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 3eya_1_G DATA FIRST_RESID 1 DATA SEQUENCE MKQTVAAYIA KTLESAGVKR IWGVTGDSLN GLSDSLNRMG TIEWMSTRHE DATA SEQUENCE EVAAFAAGAE AQLSGELAVC AGSCGPGNLH LINGLFDCHR NHVPVLAIAA DATA SEQUENCE HIPSSEIGSG YFQETHPQEL FRECSHYCEL VSSPEQIPQV LAIAMRKAVL DATA SEQUENCE NRGVSVVVLP GDVALKPAPE GATMHWYHAP QPVVTPEEEE LRKLAQLLRY DATA SEQUENCE SSNIALMCGS GCAGAHKELV EFAGKIKAPI VHALRGKEHV EYDNPYDVGM DATA SEQUENCE TGLIGFSSGF HTMMNADTLV LLGTQFPYRA FYPTDAKIIQ IDINPASIGA DATA SEQUENCE HSKVDMALVG DIKSTLRALL PLVEEKADRK FLDKALEDYR DARKGLDDLA DATA SEQUENCE KPSEKAIHPQ YLAQQISHFA ADDAIFTCDV GTPTVWAARY LKMNGKRRLL DATA SEQUENCE GSFNHGSMAN AMPQALGAQA TEPERQVVAM CGDGGFSMLM GDFLSVVQMK DATA SEQUENCE LPVKIVVFNN SVLGXXXXXX XXXXXXXXGT ELHDTNFARI AEACGITGIR DATA SEQUENCE VEKASEVDEA LQRAFSIDGP VLVDVVVAKE ELA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.325 176.300 0.042 0.000 1.140 1 M CA 0.000 55.327 55.300 0.044 0.000 0.988 1 M CB 0.000 32.640 32.600 0.067 0.000 1.302 2 K N 3.359 123.778 120.400 0.032 0.000 2.310 2 K HA 0.440 4.759 4.320 -0.001 0.000 0.290 2 K C -0.039 176.581 176.600 0.034 0.000 1.077 2 K CA 0.104 56.407 56.287 0.027 0.000 0.922 2 K CB 0.708 33.218 32.500 0.017 0.000 1.057 2 K HN 0.621 nan 8.250 nan 0.000 0.479 3 Q N 0.290 120.114 119.800 0.040 0.000 2.575 3 Q HA 0.328 4.667 4.340 -0.001 0.000 0.290 3 Q C -0.856 175.174 176.000 0.049 0.000 0.963 3 Q CA -1.216 54.617 55.803 0.050 0.000 0.783 3 Q CB 0.992 29.776 28.738 0.077 0.000 1.467 3 Q HN 0.464 nan 8.270 nan 0.000 0.402 4 T N -1.920 112.663 114.554 0.048 0.000 2.868 4 T HA 0.228 4.577 4.350 -0.001 0.000 0.292 4 T C 1.286 176.030 174.700 0.074 0.000 1.028 4 T CA -0.299 61.827 62.100 0.043 0.000 1.059 4 T CB 1.000 69.886 68.868 0.030 0.000 0.991 4 T HN 0.438 nan 8.240 nan 0.000 0.531 5 V N 2.134 122.082 119.914 0.058 0.000 2.324 5 V HA -0.220 3.900 4.120 -0.001 0.000 0.250 5 V C 3.071 179.244 176.094 0.130 0.000 1.060 5 V CA 2.547 64.897 62.300 0.083 0.000 1.042 5 V CB -1.635 30.216 31.823 0.046 0.000 0.650 5 V HN 1.098 nan 8.190 nan 0.000 0.450 6 A N -0.336 122.534 122.820 0.082 0.000 1.933 6 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 6 A C 2.414 180.038 177.584 0.068 0.000 1.175 6 A CA 2.045 54.123 52.037 0.068 0.000 0.628 6 A CB -0.729 18.292 19.000 0.035 0.000 0.814 6 A HN 0.599 nan 8.150 nan 0.000 0.444 7 A N -1.471 121.392 122.820 0.071 0.000 1.933 7 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 7 A C 2.121 179.748 177.584 0.072 0.000 1.175 7 A CA 1.617 53.688 52.037 0.057 0.000 0.628 7 A CB -0.806 18.227 19.000 0.054 0.000 0.814 7 A HN 0.757 nan 8.150 nan 0.000 0.444 8 Y N 0.604 120.910 120.300 0.011 0.000 2.181 8 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 8 Y C 