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 1sbb_1_C DATA FIRST_RESID 3 DATA SEQUENCE AVTQSPRNKV AVTGGKVTLS cQQTNNHNNM YWYRQDTGHG LRLIHYSYGA DATA SEQUENCE GSTEKGDIPD GXYKASRPSQ EQFSLILELA TPSQTSVYFc ASGGGRGSYA DATA SEQUENCE XXEQFFGPGT RLTVEDLRQV TPPKVSLFEP SKAEIANKQK ATLVcLARGF DATA SEQUENCE FPDHVELSWW VNGKEVHSGV STDPQAYKES XXXNYXSYCL SSRLRVSATF DATA SEQUENCE WHNPRNHFRc QVQFHGLSEE DKWPEGSPKP VTQNISAEAW GRADXXXL 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.559 177.584 -0.042 0.000 1.274 3 A CA 0.000 52.001 52.037 -0.061 0.000 0.836 3 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 4 V N 2.385 122.307 119.914 0.015 0.000 2.349 4 V HA 0.558 4.677 4.120 -0.002 0.000 0.284 4 V C -0.033 176.083 176.094 0.036 0.000 1.014 4 V CA -0.223 62.093 62.300 0.026 0.000 0.826 4 V CB 1.369 33.234 31.823 0.071 0.000 1.009 4 V HN 0.944 nan 8.190 nan 0.000 0.431 5 T N 5.162 119.730 114.554 0.022 0.000 2.867 5 T HA 0.540 4.889 4.350 -0.002 0.000 0.282 5 T C -0.391 174.333 174.700 0.040 0.000 1.000 5 T CA -0.511 61.609 62.100 0.033 0.000 1.042 5 T CB 1.468 70.353 68.868 0.029 0.000 0.973 5 T HN 0.637 nan 8.240 nan 0.000 0.465 6 Q N 1.207 121.041 119.800 0.056 0.000 2.342 6 Q HA 0.657 4.995 4.340 -0.002 0.000 0.267 6 Q C -1.041 175.016 176.000 0.094 0.000 1.038 6 Q CA -0.827 55.037 55.803 0.102 0.000 0.832 6 Q CB 2.094 30.903 28.738 0.118 0.000 1.323 6 Q HN 0.579 nan 8.270 nan 0.000 0.448 7 S N 2.942 118.715 115.700 0.122 0.000 2.672 7 S HA 0.514 4.983 4.470 -0.002 0.000 0.291 7 S C -2.490 172.145 174.600 0.058 0.000 1.145 7 S CA -0.974 57.269 58.200 0.072 0.000 1.013 7 S CB 1.708 64.943 63.200 0.059 0.000 1.017 7 S HN 0.453 nan 8.310 nan 0.000 0.487 8 P HA 0.455 nan 4.420 nan 0.000 0.284 8 P C 0.079 177.384 177.300 0.009 0.000 1.292 8 P CA -0.607 62.503 63.100 0.017 0.000 0.800 8 P CB 1.059 32.762 31.700 0.006 0.000 1.188 9 R N -0.683 119.802 120.500 -0.025 0.000 2.140 9 R HA 0.254 4.592 4.340 -0.002 0.000 0.213 9 R C 0.523 176.749 176.300 -0.123 0.000 1.059 9 R CA 0.752 56.807 56.100 -0.074 0.000 1.000 9 R CB -0.365 29.872 30.300 -0.104 0.000 0.910 9 R HN 0.562 nan 8.270 nan 0.000 0.455 10 N N 0.540 119.186 118.700 -0.090 0.000 2.277 10 N HA 0.245 4.984 4.740 -0.002 0.000 0.286 10 N C -1.405 174.132 175.510 0.045 0.000 1.140 10 N CA -0.577 52.445 53.050 -0.047 0.000 0.799 10 N CB 2.889 41.333 38.487 -0.071 0.000 1.596 10 N HN -0.230 nan 8.380 nan 0.000 0.473 11 K N 0.647 121.126 120.400 0.131 0.000 2.570 11 K HA 0.364 4.682 4.320 -0.002 0.000 0.256 11 K C -2.212 174.459 176.600 0.119 0.000 0.939 11 K CA -0.634 55.707 56.287 0.090 0.000 0.833 11 K CB 1.525 34.054 32.500 0.047 0.000 1.318 11 K HN 0.242 nan 8.250 nan 0.000 0.433 12 V N 3.183 123.120 119.914 0.039 0.000 2.487 12 V HA 0.981 5.100 4.120 -0.002 0.000 0.298 12 V C -1.310 174.810 176.094 0.045 0.000 1.028 12 V CA 0.208 62.513 62.300 0.008 0.000 0.860 12 V CB 1.064 32.833 31.823 -0.091 0.000 0.991 12 V HN 0.988 nan 8.190 nan 0.000 0.427 13 A N 5.389 128.244 122.820 0.059 0.000 2.527 13 A HA 0.915 5.233 4.320 -0.002 0.000 0.293 13 A C -0.896 176.730 177.584 0.070 0.000 1.117 13 A CA -0.659 51.414 52.037 0.059 0.000 0.723 13 A CB 2.064 21.087 19.000 0.039 0.000 1.313 13 A HN 1.123 nan 8.150 nan 0.000 0.411 14 V N 0.774 120.724 119.914 0.060 0.000 2.686 14 V HA 0.349 4.468 4.120 -0.002 0.000 0.295 14 V C 0.712 176.833 176.094 0.045 0.000 1.057 14 V CA -0.358 61.978 62.300 0.060 0.000 1.012 14 V CB 1.490 33.340 31.823 0.046 0.000 1.006 14 V HN 0.929 nan 8.190 nan 0.000 0.477 15 T N 3.357 117.941 114.554 0.050 0.000 2.902 15 T HA 0.393 4.741 4.350 -0.002 0.000 0.301 15 T C 1.193 175.903 174.700 0.017 0.000 1.012 15 T CA 1.087 63.208 62.100 0.036 0.000 1.151 15 T CB 0.450 69.345 68.868 0.045 0.000 0.946 15 T HN 1.413 nan 8.240 nan 0.000 0.542 16 G N 2.493 111.294 108.800 0.003 0.000 2.234 16 G HA2 -0.153 3.805 3.960 -0.002 0.000 0.235 16 G HA3 -0.153 3.805 3.960 -0.002 0.000 0.235 16 G C 0.499 175.392 174.900 -0.012 0.000 0.997 16 G CA -0.174 44.922 45.100 -0.007 0.000 0.623 16 G HN 1.118 nan 8.290 nan 0.000 0.514 17 G N 0.108 108.904 108.800 -0.006 0.000 2.539 17 G HA2 0.486 4.445 3.960 -0.002 0.000 0.258 17 G HA3 0.486 4.445 3.960 -0.002 0.000 0.258 17 G C -0.022 174.865 174.900 -0.023 0.000 1.202 17 G CA 0.331 45.425 45.100 -0.009 0.000 0.851 17 G HN 0.491 nan 8.290 nan 0.000 0.556 18 K N -0.204 120.180 120.400 -0.027 0.000 2.174 18 K HA 0.534 4.853 4.320 -0.002 0.000 0.275 18 K C -1.010 175.562 176.600 -0.046 0.000 1.015 18 K CA -0.455 55.807 56.287 -0.041 0.000 0.933 18 K CB 1.199 33.676 32.500 -0.038 0.000 1.025 18 K HN 0.192 nan 8.250 nan 0.000 0.463 19 V N 2.369 122.241 119.914 -0.069 0.000 2.808 19 V HA 0.336 4.454 4.120 -0.002 0.000 0.308 19 V C -1.033 174.983 176.094 -0.131 0.000 1.099 19 V CA -0.827 61.421 62.300 -0.086 0.000 0.920 19 V CB 2.303 34.073 31.823 -0.089 0.000 1.014 19 V HN 0.888 nan 8.190 nan 0.000 0.425 20 T N 5.622 120.096 114.554 -0.134 0.000 2.879 20 T HA 0.648 4.997 4.350 -0.002 0.000 0.290 20 T C -0.772 173.815 174.700 -0.188 0.000 0.993 20 T CA -0.389 61.608 62.100 -0.171 0.000 0.975 20 T CB 1.157 69.958 68.868 -0.111 0.000 0.981 20 T HN 0.400 nan 8.240 nan 0.000 0.439 21 L N 2.585 123.621 121.223 -0.312 0.000 2.296 21 L HA 0.616 4.955 4.340 -0.002 0.000 0.286 21 L C 0.272 177.104 176.870 -0.065 0.000 1.023 21 L CA -0.745 53.936 54.840 -0.266 0.000 0.812 21 L CB 1.662 43.347 42.059 -0.624 0.000 1.223 21 L HN 0.560 nan 8.230 nan 0.000 0.421 22 S N 1.122 116.897 115.700 0.126 0.000 2.651 22 S HA 0.565 5.034 4.470 -0.002 0.000 0.291 22 S C -0.800 174.002 174.600 0.336 0.000 1.141 22 S CA -0.589 57.738 58.200 0.211 0.000 1.027 22 S CB 2.077 65.341 63.200 0.106 0.000 1.043 22 S HN 0.706 nan 8.310 nan 0.000 0.530 23 c N 2.530 121.286 118.600 0.260 0.000 2.551 23 c HA 0.550 5.118 4.570 -0.002 0.000 0.332 23 c C -1.685 172.456 174.090 0.085 0.000 1.139 23 c CA -0.438 55.963 56.329 0.120 0.000 1.328 23 c CB 0.963 43.429 42.510 -0.072 0.000 1.903 23 c HN 0.803 nan 8.230 nan 0.000 0.459 24 Q N 4.316 124.144 119.800 0.046 0.000 2.325 24 Q HA 0.390 4.729 4.340 -0.002 0.000 0.270 24 Q C -0.783 175.218 176.000 0.002 0.000 1.020 24 Q CA -0.080 55.742 55.803 0.031 0.000 0.785 24 Q CB 2.162 30.917 28.738 0.028 0.000 1.259 24 Q HN 0.923 nan 8.270 nan 0.000 0.452 25 Q N -0.430 119.361 119.800 -0.014 0.000 2.297 25 Q HA 0.697 5.035 4.340 -0.002 0.000 0.268 25 Q C 0.014 175.963 176.000 -0.084 0.000 1.045 25 Q CA -0.718 55.051 55.803 -0.056 0.000 0.861 25 Q CB 1.512 30.209 28.738 -0.068 0.000 1.344 25 Q HN 0.502 nan 8.270 nan 0.000 0.452 26 T N -2.102 112.371 114.554 -0.134 0.000 3.288 26 T HA 0.286 4.635 4.350 -0.002 0.000 0.293 26 T C -0.202 174.367 174.700 -0.219 0.000 1.008 26 T CA -0.497 61.523 62.100 -0.135 0.000 0.929 26 T CB -0.207 68.601 68.868 -0.099 0.000 1.152 26 T HN 0.583 nan 8.240 nan 0.000 0.517 27 N N 2.190 120.675 118.700 -0.358 0.000 2.299 27 N HA 0.127 4.866 4.740 -0.002 0.000 0.187 27 N C 0.521 175.743 175.510 -0.480 0.000 1.099 27 N CA 0.064 52.751 53.050 -0.605 0.000 0.867 27 N CB -0.176 37.536 38.487 -1.292 0.000 0.974 27 N HN 0.600 nan 8.380 nan 0.000 0.477 28 N N 0.837 119.383 118.700 -0.256 0.000 2.740 28 N HA -0.217 4.522 4.740 -0.002 0.000 0.248 28 N C -1.293 174.235 175.510 0.030 0.000 1.062 28 N CA 0.484 53.480 53.050 -0.091 0.000 0.704 28 N CB -1.782 36.672 38.487 -0.055 0.000 0.968 28 N HN 0.503 nan 8.380 nan 0.000 0.547 29 H N -0.524 118.529 119.070 -0.028 0.000 2.502 29 H HA 0.228 4.783 4.556 -0.002 0.000 0.327 29 H C 0.948 176.263 175.328 -0.023 0.000 1.099 29 H CA -1.174 54.870 56.048 -0.007 0.000 1.323 29 H CB 0.948 30.723 29.762 0.021 0.000 1.450 29 H HN 0.239 nan 8.280 nan 0.000 0.502 30 N N 1.813 120.576 118.700 0.105 0.000 2.135 30 N HA -0.103 4.636 4.740 -0.002 0.000 0.186 30 N C -0.171 175.322 175.510 -0.029 0.000 1.027 30 N CA 0.864 53.931 53.050 0.027 0.000 0.849 30 N CB -0.102 38.402 38.487 0.028 0.000 