0.000 0.775 115 P CB 0.616 32.379 31.700 0.105 0.000 0.854 116 D N 1.475 121.879 120.400 0.008 0.000 2.443 116 D HA -0.002 4.638 4.640 0.001 0.000 0.239 116 D C 0.724 177.014 176.300 -0.016 0.000 1.136 116 D CA 0.280 54.172 54.000 -0.181 0.000 0.879 116 D CB 0.390 41.079 40.800 -0.185 0.000 1.195 116 D HN 0.242 nan 8.370 nan 0.000 0.443 117 R N 2.397 122.882 120.500 -0.026 0.000 2.522 117 R HA 0.075 4.415 4.340 0.001 0.000 0.284 117 R C -2.120 174.198 176.300 0.031 0.000 1.032 117 R CA -0.989 55.143 56.100 0.054 0.000 1.049 117 R CB 0.126 30.466 30.300 0.066 0.000 0.956 117 R HN 0.138 nan 8.270 nan 0.000 0.422 118 P HA -0.116 nan 4.420 nan 0.000 0.264 118 P C -0.182 177.131 177.300 0.023 0.000 1.173 118 P CA 0.390 63.527 63.100 0.061 0.000 0.761 118 P CB 0.536 32.298 31.700 0.104 0.000 0.794 119 Q N 1.069 120.873 119.800 0.005 0.000 2.172 119 Q HA -0.078 4.262 4.340 0.001 0.000 0.200 119 Q C 0.110 176.104 176.000 -0.010 0.000 0.964 119 Q CA 1.384 57.181 55.803 -0.009 0.000 0.855 119 Q CB 0.099 28.828 28.738 -0.016 0.000 0.918 119 Q HN 0.470 nan 8.270 nan 0.000 0.444 120 K N 0.082 120.482 120.400 -0.000 0.000 2.435 120 K HA 0.381 4.701 4.320 0.001 0.000 0.251 120 K C -2.732 173.861 176.600 -0.012 0.000 0.954 120 K CA -2.310 53.975 56.287 -0.004 0.000 0.820 120 K CB 1.964 34.474 32.500 0.016 0.000 1.292 120 K HN -0.235 nan 8.250 nan 0.000 0.436 121 P HA 0.028 nan 4.420 nan 0.000 0.266 121 P C -0.522 176.727 177.300 -0.084 0.000 1.195 121 P CA 0.347 63.316 63.100 -0.218 0.000 0.768 121 P CB 0.063 31.528 31.700 -0.391 0.000 0.838 122 F N -1.064 118.953 119.950 0.110 0.000 2.656 122 F HA -0.272 4.255 4.527 0.000 0.000 0.381 122 F C 1.353 177.062 175.800 -0.151 0.000 0.603 122 F CA 0.776 58.753 58.000 -0.039 0.000 1.335 122 F CB -1.923 37.033 39.000 -0.072 0.000 1.836 122 F HN 0.263 nan 8.300 nan 0.000 0.290 123 D N 0.720 121.155 120.400 0.059 0.000 2.117 123 D HA -0.058 4.582 4.640 0.001 0.000 0.197 123 D C 0.996 177.271 176.300 -0.042 0.000 0.987 123 D CA 1.723 55.724 54.000 0.002 0.000 0.829 123 D CB 0.066 40.876 40.800 0.017 0.000 0.961 123 D HN 0.366 nan 8.370 nan 0.000 0.460 124 K N -0.430 119.973 120.400 0.006 0.000 2.553 124 K HA 0.210 4.530 4.320 0.001 0.000 0.250 124 K C -1.521 175.194 176.600 0.191 0.000 0.953 124 K CA -0.553 55.717 56.287 -0.028 0.000 0.800 124 K CB 1.313 33.778 32.500 -0.058 0.000 1.243 124 K HN -0.298 nan 8.250 nan 0.000 0.435 125 F N 3.098 122.990 119.950 -0.096 0.000 2.425 125 F HA 0.495 5.022 4.527 0.000 0.000 0.331 125 F C -0.151 175.501 175.800 -0.247 0.000 1.085 125 F CA -1.050 56.936 58.000 -0.024 0.000 1.028 125 F CB 0.813 39.827 39.000 0.024 0.000 1.177 125 F HN 0.328 nan 8.300 nan 0.000 0.487 126 F N 3.859 123.935 119.950 0.210 0.000 2.426 126 F HA 0.561 5.088 4.527 0.000 0.000 0.348 126 F C 0.259 176.068 175.800 0.015 0.000 1.124 126 F CA -0.815 57.240 58.000 0.092 0.000 1.008 126 F CB 1.299 40.314 39.000 0.025 0.000 1.139 126 F HN 0.254 nan 8.300 nan 0.000 0.452 127 I N -0.419 120.180 120.570 0.048 0.000 2.846 127 I HA 0.913 5.084 4.170 0.001 0.000 0.307 127 I C -1.539 174.481 176.117 -0.161 0.000 1.053 127 I CA -0.675 60.560 61.300 -0.108 0.000 1.050 127 I CB 2.487 40.337 38.000 -0.250 0.000 1.239 127 I HN 0.463 nan 8.210 nan 0.000 0.439 128 D N 1.418 121.766 120.400 -0.086 0.000 2.783 128 D HA 0.387 5.028 4.640 0.001 0.000 0.253 128 D C -2.075 174.254 176.300 0.049 0.000 1.206 128 D CA -0.314 53.754 54.000 0.113 0.000 0.740 128 D CB 1.412 42.286 40.800 0.122 0.000 1.313 128 D HN 0.558 nan 8.370 nan 0.000 0.427 129 Y N 0.621 121.074 120.300 0.255 0.000 2.420 129 Y HA 0.653 5.203 4.550 0.001 0.000 0.334 129 Y C 0.150 176.146 175.900 0.161 0.000 1.094 129 Y CA -0.638 57.582 58.100 0.200 0.000 1.126 129 Y CB 1.563 40.117 38.460 0.157 0.000 1.217 129 Y HN 0.233 nan 8.280 nan 0.000 0.462 130 I N 2.131 122.896 120.570 0.325 0.000 2.404 130 I HA 0.717 4.888 4.170 0.001 0.000 0.293 130 I C 0.189 176.392 176.117 0.145 0.000 0.992 130 I CA -0.078 61.313 61.300 0.152 0.000 1.149 130 I CB 1.541 39.543 38.000 0.003 0.000 1.315 130 I HN 0.802 nan 8.210 nan 0.000 0.446 131 G N 6.540 115.344 108.800 0.007 0.000 2.361 131 G HA2 0.068 4.028 3.960 0.001 0.000 0.331 131 G HA3 0.068 4.028 3.960 0.001 0.000 0.331 131 G C -3.223 171.537 174.900 -0.233 0.000 1.324 131 G CA -1.008 43.903 45.100 -0.316 0.000 0.984 131 G HN 0.390 nan 8.290 nan 0.000 0.586 132 P HA 0.619 nan 4.420 nan 0.000 0.277 132 P C -0.233 176.846 177.300 -0.368 0.000 1.240 132 P CA -0.312 62.342 63.100 -0.743 0.000 0.798 132 P CB 1.037 32.484 31.700 -0.421 0.000 0.979 133 L N 1.925 122.965 121.223 -0.306 0.000 2.313 133 L HA 0.489 4.829 4.340 0.001 0.000 0.268 133 L C -2.218 174.704 176.870 0.086 0.000 1.010 133 L CA -2.702 52.046 54.840 -0.153 0.000 0.814 133 L CB 1.345 43.163 42.059 -0.402 0.000 1.304 133 L HN 0.165 nan 8.230 nan 0.000 0.441 134 P HA 0.049 nan 4.420 nan 0.000 0.264 134 P C -2.487 175.018 177.300 0.343 0.000 1.183 134 P CA -0.614 62.615 63.100 0.214 0.000 0.763 134 P CB -0.306 31.520 31.700 0.210 0.000 0.807 135 P HA 0.030 nan 4.420 nan 0.000 0.264 135 P C -0.297 177.033 177.300 0.050 0.000 1.193 135 P CA 0.654 63.843 63.100 0.149 0.000 0.763 135 P CB 0.445 32.182 31.700 0.061 0.000 0.810 136 S N 2.870 118.511 115.700 -0.098 0.000 2.707 136 S HA 0.142 4.612 4.470 0.001 0.000 0.303 136 S C -0.181 174.249 174.600 -0.284 0.000 1.132 136 S CA -0.385 57.589 58.200 -0.377 0.000 1.046 136 S CB 0.105 62.651 63.200 -1.090 0.000 1.004 136 S HN 0.450 nan 8.310 nan 0.000 0.483 137 Q N 2.449 122.103 119.800 -0.242 0.000 2.437 137 Q HA -0.245 4.095 4.340 0.001 0.000 0.274 137 Q C 0.935 176.845 176.000 -0.149 0.000 1.165 137 Q CA 1.286 56.944 55.803 -0.241 0.000 0.925 137 Q CB -2.084 26.323 28.738 -0.552 0.000 1.327 137 Q HN 1.730 nan 8.270 nan 0.000 0.505 138 G N -1.561 107.163 108.800 -0.127 0.000 2.159 138 G HA2 -0.340 3.621 3.960 0.001 0.000 0.256 138 G HA3 -0.340 3.621 3.960 0.001 0.000 0.256 138 G C -0.286 174.472 174.900 -0.237 0.000 0.977 138 G CA 0.432 45.423 45.100 -0.181 0.000 0.652 138 G HN 0.367 nan 8.290 nan 0.000 0.531 139 Y N -1.029 119.273 120.300 0.003 0.000 2.361 139 Y HA 0.693 5.243 4.550 0.001 0.000 0.332 139 Y C 1.385 177.519 175.900 0.390 0.000 1.101 139 Y CA -0.745 57.475 58.100 0.200 0.000 1.137 139 Y CB 1.535 40.144 38.460 0.248 0.000 1.207 139 Y HN -0.036 nan 8.280 nan 0.000 0.463 140 L N 1.399 122.978 121.223 0.594 0.000 2.948 140 L HA 0.288 4.629 4.340 0.001 0.000 0.259 140 L C -0.908 175.986 176.870 0.040 0.000 1.136 140 L CA -0.028 55.016 54.840 0.340 0.000 0.959 140 L CB 0.527 42.671 42.059 0.141 0.000 1.370 140 L HN 0.567 nan 8.230 nan 0.000 0.552 141 Y N -1.055 119.466 120.300 0.368 0.000 2.633 141 Y HA 0.634 5.184 4.550 0.000 0.000 0.339 141 Y C -0.324 175.751 175.900 0.292 0.000 1.045 141 Y CA -1.166 57.079 58.100 0.242 0.000 1.098 141 Y CB 2.185 40.779 38.460 0.222 0.000 1.296 141 Y HN -0.478 nan 8.280 nan 0.000 0.494 142 V N 2.568 122.705 119.914 0.371 0.000 2.531 142 V HA 0.288 4.409 4.120 0.001 0.000 0.301 142 V C -1.051 175.173 176.094 0.216 0.000 1.034 142 V CA -0.751 61.697 62.300 0.247 0.000 0.865 142 V CB 1.834 33.661 31.823 0.007 0.000 0.995 142 V HN 0.506 nan 8.190 nan 0.000 0.424 143 L N 6.754 128.048 121.223 0.117 0.000 2.319 143 L HA 0.589 4.930 4.340 0.001 0.000 0.280 143 L C -0.385 176.476 176.870 -0.016 0.000 1.099 143 L CA 0.500 55.197 54.840 -0.239 0.000 0.828 143 L CB 1.277 43.219 42.059 -0.195 0.000 1.150 143 L HN 0.464 nan 8.230 nan 0.000 0.442 144 V N 6.040 125.909 119.914 -0.075 0.000 2.448 144 V HA 0.513 4.633 4.120 0.001 0.000 0.295 144 V C -0.499 175.607 176.094 0.020 0.000 1.025 144 V CA -0.675 61.627 62.300 0.004 0.000 0.859 144 V CB 1.772 33.587 31.823 -0.013 0.000 0.988 144 V HN 0.510 nan 8.190 nan 0.000 0.431 145 V N 5.535 125.502 119.914 0.089 0.000 2.407 145 V HA 0.503 4.624 4.120 0.001 0.000 0.291 145 V C -0.379 175.767 176.094 0.087 0.000 1.018 145 V CA -0.579 61.753 62.300 0.053 0.000 0.842 145 V CB 1.917 33.752 31.823 0.021 0.000 0.996 145 V HN 0.590 nan 8.190 nan 0.000 0.426 146 V N 3.598 123.550 119.914 0.063 0.000 2.407 146 V HA 0.309 4.429 4.120 0.001 0.000 0.291 146 V C -0.216 175.990 176.094 0.187 0.000 1.018 146 V CA -0.617 61.745 62.300 0.103 0.000 0.842 146 V CB 1.815 33.687 31.823 0.081 0.000 0.996 146 V HN 0.995 nan 8.190 nan 0.000 0.426 147 D N 4.016 124.532 120.400 0.193 0.000 2.417 147 D HA 0.257 4.898 4.640 0.001 0.000 0.250 147 D C 1.423 177.882 176.300 0.265 0.000 1.166 147 D CA 0.805 54.992 54.000 0.312 0.000 0.881 147 D CB 1.786 42.738 40.800 0.252 0.000 1.164 147 D HN 0.557 nan 8.370 nan 0.000 0.467 148 G N 3.762 112.784 108.800 0.371 0.000 2.422 148 G HA2 -0.274 3.686 3.960 0.001 0.000 0.218 148 G HA3 -0.274 3.686 3.960 0.001 0.000 0.218 148 G C 1.274 176.269 174.900 0.158 0.000 1.146 148 G CA 0.422 45.728 45.100 0.343 0.000 0.769 148 G HN 0.554 nan 8.290 nan 0.000 0.547 149 M