1.964 177.870 175.900 0.010 0.000 1.146 8 Y CA 1.880 59.990 58.100 0.016 0.000 1.164 8 Y CB -0.260 38.212 38.460 0.020 0.000 0.982 8 Y HN 0.276 nan 8.280 nan 0.000 0.515 9 I N 0.188 120.789 120.570 0.052 0.000 2.179 9 I HA -0.349 3.821 4.170 -0.001 0.000 0.242 9 I C 2.704 178.751 176.117 -0.115 0.000 1.088 9 I CA 1.338 62.613 61.300 -0.042 0.000 1.357 9 I CB -0.824 37.209 38.000 0.055 0.000 1.051 9 I HN 0.357 nan 8.210 nan 0.000 0.409 10 A N 0.394 123.178 122.820 -0.060 0.000 1.902 10 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 10 A C 2.344 179.870 177.584 -0.096 0.000 1.181 10 A CA 1.428 53.431 52.037 -0.056 0.000 0.623 10 A CB -0.373 18.616 19.000 -0.019 0.000 0.818 10 A HN 0.185 nan 8.150 nan 0.000 0.443 11 K N -0.519 119.811 120.400 -0.117 0.000 2.097 11 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 11 K C 2.099 178.590 176.600 -0.182 0.000 1.049 11 K CA 1.830 58.043 56.287 -0.125 0.000 0.933 11 K CB -0.771 31.665 32.500 -0.106 0.000 0.717 11 K HN 0.536 nan 8.250 nan 0.000 0.442 12 T N 2.186 116.562 114.554 -0.297 0.000 2.777 12 T HA -0.042 4.307 4.350 -0.001 0.000 0.266 12 T C 2.029 176.569 174.700 -0.267 0.000 1.040 12 T CA 0.853 62.770 62.100 -0.305 0.000 1.141 12 T CB -0.134 68.472 68.868 -0.436 0.000 0.868 12 T HN 0.108 nan 8.240 nan 0.000 0.444 13 L N 0.874 121.951 121.223 -0.244 0.000 2.042 13 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 13 L C 2.811 179.578 176.870 -0.172 0.000 1.076 13 L CA 1.520 56.223 54.840 -0.229 0.000 0.749 13 L CB -0.590 41.376 42.059 -0.154 0.000 0.893 13 L HN 0.360 nan 8.230 nan 0.000 0.432 14 E N -0.150 119.976 120.200 -0.124 0.000 2.085 14 E HA -0.275 4.074 4.350 -0.001 0.000 0.194 14 E C 2.330 178.884 176.600 -0.076 0.000 0.994 14 E CA 1.606 57.958 56.400 -0.080 0.000 0.801 14 E CB 0.019 29.684 29.700 -0.057 0.000 0.743 14 E HN 0.326 nan 8.360 nan 0.000 0.453 15 S N -0.506 115.131 115.700 -0.105 0.000 2.402 15 S HA -0.045 4.424 4.470 -0.001 0.000 0.229 15 S C 1.832 176.372 174.600 -0.099 0.000 1.021 15 S CA 0.976 59.114 58.200 -0.103 0.000 0.974 15 S CB -0.140 62.978 63.200 -0.136 0.000 0.800 15 S HN 0.396 nan 8.310 nan 0.000 0.484 16 A N -0.196 122.504 122.820 -0.200 0.000 2.235 16 A HA 0.463 4.782 4.320 -0.001 0.000 0.208 16 A C 1.656 179.266 177.584 0.043 0.000 1.172 16 A CA 0.919 52.781 52.037 -0.292 0.000 0.786 16 A CB -1.098 17.398 19.000 -0.840 0.000 0.804 16 A HN 1.366 nan 8.150 nan 0.000 0.479 17 G N -1.182 107.629 108.800 0.018 0.000 2.157 17 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.248 17 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.248 17 G C 0.491 175.384 174.900 -0.011 0.000 0.979 17 G CA 0.485 45.606 45.100 0.034 0.000 0.650 17 G HN 1.780 nan 8.290 nan 0.000 0.529 18 V N -0.286 119.598 