1.002 30 N HN 0.545 nan 8.380 nan 0.000 0.425 31 N N 0.327 119.016 118.700 -0.019 0.000 2.499 31 N HA 0.343 5.082 4.740 -0.002 0.000 0.281 31 N C -0.441 174.928 175.510 -0.237 0.000 1.098 31 N CA 0.238 53.191 53.050 -0.161 0.000 0.979 31 N CB 1.247 39.715 38.487 -0.032 0.000 1.121 31 N HN 0.051 nan 8.380 nan 0.000 0.466 32 M N 1.638 120.864 119.600 -0.623 0.000 2.531 32 M HA 0.447 4.926 4.480 -0.002 0.000 0.286 32 M C -1.563 174.279 176.300 -0.763 0.000 1.232 32 M CA -0.680 54.341 55.300 -0.466 0.000 0.877 32 M CB 1.924 34.315 32.600 -0.349 0.000 1.726 32 M HN 0.443 nan 8.290 nan 0.000 0.463 33 Y N -0.864 119.424 120.300 -0.020 0.000 2.609 33 Y HA 0.555 5.104 4.550 -0.002 0.000 0.342 33 Y C -1.489 174.412 175.900 0.001 0.000 1.058 33 Y CA -0.937 57.177 58.100 0.023 0.000 1.055 33 Y CB 1.642 39.899 38.460 -0.338 0.000 1.292 33 Y HN 0.666 nan 8.280 nan 0.000 0.476 34 W N 1.889 123.277 121.300 0.147 0.000 2.687 34 W HA 0.589 5.248 4.660 -0.002 0.000 0.328 34 W C -1.616 174.906 176.519 0.006 0.000 1.012 34 W CA -0.421 56.968 57.345 0.074 0.000 1.262 34 W CB 1.159 30.558 29.460 -0.102 0.000 1.331 34 W HN 0.408 nan 8.180 nan 0.000 0.433 35 Y N 1.474 122.103 120.300 0.549 0.000 2.650 35 Y HA 0.702 5.250 4.550 -0.002 0.000 0.331 35 Y C 0.091 176.239 175.900 0.413 0.000 1.082 35 Y CA -1.660 56.677 58.100 0.395 0.000 1.171 35 Y CB 1.660 40.342 38.460 0.370 0.000 1.326 35 Y HN 0.279 nan 8.280 nan 0.000 0.513 36 R N 0.611 121.360 120.500 0.414 0.000 2.533 36 R HA 0.556 4.895 4.340 -0.002 0.000 0.288 36 R C -1.747 174.626 176.300 0.122 0.000 1.039 36 R CA -1.074 55.089 56.100 0.106 0.000 0.909 36 R CB 1.746 31.957 30.300 -0.149 0.000 1.195 36 R HN 0.511 nan 8.270 nan 0.000 0.438 37 Q N 2.213 122.091 119.800 0.129 0.000 2.256 37 Q HA 0.303 4.641 4.340 -0.002 0.000 0.254 37 Q C -1.293 174.740 176.000 0.055 0.000 0.916 37 Q CA 0.086 55.965 55.803 0.127 0.000 0.932 37 Q CB 1.461 30.354 28.738 0.258 0.000 1.207 37 Q HN 0.670 nan 8.270 nan 0.000 0.426 38 D N 3.199 123.646 120.400 0.079 0.000 2.896 38 D HA 0.174 4.813 4.640 -0.002 0.000 0.241 38 D C -0.852 175.497 176.300 0.081 0.000 1.188 38 D CA -0.509 53.551 54.000 0.101 0.000 0.879 38 D CB 1.798 42.724 40.800 0.211 0.000 1.553 38 D HN 0.485 nan 8.370 nan 0.000 0.515 39 T N 1.218 115.800 114.554 0.047 0.000 2.825 39 T HA 0.426 4.774 4.350 -0.002 0.000 0.270 39 T C 1.182 175.860 174.700 -0.038 0.000 0.919 39 T CA 0.630 62.735 62.100 0.009 0.000 1.159 39 T CB 0.394 69.271 68.868 0.015 0.000 0.889 39 T HN 0.740 nan 8.240 nan 0.000 0.565 40 G N 2.764 111.520 108.800 -0.074 0.000 3.330 40 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.197 40 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.197 40 G C -0.009 174.768 174.900 -0.206 0.000 1.284 40 G CA -0.707 44.284 45.100 -0.182 0.000 0.921 40 G HN 0.639 nan 8.290 nan 0.000 0.466 41 H N 1.167 120.239 119.070 0.004 0.000 2.509 41 H HA 0.597 5.152 4.556 -0.002 0.000 0.359 41 H C 1.188 176.511 175.328 -0.008 0.000 1.253 41 H CA 0.496 56.548 56.048 0.006 0.000 1.373 41 H CB 1.093 30.867 29.762 0.022 0.000 1.555 41 H HN 0.492 nan 8.280 nan 0.000 0.586 42 G N -0.019 108.852 108.800 0.119 0.000 3.329 42 G HA2 0.270 4.228 3.960 -0.002 0.000 0.180 42 G HA3 0.270 4.228 3.960 -0.002 0.000 0.180 42 G C -0.700 174.216 174.900 0.028 0.000 1.640 42 G CA -0.343 44.771 45.100 0.024 0.000 1.018 42 G HN 0.370 nan 8.290 nan 0.000 0.581 43 L N 0.927 122.140 121.223 -0.017 0.000 2.276 43 L HA 0.581 4.920 4.340 -0.002 0.000 0.286 43 L C -0.003 176.956 176.870 0.148 0.000 1.024 43 L CA -0.501 54.343 54.840 0.007 0.000 0.826 43 L CB 0.917 42.858 42.059 -0.197 0.000 1.211 43 L HN 0.304 nan 8.230 nan 0.000 0.422 44 R N 4.221 124.855 120.500 0.224 0.000 2.393 44 R HA 0.504 4.842 4.340 -0.002 0.000 0.310 44 R C -1.126 175.375 176.300 0.335 0.000 0.968 44 R CA -1.102 55.139 56.100 0.236 0.000 0.867 44 R CB 1.774 32.141 30.300 0.111 0.000 1.124 44 R HN 0.501 nan 8.270 nan 0.000 0.450 45 L N 4.066 125.451 121.223 0.271 0.000 2.367 45 L HA 0.201 4.540 4.340 -0.002 0.000 0.275 45 L C 0.459 177.339 176.870 0.016 0.000 1.129 45 L CA 0.618 55.500 54.840 0.069 0.000 0.839 45 L CB 0.636 42.685 42.059 -0.015 0.000 1.133 45 L HN 0.724 nan 8.230 nan 0.000 0.453 46 I N 3.229 123.779 120.570 -0.034 0.000 2.681 46 I HA 0.123 4.292 4.170 -0.002 0.000 0.247 46 I C 0.088 176.033 176.117 -0.286 0.000 1.091 46 I CA 0.038 61.222 61.300 -0.194 0.000 1.442 46 I CB 0.034 37.826 38.000 -0.347 0.000 1.219 46 I HN 0.504 nan 8.210 nan 0.000 0.451 47 H N -0.823 118.332 119.070 0.141 0.000 2.996 47 H HA 0.406 4.960 4.556 -0.002 0.000 0.368 47 H C -1.579 173.994 175.328 0.408 0.000 1.185 47 H CA -0.659 55.526 56.048 0.228 0.000 1.160 47 H CB 2.073 31.939 29.762 0.174 0.000 1.820 47 H HN 0.011 nan 8.280 nan 0.000 0.547 48 Y N -0.803 119.618 120.300 0.202 0.000 2.665 48 Y HA 0.719 5.267 4.550 -0.002 0.000 0.336 48 Y C -0.650 174.962 175.900 -0.480 0.000 1.085 48 Y CA -1.196 56.800 58.100 -0.173 0.000 1.096 48 Y CB 1.445 39.673 38.460 -0.385 0.000 1.301 48 Y HN 0.447 nan 8.280 nan 0.000 0.493 49 S N -0.362 114.820 115.700 -0.864 0.000 2.541 49 S HA 0.473 4.942 4.470 -0.002 0.000 0.280 49 S C -1.181 173.069 174.600 -0.584 0.000 1.112 49 S CA -0.501 57.199 58.200 -0.833 0.000 0.925 49 S CB 0.683 63.249 63.200 -1.057 0.000 1.067 49 S HN 0.647 nan 8.310 nan 0.000 0.479 50 Y N 2.635 122.742 120.300 -0.321 0.000 2.497 50 Y HA 0.488 5.037 4.550 -0.002 0.000 0.265 50 Y C 1.480 177.283 175.900 -0.162 0.000 1.111 50 Y CA 0.529 58.520 58.100 -0.183 0.000 1.288 50 Y CB 0.596 38.983 38.460 -0.122 0.000 1.082 50 Y HN 0.933 nan 8.280 nan 0.000 0.536 51 G N -1.184 107.587 108.800 -0.048 0.000 2.315 51 G HA2 0.450 4.409 3.960 -0.002 0.000 0.294 51 G HA3 0.450 4.409 3.960 -0.002 0.000 0.294 51 G C -1.395 173.456 174.900 -0.083 0.000 1.300 51 G CA -0.612 44.453 45.100 -0.057 0.000 0.843 51 G HN 0.161 nan 8.290 nan 0.000 0.527 52 A N -0.888 121.900 122.820 -0.054 0.000 2.561 52 A HA 0.548 4.867 4.320 -0.002 0.000 0.234 52 A C 1.844 179.406 177.584 -0.035 0.000 1.055 52 A CA 1.925 53.938 52.037 -0.040 0.000 0.756 52 A CB -0.356 18.632 19.000 -0.021 0.000 0.986 52 A HN 2.876 nan 8.150 nan 0.000 0.505 53 G N 0.693 109.477 108.800 -0.027 0.000 2.189 53 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.267 53 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.267 53 G C 0.539 175.416 174.900 -0.038 0.000 0.975 53 G CA 0.915 46.002 45.100 -0.023 0.000 0.644 53 G HN 1.845 nan 8.290 nan 0.000 0.537 54 S N 0.360 116.020 115.700 -0.067 0.000 2.462 54 S HA 0.752 5.220 4.470 -0.002 0.000 0.294 54 S C 0.064 174.563 174.600 -0.168 0.000 1.144 54 S CA 0.743 58.887 58.200 -0.093 0.000 1.088 54 S CB 1.400 64.564 63.200 -0.060 0.000 1.009 54 S HN 1.396 nan 8.310 nan 0.000 0.484 55 T N 2.127 116.579 114.554 -0.170 0.000 3.186 55 T HA 0.518 4.867 4.350 -0.002 0.000 0.320 55 T C -1.350 173.197 174.700 -0.255 0.000 0.955 55 T CA -0.952 61.035 62.100 -0.189 0.000 1.030 55 T CB 1.129 69.936 68.868 -0.100 0.000 1.013 55 T HN 0.492 nan 8.240 nan 0.000 0.454 56 E N 2.558 122.481 120.200 -0.463 0.000 2.235 56 E HA 0.434 4.783 4.350 -0.002 0.000 0.265 56 E C -0.306 176.201 176.600 -0.154 0.000 0.940 56 E CA -1.059 55.040 56.400 -0.502 0.000 0.819 56 E CB 2.255 31.208 29.700 -1.245 0.000 1.206 56 E HN 0.873 nan 8.360 nan 0.000 0.409 57 K N -0.182 120.274 120.400 0.093 0.000 2.143 57 K HA 0.646 4.965 4.320 -0.002 0.000 0.272 57 K C 0.391 177.145 176.600 0.256 0.000 1.001 57 K CA -0.767 55.700 56.287 0.300 0.000 0.915 57 K CB 1.412 34.062 32.500 0.249 0.000 1.047 57 K HN 0.465 nan 8.250 nan 0.000 0.458 58 G N 1.487 110.384 108.800 0.162 0.000 2.714 58 G HA2 0.012 3.971 3.960 -0.002 0.000 0.197 58 G HA3 0.012 3.971 3.960 -0.002 0.000 0.197 58 G C 0.133 175.073 174.900 0.066 0.000 1.449 58 G CA -0.329 44.865 45.100 0.156 0.000 1.065 58 G HN 0.727 nan 8.290 nan 0.000 0.575 59 D N 0.004 120.434 120.400 0.049 0.000 2.097 59 D HA -0.104 