N 1.520 121.186 119.600 0.110 0.000 2.193 149 M HA -0.028 4.453 4.480 0.001 0.000 0.265 149 M C 2.537 178.844 176.300 0.012 0.000 1.071 149 M CA 2.163 57.489 55.300 0.043 0.000 1.140 149 M CB -0.625 31.978 32.600 0.005 0.000 1.369 149 M HN 0.372 nan 8.290 nan 0.000 0.423 150 T N -3.922 110.631 114.554 -0.002 0.000 3.023 150 T HA 0.312 4.662 4.350 0.001 0.000 0.249 150 T C 1.490 176.197 174.700 0.010 0.000 1.050 150 T CA 0.949 63.036 62.100 -0.021 0.000 1.088 150 T CB 0.074 68.893 68.868 -0.082 0.000 0.946 150 T HN 0.555 nan 8.240 nan 0.000 0.480 151 G N 1.118 109.931 108.800 0.022 0.000 2.179 151 G HA2 -0.266 3.694 3.960 0.001 0.000 0.260 151 G HA3 -0.266 3.694 3.960 0.001 0.000 0.260 151 G C -0.041 174.827 174.900 -0.053 0.000 0.977 151 G CA 0.033 45.126 45.100 -0.012 0.000 0.641 151 G HN 0.664 nan 8.290 nan 0.000 0.533 152 F N 2.670 122.498 119.950 -0.204 0.000 2.608 152 F HA 0.473 5.000 4.527 0.000 0.000 0.380 152 F C 0.711 176.242 175.800 -0.448 0.000 1.083 152 F CA 1.330 59.105 58.000 -0.375 0.000 1.266 152 F CB 0.784 39.478 39.000 -0.509 0.000 1.076 152 F HN 0.034 nan 8.300 nan 0.000 0.574 153 T N 6.016 120.078 114.554 -0.819 0.000 2.861 153 T HA 0.293 4.643 4.350 0.001 0.000 0.287 153 T C -1.109 173.264 174.700 -0.545 0.000 1.003 153 T CA -0.502 61.336 62.100 -0.437 0.000 0.977 153 T CB 1.017 69.698 68.868 -0.311 0.000 0.996 153 T HN 0.473 nan 8.240 nan 0.000 0.448 154 W N 2.999 124.220 121.300 -0.131 0.000 2.666 154 W HA 0.630 5.290 4.660 0.000 0.000 0.334 154 W C -1.047 175.337 176.519 -0.224 0.000 1.051 154 W CA -0.892 56.364 57.345 -0.148 0.000 1.224 154 W CB 1.464 30.940 29.460 0.027 0.000 1.405 154 W HN 0.299 nan 8.180 nan 0.000 0.513 155 L N 3.242 124.331 121.223 -0.223 0.000 2.362 155 L HA 0.480 4.820 4.340 0.001 0.000 0.275 155 L C -1.403 175.189 176.870 -0.462 0.000 0.998 155 L CA -1.033 53.677 54.840 -0.217 0.000 0.820 155 L CB 1.440 43.407 42.059 -0.155 0.000 1.270 155 L HN 0.291 nan 8.230 nan 0.000 0.415 156 Y N 3.057 123.397 120.300 0.067 0.000 2.346 156 Y HA 0.403 4.953 4.550 0.000 0.000 0.332 156 Y C -2.285 173.694 175.900 0.132 0.000 0.985 156 Y CA -2.487 55.660 58.100 0.078 0.000 1.112 156 Y CB 1.963 40.478 38.460 0.092 0.000 1.170 156 Y HN 0.356 nan 8.280 nan 0.000 0.447 157 P HA 0.159 nan 4.420 nan 0.000 0.280 157 P C -0.357 177.229 177.300 0.477 0.000 1.244 157 P CA -0.071 63.218 63.100 0.314 0.000 0.784 157 P CB 1.666 33.322 31.700 -0.073 0.000 0.913 158 T N -0.690 114.284 114.554 0.700 0.000 2.887 158 T HA 0.414 4.764 4.350 0.001 0.000 0.292 158 T C 0.805 175.901 174.700 0.659 0.000 1.087 158 T CA -0.766 61.749 62.100 0.691 0.000 1.009 158 T CB 1.896 71.048 68.868 0.474 0.000 1.203 158 T HN 0.167 nan 8.240 nan 0.000 0.518 159 K N -0.046 120.555 120.400 0.335 0.000 2.314 159 K HA 0.539 4.859 4.320 0.001 0.000 0.198 159 K C 0.631 177.331 176.600 0.166 0.000 1.045 159 K CA 0.429 56.814 56.287 0.164 0.000 0.988 159 K CB 0.396 32.866 32.500 -0.050 0.000 0.783 159 K HN 0.771 nan 8.250 nan 0.000 0.484 160 A N 1.138 123.950 122.820 -0.013 0.000 2.594 160 A HA 0.376 4.697 4.320 0.001 0.000 0.295 160 A C -2.750 174.369 177.584 -0.775 0.000 1.071 160 A CA -1.270 50.531 52.037 -0.394 0.000 0.685 160 A CB 1.137 19.980 19.000 -0.263 0.000 1.285 160 A HN -0.155 nan 8.150 nan 0.000 0.405 161 P HA 0.141 nan 4.420 nan 0.000 0.226 161 P C -0.004 176.718 177.300 -0.963 0.000 1.783 161 P CA 0.282 62.382 63.100 -1.667 0.000 0.980 161 P CB -0.483 30.302 31.700 -1.526 0.000 1.967 162 S N -0.811 114.533 115.700 -0.594 0.000 2.646 162 S HA 0.296 4.766 4.470 0.001 0.000 0.276 162 S C 1.401 175.845 174.600 -0.259 0.000 1.222 162 S CA -0.335 57.654 58.200 -0.352 0.000 1.014 162 S CB 0.535 63.603 63.200 -0.220 0.000 0.991 162 S HN 0.061 nan 8.310 nan 0.000 0.533 163 T N 1.883 116.308 114.554 -0.215 0.000 2.746 163 T HA -0.141 4.209 4.350 0.001 0.000 0.267 163 T C 2.235 176.886 174.700 -0.081 0.000 1.039 163 T CA 1.899 63.909 62.100 -0.149 0.000 1.142 163 T CB -0.695 68.142 68.868 -0.052 0.000 0.866 163 T HN 0.869 nan 8.240 nan 0.000 0.444 164 S N 1.725 117.386 115.700 -0.066 0.000 2.383 164 S HA 0.028 4.498 4.470 0.001 0.000 0.227 164 S C 2.354 176.936 174.600 -0.030 0.000 1.026 164 S CA 1.015 59.194 58.200 -0.035 0.000 0.981 164 S CB -0.455 62.731 63.200 -0.023 0.000 0.818 164 S HN 0.477 nan 8.310 nan 0.000 0.472 165 A N 1.079 123.886 122.820 -0.021 0.000 2.016 165 A HA 0.105 4.425 4.320 0.001 0.000 0.217 165 A C 2.340 179.943 177.584 0.031 0.000 1.162 165 A CA 1.607 53.667 52.037 0.039 0.000 0.662 165 A CB -1.339 17.715 19.000 0.089 0.000 0.812 165 A HN 0.587 nan 8.150 nan 0.000 0.450 166 T N -0.313 114.249 114.554 0.012 0.000 2.737 166 T HA -0.112 4.239 4.350 0.001 0.000 0.265 166 T C 1.885 176.464 174.700 -0.202 0.000 1.038 166 T CA 1.633 63.707 62.100 -0.043 0.000 1.144 166 T CB -0.366 68.461 68.868 -0.070 0.000 0.866 166 T HN 0.139 nan 8.240 nan 0.000 0.434 167 V N 1.612 121.385 119.914 -0.235 0.000 2.307 167 V HA -0.165 3.955 4.120 0.001 0.000 0.245 167 V C 2.498 178.450 176.094 -0.238 0.000 1.045 167 V CA 1.520 63.553 62.300 -0.444 0.000 1.024 167 V CB -0.485 31.126 31.823 -0.354 0.000 0.651 167 V HN 0.468 nan 8.190 nan 0.000 0.449 168 K N 0.127 120.463 120.400 -0.108 0.000 2.074 168 K HA -0.200 4.120 4.320 0.001 0.000 0.209 168 K C 2.358 178.893 176.600 -0.108 0.000 1.048 168 K CA 1.976 58.236 56.287 -0.045 0.000 0.926 168 K CB -0.387 32.119 32.500 0.010 0.000 0.713 168 K HN 0.413 nan 8.250 nan 0.000 0.444 169 S N 1.274 116.837 115.700 -0.229 0.000 2.371 169 S HA -0.011 4.459 4.470 0.001 0.000 0.224 169 S C 1.983 176.236 174.600 -0.579 0.000 1.029 169 S CA 0.825 58.684 58.200 -0.568 0.000 0.978 169 S CB -0.110 62.620 63.200 -0.784 0.000 0.833 169 S HN 0.189 nan 8.310 nan 0.000 0.466 170 L N 1.643 122.658 121.223 -0.346 0.000 2.156 170 L HA -0.051 4.289 4.340 0.001 0.000 0.208 170 L C 2.088 179.015 176.870 0.095 0.000 1.095 170 L CA 0.649 55.406 54.840 -0.139 0.000 0.770 170 L CB -0.677 41.291 42.059 -0.151 0.000 0.914 170 L HN 0.241 nan 8.230 nan 0.000 0.439 171 N N 0.060 118.836 118.700 0.126 0.000 2.094 171 N HA -0.166 4.574 4.740 0.001 0.000 0.191 171 N C 1.852 177.422 175.510 0.099 0.000 1.023 171 N CA 1.234 54.405 53.050 0.201 0.000 0.857 171 N CB -0.414 38.188 38.487 0.190 0.000 1.013 171 N HN 0.113 nan 8.380 nan 0.000 0.426 172 V N 1.110 121.045 119.914 0.035 0.000 2.307 172 V HA -0.144 3.976 4.120 0.001 0.000 0.245 172 V C 2.311 178.458 176.094 0.089 0.000 1.045 172 V CA 0.949 63.295 62.300 0.077 0.000 1.024 172 V CB -0.525 31.372 31.823 0.122 0.000 0.651 172 V HN 0.212 nan 8.190 nan 0.000 0.449 173 L N 1.357 122.596 121.223 0.028 0.000 2.017 173 L HA -0.140 4.200 4.340 0.001 0.000 0.208 173 L C 2.555 179.407 176.870 -0.031 0.000 1.073 173 L CA 2.900 57.720 54.840 -0.033 0.000 0.745 173 L CB -1.327 40.630 42.059 -0.170 0.000 0.894 173 L HN 0.585 nan 8.230 nan 0.000 0.432 174 T N -4.452 110.122 114.554 0.033 0.000 3.160 174 T HA -0.002 4.348 4.350 0.001 0.000 0.257 174 T C 1.857 176.546 174.700 -0.019 0.000 1.147 174 T CA 0.818 62.926 62.100 0.013 0.000 1.064 174 T CB -0.577 68.327 68.868 0.061 0.000 0.949 174 T HN 0.291 nan 8.240 nan 0.000 0.526 175 S N 1.412 117.124 115.700 0.019 0.000 2.407 175 S HA -0.071 4.399 4.470 0.001 0.000 0.235 175 S C 1.693 176.292 174.600 -0.002 0.000 1.036 175 S CA 1.059 59.269 58.200 0.018 0.000 1.013 175 S CB -0.344 62.890 63.200 0.056 0.000 0.820 175 S HN 0.440 nan 8.310 nan 0.000 0.476 176 I N 0.257 120.825 120.570 -0.003 0.000 2.339 176 I HA 0.290 4.461 4.170 0.001 0.000 0.245 176 I C 1.023 177.042 176.117 -0.164 0.000 1.096 176 I CA 0.330 61.630 61.300 -0.001 0.000 1.408 176 I CB -1.284 36.798 38.000 0.138 0.000 1.092 176 I HN 0.217 nan 8.210 nan 0.000 0.423 177 A N 0.130 122.765 122.820 -0.308 0.000 2.608 177 A HA 0.634 4.955 4.320 0.001 0.000 0.292 177 A C -1.161 176.149 177.584 -0.457 0.000 1.066 177 A CA -0.485 51.195 52.037 -0.595 0.000 0.676 177 A CB 1.194 19.289 19.000 -1.508 0.000 1.277 177 A HN -0.025 nan 8.150 nan 0.000 0.413 178 I N 2.469 122.790 120.570 -0.415 0.000 2.404 178 I HA 0.422 4.593 4.170 0.001 0.000 0.293 178 I C -2.156 173.754 176.117 -0.344 0.000 0.992 178 I CA -1.734 59.380 61.300 -0.311 0.000 1.149 178 I CB 1.849 39.696 38.000 -0.255 0.000 1.315 178 I HN 0.501 nan 8.210 nan 0.000 0.446 179 P HA 0.348 nan 4.420 nan 0.000 0.284 179 P C -0.018 177.105 177.300 -0.295 0.000 1.258 179 P CA -0.618 62.209 63.100 -0.455 0.000 0.824 179 P CB 1.719 32.790 31.700 -1.047 0.000 1.038 180 K N 0.050 120.328 120.400 -0.202 0.000 2.025 180 K HA 0.053 4.373 4.320 0.001 0.000 0.207 180 K C 0.448 176.973 176.600 -0.126 0.000 1.049 180 K CA 1.144 57.349 56.287 -0.137 0.000 0.933 180 K CB -0.068 32.380 32.500 -0.087 0.000 0.714 180 K HN 0.258 nan 8.250 nan 0.000 0.438 181 V N 1.332 121.154 119.914 -0.154 0.000 2.789 181 V HA 0.347 4.467 4.120 0.001 0.000 0.311 181 V C -0.763 175.216 176.094 -0.192 