119.914 -0.049 0.000 2.673 18 V HA 0.565 4.684 4.120 -0.001 0.000 0.303 18 V C 1.203 177.277 176.094 -0.033 0.000 1.046 18 V CA 1.405 63.680 62.300 -0.043 0.000 1.126 18 V CB 1.134 32.921 31.823 -0.061 0.000 0.934 18 V HN 0.352 nan 8.190 nan 0.000 0.487 19 K N 5.065 125.450 120.400 -0.025 0.000 2.370 19 K HA 0.289 4.608 4.320 -0.001 0.000 0.194 19 K C 0.391 176.950 176.600 -0.067 0.000 1.070 19 K CA 0.282 56.548 56.287 -0.035 0.000 0.998 19 K CB 0.370 32.857 32.500 -0.023 0.000 0.911 19 K HN 0.896 nan 8.250 nan 0.000 0.533 20 R N 0.151 120.600 120.500 -0.084 0.000 2.692 20 R HA 0.484 4.823 4.340 -0.001 0.000 0.269 20 R C -1.423 174.765 176.300 -0.186 0.000 1.030 20 R CA -0.768 55.217 56.100 -0.192 0.000 0.882 20 R CB 0.996 31.076 30.300 -0.366 0.000 1.250 20 R HN -0.143 nan 8.270 nan 0.000 0.465 21 I N 1.153 121.564 120.570 -0.265 0.000 2.465 21 I HA 0.392 4.561 4.170 -0.001 0.000 0.291 21 I C -1.093 174.669 176.117 -0.592 0.000 1.014 21 I CA -0.740 60.426 61.300 -0.223 0.000 1.093 21 I CB 1.672 39.670 38.000 -0.004 0.000 1.267 21 I HN 0.479 nan 8.210 nan 0.000 0.431 22 W N 5.021 126.071 121.300 -0.417 0.000 2.390 22 W HA 0.702 5.361 4.660 -0.001 0.000 0.312 22 W C 0.611 176.780 176.519 -0.583 0.000 1.123 22 W CA 0.023 57.069 57.345 -0.498 0.000 1.202 22 W CB 1.604 30.911 29.460 -0.255 0.000 1.251 22 W HN 0.619 nan 8.180 nan 0.000 0.511 23 G N 0.229 108.697 108.800 -0.554 0.000 2.428 23 G HA2 0.524 4.484 3.960 -0.001 0.000 0.305 23 G HA3 0.524 4.484 3.960 -0.001 0.000 0.305 23 G C -2.156 172.775 174.900 0.052 0.000 1.260 23 G CA -0.804 44.169 45.100 -0.211 0.000 0.853 23 G HN 0.266 nan 8.290 nan 0.000 0.480 24 V N 1.039 121.149 119.914 0.326 0.000 2.709 24 V HA 0.630 4.749 4.120 -0.001 0.000 0.308 24 V C 0.872 177.236 176.094 0.451 0.000 1.062 24 V CA -0.108 62.423 62.300 0.385 0.000 0.901 24 V CB 1.414 33.365 31.823 0.215 0.000 1.003 24 V HN 1.292 nan 8.190 nan 0.000 0.425 25 T N 1.306 116.072 114.554 0.355 0.000 2.652 25 T HA 0.701 5.051 4.350 -0.001 0.000 0.319 25 T C 0.325 175.067 174.700 0.070 0.000 1.029 25 T CA 0.235 62.390 62.100 0.092 0.000 0.990 25 T CB 1.217 70.021 68.868 -0.107 0.000 1.098 25 T HN 1.528 nan 8.240 nan 0.000 0.520 26 G N -0.860 107.945 108.800 0.008 0.000 2.387 26 G HA2 0.401 4.360 3.960 -0.001 0.000 0.294 26 G HA3 0.401 4.360 3.960 -0.001 0.000 0.294 26 G C -0.438 174.462 174.900 -0.001 0.000 1.509 26 G CA -0.574 44.538 45.100 0.021 0.000 0.806 26 G HN 0.482 nan 8.290 nan 0.000 0.546 27 D N 0.188 120.599 120.400 0.018 0.000 2.182 27 D HA -0.094 4.545 4.640 -0.001 0.000 0.201 27 D C 2.697 179.006 176.300 0.014 0.000 0.986 27 D CA 1.964 55.972 54.000 0.014 0.000 0.847 27 D CB 0.135 40.958 40.800 0.038 0.000 0.942 27 D HN 0.395 nan 8.370 nan 0.000 0.467 