4.534 4.640 -0.002 0.000 0.195 59 D C 1.478 177.793 176.300 0.026 0.000 0.989 59 D CA 1.367 55.395 54.000 0.046 0.000 0.827 59 D CB -0.005 40.831 40.800 0.060 0.000 0.966 59 D HN 0.400 nan 8.370 nan 0.000 0.456 60 I N -2.309 118.262 120.570 0.001 0.000 2.905 60 I HA 0.275 4.444 4.170 -0.002 0.000 0.297 60 I C -2.202 173.901 176.117 -0.023 0.000 1.358 60 I CA -1.693 59.612 61.300 0.009 0.000 0.975 60 I CB 1.860 39.881 38.000 0.036 0.000 1.857 60 I HN -0.299 nan 8.210 nan 0.000 0.612 61 P HA -0.098 nan 4.420 nan 0.000 0.221 61 P C -0.036 177.331 177.300 0.112 0.000 1.150 61 P CA 0.596 63.553 63.100 -0.238 0.000 0.800 61 P CB -0.080 31.524 31.700 -0.160 0.000 0.787 62 D N 1.052 121.524 120.400 0.121 0.000 2.772 62 D HA 0.221 4.860 4.640 -0.002 0.000 0.227 62 D C 1.352 177.692 176.300 0.067 0.000 1.114 62 D CA 2.160 56.223 54.000 0.105 0.000 0.832 62 D CB -0.546 40.296 40.800 0.071 0.000 1.154 62 D HN 0.310 nan 8.370 nan 0.000 0.514 66 K N 1.360 121.863 120.400 0.172 0.000 2.316 66 K HA 1.011 5.330 4.320 -0.002 0.000 0.234 66 K C -0.998 175.539 176.600 -0.106 0.000 1.054 66 K CA -1.162 55.119 56.287 -0.010 0.000 0.879 66 K CB 2.503 34.978 32.500 -0.041 0.000 1.252 66 K HN 0.687 nan 8.250 nan 0.000 0.471 67 A N 0.073 122.778 122.820 -0.192 0.000 2.586 67 A HA 0.646 4.964 4.320 -0.002 0.000 0.290 67 A C -1.671 175.877 177.584 -0.060 0.000 1.086 67 A CA -0.565 51.363 52.037 -0.182 0.000 0.665 67 A CB 1.802 20.692 19.000 -0.185 0.000 1.279 67 A HN 0.429 nan 8.150 nan 0.000 0.423 68 S N -0.763 114.962 115.700 0.043 0.000 2.584 68 S HA 0.584 5.053 4.470 -0.002 0.000 0.280 68 S C -1.359 173.415 174.600 0.291 0.000 1.162 68 S CA -0.442 57.831 58.200 0.122 0.000 0.951 68 S CB 1.362 64.584 63.200 0.036 0.000 1.108 68 S HN 1.240 nan 8.310 nan 0.000 0.464 69 R N 5.586 126.230 120.500 0.241 0.000 2.790 69 R HA 0.466 4.805 4.340 -0.002 0.000 0.274 69 R C -1.726 174.622 176.300 0.079 0.000 1.334 69 R CA -2.127 54.087 56.100 0.190 0.000 1.543 69 R CB 0.573 30.867 30.300 -0.010 0.000 1.154 69 R HN 0.493 nan 8.270 nan 0.000 0.601 70 P HA -0.080 nan 4.420 nan 0.000 0.222 70 P C -0.470 176.847 177.300 0.028 0.000 1.147 70 P CA 0.814 63.940 63.100 0.043 0.000 0.790 70 P CB 0.430 32.157 31.700 0.044 0.000 0.780 71 S N -2.629 113.091 115.700 0.033 0.000 2.688 71 S HA 0.289 4.758 4.470 -0.002 0.000 0.275 71 S C 0.838 175.443 174.600 0.008 0.000 1.175 71 S CA -0.612 57.598 58.200 0.016 0.000 0.818 71 S CB 1.547 64.757 63.200 0.017 0.000 1.157 71 S HN -0.183 nan 8.310 nan 0.000 0.482 72 Q N 0.386 120.184 119.800 -0.002 0.000 2.170 72 Q HA -0.024 4.315 4.340 -0.002 0.000 0.203 72 Q C 1.133 177.129 176.000 -0.007 0.000 0.976 72 Q CA 2.235 58.031 55.803 -0.012 0.000 0.858 72 Q CB -0.270 28.461 28.738 -0.011 0.000 0.907 72 Q HN 0.774 nan 8.270 nan 0.000 0.433 73 E N -0.713 119.489 120.200 0.004 0.000 2.400 73 E HA 0.063 4.411 4.350 -0.002 0.000 0.195 73 E C -0.239 176.387 176.600 0.044 0.000 1.012 73 E CA 0.149 56.554 56.400 0.008 0.000 0.875 73 E CB 0.331 30.030 29.700 -0.001 0.000 0.859 73 E HN 0.132 nan 8.360 nan 0.000 0.498 74 Q N 0.220 120.062 119.800 0.070 0.000 2.337 74 Q HA 0.501 4.839 4.340 -0.002 0.000 0.266 74 Q C -1.766 174.375 176.000 0.235 0.000 1.023 74 Q CA -0.725 55.154 55.803 0.126 0.000 0.829 74 Q CB 0.836 29.632 28.738 0.096 0.000 1.306 74 Q HN 0.022 nan 8.270 nan 0.000 0.449 75 F N 2.299 122.297 119.950 0.079 0.000 2.730 75 F HA 0.578 5.103 4.527 -0.002 0.000 0.335 75 F C -1.489 174.523 175.800 0.354 0.000 1.212 75 F CA -0.552 57.530 58.000 0.136 0.000 1.016 75 F CB 1.477 40.508 39.000 0.052 0.000 1.290 75 F HN 0.523 nan 8.300 nan 0.000 0.495 76 S N 5.453 121.192 115.700 0.065 0.000 2.537 76 S HA 0.747 5.216 4.470 -0.002 0.000 0.301 76 S C -1.399 172.943 174.600 -0.429 0.000 1.092 76 S CA -0.647 57.524 58.200 -0.048 0.000 1.048 76 S CB 2.127 65.303 63.200 -0.039 0.000 1.053 76 S HN 0.605 nan 8.310 nan 0.000 0.501 77 L N 3.022 123.799 121.223 -0.744 0.000 2.296 77 L HA 0.636 4.975 4.340 -0.002 0.000 0.286 77 L C -1.405 175.164 176.870 -0.501 0.000 1.023 77 L CA -0.310 53.993 54.840 -0.894 0.000 0.812 77 L CB 0.506 41.574 42.059 -1.653 0.000 1.223 77 L HN 0.618 nan 8.230 nan 0.000 0.421 78 I N 6.030 126.438 120.570 -0.270 0.000 2.406 78 I HA 0.340 4.509 4.170 -0.002 0.000 0.290 78 I C -1.122 174.943 176.117 -0.087 0.000 0.999 78 I CA -0.629 60.572 61.300 -0.164 0.000 1.124 78 I CB 1.609 39.539 38.000 -0.118 0.000 1.289 78 I HN 0.361 nan 8.210 nan 0.000 0.441 79 L N 6.741 127.896 121.223 -0.114 0.000 2.324 79 L HA 0.355 4.694 4.340 -0.002 0.000 0.274 79 L C 1.025 177.832 176.870 -0.104 0.000 1.012 79 L CA 0.083 54.847 54.840 -0.127 0.000 0.859 79 L CB 0.869 42.841 42.059 -0.144 0.000 1.224 79 L HN 0.548 nan 8.230 nan 0.000 0.429 80 E N 2.393 122.538 120.200 -0.091 0.000 2.112 80 E HA 0.035 4.383 4.350 -0.002 0.000 0.190 80 E C 0.192 176.755 176.600 -0.061 0.000 0.979 80 E CA 0.712 57.072 56.400 -0.067 0.000 0.814 80 E CB 0.421 30.089 29.700 -0.053 0.000 0.762 80 E HN 0.224 nan 8.360 nan 0.000 0.460 81 L N 1.455 122.633 121.223 -0.075 0.000 2.495 81 L HA 0.376 4.715 4.340 -0.002 0.000 0.248 81 L C -0.627 176.199 176.870 -0.073 0.000 1.229 81 L CA -0.347 54.457 54.840 -0.061 0.000 0.942 81 L CB 0.338 42.364 42.059 -0.054 0.000 1.242 81 L HN -0.106 nan 8.230 nan 0.000 0.484 82 A N 2.604 125.389 122.820 -0.060 0.000 2.561 82 A HA 0.416 4.735 4.320 -0.002 0.000 0.234 82 A C 0.593 178.162 177.584 -0.026 0.000 1.055 82 A CA 0.615 52.623 52.037 -0.048 0.000 0.756 82 A CB -0.024 18.964 19.000 -0.021 0.000 0.986 82 A HN 0.721 nan 8.150 nan 0.000 0.505 83 T N -0.298 114.245 114.554 -0.018 0.000 2.900 83 T HA 0.601 4.950 4.350 -0.002 0.000 0.303 83 T C -2.517 172.209 174.700 0.043 0.000 1.142 83 T CA -1.481 60.624 62.100 0.007 0.000 1.007 83 T CB 1.803 70.662 68.868 -0.016 0.000 1.156 83 T HN 0.170 nan 8.240 nan 0.000 0.490 84 P HA -0.106 nan 4.420 nan 0.000 0.217 84 P C 1.626 178.979 177.300 0.087 0.000 1.148 84 P CA 1.213 64.367 63.100 0.090 0.000 0.828 84 P CB -0.056 31.700 31.700 0.094 0.000 0.783 85 S N -0.673 115.067 115.700 0.066 0.000 2.419 85 S HA -0.192 4.277 4.470 -0.002 0.000 0.235 85 S C 1.537 176.192 174.600 0.093 0.000 1.019 85 S CA 1.119 59.359 58.200 0.067 0.000 0.982 85 S CB -0.790 62.434 63.200 0.040 0.000 0.789 85 S HN 0.428 nan 8.310 nan 0.000 0.490 86 Q N 0.853 120.715 119.800 0.103 0.000 2.365 86 Q HA 0.124 4.463 4.340 -0.002 0.000 0.203 86 Q C -0.260 175.881 176.000 0.235 0.000 0.929 86 Q CA 0.109 56.034 55.803 0.204 0.000 0.948 86 Q CB -0.038 28.792 28.738 0.153 0.000 1.043 86 Q HN 0.237 nan 8.270 nan 0.000 0.505 87 T N 1.019 115.662 114.554 0.147 0.000 2.769 87 T HA 0.252 4.600 4.350 -0.002 0.000 0.293 87 T C -0.199 174.530 174.700 0.048 0.000 0.931 87 T CA 0.199 62.374 62.100 0.126 0.000 1.139 87 T CB 0.593 69.529 68.868 0.113 0.000 0.881 87 T HN 0.125 nan 8.240 nan 0.000 0.532 88 S N 2.539 118.220 115.700 -0.032 0.000 2.656 88 S HA 0.421 4.890 4.470 -0.002 0.000 0.265 88 S C -1.643 172.757 174.600 -0.334 0.000 1.110 88 S CA -0.807 57.257 58.200 -0.226 0.000 0.821 88 S CB 0.703 63.657 63.200 -0.410 0.000 1.099 88 S HN 0.365 nan 8.310 nan 0.000 0.471 89 V N 3.068 122.792 119.914 -0.317 0.000 2.370 89 V HA 0.510 4.629 4.120 -0.002 0.000 0.279 89 V C -1.206 174.702 176.094 -0.310 0.000 1.029 89 V CA -0.282 61.863 62.300 -0.258 0.000 0.870 89 V CB 0.518 32.243 31.823 -0.165 0.000 0.984 89 V HN 0.742 nan 8.190 nan 0.000 0.451 90 Y N 4.231 124.486 120.300 -0.076 0.000 2.361 90 Y HA 0.667 5.216 4.550 -0.002 0.000 0.332 90 Y C -0.293 175.638 175.900 0.051 0.000 1.101 90 Y CA -0.641 57.538 58.100 0.132 0.000 1.137 90 Y CB 1.491 40.057 38.460 0.176 0.000 1.207 90 Y HN 0.488 nan 8.280 nan 0.000 0.463 91 F N 1.520 121.814 119.950 0.574 0.000 2.520 91 F HA 0.535 5.061 4.527 -0.002 0.000 0.322 91 F C -0.166 175.791 175.800 0.263 0.000 1.103 91 F CA -0.882 57.364 58.000 0.409 0.000 0.926 91 F CB 1.365 40.600 39.000 0.392 