0.000 1.073 181 V CA -0.797 61.428 62.300 -0.126 0.000 0.921 181 V CB 2.187 33.973 31.823 -0.062 0.000 1.009 181 V HN 0.078 nan 8.190 nan 0.000 0.426 182 I N 3.075 123.533 120.570 -0.187 0.000 2.389 182 I HA 0.408 4.578 4.170 0.001 0.000 0.288 182 I C -0.621 175.335 176.117 -0.269 0.000 0.999 182 I CA -0.444 60.770 61.300 -0.142 0.000 1.129 182 I CB 1.413 39.408 38.000 -0.009 0.000 1.288 182 I HN 0.733 nan 8.210 nan 0.000 0.444 183 H N 5.649 124.470 119.070 -0.414 0.000 2.519 183 H HA 0.574 5.130 4.556 0.001 0.000 0.316 183 H C -0.409 174.728 175.328 -0.319 0.000 1.065 183 H CA -0.223 55.554 56.048 -0.450 0.000 1.264 183 H CB 1.051 30.404 29.762 -0.681 0.000 1.413 183 H HN 0.624 nan 8.280 nan 0.000 0.465 184 S N 2.900 118.354 115.700 -0.411 0.000 2.661 184 S HA 0.343 4.813 4.470 0.001 0.000 0.285 184 S C -0.710 173.909 174.600 0.031 0.000 1.138 184 S CA -0.911 57.168 58.200 -0.203 0.000 0.855 184 S CB 1.635 64.458 63.200 -0.627 0.000 1.136 184 S HN 0.763 nan 8.310 nan 0.000 0.484 185 D N 0.089 120.617 120.400 0.214 0.000 2.398 185 D HA 0.191 4.831 4.640 0.001 0.000 0.264 185 D C 0.208 176.728 176.300 0.366 0.000 1.263 185 D CA -0.387 53.780 54.000 0.279 0.000 1.037 185 D CB -0.069 40.873 40.800 0.237 0.000 1.101 185 D HN 0.655 nan 8.370 nan 0.000 0.551 186 Q N -0.768 119.145 119.800 0.188 0.000 2.244 186 Q HA 0.267 4.608 4.340 0.001 0.000 0.239 186 Q C 0.485 176.499 176.000 0.024 0.000 0.890 186 Q CA -0.418 55.430 55.803 0.075 0.000 0.964 186 Q CB 0.406 29.093 28.738 -0.086 0.000 1.076 186 Q HN 0.545 nan 8.270 nan 0.000 0.447 187 G N 0.209 109.077 108.800 0.114 0.000 2.474 187 G HA2 0.092 4.052 3.960 0.001 0.000 0.233 187 G HA3 0.092 4.052 3.960 0.001 0.000 0.233 187 G C 1.012 175.808 174.900 -0.174 0.000 1.278 187 G CA 0.236 45.302 45.100 -0.057 0.000 0.861 187 G HN 0.366 nan 8.290 nan 0.000 0.567 188 A N 2.487 125.178 122.820 -0.215 0.000 1.903 188 A HA -0.045 4.275 4.320 0.001 0.000 0.219 188 A C 2.882 180.288 177.584 -0.297 0.000 1.191 188 A CA 2.993 54.903 52.037 -0.213 0.000 0.638 188 A CB -1.019 17.862 19.000 -0.198 0.000 0.823 188 A HN 1.685 nan 8.150 nan 0.000 0.451 189 A N -1.481 121.019 122.820 -0.533 0.000 1.958 189 A HA -0.102 4.218 4.320 0.001 0.000 0.221 189 A C 1.707 178.911 177.584 -0.634 0.000 1.178 189 A CA 2.027 53.642 52.037 -0.703 0.000 0.642 189 A CB -0.695 17.659 19.000 -1.077 0.000 0.816 189 A HN 0.606 nan 8.150 nan 0.000 0.453 190 F N -1.036 118.806 119.950 -0.180 0.000 2.704 190 F HA 0.138 4.665 4.527 0.001 0.000 0.304 190 F C 2.195 178.181 175.800 0.310 0.000 1.094 190 F CA 0.900 58.797 58.000 -0.172 0.000 1.275 190 F CB -0.440 38.551 39.000 -0.016 0.000 1.073 190 F HN 0.251 nan 8.300 nan 0.000 0.586 191 T N -3.218 111.477 114.554 0.235 0.000 3.023 191 T HA 0.128 4.478 4.350 0.001 0.000 0.253 191 T C 0.940 175.687 174.700 0.078 0.000 1.038 191 T CA 0.222 62.362 62.100 0.067 0.000 0.962 191 T CB -0.582 68.188 68.868 -0.164 0.000 1.018 191 T HN 0.092 nan 8.240 nan 0.000 0.521 192 S N 2.041 117.804 115.700 0.105 0.000 2.568 192 S HA 0.190 4.660 4.470 0.001 0.000 0.282 192 S C 1.590 176.286 174.600 0.160 0.000 1.338 192 S CA -0.017 58.238 58.200 0.091 0.000 1.045 192 S CB 1.122 64.361 63.200 0.065 0.000 0.873 192 S HN 0.482 nan 8.310 nan 0.000 0.516 193 S N 1.993 117.756 115.700 0.105 0.000 2.428 193 S HA -0.107 4.363 4.470 0.001 0.000 0.230 193 S C 1.671 176.351 174.600 0.133 0.000 1.014 193 S CA 1.096 59.361 58.200 0.108 0.000 0.957 193 S CB -1.387 61.851 63.200 0.064 0.000 0.784 193 S HN 0.819 nan 8.310 nan 0.000 0.499 194 T N 1.747 116.383 114.554 0.137 0.000 2.720 194 T HA -0.034 4.316 4.350 0.001 0.000 0.268 194 T C 1.240 176.091 174.700 0.251 0.000 1.037 194 T CA 1.472 63.668 62.100 0.159 0.000 1.144 194 T CB -0.535 68.409 68.868 0.126 0.000 0.864 194 T HN 0.467 nan 8.240 nan 0.000 0.444 195 F N 1.949 121.975 119.950 0.127 0.000 2.206 195 F HA 0.171 4.698 4.527 0.000 0.000 0.298 195 F C 2.416 178.372 175.800 0.261 0.000 1.090 195 F CA 0.453 58.565 58.000 0.187 0.000 1.323 195 F CB -0.722 38.378 39.000 0.166 0.000 1.028 195 F HN 0.133 nan 8.300 nan 0.000 0.492 196 A N 0.038 122.983 122.820 0.208 0.000 1.883 196 A HA -0.248 4.073 4.320 0.001 0.000 0.217 196 A C 2.155 179.755 177.584 0.028 0.000 1.186 196 A CA 2.080 54.179 52.037 0.103 0.000 0.624 196 A CB -0.966 18.116 19.000 0.136 0.000 0.822 196 A HN 0.500 nan 8.150 nan 0.000 0.444 197 E N -1.726 118.513 120.200 0.066 0.000 2.051 197 E HA -0.241 4.109 4.350 0.001 0.000 0.192 197 E C 1.737 178.345 176.600 0.013 0.000 0.991 197 E CA 1.395 57.817 56.400 0.037 0.000 0.799 197 E CB -0.279 29.460 29.700 0.065 0.000 0.748 197 E HN 0.836 nan 8.360 nan 0.000 0.449 198 W N 1.175 122.400 121.300 -0.124 0.000 2.342 198 W HA -0.255 4.405 4.660 0.000 0.000 0.297 198 W C 2.161 178.538 176.519 -0.237 0.000 1.213 198 W CA 2.111 59.362 57.345 -0.156 0.000 1.251 198 W CB -0.182 29.196 29.460 -0.136 0.000 1.136 198 W HN 0.054 nan 8.180 nan 0.000 0.526 199 A N 0.287 122.995 122.820 -0.187 0.000 1.872 199 A HA -0.163 4.157 4.320 0.001 0.000 0.214 199 A C 2.045 179.426 177.584 -0.337 0.000 1.187 199 A CA 1.773 53.590 52.037 -0.366 0.000 0.614 199 A CB -0.962 17.879 19.000 -0.265 0.000 0.826 199 A HN 0.341 nan 8.150 nan 0.000 0.442 200 K N -0.181 120.096 120.400 -0.204 0.000 2.032 200 K HA -0.216 4.104 4.320 0.001 0.000 0.209 200 K C 1.891 178.377 176.600 -0.191 0.000 1.048 200 K CA 1.755 57.951 56.287 -0.150 0.000 0.927 200 K CB -0.225 32.226 32.500 -0.081 0.000 0.712 200 K HN 0.573 nan 8.250 nan 0.000 0.441 201 E N -0.212 119.853 120.200 -0.225 0.000 2.208 201 E HA -0.219 4.131 4.350 0.001 0.000 0.202 201 E C 1.385 177.809 176.600 -0.294 0.000 1.014 201 E CA 1.468 57.723 56.400 -0.242 0.000 0.819 201 E CB 0.105 29.644 29.700 -0.269 0.000 0.735 201 E HN 0.253 nan 8.360 nan 0.000 0.469 202 R N -1.733 118.529 120.500 -0.395 0.000 2.472 202 R HA 0.181 4.521 4.340 0.001 0.000 0.279 202 R C 0.829 176.955 176.300 -0.289 0.000 0.953 202 R CA 0.442 56.309 56.100 -0.388 0.000 1.088 202 R CB 1.232 31.181 30.300 -0.585 0.000 1.197 202 R HN 0.172 nan 8.270 nan 0.000 0.536 203 G N 1.646 110.307 108.800 -0.233 0.000 2.153 203 G HA2 -0.285 3.675 3.960 0.001 0.000 0.252 203 G HA3 -0.285 3.675 3.960 0.001 0.000 0.252 203 G C 0.115 174.917 174.900 -0.163 0.000 0.994 203 G CA -0.032 44.968 45.100 -0.168 0.000 0.698 203 G HN 0.260 nan 8.290 nan 0.000 0.521 204 I N 0.728 121.172 120.570 -0.211 0.000 2.371 204 I HA 0.307 4.477 4.170 0.001 0.000 0.290 204 I C 0.699 176.749 176.117 -0.112 0.000 1.028 204 I CA -0.955 60.234 61.300 -0.185 0.000 1.345 204 I CB 0.914 38.762 38.000 -0.253 0.000 1.407 204 I HN 0.252 nan 8.210 nan 0.000 0.501 205 H N 7.036 126.012 119.070 -0.158 0.000 2.562 205 H HA 0.421 4.977 4.556 0.001 0.000 0.314 205 H C -0.920 174.312 175.328 -0.160 0.000 1.079 205 H CA -0.327 55.642 56.048 -0.132 0.000 1.349 205 H CB 0.767 30.465 29.762 -0.108 0.000 1.432 205 H HN 0.443 nan 8.280 nan 0.000 0.479 206 L N 5.049 125.816 121.223 -0.760 0.000 2.290 206 L HA 0.270 4.610 4.340 0.001 0.000 0.284 206 L C 0.297 176.565 176.870 -1.003 0.000 1.078 206 L CA -0.108 54.284 54.840 -0.745 0.000 0.815 206 L CB 0.907 42.675 42.059 -0.484 0.000 1.162 206 L HN 0.693 nan 8.230 nan 0.000 0.435 207 E N 3.097 122.776 120.200 -0.869 0.000 2.187 207 E HA 0.496 4.846 4.350 0.001 0.000 0.268 207 E C -1.624 174.410 176.600 -0.943 0.000 0.896 207 E CA -0.650 55.372 56.400 -0.630 0.000 0.766 207 E CB 1.478 30.996 29.700 -0.303 0.000 1.142 207 E HN 0.261 nan 8.360 nan 0.000 0.408 208 F N 1.357 121.116 119.950 -0.318 0.000 2.508 208 F HA 0.330 4.857 4.527 0.000 0.000 0.325 208 F C 0.643 176.313 175.800 -0.217 0.000 1.090 208 F CA -0.712 57.109 58.000 -0.299 0.000 0.945 208 F CB 2.039 40.977 39.000 -0.104 0.000 1.156 208 F HN 0.260 nan 8.300 nan 0.000 0.463 209 S N 0.882 116.623 115.700 0.068 0.000 2.568 209 S HA 0.157 4.627 4.470 0.001 0.000 0.282 209 S C 0.191 174.922 174.600 0.219 0.000 1.338 209 S CA -0.621 57.747 58.200 0.281 0.000 1.045 209 S CB 0.312 63.727 63.200 0.357 0.000 0.873 209 S HN 0.736 nan 8.310 nan 0.000 0.516 210 T N 2.032 116.713 114.554 0.211 0.000 2.855 210 T HA 0.185 4.536 4.350 0.001 0.000 0.322 210 T C -2.519 172.274 174.700 0.154 0.000 1.088 210 T CA -1.216 60.975 62.100 0.152 0.000 1.104 210 T CB -0.396 68.533 68.868 0.101 0.000 0.996 210 T HN 0.332 nan 8.240 nan 0.000 0.549 211 P HA 0.122 nan 4.420 nan 0.000 0.275 211 P C -0.519 176.899 177.300 0.196 0.000 1.228 211 P CA -0.369 62.761 63.100 0.050 0.000 0.786 211 P CB -0.181 31.579 31.700 0.101 0.000 0.927 212 Y N -0.885 119.505 120.300 0.150 0.000 3.037 212 Y HA -0.240 4.310 4.550 0.000 0.000 0.204 212 Y C 0.613 176.642 175.900 0.214 0.000 1.275 212 Y CA 1.055 59.241 58.100 0.144 0.000 1.066 212 Y CB -2.683 35.838 38.460 0.101 0.000 1.305 212 Y HN 0.578 nan 8.280 nan 0.000 0.499 213 H N 0.569 119.737 119.070 0.164 0.000 2.596 213 H HA 0.158 4.714 4.556 0.000 