0.000 1.154 91 F HN 0.475 nan 8.300 nan 0.000 0.453 92 c N 2.855 121.485 118.600 0.050 0.000 2.397 92 c HA 0.986 5.555 4.570 -0.002 0.000 0.343 92 c C -0.298 173.725 174.090 -0.112 0.000 1.188 92 c CA -0.049 56.020 56.329 -0.433 0.000 1.992 92 c CB 0.203 42.171 42.510 -0.904 0.000 2.358 92 c HN 1.016 nan 8.230 nan 0.000 0.518 93 A N 2.635 125.387 122.820 -0.114 0.000 2.588 93 A HA 0.959 5.277 4.320 -0.002 0.000 0.290 93 A C -0.707 176.955 177.584 0.129 0.000 1.136 93 A CA 0.152 52.125 52.037 -0.107 0.000 0.681 93 A CB 1.408 20.094 19.000 -0.523 0.000 1.282 93 A HN 2.005 nan 8.150 nan 0.000 0.421 94 S N -1.265 114.576 115.700 0.235 0.000 2.565 94 S HA 0.927 5.396 4.470 -0.002 0.000 0.269 94 S C 0.079 174.934 174.600 0.424 0.000 1.153 94 S CA 0.520 58.929 58.200 0.350 0.000 0.835 94 S CB 0.992 64.395 63.200 0.340 0.000 1.122 94 S HN 2.899 nan 8.310 nan 0.000 0.462 95 G N 0.749 109.633 108.800 0.139 0.000 2.254 95 G HA2 0.381 4.340 3.960 -0.002 0.000 0.193 95 G HA3 0.381 4.340 3.960 -0.002 0.000 0.193 95 G C 0.396 175.213 174.900 -0.139 0.000 1.233 95 G CA 0.191 45.050 45.100 -0.401 0.000 1.290 95 G HN 1.772 nan 8.290 nan 0.000 0.517 96 G N 0.349 109.100 108.800 -0.082 0.000 2.583 96 G HA2 0.583 4.542 3.960 -0.002 0.000 0.275 96 G HA3 0.583 4.542 3.960 -0.002 0.000 0.275 96 G C 1.060 175.986 174.900 0.043 0.000 1.342 96 G CA 0.822 45.900 45.100 -0.035 0.000 1.030 96 G HN 1.747 nan 8.290 nan 0.000 0.520 97 G N -1.373 107.434 108.800 0.013 0.000 2.664 97 G HA2 0.333 4.291 3.960 -0.002 0.000 0.242 97 G HA3 0.333 4.291 3.960 -0.002 0.000 0.242 97 G C 0.410 175.261 174.900 -0.081 0.000 1.225 97 G CA -0.556 44.573 45.100 0.048 0.000 0.849 97 G HN 0.566 nan 8.290 nan 0.000 0.581 98 R N 0.235 120.707 120.500 -0.047 0.000 2.489 98 R HA 0.309 4.648 4.340 -0.002 0.000 0.287 98 R C 1.357 177.452 176.300 -0.342 0.000 1.053 98 R CA 1.165 57.097 56.100 -0.280 0.000 1.036 98 R CB 0.014 30.085 30.300 -0.381 0.000 0.966 98 R HN 1.279 nan 8.270 nan 0.000 0.432 99 G N 2.335 110.801 108.800 -0.556 0.000 2.179 99 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.260 99 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.260 99 G C 0.136 174.723 174.900 -0.521 0.000 0.977 99 G CA 0.545 45.354 45.100 -0.485 0.000 0.641 99 G HN 0.604 nan 8.290 nan 0.000 0.533 100 S N 0.419 115.805 115.700 -0.524 0.000 3.158 100 S HA 0.576 5.045 4.470 -0.002 0.000 0.215 100 S C 1.373 175.758 174.600 -0.360 0.000 1.359 100 S CA -0.319 57.695 58.200 -0.310 0.000 0.974 100 S CB -0.279 62.814 63.200 -0.179 0.000 1.336 100 S HN 0.319 nan 8.310 nan 0.000 0.488 101 Y N 2.093 122.337 120.300 -0.093 0.000 2.333 101 Y HA 0.073 4.621 4.550 -0.002 0.000 0.290 101 Y C 1.806 177.644 175.900 -0.102 0.000 1.144 101 Y CA 0.721 58.779 58.100 -0.070 0.000 1.228 101 Y CB -0.605 37.819 38.460 -0.060 0.000 0.985 101 Y HN 0.682 nan 8.280 nan 0.000 0.542 106 Q N 0.395 120.074 119.800 -0.202 0.000 2.368 106 Q HA 0.472 4.811 4.340 -0.002 0.000 0.237 106 Q C -0.729 175.124 176.000 -0.246 0.000 0.987 106 Q CA 0.283 56.007 55.803 -0.131 0.000 0.896 106 Q CB 0.723 29.349 28.738 -0.186 0.000 1.241 106 Q HN -0.086 nan 8.270 nan 0.000 0.485 107 F N 1.072 121.089 119.950 0.112 0.000 2.553 107 F HA 0.364 4.889 4.527 -0.002 0.000 0.335 107 F C -0.701 175.187 175.800 0.147 0.000 1.148 107 F CA -0.685 57.435 58.000 0.201 0.000 0.963 107 F CB 0.769 39.888 39.000 0.198 0.000 1.217 107 F HN 0.382 nan 8.300 nan 0.000 0.441 108 F N 1.182 121.243 119.950 0.185 0.000 2.375 108 F HA 0.659 5.185 4.527 -0.002 0.000 0.313 108 F C 1.098 177.011 175.800 0.188 0.000 1.176 108 F CA -0.635 57.463 58.000 0.165 0.000 1.142 108 F CB 0.569 39.600 39.000 0.052 0.000 1.275 108 F HN 0.455 nan 8.300 nan 0.000 0.544 109 G N 0.126 109.168 108.800 0.404 0.000 2.552 109 G HA2 0.440 4.399 3.960 -0.002 0.000 0.324 109 G HA3 0.440 4.399 3.960 -0.002 0.000 0.324 109 G C -2.051 173.053 174.900 0.339 0.000 1.217 109 G CA -1.325 43.936 45.100 0.269 0.000 0.989 109 G HN 0.409 nan 8.290 nan 0.000 0.490 110 P HA 0.038 nan 4.420 nan 0.000 0.221 110 P C 0.910 178.233 177.300 0.038 0.000 1.145 110 P CA 1.551 64.740 63.100 0.148 0.000 0.795 110 P CB 0.100 31.840 31.700 0.067 0.000 0.775 111 G N -1.202 107.514 108.800 -0.141 0.000 2.675 111 G HA2 -0.047 3.911 3.960 -0.002 0.000 0.686 111 G HA3 -0.047 3.911 3.960 -0.002 0.000 0.686 111 G C -0.969 173.745 174.900 -0.309 0.000 1.215 111 G CA -0.663 44.036 45.100 -0.668 0.000 0.777 111 G HN 0.164 nan 8.290 nan 0.000 0.638 112 T N 2.324 116.738 114.554 -0.234 0.000 2.840 112 T HA 0.579 4.928 4.350 -0.002 0.000 0.287 112 T C 0.411 175.061 174.700 -0.083 0.000 0.991 112 T CA -0.705 61.350 62.100 -0.074 0.000 0.964 112 T CB 1.082 70.005 68.868 0.092 0.000 0.954 112 T HN 0.659 nan 8.240 nan 0.000 0.438 113 R N 2.302 122.685 120.500 -0.195 0.000 2.265 113 R HA 0.559 4.898 4.340 -0.002 0.000 0.314 113 R C -0.894 175.357 176.300 -0.081 0.000 1.053 113 R CA -0.797 55.117 56.100 -0.312 0.000 0.931 113 R CB 0.734 30.529 30.300 -0.841 0.000 1.024 113 R HN 0.299 nan 8.270 nan 0.000 0.457 114 L N 1.878 123.152 121.223 0.086 0.000 2.385 114 L HA 0.452 4.791 4.340 -0.002 0.000 0.273 114 L C -1.045 175.965 176.870 0.232 0.000 0.990 114 L CA 0.032 55.008 54.840 0.227 0.000 0.821 114 L CB 2.510 44.770 42.059 0.336 0.000 1.279 114 L HN 0.498 nan 8.230 nan 0.000 0.412 115 T N 4.184 118.870 114.554 0.221 0.000 2.848 115 T HA 0.726 5.075 4.350 -0.002 0.000 0.285 115 T C -0.832 173.933 174.700 0.107 0.000 0.995 115 T CA -0.436 61.753 62.100 0.149 0.000 0.970 115 T CB 1.742 70.647 68.868 0.061 0.000 0.976 115 T HN 0.365 nan 8.240 nan 0.000 0.441 116 V N 2.988 122.971 119.914 0.115 0.000 2.815 116 V HA 0.506 4.625 4.120 -0.002 0.000 0.314 116 V C 0.561 176.738 176.094 0.138 0.000 1.064 116 V CA -0.843 61.522 62.300 0.108 0.000 0.952 116 V CB 1.999 33.877 31.823 0.092 0.000 1.020 116 V HN 0.977 nan 8.190 nan 0.000 0.439 117 E N 1.240 121.545 120.200 0.175 0.000 2.693 117 E HA 0.280 4.628 4.350 -0.002 0.000 0.214 117 E C -0.686 175.959 176.600 0.074 0.000 0.990 117 E CA -0.090 56.375 56.400 0.109 0.000 1.047 117 E CB 1.039 30.801 29.700 0.103 0.000 1.039 117 E HN 0.659 nan 8.360 nan 0.000 0.475 118 D N 0.837 121.292 120.400 0.092 0.000 2.219 118 D HA 0.075 4.714 4.640 -0.002 0.000 0.191 118 D C 0.658 177.027 176.300 0.115 0.000 1.272 118 D CA -0.276 53.757 54.000 0.055 0.000 0.873 118 D CB 0.624 41.418 40.800 -0.011 0.000 1.730 118 D HN -0.023 nan 8.370 nan 0.000 0.519 119 L N 2.600 123.901 121.223 0.131 0.000 2.191 119 L HA -0.054 4.285 4.340 -0.002 0.000 0.212 119 L C 2.228 179.304 176.870 0.342 0.000 1.103 119 L CA 0.836 55.817 54.840 0.235 0.000 0.769 119 L CB -0.105 42.115 42.059 0.269 0.000 0.908 119 L HN 0.246 nan 8.230 nan 0.000 0.438 120 R N -0.156 120.492 120.500 0.247 0.000 2.357 120 R HA -0.129 4.210 4.340 -0.002 0.000 0.202 120 R C 1.917 178.336 176.300 0.199 0.000 1.047 120 R CA 0.504 56.784 56.100 0.300 0.000 1.034 120 R CB -0.105 30.256 30.300 0.100 0.000 0.875 120 R HN 0.545 nan 8.270 nan 0.000 0.473 121 Q N -0.083 119.813 119.800 0.159 0.000 2.331 121 Q HA 0.044 4.383 4.340 -0.002 0.000 0.203 121 Q C 0.163 176.345 176.000 0.304 0.000 0.944 121 Q CA 0.237 56.091 55.803 0.086 0.000 0.892 121 Q CB 0.538 29.281 28.738 0.009 0.000 0.983 121 Q HN 0.063 nan 8.270 nan 0.000 0.482 122 V N 2.926 123.061 119.914 0.369 0.000 2.458 122 V HA 0.015 4.134 4.120 -0.002 0.000 0.287 122 V C 0.366 176.634 176.094 0.291 0.000 1.009 122 V CA 0.484 63.024 62.300 0.400 0.000 1.091 122 V CB 0.036 32.042 31.823 0.305 0.000 0.960 122 V HN 0.279 nan 8.190 nan 0.000 0.476 123 T N 5.116 119.853 114.554 0.305 0.000 2.893 123 T HA 0.601 4.949 4.350 -0.002 0.000 0.293 123 T C -2.747 171.853 174.700 -0.167 0.000 1.027 123 T CA -2.110 60.044 62.100 0.089 0.000 0.988 123 T CB 2.600 71.524 68.868 0.093 0.000 1.043 123 T HN 0.423 nan 8.240 nan 0.000 0.461 124 P HA 0.335 nan 4.420 nan 0.000 0.274 124 P C -2.615 174.405 177.300 -0.467 0.000 1.246 124 P CA -1.443 61.059 63.100 -0.996 0.000 0.795 124 P CB -0.024 31.339 31.700 -0.561 0.000 1.006 125 P HA 0.265 nan 4.420 nan 0.000 0.278 125 P C -0.860 176.418 177.300 -0.037 0.000 1.258 125 P CA -0.414 62.659 63.100 -0.045 0.000 0.811 125 P CB 1.036 32.611 31.700 -0.209 0.000 1.063 126 K N 1.238 121.679 120.400 0.069 0.000 2.367 126 K HA 0.424 4.742 4.320 -0.002 0.000 0.263 126 K C -1.268 175.359 176.600 0.045 0.000 1.000 126 K CA -0.673 55.638 56.287 0.040 0.000 0.891 126 K CB 0.745 33.286 32.500 0.068 0.000 1.117 126 K HN 0.178 nan 8.250 nan 0.000 0.443 127 V N 2.684 122.589 119.914 -0.015 0.000 2.483 127 V HA 0.510 4.629 4.120 -0.002 0.000 0.295 127 V C -0.471 175.573 176.094 -0.084 0.000 1.035 127 V CA -0.681 61.593 62.300 -0.044 0.000 0.896 127 V CB 1.665 33.430 31.823 -0.096 0.000 0.986 127 V HN 0.826 nan 8.190 nan 0.000 0.447 128 S N 3.859 119.475 115.700 -0.141 0.000 2.564 128 S HA 0.716 5.185 4.470 -0.002 0.000 0.274 128 S C -0.987 173.257 174.600 -0.594 0.000 1.124 128 S CA -0.647 57.336 58.200 -0.361 0.000 0.869 128 S CB 1.904 64.850 63.200 -0.424 0.000 1.105 128 S HN 0.534 nan 8.310 nan 0.000 0.472 129 L N 2.333 123.163 121.223 -0.654 0.000 2.317 129 L HA 0.679 5.018 4.340 -0.002 0.000 0.281 129 L C -1.355 175.079 176.870 -0.726 0.000 1.024 129 L CA -0.327 54.231 54.840 -0.470 0.000 0.810 129 L CB 0.845 42.819 42.059 -0.143 0.000 1.240 129 L HN 0.592 nan 8.230 nan 0.000 0.427 130 F N 0.814 120.783 119.950 0.032 0.000 2.814 130 F HA 0.640 5.166 4.527 -0.002 0.000 0.353 130 F C -0.439 175.307 175.800 -0.090 0.000 1.177 130 F CA -0.905 57.091 58.000 -0.007 0.000 1.036 130 F CB 1.383 40.386 39.000 0.005 0.000 1.455 130 F HN 0.224 nan 8.300 nan 0.000 0.520 131 E N 0.534 120.823 120.200 0.148 0.000 2.406 131 E HA 0.501 4.849 4.350 -0.002 0.000 0.297 131 E C -2.939 173.646 176.600 -0.024 0.000 0.917 131 E CA -1.373 54.994 56.400 -0.054 0.000 0.795 131 E CB 1.466 31.094 29.700 -0.119 0.000 1.285 131 E HN 0.238 nan 8.360 nan 0.000 0.400 132 P HA 0.579 nan 4.420 nan 0.000 0.302 132 P C -1.274 176.000 177.300 -0.043 0.000 1.307 132 P CA -0.689 62.382 63.100 -0.047 0.000 0.754 132 P CB 0.830 32.497 31.700 -0.056 0.000 1.298 133 S N -3.751 111.931 115.700 -0.031 0.000 2.541 133 S HA 0.604 5.073 4.470 -0.002 0.000 0.271 133 S C 0.543 175.134 174.600 -0.015 0.000 1.133 133 S CA -0.308 57.882 58.200 -0.016 0.000 0.876 133 S CB 1.426 64.626 63.200 -0.000 0.000 1.105 133 S HN 0.369 nan 8.310 nan 0.000 0.470 134 K N 0.741 121.137 120.400 -0.007 0.000 2.211 134 K HA 0.325 4.644 4.320 -0.002 0.000 0.203 134 K C 2.199 178.797 176.600 -0.003 0.000 1.050 134 K CA 1.675 57.959 56.287 -0.006 0.000 0.945 134 K CB -1.399 31.102 32.500 0.002 0.000 0.732 134 K HN 1.211 nan 8.250 nan 0.000 0.451 135 A N 1.460 124.280 122.820 0.001 0.000 2.070 135 A HA -0.134 4.184 4.320 -0.002 0.000 0.220 135 A C 1.748 179.329 177.584 -0.004 0.000 1.159 135 A CA 1.341 53.379 52.037 0.002 0.000 0.656 135 A CB -0.203 18.800 19.000 0.005 0.000 0.800 135 A HN 0.705 nan 8.150 nan 0.000 0.453 136 E N -0.315 119.880 120.200 -0.009 0.000 2.365 136 E HA 0.287 4.636 4.350 -0.002 0.000 0.188 136 E C -0.019 176.572 176.600 -0.014 0.000 1.102 136 E CA 0.210 56.602 56.400 -0.013 0.000 0.927 136 E CB -0.580 29.109 29.700 -0.020 0.000 1.073 136 E HN 0.852 nan 8.360 nan 0.000 0.467 137 I N -6.638 113.925 120.570 -0.011 0.000 2.959 137 I HA 0.393 4.562 4.170 -0.002 0.000 0.309 137 I C -0.904 175.209 176.117 -0.007 0.000 1.604 137 I CA -1.110 60.184 61.300 -0.010 0.000 0.932 137 I CB 1.334 39.327 38.000 -0.013 0.000 1.334 137 I HN -0.273 nan 8.210 nan 0.000 0.590 138 A N 0.775 123.590 122.820 -0.007 0.000 2.589 138 A HA 0.496 4.815 4.320 -0.002 0.000 0.283 138 A C 0.189 177.770 177.584 -0.006 0.000 1.187 138 A CA -0.217 51.817 52.037 -0.005 0.000 0.957 138 A CB -0.666 18.332 19.000 -0.005 0.000 1.175 138 A HN 0.747 nan 8.150 nan 0.000 0.532 139 N N 0.216 118.911 118.700 -0.008 0.000 2.223 139 N HA 0.232 4.971 4.740 -0.002 0.000 0.258 139 N C 1.070 176.574 175.510 -0.009 0.000 1.251 139 N CA 0.086 53.130 53.050 -0.009 0.000 0.894 139 N CB 0.027 38.506 38.487 -0.012 0.000 1.204 139 N HN 0.134 nan 8.380 nan 0.000 0.398 140 K N -0.404 119.988 120.400 -0.013 0.000 4.355 140 K HA 0.159 4.478 4.320 -0.002 0.000 0.265 140 K C 1.067 177.656 176.600 -0.018 0.000 1.289 140 K CA 0.249 56.529 56.287 -0.013 0.000 1.755 140 K CB -0.531 31.961 32.500 -0.013 0.000 2.770 140 K HN 0.419 nan 8.250 nan 0.000 0.626 141 Q N 0.452 120.237 119.800 -0.026 0.000 2.511 141 Q HA 0.142 4.481 4.340 -0.002 0.000 0.236 141 Q C 1.244 177.216 176.000 -0.048 0.000 0.893 141 Q CA 2.599 58.379 55.803 -0.038 0.000 0.947 141 Q CB 0.165 28.877 28.738 -0.044 0.000 1.110 141 Q HN 0.528 nan 8.270 nan 0.000 0.591 142 K N 0.788 121.162 120.400 -0.044 0.000 10.669 142 K HA -0.124 4.195 4.320 -0.002 0.000 0.523 142 K C 0.710 177.274 176.600 -0.061 0.000 0.380 142 K CA 3.017 59.277 56.287 -0.044 0.000 1.946 142 K CB -2.319 30.158 32.500 -0.038 0.000 0.755 142 K HN 1.535 nan 8.250 nan 0.000 1.190 143 A N -1.785 120.987 122.820 -0.081 0.000 2.582 143 A HA 0.657 4.975 4.320 -0.002 0.000 0.297 143 A C 0.810 178.295 177.584 -0.166 0.000 1.059 143 A CA 0.758 52.725 52.037 -0.116 0.000 0.705 143 A CB 1.135 20.081 19.000 -0.091 0.000 1.279 143 A HN 1.025 nan 8.150 nan 0.000 0.404 144 T N 1.068 115.477 114.554 -0.242 0.000 2.925 144 T HA 0.208 4.557 4.350 -0.002 0.000 0.232 144 T C 0.636 175.081 174.700 -0.424 0.000 1.055 144 T CA 0.948 62.832 62.100 -0.359 0.000 1.419 144 T CB -0.468 68.144 68.868 -0.427 0.000 1.094 144 T HN 0.430 nan 8.240 nan 0.000 0.423 145 L N 1.591 122.492 121.223 -0.537 0.000 2.426 145 L HA 0.378 4.717 4.340 -0.002 0.000 0.271 145 L C -0.413 176.367 176.870 -0.149 0.000 1.169 145 L CA 0.142 54.705 54.840 -0.461 0.000 0.836 145 L CB 0.502 42.184 42.059 -0.629 0.000 1.112 145 L HN 0.090 nan 8.230 nan 0.000 0.465 146 V N 1.448 121.405 119.914 0.071 0.000 2.709 146 V HA 0.461 4.579 4.120 -0.002 0.000 0.308 146 V C -0.703 175.605 176.094 0.357 0.000 1.062 146 V CA -0.679 61.772 62.300 0.252 0.000 0.901 146 V CB 2.038 33.984 31.823 0.205 0.000 1.003 146 V HN 0.902 nan 8.190 nan 0.000 0.425 147 c N 6.003 124.820 118.600 0.361 0.000 2.507 147 c HA 0.906 5.475 4.570 -0.002 0.000 0.319 147 c C -0.993 173.207 174.090 0.182 0.000 1.208 147 c CA -0.496 55.925 56.329 0.154 0.000 1.619 147 c CB 0.987 43.414 42.510 -0.138 0.000 2.230 147 c HN 0.870 nan 8.230 nan 0.000 0.492 148 L N 5.331 126.663 121.223 0.181 0.000 2.482 148 L HA 0.776 5.115 4.340 -0.002 0.000 0.269 148 L C -0.324 176.650 176.870 0.173 0.000 0.967 148 L CA -0.050 54.926 54.840 0.227 0.000 0.851 148 L CB 1.431 43.709 42.059 0.364 0.000 1.242 148 L HN 0.892 nan 8.230 nan 0.000 0.404 149 A N 5.102 128.029 122.820 0.178 0.000 2.276 149 A HA 0.951 5.270 4.320 -0.002 0.000 0.316 149 A C -0.442 177.393 177.584 0.418 0.000 1.229 149 A CA -0.477 51.683 52.037 0.206 0.000 0.851 149 A CB 0.662 19.706 19.000 0.074 0.000 1.165 149 A HN 0.841 nan 8.150 nan 0.000 0.513 150 R N 0.492 121.224 120.500 0.386 0.000 2.795 150 R HA 0.768 5.107 4.340 -0.002 0.000 0.268 150 R C 0.565 177.022 176.300 0.261 0.000 1.041 150 R CA -0.272 56.014 56.100 0.310 0.000 0.927 150 R CB 0.464 30.864 30.300 0.167 0.000 1.235 150 R HN 1.916 nan 8.270 nan 0.000 0.463 151 G N -0.293 108.565 108.800 0.097 0.000 2.153 151 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.252 151 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.252 151 G C -0.275 174.715 174.900 0.151 0.000 0.994 151 G CA 0.860 46.007 45.100 0.079 0.000 0.698 151 G HN 0.681 nan 8.290 nan 0.000 0.521 152 F N -1.617 118.432 119.950 0.165 0.000 2.403 152 F HA 0.899 5.425 4.527 -0.002 0.000 0.326 152 F C -0.324 175.774 175.800 0.497 0.000 1.081 152 F CA -2.729 55.388 58.000 0.195 0.000 1.041 152 F CB 1.232 40.299 39.000 0.112 0.000 1.234 152 F HN 0.183 nan 8.300 nan 0.000 0.503 153 F N 1.668 121.931 