0.000 0.240 213 H C -2.156 173.248 175.328 0.127 0.000 1.406 213 H CA -1.526 54.610 56.048 0.146 0.000 1.504 213 H CB 1.480 31.331 29.762 0.147 0.000 1.688 213 H HN 0.023 nan 8.280 nan 0.000 0.546 214 P HA -0.126 nan 4.420 nan 0.000 0.222 214 P C 1.151 178.391 177.300 -0.100 0.000 1.147 214 P CA 0.684 63.773 63.100 -0.018 0.000 0.790 214 P CB 0.527 32.231 31.700 0.007 0.000 0.780 215 Q N 0.155 119.780 119.800 -0.292 0.000 2.197 215 Q HA -0.156 4.184 4.340 0.001 0.000 0.211 215 Q C 2.425 178.366 176.000 -0.097 0.000 0.993 215 Q CA 2.151 57.804 55.803 -0.250 0.000 0.883 215 Q CB -1.157 27.335 28.738 -0.411 0.000 0.916 215 Q HN 0.237 nan 8.270 nan 0.000 0.418 216 S N -0.328 115.377 115.700 0.009 0.000 2.383 216 S HA -0.049 4.421 4.470 0.001 0.000 0.227 216 S C 1.381 176.032 174.600 0.084 0.000 1.026 216 S CA 1.026 59.330 58.200 0.173 0.000 0.981 216 S CB -0.013 63.416 63.200 0.383 0.000 0.818 216 S HN 0.273 nan 8.310 nan 0.000 0.472 217 S N 1.207 116.972 115.700 0.109 0.000 2.685 217 S HA 0.220 4.690 4.470 0.001 0.000 0.240 217 S C 1.775 176.325 174.600 -0.085 0.000 0.967 217 S CA 0.072 58.323 58.200 0.085 0.000 1.009 217 S CB -0.026 63.297 63.200 0.203 0.000 0.776 217 S HN 0.587 nan 8.310 nan 0.000 0.467 218 G N 2.995 111.708 108.800 -0.145 0.000 2.547 218 G HA2 -0.299 3.661 3.960 0.001 0.000 0.221 218 G HA3 -0.299 3.661 3.960 0.001 0.000 0.221 218 G C 1.628 176.387 174.900 -0.235 0.000 1.140 218 G CA 0.853 45.853 45.100 -0.168 0.000 0.760 218 G HN 0.361 nan 8.290 nan 0.000 0.583 219 K N -0.190 119.942 120.400 -0.445 0.000 2.020 219 K HA -0.093 4.227 4.320 0.001 0.000 0.212 219 K C 2.600 179.040 176.600 -0.266 0.000 1.050 219 K CA 1.591 57.586 56.287 -0.486 0.000 0.929 219 K CB -0.874 31.017 32.500 -1.015 0.000 0.714 219 K HN 0.293 nan 8.250 nan 0.000 0.443 220 V N 1.370 121.174 119.914 -0.183 0.000 2.535 220 V HA -0.125 3.996 4.120 0.001 0.000 0.246 220 V C 1.961 178.031 176.094 -0.039 0.000 1.045 220 V CA 1.409 63.683 62.300 -0.044 0.000 1.058 220 V CB -0.071 31.790 31.823 0.064 0.000 0.689 220 V HN 0.234 nan 8.190 nan 0.000 0.461 221 E N 0.600 120.777 120.200 -0.039 0.000 2.070 221 E HA -0.281 4.070 4.350 0.001 0.000 0.197 221 E C 2.320 178.892 176.600 -0.045 0.000 1.004 221 E CA 1.724 58.109 56.400 -0.026 0.000 0.805 221 E CB -0.488 29.197 29.700 -0.026 0.000 0.744 221 E HN 0.481 nan 8.360 nan 0.000 0.451 222 R N 1.486 121.943 120.500 -0.070 0.000 2.120 222 R HA -0.120 4.221 4.340 0.001 0.000 0.234 222 R C 2.024 178.283 176.300 -0.068 0.000 1.123 222 R CA 1.652 57.709 56.100 -0.070 0.000 0.975 222 R CB -0.253 29.996 30.300 -0.085 0.000 0.866 222 R HN -0.074 nan 8.270 nan 0.000 0.446 223 K N 0.316 120.672 120.400 -0.073 0.000 2.103 223 K HA 0.010 4.331 4.320 0.001 0.000 0.204 223 K C 1.505 178.065 176.600 -0.066 0.000 1.052 223 K CA 1.448 57.691 56.287 -0.074 0.000 0.945 223 K CB -0.231 32.222 32.500 -0.078 0.000 0.722 223 K HN 0.197 nan 8.250 nan 0.000 0.443 224 N N 0.241 118.910 118.700 -0.051 0.000 2.060 224 N HA -0.206 4.534 4.740 0.001 0.000 0.195 224 N C 1.742 177.219 175.510 -0.055 0.000 1.028 224 N CA 1.567 54.589 53.050 -0.047 0.000 0.861 224 N CB -0.853 37.620 38.487 -0.025 0.000 1.029 224 N HN 0.203 nan 8.380 nan 0.000 0.428 225 S N 0.789 116.459 115.700 -0.050 0.000 2.359 225 S HA -0.158 4.313 4.470 0.001 0.000 0.223 225 S C 1.262 175.829 174.600 -0.055 0.000 1.039 225 S CA 1.481 59.651 58.200 -0.049 0.000 1.042 225 S CB -0.279 62.894 63.200 -0.045 0.000 0.915 225 S HN 0.231 nan 8.310 nan 0.000 0.439 226 D N 0.928 121.291 120.400 -0.061 0.000 2.144 226 D HA -0.033 4.607 4.640 0.001 0.000 0.199 226 D C 1.915 178.173 176.300 -0.069 0.000 0.984 226 D CA 1.021 54.982 54.000 -0.064 0.000 0.834 226 D CB -0.388 40.369 40.800 -0.071 0.000 0.955 226 D HN 0.474 nan 8.370 nan 0.000 0.465 227 I N 0.892 121.416 120.570 -0.077 0.000 2.142 227 I HA -0.253 3.918 4.170 0.001 0.000 0.240 227 I C 2.347 178.416 176.117 -0.079 0.000 1.078 227 I CA 1.156 62.406 61.300 -0.083 0.000 1.343 227 I CB -0.162 37.783 38.000 -0.091 0.000 1.046 227 I HN -0.098 nan 8.210 nan 0.000 0.405 228 K N 0.369 120.720 120.400 -0.082 0.000 2.057 228 K HA -0.218 4.102 4.320 0.001 0.000 0.207 228 K C 2.287 178.852 176.600 -0.059 0.000 1.049 228 K CA 1.355 57.592 56.287 -0.084 0.000 0.931 228 K CB -0.226 32.225 32.500 -0.083 0.000 0.714 228 K HN 0.219 nan 8.250 nan 0.000 0.440 229 R N 1.028 121.497 120.500 -0.052 0.000 2.081 229 R HA -0.136 4.204 4.340 0.001 0.000 0.235 229 R C 2.289 178.568 176.300 -0.036 0.000 1.131 229 R CA 1.120 57.196 56.100 -0.041 0.000 0.960 229 R CB -0.236 30.040 30.300 -0.040 0.000 0.856 229 R HN 0.099 nan 8.270 nan 0.000 0.436 230 L N 0.876 122.074 121.223 -0.041 0.000 2.093 230 L HA -0.044 4.297 4.340 0.001 0.000 0.208 230 L C 1.956 178.814 176.870 -0.021 0.000 1.085 230 L CA 1.492 56.311 54.840 -0.035 0.000 0.755 230 L CB -0.308 41.724 42.059 -0.045 0.000 0.904 230 L HN 0.255 nan 8.230 nan 0.000 0.435 231 L N -1.091 120.119 121.223 -0.022 0.000 2.042 231 L HA -0.236 4.104 4.340 0.001 0.000 0.210 231 L C 2.368 179.245 176.870 0.013 0.000 1.076 231 L CA 1.845 56.688 54.840 0.005 0.000 0.749 231 L CB -1.003 41.052 42.059 -0.007 0.000 0.893 231 L HN 0.283 nan 8.230 nan 0.000 0.432 232 T N -0.331 114.219 114.554 -0.006 0.000 2.622 232 T HA -0.234 4.117 4.350 0.001 0.000 0.266 232 T C 1.874 176.577 174.700 0.004 0.000 1.047 232 T CA 1.513 63.613 62.100 -0.001 0.000 1.159 232 T CB -0.148 68.712 68.868 -0.014 0.000 0.863 232 T HN 0.277 nan 8.240 nan 0.000 0.422 233 K N 0.713 121.111 120.400 -0.004 0.000 2.113 233 K HA -0.028 4.292 4.320 0.001 0.000 0.208 233 K C 2.160 178.762 176.600 0.004 0.000 1.047 233 K CA 1.118 57.403 56.287 -0.004 0.000 0.928 233 K CB -0.351 32.142 32.500 -0.011 0.000 0.716 233 K HN 0.315 nan 8.250 nan 0.000 0.446 234 L N 0.474 121.702 121.223 0.009 0.000 2.395 234 L HA -0.061 4.279 4.340 0.001 0.000 0.218 234 L C 1.761 178.647 176.870 0.026 0.000 1.130 234 L CA 0.557 55.406 54.840 0.015 0.000 0.826 234 L CB -0.028 42.041 42.059 0.017 0.000 0.941 234 L HN 0.170 nan 8.230 nan 0.000 0.451 235 L N -1.004 120.238 121.223 0.032 0.000 2.640 235 L HA 0.136 4.476 4.340 0.001 0.000 0.230 235 L C 0.560 177.449 176.870 0.031 0.000 1.123 235 L CA -0.409 54.457 54.840 0.042 0.000 0.900 235 L CB 0.659 42.757 42.059 0.065 0.000 1.146 235 L HN -0.103 nan 8.230 nan 0.000 0.484 236 V N 1.611 121.537 119.914 0.020 0.000 2.584 236 V HA 0.010 4.131 4.120 0.001 0.000 0.303 236 V C 1.524 177.627 176.094 0.015 0.000 1.035 236 V CA 1.431 63.740 62.300 0.014 0.000 1.172 236 V CB 0.216 32.044 31.823 0.008 0.000 0.896 236 V HN 0.694 nan 8.190 nan 0.000 0.486 237 G N 4.708 113.517 108.800 0.014 0.000 2.166 237 G HA2 -0.276 3.684 3.960 0.001 0.000 0.260 237 G HA3 -0.276 3.684 3.960 0.001 0.000 0.260 237 G C 0.254 175.164 174.900 0.015 0.000 0.986 237 G CA 0.697 45.805 45.100 0.013 0.000 0.683 237 G HN 0.699 nan 8.290 nan 0.000 0.527 238 R N -0.042 120.471 120.500 0.021 0.000 2.888 238 R HA 0.594 4.934 4.340 0.001 0.000 0.266 238 R C -2.459 173.859 176.300 0.030 0.000 1.020 238 R CA -1.876 54.237 56.100 0.023 0.000 0.963 238 R CB 1.428 31.743 30.300 0.025 0.000 1.197 238 R HN 0.107 nan 8.270 nan 0.000 0.481 239 P HA 0.006 nan 4.420 nan 0.000 0.272 239 P C -0.039 177.294 177.300 0.056 0.000 1.223 239 P CA -0.200 62.922 63.100 0.036 0.000 0.784 239 P CB 0.474 32.189 31.700 0.024 0.000 0.923 240 T N -1.401 113.201 114.554 0.081 0.000 4.647 240 T HA 0.102 4.452 4.350 0.001 0.000 0.224 240 T C 0.422 175.218 174.700 0.160 0.000 0.928 240 T CA -0.409 61.777 62.100 0.144 0.000 0.969 240 T CB -1.066 67.909 68.868 0.178 0.000 1.425 240 T HN 0.244 nan 8.240 nan 0.000 1.045 241 K N 2.593 123.040 120.400 0.078 0.000 2.187 241 K HA 0.131 4.452 4.320 0.001 0.000 0.242 241 K C 1.113 177.724 176.600 0.018 0.000 1.179 241 K CA -0.600 55.676 56.287 -0.017 0.000 1.097 241 K CB -0.022 32.468 32.500 -0.017 0.000 1.634 241 K HN 0.762 nan 8.250 nan 0.000 0.335 242 W N 1.473 122.818 121.300 0.076 0.000 2.658 242 W HA -0.122 4.539 4.660 0.001 0.000 0.263 242 W C 1.111 177.670 176.519 0.066 0.000 1.274 242 W CA -0.067 57.310 57.345 0.054 0.000 1.343 242 W CB -0.773 28.709 29.460 0.036 0.000 1.106 242 W HN 0.420 nan 8.180 nan 0.000 0.615 243 Y N 3.221 123.152 120.300 -0.616 0.000 2.069 243 Y HA -0.311 4.240 4.550 0.001 0.000 0.278 243 Y C 1.895 177.704 175.900 -0.153 0.000 1.175 243 Y CA 2.685 60.489 58.100 -0.494 0.000 1.134 243 Y CB -0.680 37.416 38.460 -0.608 0.000 0.965 243 Y HN -0.218 nan 8.280 nan 0.000 0.498 244 D N -0.109 120.319 120.400 0.048 0.000 2.392 244 D HA -0.063 4.578 4.640 0.001 0.000 0.228 244 D C 1.604 177.887 176.300 -0.028 0.000 1.003 244 D CA 0.870 54.877 54.000 0.012 0.000 0.917 244 D CB -0.075 40.765 40.800 0.066 0.000 0.890 244 D HN 0.447 nan 8.370 nan 0.000 0.532 245 L N -0.501 120.724 121.223 0.003 0.000 2.609 245 L HA 0.145 4.485 4.340 0.001 0.000 0.230 245 L C 2.133 178.999 