119.950 0.522 0.000 2.660 153 F HA 0.477 5.002 4.527 -0.002 0.000 0.320 153 F C -3.031 173.057 175.800 0.481 0.000 1.099 153 F CA -1.819 56.474 58.000 0.488 0.000 1.061 153 F CB 1.566 40.757 39.000 0.319 0.000 1.300 153 F HN 0.302 nan 8.300 nan 0.000 0.479 154 P HA 0.141 nan 4.420 nan 0.000 0.293 154 P C -0.735 176.585 177.300 0.034 0.000 1.298 154 P CA 0.028 62.848 63.100 -0.467 0.000 0.757 154 P CB 0.523 31.872 31.700 -0.585 0.000 1.262 155 D N -1.106 119.173 120.400 -0.201 0.000 3.038 155 D HA -0.035 4.604 4.640 -0.002 0.000 0.243 155 D C -0.389 176.012 176.300 0.169 0.000 1.245 155 D CA 0.166 54.110 54.000 -0.095 0.000 0.871 155 D CB -1.260 38.971 40.800 -0.947 0.000 1.089 155 D HN 0.493 nan 8.370 nan 0.000 0.464 156 H N 0.371 119.411 119.070 -0.051 0.000 2.726 156 H HA 0.340 4.894 4.556 -0.002 0.000 0.244 156 H C 0.066 175.370 175.328 -0.041 0.000 1.669 156 H CA -0.801 55.193 56.048 -0.089 0.000 1.293 156 H CB 0.600 30.260 29.762 -0.169 0.000 1.640 156 H HN 0.154 nan 8.280 nan 0.000 0.553 157 V N -0.144 119.811 119.914 0.068 0.000 3.078 157 V HA 0.593 4.712 4.120 -0.002 0.000 0.311 157 V C -0.707 175.386 176.094 -0.002 0.000 1.138 157 V CA -1.133 61.152 62.300 -0.025 0.000 1.007 157 V CB 2.963 34.604 31.823 -0.304 0.000 1.045 157 V HN 0.412 nan 8.190 nan 0.000 0.432 158 E N 1.836 122.027 120.200 -0.015 0.000 2.263 158 E HA 0.674 5.022 4.350 -0.002 0.000 0.268 158 E C -1.360 175.222 176.600 -0.030 0.000 0.884 158 E CA -0.340 56.066 56.400 0.010 0.000 0.766 158 E CB 2.639 32.379 29.700 0.067 0.000 1.196 158 E HN 0.859 nan 8.360 nan 0.000 0.416 159 L N 2.370 123.572 121.223 -0.035 0.000 2.334 159 L HA 0.773 5.112 4.340 -0.002 0.000 0.276 159 L C -1.011 175.815 176.870 -0.073 0.000 1.014 159 L CA -0.251 54.534 54.840 -0.091 0.000 0.815 159 L CB 1.236 43.223 42.059 -0.121 0.000 1.268 159 L HN 0.785 nan 8.230 nan 0.000 0.428 160 S N 1.466 117.096 115.700 -0.117 0.000 2.607 160 S HA 0.604 5.073 4.470 -0.002 0.000 0.273 160 S C -1.797 172.735 174.600 -0.113 0.000 1.148 160 S CA -0.833 57.340 58.200 -0.045 0.000 0.833 160 S CB 1.098 64.389 63.200 0.151 0.000 1.130 160 S HN 0.606 nan 8.310 nan 0.000 0.470 161 W N 0.300 121.614 121.300 0.024 0.000 2.587 161 W HA 0.662 5.320 4.660 -0.002 0.000 0.324 161 W C -1.716 174.791 176.519 -0.020 0.000 1.040 161 W CA -0.327 57.062 57.345 0.075 0.000 1.222 161 W CB 1.657 31.110 29.460 -0.011 0.000 1.381 161 W HN 0.669 nan 8.180 nan 0.000 0.483 162 W N 4.353 125.807 121.300 0.257 0.000 2.517 162 W HA 0.456 5.115 4.660 -0.002 0.000 0.301 162 W C -0.573 176.022 176.519 0.126 0.000 1.002 162 W CA -1.292 56.132 57.345 0.131 0.000 1.415 162 W CB 0.795 30.299 29.460 0.073 0.000 1.275 162 W HN 0.130 nan 8.180 nan 0.000 0.413 163 V N 1.857 121.907 119.914 0.227 0.000 2.368 163 V HA 0.456 4.575 4.120 -0.002 0.000 0.266 163 V C 0.405 176.545 176.094 0.077 0.000 1.045 163 V CA -0.755 61.593 62.300 0.080 0.000 0.899 163 V CB 0.921 32.765 31.823 0.035 0.000 1.006 163 V HN 0.703 nan 8.190 nan 0.000 0.470 164 N N 4.004 122.731 118.700 0.044 0.000 2.783 164 N HA -0.163 4.576 4.740 -0.002 0.000 0.247 164 N C 1.103 176.666 175.510 0.089 0.000 1.089 164 N CA 1.539 54.609 53.050 0.034 0.000 0.690 164 N CB -1.431 37.072 38.487 0.025 0.000 0.991 164 N HN 2.072 nan 8.380 nan 0.000 0.552 165 G N -2.621 106.273 108.800 0.156 0.000 2.168 165 G HA2 -0.137 3.821 3.960 -0.002 0.000 0.263 165 G HA3 -0.137 3.821 3.960 -0.002 0.000 0.263 165 G C 0.115 175.233 174.900 0.363 0.000 0.977 165 G CA 1.594 46.814 45.100 0.200 0.000 0.659 165 G HN 1.131 nan 8.290 nan 0.000 0.533 166 K N 0.189 120.780 120.400 0.319 0.000 2.378 166 K HA 0.827 5.146 4.320 -0.002 0.000 0.252 166 K C -0.092 176.468 176.600 -0.066 0.000 0.931 166 K CA 0.056 56.449 56.287 0.176 0.000 0.794 166 K CB 1.373 33.910 32.500 0.061 0.000 1.181 166 K HN 0.633 nan 8.250 nan 0.000 0.425 167 E N 1.492 121.303 120.200 -0.647 0.000 2.324 167 E HA 0.332 4.681 4.350 -0.002 0.000 0.271 167 E C 0.091 176.330 176.600 -0.601 0.000 1.028 167 E CA -0.319 55.388 56.400 -1.156 0.000 0.890 167 E CB 0.698 29.410 29.700 -1.648 0.000 1.004 167 E HN 0.560 nan 8.360 nan 0.000 0.431 168 V N 2.400 122.009 119.914 -0.508 0.000 2.994 168 V HA 0.429 4.547 4.120 -0.002 0.000 0.318 168 V C 0.165 175.924 176.094 -0.558 0.000 1.085 168 V CA -0.372 61.717 62.300 -0.352 0.000 0.998 168 V CB 1.810 33.536 31.823 -0.162 0.000 1.063 168 V HN 0.866 nan 8.190 nan 0.000 0.447 169 H N -0.508 118.518 119.070 -0.074 0.000 3.580 169 H HA 0.274 4.829 4.556 -0.002 0.000 0.245 169 H C 0.584 175.879 175.328 -0.054 0.000 1.015 169 H CA 0.276 56.296 56.048 -0.045 0.000 1.113 169 H CB 0.792 30.521 29.762 -0.054 0.000 1.469 169 H HN 0.638 nan 8.280 nan 0.000 0.554 170 S N 0.846 116.560 115.700 0.024 0.000 2.466 170 S HA 0.305 4.773 4.470 -0.002 0.000 0.286 170 S C 1.285 175.832 174.600 -0.089 0.000 1.221 170 S CA 0.780 58.959 58.200 -0.034 0.000 1.091 170 S CB 0.433 63.597 63.200 -0.061 0.000 0.956 170 S HN 0.766 nan 8.310 nan 0.000 0.501 171 G N 2.163 110.917 108.800 -0.076 0.000 2.175 171 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.244 171 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.244 171 G C 0.082 174.907 174.900 -0.126 0.000 0.982 171 G CA -0.186 44.845 45.100 -0.115 0.000 0.641 171 G HN 0.680 nan 8.290 nan 0.000 0.527 172 V N 0.997 120.873 119.914 -0.063 0.000 2.530 172 V HA 0.629 4.748 4.120 -0.002 0.000 0.282 172 V C 0.715 176.842 176.094 0.056 0.000 1.048 172 V CA 0.770 63.077 62.300 0.011 0.000 0.997 172 V CB 1.686 33.592 31.823 0.138 0.000 0.987 172 V HN 0.504 nan 8.190 nan 0.000 0.477 173 S N 3.617 119.370 115.700 0.087 0.000 2.395 173 S HA 0.391 4.860 4.470 -0.002 0.000 0.207 173 S C -0.077 174.598 174.600 0.125 0.000 1.454 173 S CA -0.497 57.749 58.200 0.077 0.000 1.211 173 S CB 0.329 63.549 63.200 0.034 0.000 1.093 173 S HN 0.844 nan 8.310 nan 0.000 0.472 174 T N 2.886 117.518 114.554 0.130 0.000 2.918 174 T HA 0.332 4.681 4.350 -0.002 0.000 0.283 174 T C -0.363 174.392 174.700 0.092 0.000 1.001 174 T CA -0.565 61.612 62.100 0.128 0.000 1.041 174 T CB 0.632 69.571 68.868 0.118 0.000 1.028 174 T HN 0.422 nan 8.240 nan 0.000 0.511 175 D N 3.138 123.594 120.400 0.093 0.000 2.424 175 D HA 0.121 4.760 4.640 -0.002 0.000 0.244 175 D C -0.736 175.606 176.300 0.070 0.000 1.134 175 D CA -1.595 52.454 54.000 0.081 0.000 0.881 175 D CB 0.948 41.806 40.800 0.097 0.000 1.191 175 D HN 0.272 nan 8.370 nan 0.000 0.445 176 P HA -0.186 nan 4.420 nan 0.000 0.218 176 P C 0.047 177.375 177.300 0.048 0.000 1.148 176 P CA 1.085 64.210 63.100 0.043 0.000 0.822 176 P CB 0.712 32.430 31.700 0.031 0.000 0.784 177 Q N -1.911 117.928 119.800 0.065 0.000 2.545 177 Q HA 0.527 4.866 4.340 -0.002 0.000 0.273 177 Q C -1.641 174.427 176.000 0.113 0.000 0.975 177 Q CA -0.716 55.131 55.803 0.074 0.000 0.876 177 Q CB 1.653 30.425 28.738 0.057 0.000 1.472 177 Q HN 0.041 nan 8.270 nan 0.000 0.389 178 A N 1.069 123.975 122.820 0.143 0.000 2.520 178 A HA 0.477 4.796 4.320 -0.002 0.000 0.235 178 A C -0.594 177.148 177.584 0.262 0.000 1.065 178 A CA 0.937 53.111 52.037 0.229 0.000 0.764 178 A CB -0.374 18.803 19.000 0.296 0.000 1.002 178 A HN 0.854 nan 8.150 nan 0.000 0.502 179 Y N -0.892 119.560 120.300 0.254 0.000 2.487 179 Y HA 0.711 5.259 4.550 -0.002 0.000 0.337 179 Y C 0.413 176.391 175.900 0.131 0.000 1.076 179 Y CA -0.921 57.291 58.100 0.187 0.000 1.115 179 Y CB 0.259 38.778 38.460 0.098 0.000 1.235 179 Y HN 1.364 nan 8.280 nan 0.000 0.468 180 K N 1.681 122.068 120.400 -0.022 0.000 2.312 180 K HA 0.400 4.719 4.320 -0.002 0.000 0.287 180 K C 0.327 176.829 176.600 -0.163 0.000 1.062 180 K CA 0.163 56.287 56.287 -0.272 0.000 0.934 180 K CB -0.314 31.984 32.500 -0.336 0.000 1.027 180 K HN 1.010 nan 8.250 nan 0.000 0.478 181 E N 0.443 120.542 120.200 -0.169 0.000 2.474 181 E HA 0.058 4.407 4.350 -0.002 0.000 0.194 181 E C 0.536 177.069 176.600 -0.112 0.000 1.041 181 E CA 0.609 56.947 56.400 -0.102 0.000 0.874 181 E CB 0.134 29.792 29.700 -0.069 0.000 0.914 181 E HN 0.580 nan 8.360 nan 0.000 0.498 190 Y N 1.651 121.742 120.300 -0.349 0.000 2.496 190 Y HA 0.766 5.315 4.550 -0.002 0.000 0.331 190 Y C 0.672 176.155 175.900 -0.694 0.000 1.140 190 Y CA -0.477 57.255 58.100 -0.613 0.000 1.166 190 Y CB 1.641 39.541 38.460 -0.933 0.000 1.249 190 Y HN 0.829 nan 8.280 nan 0.000 0.479 191 C N 3.384 122.634 119.300 -0.085 0.000 2.889 191 C HA 0.907 5.365 4.460 -0.002 0.000 0.307 191 C C -1.757 173.416 174.990 0.304 0.000 1.251 191 C CA -0.767 58.327 59.018 0.127 0.000 1.593 191 C CB 0.835 28.627 27.740 0.087 0.000 2.104 191 C HN 0.811 nan 8.230 nan 0.000 0.476 192 L N 4.291 125.721 121.223 0.346 0.000 2.641 192 L HA 0.641 4.980 4.340 -0.002 0.000 0.261 192 L C -0.319 176.670 176.870 0.198 0.000 0.926 192 L CA 0.329 55.341 54.840 0.285 0.000 0.917 192 L CB 1.954 44.225 42.059 0.354 0.000 1.361 192 L HN 1.020 nan 8.230 nan 0.000 0.417 193 S N 2.373 118.166 115.700 0.155 0.000 2.677 193 S HA 0.988 5.457 4.470 -0.002 0.000 0.304 193 S C -0.545 174.138 174.600 0.139 0.000 1.108 193 S CA -0.469 57.817 58.200 0.144 0.000 0.944 193 S CB 1.981 65.264 63.200 0.138 0.000 1.127 193 S HN 0.934 nan 8.310 nan 0.000 0.511 194 S N -0.365 115.445 115.700 0.182 0.000 2.570 194 S HA 0.719 5.188 4.470 -0.002 0.000 0.270 194 S C -1.852 172.970 174.600 0.370 0.000 1.149 194 S CA -0.869 57.491 58.200 0.267 0.000 0.837 194 S CB 1.325 64.683 63.200 0.264 0.000 1.124 194 S HN 0.814 nan 8.310 nan 0.000 0.465 195 R N 1.173 121.868 120.500 0.326 0.000 2.621 195 R HA 0.646 4.984 4.340 -0.002 0.000 0.284 195 R C -1.751 174.487 176.300 -0.104 0.000 0.998 195 R CA -0.671 55.511 56.100 0.137 0.000 0.895 195 R CB 1.856 32.182 30.300 0.043 0.000 1.195 195 R HN 0.432 nan 8.270 nan 0.000 0.450 196 L N 2.055 123.005 121.223 -0.454 0.000 2.345 196 L HA 0.581 4.920 4.340 -0.002 0.000 0.274 196 L C -0.428 176.160 176.870 -0.470 0.000 0.999 196 L CA -0.225 54.178 54.840 -0.729 0.000 0.849 196 L CB 1.241 42.368 42.059 -1.552 0.000 1.220 196 L HN 0.749 nan 8.230 nan 0.000 0.422 197 R N 4.581 124.896 120.500 -0.309 0.000 2.216 197 R HA 0.711 5.050 4.340 -0.002 0.000 0.332 197 R C -0.483 175.693 176.300 -0.206 0.000 1.056 197 R CA 0.209 56.172 56.100 -0.229 0.000 0.901 197 R CB 0.030 30.237 30.300 -0.155 0.000 1.039 197 R HN 0.825 nan 8.270 nan 0.000 0.456 198 V N -0.762 119.047 119.914 -0.176 0.000 3.181 198 V HA 0.847 4.966 4.120 -0.002 0.000 0.314 198 V C 0.425 176.506 176.094 -0.022 0.000 1.173 198 V CA -0.368 61.867 62.300 -0.107 0.000 1.052 198 V CB 2.046 33.892 31.823 0.037 0.000 1.123 198 V HN 1.051 nan 8.190 nan 0.000 0.454 199 S N 0.571 116.303 115.700 0.052 0.000 2.580 199 S HA 0.587 5.056 4.470 -0.002 0.000 0.274 199 S C 1.265 175.957 174.600 0.154 0.000 1.329 199 S CA 0.035 58.294 58.200 0.099 0.000 1.036 199 S CB 1.132 64.408 63.200 0.126 0.000 0.919 199 S HN 1.859 nan 8.310 nan 0.000 0.515 200 A N 2.852 125.719 122.820 0.078 0.000 1.908 200 A HA -0.069 4.250 4.320 -0.002 0.000 0.218 200 A C 2.232 179.843 177.584 0.044 0.000 1.181 200 A CA 2.197 54.234 52.037 0.001 0.000 0.627 200 A CB -1.862 17.176 19.000 0.063 0.000 0.818 200 A HN 0.898 nan 8.150 nan 0.000 0.445 201 T N -1.110 113.546 114.554 0.170 0.000 2.821 201 T HA -0.098 4.250 4.350 -0.002 0.000 0.267 201 T C 1.590 176.417 174.700 0.213 0.000 1.046 201 T CA 1.407 63.628 62.100 0.202 0.000 1.139 201 T CB -0.366 68.603 68.868 0.169 0.000 0.871 201 T HN 0.441 nan 8.240 nan 0.000 0.454 202 F N 0.826 120.857 119.950 0.135 0.000 2.075 202 F HA -0.060 4.466 4.527 -0.002 0.000 0.297 202 F C 2.283 178.270 175.800 0.310 0.000 1.113 202 F CA 1.275 59.392 58.000 0.195 0.000 1.218 202 F CB -0.330 38.791 39.000 0.203 0.000 0.984 202 F HN 0.280 nan 8.300 nan 0.000 0.472 203 W N 0.695 122.146 121.300 0.252 0.000 2.363 203 W HA -0.232 4.428 4.660 -0.001 0.000 0.296 203 W C 1.717 178.284 176.519 0.080 0.000 1.212 203 W CA 2.031 59.436 57.345 0.100 0.000 1.260 203 W CB -0.729 28.622 29.460 -0.182 0.000 1.131 203 W HN 0.224 nan 8.180 nan 0.000 0.530 204 H N -0.368 118.693 119.070 -0.015 0.000 2.555 204 H HA -0.037 4.518 4.556 -0.002 0.000 0.269 204 H C 0.487 175.726 175.328 -0.148 0.000 0.988 204 H CA 0.017 55.975 56.048 -0.149 0.000 1.178 204 H CB -0.105 29.656 29.762 -0.001 0.000 1.373 204 H HN -0.135 nan 8.280 nan 0.000 0.588 205 N N 2.278 120.960 118.700 -0.029 0.000 2.415 205 N HA -0.002 4.737 4.740 -0.002 0.000 0.246 205 N C -1.796 173.659 175.510 -0.093 0.000 1.078 205 N CA -2.251 50.755 53.050 -0.074 0.000 0.942 205 N CB 0.987 39.390 38.487 -0.140 0.000 1.140 205 N HN 0.141 nan 8.380 nan 0.000 0.501 206 P HA -0.097 nan 4.420 nan 0.000 0.236 206 P C 0.788 178.111 177.300 0.039 0.000 1.172 206 P CA 0.543 63.616 63.100 -0.044 0.000 0.759 206 P CB 0.540 32.184 31.700 -0.093 0.000 0.843 207 R N -0.218 120.303 120.500 0.034 0.000 2.254 207 R HA 0.141 4.480 4.340 -0.002 0.000 0.195 207 R C 0.601 177.055 176.300 0.256 0.000 0.957 207 R CA 0.137 56.303 56.100 0.111 0.000 1.024 207 R CB -0.539 29.769 30.300 0.013 0.000 0.952 207 R HN 0.103 nan 8.270 nan 0.000 0.484 208 N N 0.577 119.297 118.700 0.034 0.000 2.529 208 N HA -0.002 4.737 4.740 -0.002 0.000 0.278 208 N C -0.982 174.380 175.510 -0.248 0.000 1.146 208 N CA 0.112 53.004 53.050 -0.263 0.000 0.980 208 N CB 0.726 38.712 38.487 -0.836 0.000 1.124 208 N HN 0.205 nan 8.380 nan 0.000 0.458 209 H N 2.187 120.830 119.070 -0.711 0.000 2.529 209 H HA 0.359 4.914 4.556 -0.002 0.000 0.348 209 H C -1.110 173.807 175.328 -0.685 0.000 1.079 209 H CA -0.412 55.058 56.048 -0.963 0.000 1.198 209 H CB 0.577 29.544 29.762 -1.324 0.000 1.521 209 H HN 0.304 nan 8.280 nan 0.000 0.514 210 F N 3.109 122.690 119.950 -0.615 0.000 2.507 210 F HA 0.542 5.068 4.527 -0.002 0.000 0.327 210 F C 0.406 176.033 175.800 -0.288 0.000 1.068 210 F CA -0.842 57.050 58.000 -0.180 0.000 0.965 210 F CB 1.660 40.720 39.000 0.100 0.000 1.192 210 F HN 0.424 nan 8.300 nan 0.000 0.476 211 R N 0.997 121.679 120.500 0.303 0.000 2.536 211 R HA 0.554 4.893 4.340 -0.002 0.000 0.269 211 R C -2.194 174.230 176.300 0.208 0.000 1.113 211 R CA -0.507 55.708 56.100 0.191 0.000 0.948 211 R CB 1.522 31.905 30.300 0.139 0.000 1.237 211 R HN 0.898 nan 8.270 nan 0.000 0.441 212 c N 4.926 123.457 118.600 -0.116 0.000 2.264 212 c HA 0.449 5.018 4.570 -0.002 0.000 0.322 212 c C -0.346 173.561 174.090 -0.304 0.000 1.210 212 c CA -0.265 55.743 56.329 -0.535 0.000 1.539 212 c CB 0.619 42.662 42.510 -0.778 0.000 2.167 212 c HN 0.845 nan 8.230 nan 0.000 0.463 213 Q N 3.241 122.919 119.800 -0.203 0.000 2.235 213 Q HA 0.629 4.968 4.340 -0.002 0.000 0.250 213 Q C -0.951 174.958 176.000 -0.152 0.000 0.909 213 Q CA -0.320 55.391 55.803 -0.153 0.000 0.910 213 Q CB 2.082 30.760 28.738 -0.100 0.000 1.223 213 Q HN 0.657 nan 8.270 nan 0.000 0.432 214 V N 3.186 123.013 119.914 -0.145 0.000 2.488 214 V HA 0.133 4.252 4.120 -0.002 0.000 0.293 214 V C -0.650 175.369 176.094 -0.125 0.000 1.027 214 V CA -0.770 61.443 62.300 -0.144 0.000 0.862 214 V CB 1.712 33.428 31.823 -0.178 0.000 1.008 214 V HN 0.675 nan 8.190 nan 0.000 0.428 215 Q N 3.887 123.622 119.800 -0.108 0.000 2.377 215 Q HA 0.377 4.716 4.340 -0.002 0.000 0.249 215 Q C -1.168 174.704 176.000 -0.215 0.000 1.005 215 Q CA -0.235 55.472 55.803 -0.159 0.000 0.912 215 Q CB 1.448 30.124 28.738 -0.103 0.000 1.223 215 Q HN 0.665 nan 8.270 nan 0.000 0.459 216 F N 4.431 124.148 119.950 -0.388 0.000 2.420 216 F HA 0.294 4.819 4.527 -0.002 0.000 0.342 216 F C -0.467 175.096 175.800 -0.395 0.000 1.113 216 F CA -0.621 57.187 58.000 -0.320 0.000 1.059 216 F CB 0.808 39.676 39.000 -0.221 0.000 1.128 216 F HN 0.408 nan 8.300 nan 0.000 0.475 217 H N 5.776 124.413 119.070 -0.722 0.000 2.673 217 H HA 0.361 4.916 4.556 -0.002 0.000 0.293 217 H C 0.304 175.121 175.328 -0.851 0.000 1.065 217 H CA -0.254 55.475 56.048 -0.531 0.000 1.236 217 H CB 0.992 30.631 29.762 -0.205 0.000 1.389 217 H HN 0.901 nan 8.280 nan 0.000 