176.870 -0.007 0.000 1.087 245 L CA -0.028 54.822 54.840 0.017 0.000 0.874 245 L CB 0.311 42.410 42.059 0.067 0.000 1.114 245 L HN -0.019 nan 8.230 nan 0.000 0.488 246 L N 0.706 121.918 121.223 -0.018 0.000 2.021 246 L HA -0.207 4.134 4.340 0.001 0.000 0.215 246 L C -0.204 176.602 176.870 -0.107 0.000 1.074 246 L CA 1.946 56.755 54.840 -0.052 0.000 0.760 246 L CB -1.816 40.196 42.059 -0.077 0.000 0.889 246 L HN 0.243 nan 8.230 nan 0.000 0.433 247 P HA -0.125 nan 4.420 nan 0.000 0.215 247 P C 1.956 179.202 177.300 -0.090 0.000 1.153 247 P CA 1.137 64.169 63.100 -0.113 0.000 0.853 247 P CB 0.029 31.670 31.700 -0.097 0.000 0.788 248 V N -0.492 119.381 119.914 -0.068 0.000 2.287 248 V HA -0.212 3.909 4.120 0.001 0.000 0.248 248 V C 2.469 178.521 176.094 -0.070 0.000 1.053 248 V CA 1.801 64.068 62.300 -0.056 0.000 1.027 248 V CB -1.379 30.424 31.823 -0.033 0.000 0.646 248 V HN -0.031 nan 8.190 nan 0.000 0.447 249 V N -0.397 119.475 119.914 -0.071 0.000 2.261 249 V HA -0.359 3.761 4.120 0.001 0.000 0.246 249 V C 2.472 178.487 176.094 -0.132 0.000 1.047 249 V CA 2.436 64.686 62.300 -0.084 0.000 1.015 249 V CB -0.708 31.076 31.823 -0.064 0.000 0.642 249 V HN 0.609 nan 8.190 nan 0.000 0.446 250 Q N -0.622 119.082 119.800 -0.159 0.000 2.047 250 Q HA -0.318 4.022 4.340 0.001 0.000 0.211 250 Q C 2.278 178.120 176.000 -0.263 0.000 1.005 250 Q CA 2.715 58.375 55.803 -0.238 0.000 0.866 250 Q CB -0.312 28.285 28.738 -0.237 0.000 0.938 250 Q HN 0.540 nan 8.270 nan 0.000 0.414 251 L N 0.319 121.433 121.223 -0.183 0.000 2.046 251 L HA -0.105 4.235 4.340 0.001 0.000 0.208 251 L C 2.221 179.002 176.870 -0.147 0.000 1.077 251 L CA 2.211 56.959 54.840 -0.152 0.000 0.747 251 L CB -0.805 41.201 42.059 -0.089 0.000 0.896 251 L HN 0.292 nan 8.230 nan 0.000 0.432 252 A N -0.450 122.296 122.820 -0.122 0.000 1.883 252 A HA -0.178 4.142 4.320 0.001 0.000 0.217 252 A C 2.240 179.751 177.584 -0.122 0.000 1.186 252 A CA 2.126 54.104 52.037 -0.099 0.000 0.624 252 A CB -0.922 18.032 19.000 -0.076 0.000 0.822 252 A HN 0.505 nan 8.150 nan 0.000 0.444 253 L N -0.540 120.589 121.223 -0.157 0.000 2.109 253 L HA -0.130 4.211 4.340 0.001 0.000 0.207 253 L C 2.033 178.771 176.870 -0.221 0.000 1.086 253 L CA 0.958 55.694 54.840 -0.173 0.000 0.760 253 L CB -0.663 41.288 42.059 -0.180 0.000 0.910 253 L HN 0.342 nan 8.230 nan 0.000 0.437 254 N N 0.281 118.790 118.700 -0.317 0.000 2.381 254 N HA -0.123 4.617 4.740 0.001 0.000 0.182 254 N C 1.051 176.473 175.510 -0.147 0.000 1.025 254 N CA 0.887 53.707 53.050 -0.383 0.000 0.888 254 N CB -0.207 37.825 38.487 -0.759 0.000 0.965 254 N HN 0.371 nan 8.380 nan 0.000 0.438 255 N N 0.045 118.662 118.700 -0.138 0.000 2.251 255 N HA 0.050 4.790 4.740 0.001 0.000 0.217 255 N C -0.483 174.940 175.510 -0.145 0.000 1.124 255 N CA 0.187 53.163 53.050 -0.124 0.000 0.843 255 N CB 0.698 39.109 38.487 -0.127 0.000 1.024 255 N HN 0.006 nan 8.380 nan 0.000 0.501 256 T N 0.750 115.224 114.554 -0.134 0.000 2.795 256 T HA 0.281 4.631 4.350 0.001 0.000 0.282 256 T C -0.078 174.565 174.700 -0.095 0.000 0.980 256 T CA -0.297 61.751 62.100 -0.086 0.000 1.012 256 T CB 0.843 69.674 68.868 -0.062 0.000 0.936 256 T HN -0.005 nan 8.240 nan 0.000 0.457 257 Y N 1.780 122.059 120.300 -0.035 0.000 2.497 257 Y HA 0.219 4.769 4.550 0.001 0.000 0.334 257 Y C 1.257 177.136 175.900 -0.034 0.000 1.199 257 Y CA 0.225 58.307 58.100 -0.030 0.000 1.425 257 Y CB 0.652 39.075 38.460 -0.061 0.000 1.291 257 Y HN 0.510 nan 8.280 nan 0.000 0.562 258 S N 5.023 120.801 115.700 0.129 0.000 2.410 258 S HA 0.273 4.743 4.470 0.001 0.000 0.304 258 S C -1.842 172.801 174.600 0.071 0.000 1.095 258 S CA -1.657 56.588 58.200 0.075 0.000 1.089 258 S CB 0.769 64.005 63.200 0.061 0.000 0.968 258 S HN 0.411 nan 8.310 nan 0.000 0.480 259 P HA -0.101 nan 4.420 nan 0.000 0.219 259 P C 1.418 178.688 177.300 -0.050 0.000 1.146 259 P CA 0.490 63.574 63.100 -0.027 0.000 0.808 259 P CB 0.171 31.841 31.700 -0.051 0.000 0.779 260 V N -1.105 118.779 119.914 -0.049 0.000 2.591 260 V HA -0.111 4.009 4.120 0.001 0.000 0.249 260 V C 1.902 177.987 176.094 -0.015 0.000 1.053 260 V CA 1.447 63.686 62.300 -0.101 0.000 1.068 260 V CB -0.680 31.036 31.823 -0.179 0.000 0.689 260 V HN 0.006 nan 8.190 nan 0.000 0.462 261 L N -0.719 120.545 121.223 0.069 0.000 2.249 261 L HA 0.178 4.518 4.340 0.001 0.000 0.207 261 L C 1.338 178.286 176.870 0.130 0.000 1.090 261 L CA 0.558 55.504 54.840 0.176 0.000 0.802 261 L CB -0.210 41.988 42.059 0.232 0.000 0.947 261 L HN 0.185 nan 8.230 nan 0.000 0.453 262 K N -0.923 119.486 120.400 0.015 0.000 3.230 262 K HA -0.203 4.117 4.320 0.001 0.000 0.285 262 K C -1.244 175.145 176.600 -0.352 0.000 1.196 262 K CA 0.837 57.026 56.287 -0.164 0.000 0.838 262 K CB -2.303 29.994 32.500 -0.337 0.000 1.262 262 K HN 0.276 nan 8.250 nan 0.000 0.492 263 Y N -0.371 120.086 120.300 0.261 0.000 2.562 263 Y HA 0.309 4.860 4.550 0.000 0.000 0.345 263 Y C 0.850 176.682 175.900 -0.114 0.000 1.045 263 Y CA -0.649 57.509 58.100 0.097 0.000 1.028 263 Y CB 1.649 40.149 38.460 0.067 0.000 1.297 263 Y HN 0.103 nan 8.280 nan 0.000 0.463 264 T N -1.540 112.906 114.554 -0.180 0.000 2.922 264 T HA 0.320 4.671 4.350 0.001 0.000 0.285 264 T C -2.297 172.410 174.700 0.011 0.000 1.005 264 T CA -2.217 59.768 62.100 -0.192 0.000 1.061 264 T CB 1.747 70.417 68.868 -0.331 0.000 1.007 264 T HN 0.297 nan 8.240 nan 0.000 0.502 265 P HA -0.118 nan 4.420 nan 0.000 0.218 265 P C 1.210 178.629 177.300 0.198 0.000 1.148 265 P CA 1.279 64.417 63.100 0.063 0.000 0.822 265 P CB -0.139 31.548 31.700 -0.022 0.000 0.784 266 H N 0.041 119.220 119.070 0.181 0.000 2.293 266 H HA -0.137 4.419 4.556 0.000 0.000 0.300 266 H C 2.037 177.508 175.328 0.238 0.000 1.082 266 H CA 1.904 58.167 56.048 0.360 0.000 1.308 266 H CB -0.425 29.535 29.762 0.330 0.000 1.375 266 H HN 0.048 nan 8.280 nan 0.000 0.495 267 Q N 0.160 120.144 119.800 0.306 0.000 2.112 267 Q HA -0.178 4.162 4.340 0.001 0.000 0.206 267 Q C 2.531 178.543 176.000 0.020 0.000 0.987 267 Q CA 1.948 57.868 55.803 0.195 0.000 0.858 267 Q CB -0.139 28.735 28.738 0.226 0.000 0.905 267 Q HN 0.524 nan 8.270 nan 0.000 0.420 268 L N -0.163 121.045 121.223 -0.025 0.000 2.141 268 L HA -0.170 4.170 4.340 0.001 0.000 0.209 268 L C 2.228 178.976 176.870 -0.204 0.000 1.094 268 L CA 0.359 55.128 54.840 -0.118 0.000 0.763 268 L CB -0.278 41.733 42.059 -0.080 0.000 0.908 268 L HN 0.262 nan 8.230 nan 0.000 0.437 269 L N -1.104 119.920 121.223 -0.331 0.000 2.095 269 L HA -0.034 4.306 4.340 0.001 0.000 0.204 269 L C 1.712 178.155 176.870 -0.712 0.000 1.080 269 L CA 1.872 56.303 54.840 -0.680 0.000 0.759 269 L CB -0.188 41.146 42.059 -1.207 0.000 0.914 269 L HN 0.056 nan 8.230 nan 0.000 0.439 270 F N -1.335 118.458 119.950 -0.262 0.000 2.724 270 F HA 0.404 4.932 4.527 0.000 0.000 0.306 270 F C 1.803 177.544 175.800 -0.097 0.000 1.100 270 F CA 0.308 58.185 58.000 -0.205 0.000 1.255 270 F CB -0.046 38.758 39.000 -0.327 0.000 1.072 270 F HN 0.070 nan 8.300 nan 0.000 0.589 271 G N 2.071 110.917 108.800 0.076 0.000 2.166 271 G HA2 -0.337 3.623 3.960 0.001 0.000 0.260 271 G HA3 -0.337 3.623 3.960 0.001 0.000 0.260 271 G C 0.037 175.013 174.900 0.128 0.000 0.986 271 G CA 0.685 45.828 45.100 0.071 0.000 0.683 271 G HN 0.449 nan 8.290 nan 0.000 0.527 272 I N -0.522 120.162 120.570 0.191 0.000 2.753 272 I HA 0.332 4.503 4.170 0.001 0.000 0.291 272 I C -1.427 174.881 176.117 0.320 0.000 1.425 272 I CA -1.029 60.391 61.300 0.200 0.000 1.039 272 I CB 1.443 39.522 38.000 0.132 0.000 1.349 272 I HN -0.095 nan 8.210 nan 0.000 0.430 273 D N 5.031 125.577 120.400 0.243 0.000 2.414 273 D HA 0.204 4.844 4.640 0.001 0.000 0.242 273 D C 0.305 176.646 176.300 0.068 0.000 1.129 273 D CA 0.397 54.479 54.000 0.136 0.000 0.885 273 D CB 1.407 42.230 40.800 0.038 0.000 1.198 273 D HN 0.582 nan 8.370 nan 0.000 0.437 274 S N 1.891 117.525 115.700 -0.110 0.000 2.632 274 S HA 0.064 4.535 4.470 0.001 0.000 0.267 274 S C 0.589 175.136 174.600 -0.090 0.000 1.193 274 S CA -0.691 57.459 58.200 -0.085 0.000 1.003 274 S CB 0.418 63.560 63.200 -0.096 0.000 1.073 274 S HN 0.349 nan 8.310 nan 0.000 0.553 275 N N 1.621 120.281 118.700 -0.066 0.000 3.193 275 N HA 0.174 4.914 4.740 0.001 0.000 0.312 275 N C -0.305 175.170 175.510 -0.058 0.000 1.261 275 N CA -0.028 52.992 53.050 -0.051 0.000 1.208 275 N CB -0.999 37.465 38.487 -0.038 0.000 1.471 275 N HN 0.735 nan 8.380 nan 0.000 0.548 276 T N -1.485 113.028 114.554 -0.069 0.000 2.950 276 T HA 0.605 4.956 4.350 0.001 0.000 0.288 276 T C -2.630 172.062 174.700 -0.013 0.000 1.035 276 T CA -2.126 59.943 62.100 -0.052 0.000 1.028 276 T CB 1.223 70.039 68.868 -0.086 0.000 1.109 276 T HN -0.005 nan 8.240 nan 0.000 0.514 277 P HA 0.262 nan 4.420 nan 0.000 0.266 277 P C -0.298 177.137 177.300 0.224 0.000 1.195 277 P CA 0.080 63.220 63.100 0.067 0.000 0.768 277 P CB -0.351 31.462 31.700 0.188 0.000 0.838 278 F N -1.189 118.761 119.950 0.000 0.000 3.080 278 F HA -0.233 4.294 4.527 0.000 0.000 0.292 278 F C 0.878 176.698 175.800 0.033 0.000 0.891 278 F CA 0.343 58.354 58.000 0.019 0.000 1.086 278 F CB -2.116 36.903 39.000 0.032 0.000 1.095 278 F HN 0.321 nan 8.300 nan 0.000 0.633 279 A N 1.051 123.932 122.820 0.100 0.000 2.520 279 A HA 0.220 4.540 4.320 0.001 0.000 0.245 279 A C 0.761 178.407 177.584 0.104 0.000 1.072 279 A CA -0.042 52.042 52.037 0.079 0.000 0.761 279 A CB 0.173 19.185 19.000 0.020 0.000 1.004 279 A HN 0.472 nan 8.150 nan 0.000 0.499 280 N N 2.256 121.037 118.700 0.135 0.000 2.468 280 N HA 0.004 4.744 4.740 0.001 0.000 0.265 280 N C 0.235 175.807 175.510 0.104 0.000 1.199 280 N CA 0.200 53.335 53.050 0.142 0.000 0.928 280 N CB 0.596 39.200 38.487 0.195 0.000 1.059 280 N HN 0.708 nan 8.380 nan 0.000 0.467 281 Q N 1.916 121.766 119.800 0.083 0.000 2.219 281 Q HA 0.039 4.380 4.340 0.001 0.000 0.209 281 Q C -0.010 176.027 176.000 0.061 0.000 0.854 281 Q CA -0.285 55.555 55.803 0.061 0.000 0.960 281 Q CB 0.571 29.334 28.738 0.041 0.000 1.116 281 Q HN 0.612 nan 8.270 nan 0.000 0.500 282 D N 1.320 121.765 120.400 0.075 0.000 2.182 282 D HA -0.120 4.520 4.640 0.001 0.000 0.201 282 D C 1.642 177.980 176.300 0.065 0.000 0.986 282 D CA 1.727 55.769 54.000 0.070 0.000 0.847 282 D CB 0.079 40.929 40.800 0.084 0.000 0.942 282 D HN 0.327 nan 8.370 nan 0.000 0.467 283 T N -1.599 112.997 114.554 0.071 0.000 3.206 283 T HA 0.129 4.479 4.350 0.001 0.000 0.253 283 T C 1.650 176.379 174.700 0.049 0.000 1.042 283 T CA -0.341 61.796 62.100 0.062 0.000 0.931 283 T CB -0.012 68.898 68.868 0.071 0.000 1.029 283 T HN -0.136 nan 8.240 nan 0.000 0.564 284 L N 1.961 123.211 121.223 0.044 0.000 2.081 284 L HA -0.056 4.284 4.340 0.001 0.000 0.212 284 L C 1.658 178.545 176.870 0.029 0.000 1.080 284 L CA 1.765 56.625 54.840 0.035 0.000 0.754 284 L CB -0.424 41.653 42.059 0.029 0.000 0.893 284 L HN 0.285 nan 8.230 nan 0.000 0.433 285 D N -1.296 119.121 120.400 0.029 0.000 2.339 285 D HA 0.121 4.761 4.640 0.001 0.000 0.217 285 D C 0.752 177.067 176.300 0.025 0.000 1.050 285 D CA 0.117 54.131 54.000 0.024 0.000 0.856 285 D CB 0.295 41.108 40.800 0.022 0.000 0.922 285 D HN 0.231 nan 8.370 nan 0.000 0.518 286 L N 1.155 122.395 121.223 0.029 0.000 2.418 286 L HA 0.174 4.514 4.340 0.001 0.000 0.265 286 L C 1.318 178.204 176.870 0.027 0.000 1.143 286 L CA -0.394 54.463 54.840 0.029 0.000 0.809 286 L CB 0.918 42.997 42.059 0.034 0.000 1.124 286 L HN -0.048 nan 8.230 nan 0.000 0.456 287 T N -1.476 113.093 114.554 0.024 0.000 2.828 287 T HA 0.093 4.443 4.350 0.001 0.000 0.290 287 T C 1.010 175.726 174.700 0.026 0.000 1.019 287 T CA -0.556 61.557 62.100 0.022 0.000 1.031 287 T CB 1.254 70.133 68.868 0.018 0.000 1.001 287 T HN 0.589 nan 8.240 nan 0.000 0.531 288 R N 0.664 121.180 120.500 0.026 0.000 2.091 288 R HA -0.102 4.238 4.340 0.001 0.000 0.238 288 R C 2.238 178.555 176.300 0.028 0.000 1.136 288 R CA 2.143 58.261 56.100 0.030 0.000 0.959 288 R CB -1.067 29.251 30.300 0.029 0.000 0.856 288 R HN 0.930 nan 8.270 nan 0.000 0.437 289 E N -0.067 120.146 120.200 0.023 0.000 2.072 289 E HA -0.180 4.170 4.350 0.001 0.000 0.191 289 E C 1.767 178.378 176.600 0.019 0.000 0.985 289 E CA 1.473 57.885 56.400 0.019 0.000 0.801 289 E CB 0.010 29.719 29.700 0.016 0.000 0.750 289 E HN 0.506 nan 8.360 nan 0.000 0.452 290 E N 0.406 120.618 120.200 0.020 0.000 2.085 290 E HA -0.237 4.114 4.350 0.001 0.000 0.194 290 E C 2.031 178.646 176.600 0.025 0.000 0.994 290 E CA 1.008 57.421 56.400 0.021 0.000 0.801 290 E CB -0.048 29.665 29.700 0.022 0.000 0.743 290 E HN 0.269 nan 8.360 nan 0.000 0.453 291 E N 0.717 120.935 120.200 0.030 0.000 2.051 291 E HA -0.179 4.171 4.350 0.001 0.000 0.192 291 E C 2.037 178.654 176.600 0.029 0.000 0.991 291 E CA 0.761 57.182 56.400 0.036 0.000 0.799 291 E CB 0.028 29.755 29.700 0.044 0.000 0.748 291 E HN 0.220 nan 8.360 nan 0.000 0.449 292 L N 0.174 121.412 121.223 0.025 0.000 2.275 292 L HA -0.116 4.224 4.340 0.001 0.000 0.215 292 L C 2.582 179.456 176.870 0.007 0.000 1.119 292 L CA 0.597 55.447 54.840 0.016 0.000 0.790 292 L CB -0.247 41.823 42.059 0.019 0.000 0.919 292 L HN 0.144 nan 8.230 nan 0.000 0.443 293 S N 0.337 116.043 115.700 0.010 0.000 2.362 293 S HA -0.126 4.344 4.470 0.001 0.000 0.221 293 S C 1.877 176.480 174.600 0.005 0.000 1.032 293 S CA 0.768 58.972 58.200 0.007 0.000 0.973 293 S CB -0.070 63.136 63.200 0.011 0.000 0.849 293 S HN 0.316 nan 8.310 nan 0.000 0.465 294 L N 1.525 122.755 121.223 0.011 0.000 2.141 294 L HA 0.115 4.456 4.340 0.001 0.000 0.209 294 L C 2.066 178.930 176.870 -0.011 0.000 1.094 294 L CA 1.395 56.243 54.840 0.012 0.000 0.763 294 L CB -0.675 41.402 42.059 0.031 0.000 0.908 294 L HN 0.429 nan 8.230 nan 0.000 0.437 295 L N -0.334 120.877 121.223 -0.019 0.000 1.994 295 L HA -0.255 4.085 4.340 0.001 0.000 0.208 295 L C 2.499 179.331 176.870 -0.063 0.000 1.071 295 L CA 1.926 56.733 54.840 -0.055 0.000 0.745 295 L CB -0.772 41.265 42.059 -0.038 0.000 0.892 295 L HN 0.410 nan 8.230 nan 0.000 0.431 296 Q N -0.867 118.911 119.800 -0.037 0.000 2.152 296 Q HA -0.300 4.040 4.340 0.001 0.000 0.206 296 Q C 2.127 178.107 176.000 -0.034 0.000 0.985 296 Q CA 1.987 57.770 55.803 -0.033 0.000 0.863 296 Q CB -0.199 28.528 28.738 -0.018 0.000 0.904 296 Q HN 0.588 nan 8.270 nan 0.000 0.422 297 E N 0.844 121.028 120.200 -0.027 0.000 2.076 297 E HA -0.102 4.248 4.350 0.001 0.000 0.190 297 E C 1.637 178.220 176.600 -0.028 0.000 0.979 297 E CA 0.817 57.207 56.400 -0.017 0.000 0.807 297 E CB -0.153 29.547 29.700 -0.000 0.000 0.761 297 E HN 0.337 nan 8.360 nan 0.000 0.454 298 I N 0.394 120.926 120.570 -0.064 0.000 2.226 298 I HA -0.266 3.904 4.170 0.001 0.000 0.245 298 I C 2.464 178.504 176.117 -0.128 0.000 1.100 298 I CA 1.243 62.467 61.300 -0.126 0.000 1.374 298 I CB -0.178 37.639 38.000 -0.305 0.000 1.057 298 I HN 0.075 nan 8.210 nan 0.000 0.413 299 R N -0.024 120.404 120.500 -0.120 0.000 2.152 299 R HA -0.150 4.190 4.340 0.001 0.000 0.232 299 R C 2.277 178.551 176.300 -0.044 0.000 1.117 299 R CA 1.954 58.000 56.100 -0.089 0.000 0.981 299 R CB -0.493 29.759 30.300 -0.081 0.000 0.870 299 R HN 0.544 nan 8.270 nan 0.000 0.451 300 T N -2.335 112.201 114.554 -0.031 0.000 3.009 300 T HA -0.036 4.314 4.350 0.001 0.000 0.258 300 T C 1.784 176.484 174.700 -0.000 0.000 1.063 300 T CA 0.820 62.909 62.100 -0.017 0.000 1.139 300 T CB 0.017 68.875 68.868 -0.016 0.000 0.890 300 T HN 0.184 nan 8.240 nan 0.000 0.471 301 S N 1.124 116.833 115.700 0.014 0.000 2.671 301 S HA 0.331 4.802 4.470 0.001 0.000 0.220 301 S C 0.515 175.163 174.600 0.080 0.000 0.951 301 S CA -0.678 57.548 58.200 0.043 0.000 0.932 301 S CB -1.033 62.198 63.200 0.052 0.000 0.777 301 S HN 0.489 nan 8.310 nan 0.000 0.508 302 L N 2.380 123.649 121.223 0.076 0.000 2.426 302 L HA 0.243 4.584 4.340 0.001 0.000 0.271 302 L C 0.560 177.529 176.870 0.165 0.000 1.169 302 L CA -0.884 54.037 54.840 0.134 0.000 0.836 302 L CB 0.113 42.236 42.059 0.108 0.000 1.112 302 L HN 0.369 nan 8.230 nan 0.000 0.465 303 Y N 4.038 124.393 120.300 0.091 0.000 2.805 303 Y HA -0.110 4.441 4.550 0.000 0.000 0.331 303 Y C -0.038 175.928 175.900 0.111 0.000 1.241 303 Y CA 0.417 58.567 58.100 0.082 0.000 1.546 303 Y CB -0.179 38.312 38.460 0.053 0.000 1.248 303 Y HN 0.402 nan 8.280 nan 0.000 0.559 304 H N 8.894 127.534 119.070 -0.717 0.000 2.539 304 H HA 0.358 4.914 4.556 0.000 0.000 0.332 304 H C -2.491 172.270 175.328 -0.944 0.000 1.031 304 H CA -2.276 53.355 56.048 -0.694 0.000 1.206 304 H CB 1.782 31.366 29.762 -0.296 0.000 1.446 304 H HN 0.598 nan 8.280 nan 0.000 0.496 305 P HA 0.052 nan 4.420 nan 0.000 0.274 305 P C -0.666 176.406 177.300 -0.380 0.000 1.231 305 P CA -0.413 62.315 63.100 -0.621 0.000 0.790 305 P CB 1.235 32.738 31.700 -0.329 0.000 0.951 306 S N -0.342 115.272 115.700 -0.143 0.000 2.593 306 S HA 0.283 4.753 4.470 0.001 0.000 0.297 306 S C 0.112 174.692 174.600 -0.033 0.000 1.112 306 S CA -0.704 57.465 58.200 -0.053 0.000 1.043 306 S CB 0.738 63.934 63.200 -0.007 0.000 1.054 306 S HN 0.499 nan 8.310 nan 0.000 0.516 307 T N 4.266 118.813 114.554 -0.012 0.000 2.718 307 T HA 0.115 4.466 4.350 0.001 0.000 0.265 307 T C -1.798 172.901 174.700 -0.002 0.000 1.014 307 T CA -0.447 61.650 62.100 -0.005 0.000 1.172 307 T CB -0.562 68.308 68.868 0.003 0.000 1.007 307 T HN 0.632 nan 8.240 nan 0.000 0.500 308 P HA 0.362 nan 4.420 nan 0.000 0.275 308 P C -2.703 174.600 177.300 0.004 0.000 1.266 308 P CA -1.593 61.510 63.100 0.004 0.000 0.793 308 P CB -0.527 31.176 31.700 0.004 0.000 1.074 309 P HA 0.173 nan 4.420 nan 0.000 0.271 309 P C -0.324 176.980 177.300 0.007 0.000 1.216 309 P CA -0.032 63.072 63.100 0.008 0.000 0.776 309 P CB 0.061 31.768 31.700 0.010 0.000 0.881 310 A N 2.994 125.817 122.820 0.005 0.000 2.520 310 A HA 0.347 4.667 4.320 0.001 0.000 0.235 310 A C 0.797 178.390 177.584 0.015 0.000 1.065 310 A CA 0.057 52.097 52.037 0.006 0.000 0.764 310 A CB -0.500 