0.481 218 G N 2.506 110.977 108.800 -0.548 0.000 3.271 218 G HA2 0.259 4.218 3.960 -0.002 0.000 0.174 218 G HA3 0.259 4.218 3.960 -0.002 0.000 0.174 218 G C 0.049 174.893 174.900 -0.094 0.000 1.385 218 G CA -0.534 44.385 45.100 -0.302 0.000 0.979 218 G HN 0.253 nan 8.290 nan 0.000 0.610 219 L N 0.807 122.019 121.223 -0.018 0.000 2.472 219 L HA 0.452 4.790 4.340 -0.002 0.000 0.260 219 L C 1.033 177.902 176.870 -0.002 0.000 1.209 219 L CA -0.121 54.720 54.840 0.003 0.000 0.817 219 L CB 0.591 42.661 42.059 0.019 0.000 1.106 219 L HN 0.701 nan 8.230 nan 0.000 0.479 220 S N -0.863 114.850 115.700 0.021 0.000 2.851 220 S HA 0.602 5.071 4.470 -0.002 0.000 0.317 220 S C 0.814 175.433 174.600 0.032 0.000 1.144 220 S CA 0.035 58.247 58.200 0.020 0.000 0.862 220 S CB 1.214 64.429 63.200 0.025 0.000 1.259 220 S HN 0.567 nan 8.310 nan 0.000 0.564 221 E N -0.277 119.940 120.200 0.029 0.000 2.153 221 E HA -0.016 4.333 4.350 -0.002 0.000 0.194 221 E C 2.040 178.666 176.600 0.043 0.000 0.988 221 E CA 2.065 58.486 56.400 0.035 0.000 0.811 221 E CB -1.853 27.863 29.700 0.027 0.000 0.746 221 E HN 0.961 nan 8.360 nan 0.000 0.466 222 E N 1.012 121.235 120.200 0.038 0.000 2.285 222 E HA 0.064 4.413 4.350 -0.002 0.000 0.194 222 E C 0.664 177.294 176.600 0.049 0.000 0.997 222 E CA 0.596 57.018 56.400 0.037 0.000 0.845 222 E CB -0.371 29.346 29.700 0.028 0.000 0.782 222 E HN 0.697 nan 8.360 nan 0.000 0.491 223 D N 0.028 120.466 120.400 0.063 0.000 2.350 223 D HA 0.262 4.901 4.640 -0.002 0.000 0.249 223 D C -0.056 176.319 176.300 0.124 0.000 1.119 223 D CA -0.062 53.991 54.000 0.089 0.000 0.886 223 D CB 1.419 42.278 40.800 0.098 0.000 1.195 223 D HN 0.229 nan 8.370 nan 0.000 0.437 224 K N 3.295 123.765 120.400 0.117 0.000 2.250 224 K HA 0.071 4.389 4.320 -0.002 0.000 0.285 224 K C -0.865 175.842 176.600 0.177 0.000 1.097 224 K CA -0.707 55.650 56.287 0.116 0.000 0.913 224 K CB 0.413 32.947 32.500 0.057 0.000 1.179 224 K HN 0.543 nan 8.250 nan 0.000 0.462 225 W N 7.107 128.418 121.300 0.018 0.000 2.322 225 W HA 0.269 4.928 4.660 -0.002 0.000 0.307 225 W C -2.350 174.179 176.519 0.017 0.000 1.220 225 W CA -2.398 54.960 57.345 0.021 0.000 1.210 225 W CB 1.006 30.481 29.460 0.025 0.000 1.223 225 W HN 0.464 nan 8.180 nan 0.000 0.511 226 P HA -0.068 nan 4.420 nan 0.000 0.263 226 P C -0.225 176.523 177.300 -0.919 0.000 1.247 226 P CA 0.628 63.241 63.100 -0.811 0.000 0.876 226 P CB 0.094 31.314 31.700 -0.799 0.000 0.928 227 E N 2.623 122.571 120.200 -0.420 0.000 2.568 227 E HA 0.105 4.454 4.350 -0.002 0.000 0.262 227 E C 1.094 177.610 176.600 -0.140 0.000 0.961 227 E CA 1.084 57.378 56.400 -0.177 0.000 0.945 227 E CB -0.040 29.625 29.700 -0.058 0.000 0.924 227 E HN 0.634 nan 8.360 nan 0.000 0.467 228 G N 3.111 111.916 108.800 0.008 0.000 2.483 228 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.196 228 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.196 228 G C -0.117 174.866 174.900 0.139 0.000 2.335 228 G CA -0.027 45.093 45.100 0.033 0.000 1.576 228 G HN 0.622 nan 8.290 nan 0.000 0.499 229 S N 3.999 119.816 115.700 0.194 0.000 2.600 229 S HA 0.538 5.006 4.470 -0.002 0.000 0.265 229 S C -2.119 172.797 174.600 0.526 0.000 1.325 229 S CA -0.136 58.268 58.200 0.340 0.000 1.002 229 S CB 1.195 64.641 63.200 0.411 0.000 0.921 229 S HN 0.610 nan 8.310 nan 0.000 0.554 230 P HA 0.102 nan 4.420 nan 0.000 0.276 230 P C -0.892 176.248 177.300 -0.266 0.000 1.230 230 P CA -0.362 62.784 63.100 0.077 0.000 0.776 230 P CB 0.473 32.178 31.700 0.008 0.000 0.888 231 K N 4.742 124.795 120.400 -0.579 0.000 2.310 231 K HA 0.207 4.526 4.320 -0.002 0.000 0.290 231 K C -2.159 174.042 176.600 -0.665 0.000 1.077 231 K CA -1.912 53.598 56.287 -1.294 0.000 0.922 231 K CB 0.011 31.911 32.500 -0.999 0.000 1.057 231 K HN 0.241 nan 8.250 nan 0.000 0.479 232 P HA -0.052 nan 4.420 nan 0.000 0.248 232 P C -0.095 177.134 177.300 -0.119 0.000 1.550 232 P CA 0.141 63.087 63.100 -0.257 0.000 1.252 232 P CB 0.115 31.721 31.700 -0.157 0.000 1.869 233 V N 2.470 122.313 119.914 -0.118 0.000 3.099 233 V HA 0.074 4.193 4.120 -0.002 0.000 0.356 233 V C 0.573 176.662 176.094 -0.009 0.000 1.364 233 V CA 0.226 62.494 62.300 -0.053 0.000 1.229 233 V CB -0.652 31.125 31.823 -0.076 0.000 1.227 233 V HN 0.296 nan 8.190 nan 0.000 0.493 234 T N 0.642 115.210 114.554 0.023 0.000 2.680 234 T HA 0.205 4.554 4.350 -0.002 0.000 0.314 234 T C 0.380 175.112 174.700 0.054 0.000 1.045 234 T CA 0.280 62.390 62.100 0.017 0.000 1.025 234 T CB 1.424 70.275 68.868 -0.028 0.000 1.000 234 T HN 0.607 nan 8.240 nan 0.000 0.535 235 Q N -0.273 119.528 119.800 0.001 0.000 1.668 235 Q HA 0.267 4.606 4.340 -0.002 0.000 0.149 235 Q C -0.051 175.903 176.000 -0.078 0.000 0.412 235 Q CA -0.560 55.214 55.803 -0.048 0.000 0.676 235 Q CB 0.474 29.174 28.738 -0.063 0.000 0.893 235 Q HN 0.585 nan 8.270 nan 0.000 0.213 236 N N 1.413 120.058 118.700 -0.092 0.000 2.422 236 N HA 0.355 5.094 4.740 -0.002 0.000 0.266 236 N C -1.247 174.198 175.510 -0.109 0.000 1.007 236 N CA 0.081 53.066 53.050 -0.109 0.000 0.941 236 N CB 0.646 39.060 38.487 -0.122 0.000 1.115 236 N HN 0.230 nan 8.380 nan 0.000 0.492 237 I N 1.817 122.317 120.570 -0.116 0.000 2.460 237 I HA 0.264 4.433 4.170 -0.002 0.000 0.298 237 I C -0.077 175.964 176.117 -0.127 0.000 0.989 237 I CA -0.510 60.722 61.300 -0.114 0.000 1.173 237 I CB 1.914 39.843 38.000 -0.117 0.000 1.338 237 I HN 0.392 nan 8.210 nan 0.000 0.456 238 S N 3.553 119.184 115.700 -0.114 0.000 2.599 238 S HA 0.823 5.292 4.470 -0.002 0.000 0.287 238 S C -0.794 173.749 174.600 -0.096 0.000 1.105 238 S CA -0.727 57.401 58.200 -0.120 0.000 0.899 238 S CB 2.162 65.292 63.200 -0.118 0.000 1.100 238 S HN 0.704 nan 8.310 nan 0.000 0.482 239 A N 1.913 124.672 122.820 -0.103 0.000 2.340 239 A HA 0.696 5.015 4.320 -0.002 0.000 0.297 239 A C -0.613 176.947 177.584 -0.041 0.000 1.195 239 A CA -0.667 51.320 52.037 -0.082 0.000 0.769 239 A CB 0.583 19.506 19.000 -0.130 0.000 1.163 239 A HN 0.747 nan 8.150 nan 0.000 0.472 240 E N 0.705 120.899 120.200 -0.011 0.000 2.249 240 E HA 0.826 5.175 4.350 -0.002 0.000 0.263 240 E C -0.179 176.418 176.600 -0.006 0.000 0.950 240 E CA -0.685 55.692 56.400 -0.038 0.000 0.827 240 E CB 2.252 31.975 29.700 0.038 0.000 1.220 240 E HN 0.960 nan 8.360 nan 0.000 0.411 241 A N 0.891 123.644 122.820 -0.112 0.000 2.586 241 A HA 0.642 4.961 4.320 -0.002 0.000 0.290 241 A C -2.188 175.405 177.584 0.015 0.000 1.086 241 A CA -0.783 51.318 52.037 0.108 0.000 0.665 241 A CB 0.812 19.992 19.000 0.301 0.000 1.279 241 A HN 0.580 nan 8.150 nan 0.000 0.423 242 W N -0.496 120.915 121.300 0.185 0.000 2.902 242 W HA 0.578 5.238 4.660 -0.001 0.000 0.346 242 W C 0.713 177.142 176.519 -0.150 0.000 1.139 242 W CA -0.026 57.385 57.345 0.110 0.000 1.139 242 W CB 1.817 31.307 29.460 0.050 0.000 1.439 242 W HN 1.141 nan 8.180 nan 0.000 0.558 243 G N 0.973 109.846 108.800 0.120 0.000 2.380 243 G HA2 0.460 4.419 3.960 -0.002 0.000 0.242 243 G HA3 0.460 4.419 3.960 -0.002 0.000 0.242 243 G C -0.299 174.324 174.900 -0.462 0.000 1.298 243 G CA -0.356 44.514 45.100 -0.384 0.000 0.878 243 G HN 0.672 nan 8.290 nan 0.000 0.542 244 R N 0.917 120.934 120.500 -0.805 0.000 2.643 244 R HA 0.876 5.214 4.340 -0.002 0.000 0.272 244 R C 0.791 176.992 176.300 -0.164 0.000 0.995 244 R CA -0.043 55.846 56.100 -0.352 0.000 1.032 244 R CB 0.404 30.577 30.300 -0.212 0.000 1.126 244 R HN 1.885 nan 8.270 nan 0.000 0.505 245 A N 0.790 123.543 122.820 -0.112 0.000 2.609 245 A HA 0.407 4.726 4.320 -0.002 0.000 0.235 245 A C 0.971 178.369 177.584 -0.311 0.000 1.092 245 A CA 0.625 52.581 52.037 -0.134 0.000 0.780 245 A CB -1.025 17.912 19.000 -0.104 0.000 1.031 245 A HN 1.516 nan 8.150 nan 0.000 0.515 250 L N 0.000 121.317 121.223 0.157 0.000 2.949 250 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 250 L CA 0.000 54.977 54.840 0.228 0.000 0.813 250 L CB 0.000 42.264 42.059 0.341 0.000 0.961 250 L HN 0.000 nan 8.230 nan 0.000 0.502