18.501 19.000 0.003 0.000 1.002 310 A HN 0.639 nan 8.150 nan 0.000 0.502 311 S N 1.216 116.929 115.700 0.022 0.000 2.614 311 S HA 0.272 4.743 4.470 0.001 0.000 0.265 311 S C 1.233 175.853 174.600 0.033 0.000 1.303 311 S CA -0.022 58.195 58.200 0.029 0.000 1.000 311 S CB 0.976 64.198 63.200 0.037 0.000 0.935 311 S HN 1.468 nan 8.310 nan 0.000 0.551 312 S N 1.031 116.750 115.700 0.032 0.000 2.442 312 S HA -0.068 4.402 4.470 0.001 0.000 0.236 312 S C 0.869 175.493 174.600 0.039 0.000 1.007 312 S CA 0.526 58.745 58.200 0.031 0.000 0.965 312 S CB -0.538 62.678 63.200 0.026 0.000 0.773 312 S HN 0.782 nan 8.310 nan 0.000 0.504 313 R N 1.970 122.500 120.500 0.050 0.000 2.886 313 R HA 0.308 4.648 4.340 0.001 0.000 0.306 313 R C -0.653 175.707 176.300 0.100 0.000 1.300 313 R CA -0.094 56.044 56.100 0.063 0.000 1.441 313 R CB 1.010 31.340 30.300 0.051 0.000 1.328 313 R HN 0.474 nan 8.270 nan 0.000 0.629 314 S N 0.198 115.958 115.700 0.100 0.000 2.687 314 S HA 0.567 5.038 4.470 0.001 0.000 0.283 314 S C -0.196 174.527 174.600 0.205 0.000 1.170 314 S CA -0.847 57.433 58.200 0.133 0.000 1.008 314 S CB 1.340 64.565 63.200 0.042 0.000 1.026 314 S HN 0.473 nan 8.310 nan 0.000 0.541 315 W N -0.394 120.907 121.300 0.001 0.000 2.864 315 W HA 0.774 5.434 4.660 0.000 0.000 0.343 315 W C -1.474 175.047 176.519 0.003 0.000 1.109 315 W CA -1.124 56.218 57.345 -0.005 0.000 1.192 315 W CB 0.873 30.322 29.460 -0.019 0.000 1.426 315 W HN 0.559 nan 8.180 nan 0.000 0.529 316 S N 3.385 119.061 115.700 -0.040 0.000 2.521 316 S HA 0.561 5.032 4.470 0.001 0.000 0.295 316 S C -2.384 172.185 174.600 -0.052 0.000 1.098 316 S CA -1.004 57.047 58.200 -0.248 0.000 0.999 316 S CB 2.226 65.349 63.200 -0.128 0.000 1.034 316 S HN 0.252 nan 8.310 nan 0.000 0.483 317 P HA 0.355 nan 4.420 nan 0.000 0.275 317 P C -1.179 176.171 177.300 0.083 0.000 1.228 317 P CA -0.310 62.845 63.100 0.091 0.000 0.786 317 P CB 0.661 32.366 31.700 0.008 0.000 0.927 318 V N 3.294 123.283 119.914 0.124 0.000 2.709 318 V HA 0.129 4.250 4.120 0.001 0.000 0.308 318 V C 0.201 176.339 176.094 0.073 0.000 1.062 318 V CA -1.000 61.348 62.300 0.080 0.000 0.901 318 V CB 2.433 34.302 31.823 0.077 0.000 1.003 318 V HN 0.308 nan 8.190 nan 0.000 0.425 319 V N 4.591 124.536 119.914 0.052 0.000 2.644 319 V HA 0.362 4.482 4.120 0.001 0.000 0.305 319 V C 1.539 177.659 176.094 0.043 0.000 1.053 319 V CA 1.739 64.067 62.300 0.046 0.000 1.186 319 V CB -0.034 31.810 31.823 0.034 0.000 0.895 319 V HN 1.389 nan 8.190 nan 0.000 0.490 320 G N 2.941 111.767 108.800 0.043 0.000 2.241 320 G HA2 -0.281 3.679 3.960 0.001 0.000 0.244 320 G HA3 -0.281 3.679 3.960 0.001 0.000 0.244 320 G C 0.365 175.285 174.900 0.034 0.000 0.998 320 G CA 0.348 45.469 45.100 0.035 0.000 0.621 320 G HN 0.815 nan 8.290 nan 0.000 0.519 321 Q N 0.692 120.520 119.800 0.046 0.000 2.304 321 Q HA 0.373 4.713 4.340 0.001 0.000 0.301 321 Q C 0.578 176.591 176.000 0.020 0.000 1.063 321 Q CA 0.010 55.836 55.803 0.038 0.000 0.947 321 Q CB 0.160 28.946 28.738 0.081 0.000 1.201 321 Q HN 0.463 nan 8.270 nan 0.000 0.389 322 L N 5.404 126.618 121.223 -0.015 0.000 2.360 322 L HA 0.315 4.656 4.340 0.001 0.000 0.276 322 L C -0.182 176.640 176.870 -0.079 0.000 1.121 322 L CA -0.418 54.401 54.840 -0.035 0.000 0.845 322 L CB 0.458 42.486 42.059 -0.052 0.000 1.143 322 L HN 0.520 nan 8.230 nan 0.000 0.452 323 V N 1.352 121.234 119.914 -0.054 0.000 3.114 323 V HA 0.583 4.703 4.120 0.001 0.000 0.308 323 V C -1.025 175.047 176.094 -0.037 0.000 1.168 323 V CA -0.898 61.347 62.300 -0.092 0.000 1.015 323 V CB 2.215 34.050 31.823 0.020 0.000 1.050 323 V HN 0.773 nan 8.190 nan 0.000 0.433 324 Q N 0.937 120.704 119.800 -0.056 0.000 2.356 324 Q HA 0.502 4.842 4.340 0.001 0.000 0.270 324 Q C -1.010 175.173 176.000 0.305 0.000 1.058 324 Q CA -0.456 55.398 55.803 0.085 0.000 0.802 324 Q CB 3.051 31.784 28.738 -0.008 0.000 1.303 324 Q HN 0.893 nan 8.270 nan 0.000 0.444 325 E N 2.076 122.506 120.200 0.383 0.000 2.331 325 E HA 0.136 4.487 4.350 0.001 0.000 0.272 325 E C -0.631 176.260 176.600 0.484 0.000 1.036 325 E CA -0.466 56.196 56.400 0.436 0.000 0.864 325 E CB 0.966 30.882 29.700 0.360 0.000 1.035 325 E HN 0.353 nan 8.360 nan 0.000 0.408 326 R N 3.097 123.744 120.500 0.245 0.000 2.489 326 R HA 0.085 4.426 4.340 0.001 0.000 0.287 326 R C -0.759 175.355 176.300 -0.309 0.000 1.053 326 R CA -0.447 55.432 56.100 -0.369 0.000 1.036 326 R CB 0.573 30.575 30.300 -0.497 0.000 0.966 326 R HN 0.318 nan 8.270 nan 0.000 0.432 327 V N 5.298 124.873 119.914 -0.565 0.000 2.585 327 V HA -0.015 4.106 4.120 0.001 0.000 0.296 327 V C 1.361 177.215 176.094 -0.399 0.000 1.035 327 V CA 0.727 62.693 62.300 -0.556 0.000 1.084 327 V CB 0.906 32.386 31.823 -0.572 0.000 0.953 327 V HN 1.072 nan 8.190 nan 0.000 0.483 328 A N 5.147 127.758 122.820 -0.349 0.000 1.832 328 A HA 0.103 4.423 4.320 0.001 0.000 0.214 328 A C 1.774 179.113 177.584 -0.407 0.000 1.204 328 A CA 1.564 53.255 52.037 -0.578 0.000 0.606 328 A CB -0.260 18.148 19.000 -0.985 0.000 0.849 328 A HN 1.016 nan 8.150 nan 0.000 0.445 329 R N 1.151 121.492 120.500 -0.265 0.000 3.057 329 R HA 0.508 4.849 4.340 0.001 0.000 0.291 329 R C -2.660 173.561 176.300 -0.131 0.000 1.394 329 R CA -1.300 54.701 56.100 -0.165 0.000 1.630 329 R CB -1.194 29.051 30.300 -0.093 0.000 1.268 329 R HN 0.595 nan 8.270 nan 0.000 0.621 330 P HA 0.313 nan 4.420 nan 0.000 0.271 330 P C -0.002 177.241 177.300 -0.095 0.000 1.226 330 P CA 0.008 63.022 63.100 -0.144 0.000 0.765 330 P CB 1.462 33.052 31.700 -0.184 0.000 0.835 331 A N 3.406 126.184 122.820 -0.071 0.000 2.448 331 A HA 0.168 4.488 4.320 0.001 0.000 0.239 331 A C 0.832 178.387 177.584 -0.048 0.000 1.080 331 A CA -0.151 51.857 52.037 -0.049 0.000 0.779 331 A CB -0.319 18.661 19.000 -0.034 0.000 1.026 331 A HN 0.599 nan 8.150 nan 0.000 0.499 332 S N -0.011 115.667 115.700 -0.036 0.000 2.546 332 S HA 0.216 4.687 4.470 0.001 0.000 0.290 332 S C 0.824 175.406 174.600 -0.030 0.000 1.290 332 S CA 0.504 58.685 58.200 -0.032 0.000 1.069 332 S CB -0.812 62.374 63.200 -0.023 0.000 0.846 332 S HN 1.168 nan 8.310 nan 0.000 0.495 333 L N 1.875 123.080 121.223 -0.030 0.000 4.232 333 L HA -0.211 4.129 4.340 0.001 0.000 0.415 333 L C 0.204 177.056 176.870 -0.031 0.000 1.168 333 L CA 0.486 55.310 54.840 -0.027 0.000 0.966 333 L CB -1.244 40.804 42.059 -0.019 0.000 2.052 333 L HN 0.592 nan 8.230 nan 0.000 0.887 334 R N -0.290 120.185 120.500 -0.042 0.000 2.778 334 R HA 0.620 4.961 4.340 0.001 0.000 0.277 334 R C -2.176 174.086 176.300 -0.062 0.000 0.977 334 R CA -2.123 53.950 56.100 -0.047 0.000 0.950 334 R CB 0.689 30.960 30.300 -0.049 0.000 1.165 334 R HN -0.243 nan 8.270 nan 0.000 0.474 335 P HA 0.150 nan 4.420 nan 0.000 0.267 335 P C 0.344 177.564 177.300 -0.135 0.000 1.200 335 P CA -0.141 62.927 63.100 -0.052 0.000 0.772 335 P CB 0.680 32.369 31.700 -0.019 0.000 0.855 336 R N 0.488 120.887 120.500 -0.167 0.000 2.280 336 R HA 0.185 4.526 4.340 0.001 0.000 0.195 336 R C -0.424 175.438 176.300 -0.729 0.000 0.935 336 R CA 0.233 56.070 56.100 -0.438 0.000 1.033 336 R CB -0.152 29.877 30.300 -0.451 0.000 0.964 336 R HN 0.548 nan 8.270 nan 0.000 0.489 337 W N -0.283 120.926 121.300 -0.152 0.000 2.761 337 W HA 0.396 5.057 4.660 0.001 0.000 0.340 337 W C 0.461 176.867 176.519 -0.188 0.000 1.072 337 W CA -0.845 56.408 57.345 -0.154 0.000 1.215 337 W CB 0.681 30.095 29.460 -0.077 0.000 1.420 337 W HN -0.062 nan 8.180 nan 0.000 0.519 338 H N 1.106 120.307 119.070 0.218 0.000 2.597 338 H HA 0.238 4.794 4.556 0.000 0.000 0.370 338 H C 0.066 175.443 175.328 0.081 0.000 1.281 338 H CA -0.203 55.917 56.048 0.119 0.000 1.422 338 H CB 0.719 30.549 29.762 0.114 0.000 1.524 338 H HN 0.158 nan 8.280 nan 0.000 0.607 339 K N 1.357 121.836 120.400 0.132 0.000 2.276 339 K HA 0.112 4.432 4.320 0.001 0.000 0.259 339 K C -2.192 174.396 176.600 -0.019 0.000 1.001 339 K CA -1.213 55.050 56.287 -0.040 0.000 0.927 339 K CB -0.264 32.063 32.500 -0.288 0.000 0.969 339 K HN 0.336 nan 8.250 nan 0.000 0.490 340 P HA -0.063 nan 4.420 nan 0.000 0.266 340 P C -0.931 176.371 177.300 0.002 0.000 1.193 340 P CA 0.195 63.279 63.100 -0.026 0.000 0.770 340 P CB 0.765 32.437 31.700 -0.047 0.000 0.836 341 S N 0.152 115.871 115.700 0.031 0.000 2.671 341 S HA 0.715 5.185 4.470 0.001 0.000 0.277 341 S C -0.964 173.666 174.600 0.050 0.000 1.165 341 S CA -0.726 57.510 58.200 0.060 0.000 0.822 341 S CB 1.180 64.435 63.200 0.091 0.000 1.150 341 S HN 0.260 nan 8.310 nan 0.000 0.479 342 T N 1.331 115.919 114.554 0.056 0.000 2.823 342 T HA 0.518 4.869 4.350 0.001 0.000 0.279 342 T C -0.353 174.384 174.700 0.060 0.000 0.998 342 T CA -0.587 61.543 62.100 0.049 0.000 0.994 342 T CB 1.381 70.274 68.868 0.041 0.000 0.960 342 T HN 0.592 nan 8.240 nan 0.000 0.448 343 V N 5.072 125.026 119.914 0.067 0.000 2.403 343 V HA 0.066 4.186 4.120 0.001 0.000 0.265 343 V C 1.363 177.491 176.094 0.057 0.000 1.034 343 V CA 0.254 62.599 62.300 0.075 0.000 1.036 343 V CB -0.491 31.390 31.823 0.095 0.000 1.032 343 V HN 0.828 nan 8.190 nan 0.000 0.478 344 L N 3.482 124.736 121.223 0.052 0.000 2.034 344 L HA 0.136 4.477 4.340 0.001 0.000 0.203 344 L C 1.251 178.144 176.870 0.038 0.000 1.074 344 L CA 1.245 56.110 54.840 0.041 0.000 0.748 344 L CB 0.016 42.097 42.059 0.038 0.000 0.905 344 L HN 0.512 nan 8.230 nan 0.000 0.439 345 K N -0.502 119.922 120.400 0.040 0.000 2.464 345 K HA 0.397 4.717 4.320 0.001 0.000 0.253 345 K C -1.369 175.252 176.600 0.036 0.000 0.933 345 K CA -0.536 55.772 56.287 0.034 0.000 0.801 345 K CB 2.526 35.044 32.500 0.031 0.000 1.271 345 K HN -0.300 nan 8.250 nan 0.000 0.430 346 V N 6.826 126.757 119.914 0.029 0.000 2.247 346 V HA 0.116 4.236 4.120 0.001 0.000 0.262 346 V C 1.286 177.390 176.094 0.016 0.000 1.096 346 V CA -0.302 62.011 62.300 0.021 0.000 0.895 346 V CB 0.382 32.214 31.823 0.015 0.000 1.141 346 V HN 0.843 nan 8.190 nan 0.000 0.478 347 L N 2.824 124.059 121.223 0.020 0.000 2.042 347 L HA -0.082 4.258 4.340 0.001 0.000 0.210 347 L C 1.030 177.910 176.870 0.016 0.000 1.076 347 L CA 1.462 56.315 54.840 0.023 0.000 0.749 347 L CB -0.261 41.818 42.059 0.033 0.000 0.893 347 L HN 0.906 nan 8.230 nan 0.000 0.432 348 N N -3.819 114.885 118.700 0.007 0.000 3.106 348 N HA 0.227 4.967 4.740 0.001 0.000 0.253 348 N C -2.589 172.905 175.510 -0.026 0.000 1.506 348 N CA -1.485 51.564 53.050 -0.003 0.000 0.876 348 N CB 0.359 38.851 38.487 0.008 0.000 1.452 348 N HN -0.399 nan 8.380 nan 0.000 0.542 349 P HA 0.071 nan 4.420 nan 0.000 0.234 349 P C 0.122 177.350 177.300 -0.119 0.000 1.167 349 P CA 0.848 63.904 63.100 -0.074 0.000 0.763 349 P CB 0.209 31.870 31.700 -0.065 0.000 0.835 350 R N -1.794 118.655 120.500 -0.085 0.000 2.535 350 R HA 0.270 4.610 4.340 0.001 0.000 0.323 350 R C -0.199 176.052 176.300 -0.082 0.000 0.979 350 R CA 0.356 56.395 56.100 -0.102 0.000 1.120 350 R CB 0.637 30.904 30.300 -0.055 0.000 1.306 350 R HN 0.115 nan 8.270 nan 0.000 0.540 351 T N 0.894 115.418 114.554 -0.050 0.000 2.971 351 T HA 0.434 4.784 4.350 0.001 0.000 0.304 351 T C -0.493 174.208 174.700 0.003 0.000 1.038 351 T CA -0.686 61.404 62.100 -0.017 0.000 1.007 351 T CB 2.499 71.376 68.868 0.015 0.000 1.055 351 T HN 0.015 nan 8.240 nan 0.000 0.451 352 V N -0.160 119.769 119.914 0.024 0.000 3.130 352 V HA 0.938 5.058 4.120 0.001 0.000 0.310 352 V C -1.088 175.040 176.094 0.056 0.000 1.158 352 V CA -1.005 61.321 62.300 0.044 0.000 1.029 352 V CB 1.987 33.848 31.823 0.063 0.000 1.057 352 V HN 0.656 nan 8.190 nan 0.000 0.436 353 V N 4.097 124.044 119.914 0.055 0.000 2.398 353 V HA 0.591 4.711 4.120 0.001 0.000 0.286 353 V C 0.107 176.238 176.094 0.061 0.000 1.026 353 V CA -0.226 62.107 62.300 0.056 0.000 0.868 353 V CB 1.007 32.858 31.823 0.046 0.000 0.982 353 V HN 0.951 nan 8.190 nan 0.000 0.443 354 I N 2.847 123.457 120.570 0.066 0.000 2.797 354 I HA 0.741 4.911 4.170 0.001 0.000 0.307 354 I C -0.884 175.266 176.117 0.056 0.000 1.033 354 I CA -1.174 60.168 61.300 0.069 0.000 1.071 354 I CB 2.001 40.054 38.000 0.089 0.000 1.255 354 I HN 0.478 nan 8.210 nan 0.000 0.445 355 L N 4.166 125.421 121.223 0.054 0.000 2.262 355 L HA 0.417 4.758 4.340 0.001 0.000 0.288 355 L C -0.092 176.814 176.870 0.060 0.000 1.035 355 L CA 0.050 54.917 54.840 0.045 0.000 0.820 355 L CB 0.688 42.770 42.059 0.039 0.000 1.204 355 L HN 0.762 nan 8.230 nan 0.000 0.424 356 D N 3.531 123.961 120.400 0.050 0.000 2.676 356 D HA 0.024 4.664 4.640 0.001 0.000 0.239 356 D C 1.201 177.592 176.300 0.152 0.000 1.213 356 D CA 0.604 54.654 54.000 0.083 0.000 0.835 356 D CB -0.434 40.385 40.800 0.031 0.000 1.009 356 D HN 0.855 nan 8.370 nan 0.000 0.479 357 H N -0.837 118.233 119.070 0.001 0.000 4.210 357 H HA -0.278 4.278 4.556 0.001 0.000 0.165 357 H C 0.150 175.477 175.328 -0.001 0.000 0.866 357 H CA 1.629 57.679 56.048 0.003 0.000 1.239 357 H CB -1.577 28.191 29.762 0.010 0.000 0.978 357 H HN 0.423 nan 8.280 nan 0.000 0.391 358 L N 0.877 121.868 121.223 -0.387 0.000 2.072 358 L HA 0.191 4.532 4.340 0.001 0.000 0.205 358 L C 1.791 178.566 176.870 -0.158 0.000 1.079 358 L CA 1.302 55.939 54.840 -0.338 0.000 0.752 358 L CB 0.026 41.941 42.059 -0.241 0.000 0.906 358 L HN 0.486 nan 8.230 nan 0.000 0.436 359 G N -0.496 108.250 108.800 -0.090 0.000 2.544 359 G HA2 0.454 4.415 3.960 0.001 0.000 0.313 359 G HA3 0.454 4.415 3.960 0.001 0.000 0.313 359 G C -1.165 173.712 174.900 -0.037 0.000 1.316 359 G CA -0.483 44.578 45.100 -0.065 0.000 0.944 359 G HN -0.057 nan 8.290 nan 0.000 0.489 360 N N 0.940 119.620 118.700 -0.034 0.000 2.466 360 N HA 0.301 5.041 4.740 0.001 0.000 0.294 360 N C -0.364 175.147 175.510 0.002 0.000 1.129 360 N CA -0.827 52.213 53.050 -0.017 0.000 0.931 360 N CB 0.959 39.432 38.487 -0.022 0.000 1.193 360 N HN 0.333 nan 8.380 nan 0.000 0.500 361 N N 0.826 119.531 118.700 0.008 0.000 2.470 361 N HA 0.219 4.959 4.740 0.001 0.000 0.268 361 N C -0.459 175.065 175.510 0.024 0.000 1.136 361 N CA 0.171 53.233 53.050 0.020 0.000 0.961 361 N CB 0.582 39.082 38.487 0.021 0.000 1.067 361 N HN 0.259 nan 8.380 nan 0.000 0.468 362 R N 0.728 121.250 120.500 0.036 0.000 2.621 362 R HA 0.447 4.787 4.340 0.001 0.000 0.292 362 R C -0.792 175.542 176.300 0.057 0.000 0.969 362 R CA -0.706 55.420 56.100 0.045 0.000 0.887 362 R CB 1.692 32.022 30.300 0.051 0.000 1.180 362 R HN 0.398 nan 8.270 nan 0.000 0.450 363 T N 2.104 116.693 114.554 0.059 0.000 2.767 363 T HA 0.456 4.806 4.350 0.001 0.000 0.288 363 T C -0.572 174.173 174.700 0.075 0.000 0.963 363 T CA -0.429 61.710 62.100 0.065 0.000 1.019 363 T CB 1.294 70.203 68.868 0.067 0.000 0.923 363 T HN 0.121 nan 8.240 nan 0.000 0.468 364 V N 2.115 122.072 119.914 0.071 0.000 2.932 364 V HA 0.516 4.636 4.120 0.001 0.000 0.307 364 V C -0.101 176.011 176.094 0.030 0.000 1.147 364 V CA -0.918 61.429 62.300 0.077 0.000 0.951 364 V CB 2.564 34.453 31.823 0.110 0.000 1.031 364 V HN 0.910 nan 8.190 nan 0.000 0.426 365 S N 3.082 118.762 115.700 -0.033 0.000 2.580 365 S HA 0.331 4.801 4.470 0.001 0.000 0.274 365 S C 1.312 175.879 174.600 -0.055 0.000 1.329 365 S CA -0.116 57.973 58.200 -0.185 0.000 1.036 365 S CB 0.717 63.523 63.200 -0.658 0.000 0.919 365 S HN 0.727 nan 8.310 nan 0.000 0.515 366 I N 0.802 121.330 120.570 -0.070 0.000 2.756 366 I HA 0.013 4.183 4.170 0.001 0.000 0.262 366 I C 0.989 177.202 176.117 0.160 0.000 1.225 366 I CA 1.098 62.410 61.300 0.020 0.000 1.472 366 I CB -0.297 37.543 38.000 -0.266 0.000 1.094 366 I HN 0.407 nan 8.210 nan 0.000 0.454 367 D N 1.930 122.384 120.400 0.090 0.000 2.264 367 D HA -0.097 4.543 4.640 0.001 0.000 0.208 367 D C 1.009 177.470 176.300 0.267 0.000 0.966 367 D CA 0.899 55.024 54.000 0.207 0.000 0.864 367 D CB -0.261 40.703 40.800 0.274 0.000 0.933 367 D HN 0.479 nan 8.370 nan 0.000 0.499 368 N N 0.172 119.012 118.700 0.233 0.000 2.320 368 N HA 0.160 4.900 4.740 0.001 0.000 0.237 368 N C -0.295 175.455 175.510 0.399 0.000 1.129 368 N CA 0.059 53.268 53.050 0.266 0.000 0.854 368 N CB 1.109 39.717 38.487 0.202 0.000 1.083 368 N HN 0.192 nan 8.380 nan 0.000 0.504 369 L N 0.496 122.009 121.223 0.484 0.000 2.409 369 L HA 0.479 4.819 4.340 0.001 0.000 0.262 369 L C -0.482 176.586 176.870 0.330 0.000 0.992 369 L CA -0.974 54.156 54.840 0.484 0.000 0.817 369 L CB 2.419 44.768 42.059 0.483 0.000 1.350 369 L HN -0.006 nan 8.230 nan 0.000 0.411 370 K N 1.337 121.627 120.400 -0.185 0.000 2.375 370 K HA 0.675 4.995 4.320 0.001 0.000 0.249 370 K C -2.903 173.213 176.600 -0.807 0.000 0.942 370 K CA -1.950 53.940 56.287 -0.663 0.000 0.806 370 K CB 2.016 33.894 32.500 -1.037 0.000 1.227 370 K HN 0.094 nan 8.250 nan 0.000 0.430 371 P HA 0.037 nan 4.420 nan 0.000 0.282 371 P C -0.656 176.309 177.300 -0.558 0.000 1.262 371 P CA -0.205 62.383 63.100 -0.854 0.000 0.773 371 P CB 0.770 31.899 31.700 -0.952 0.000 0.879 372 T N 2.617 116.939 114.554 -0.386 0.000 2.871 372 T HA 0.065 4.415 4.350 0.001 0.000 0.296 372 T C 0.807 175.320 174.700 -0.312 0.000 0.998 372 T CA 0.483 62.398 62.100 -0.308 0.000 1.162 372 T CB -0.278 68.475 68.868 -0.192 0.000 0.947 372 T HN 0.298 nan 8.240 nan 0.000 0.536 373 S N 2.848 118.327 115.700 -0.369 0.000 2.603 373 S HA 0.151 4.621 4.470 0.001 0.000 0.268 373 S C 0.647 174.974 174.600 -0.456 0.000 1.317 373 S CA -0.704 57.166 58.200 -0.550 0.000 1.012 373 S CB 0.136 62.825 63.200 -0.852 0.000 0.926 373 S HN 0.965 nan 8.310 nan 0.000 0.539 374 H N 0.582 119.591 119.070 -0.100 0.000 2.899 374 H HA -0.160 4.396 4.556 0.001 0.000 0.282 374 H C 0.258 175.543 175.328 -0.071 0.000 1.198 374 H CA 0.922 56.923 56.048 -0.078 0.000 1.140 374 H CB -2.416 27.299 29.762 -0.078 0.000 1.317 374 H HN 0.827 nan 8.280 nan 0.000 0.375 375 Q N 0.000 119.783 119.800 -0.028 0.000 2.315 375 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 375 Q CA 0.000 55.784 55.803 -0.031 0.000 1.022 375 Q CB 0.000 28.731 28.738 -0.011 0.000 1.108 375 Q HN 0.000 nan 8.270 nan 0.000 0.481