28 S N -0.537 115.182 115.700 0.030 0.000 2.507 28 S HA -0.052 4.418 4.470 -0.001 0.000 0.235 28 S C 1.664 176.276 174.600 0.021 0.000 0.988 28 S CA 0.380 58.600 58.200 0.033 0.000 0.944 28 S CB -0.178 63.051 63.200 0.050 0.000 0.762 28 S HN 0.248 nan 8.310 nan 0.000 0.526 29 L N 0.979 122.200 121.223 -0.002 0.000 2.700 29 L HA 0.298 4.637 4.340 -0.001 0.000 0.234 29 L C 1.423 178.247 176.870 -0.076 0.000 1.156 29 L CA -0.245 54.577 54.840 -0.030 0.000 0.946 29 L CB -0.249 41.781 42.059 -0.047 0.000 1.216 29 L HN 0.120 nan 8.230 nan 0.000 0.493 30 N N 1.145 119.811 118.700 -0.057 0.000 2.069 30 N HA -0.163 4.576 4.740 -0.001 0.000 0.191 30 N C 1.947 177.420 175.510 -0.062 0.000 1.031 30 N CA 1.644 54.654 53.050 -0.067 0.000 0.852 30 N CB -0.398 38.064 38.487 -0.041 0.000 1.018 30 N HN 0.360 nan 8.380 nan 0.000 0.423 31 G N 1.160 109.940 108.800 -0.035 0.000 2.491 31 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.218 31 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.218 31 G C 1.590 176.472 174.900 -0.030 0.000 1.180 31 G CA 0.846 45.933 45.100 -0.022 0.000 0.774 31 G HN 0.282 nan 8.290 nan 0.000 0.562 32 L N 1.003 122.205 121.223 -0.035 0.000 1.994 32 L HA -0.003 4.337 4.340 -0.001 0.000 0.208 32 L C 3.025 179.838 176.870 -0.095 0.000 1.071 32 L CA 2.449 57.266 54.840 -0.037 0.000 0.745 32 L CB -0.745 41.309 42.059 -0.008 0.000 0.892 32 L HN 0.190 nan 8.230 nan 0.000 0.431 33 S N -0.300 115.290 115.700 -0.182 0.000 2.359 33 S HA -0.214 4.255 4.470 -0.001 0.000 0.224 33 S C 1.641 176.148 174.600 -0.154 0.000 1.035 33 S CA 1.484 59.527 58.200 -0.262 0.000 1.018 33 S CB -0.537 62.461 63.200 -0.335 0.000 0.876 33 S HN 0.546 nan 8.310 nan 0.000 0.448 34 D N 1.188 121.525 120.400 -0.106 0.000 2.117 34 D HA -0.037 4.603 4.640 -0.001 0.000 0.197 34 D C 2.206 178.476 176.300 -0.049 0.000 0.987 34 D CA 1.100 55.059 54.000 -0.070 0.000 0.829 34 D CB -0.400 40.370 40.800 -0.050 0.000 0.961 34 D HN 0.306 nan 8.370 nan 0.000 0.460 35 S N 0.521 116.198 115.700 -0.039 0.000 2.368 35 S HA -0.070 4.399 4.470 -0.001 0.000 0.225 35 S C 2.272 176.859 174.600 -0.021 0.000 1.030 35 S CA 0.492 58.680 58.200 -0.020 0.000 0.999 35 S CB -0.218 62.978 63.200 -0.006 0.000 0.844 35 S HN 0.252 nan 8.310 nan 0.000 0.459 36 L N 1.464 122.669 121.223 -0.030 0.000 2.046 36 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 36 L C 2.179 179.035 176.870 -0.023 0.000 1.077 36 L CA 1.242 56.073 54.840 -0.015 0.000 0.747 36 L CB -0.733 41.327 42.059 0.001 0.000 0.896 36 L HN 0.358 nan 8.230 nan 0.000 0.432 37 N N -0.351 118.322 118.700 -0.045 0.000 2.142 37 N HA -0.148 4.591 4.740 -0.001 0.000 0.186 37 N C 1.966 177.461 175.510 -0.025 0.000 1.023 37 N CA 0.908 53.935 53.050 -0.039 0.000 0.852 37 N CB 0.020 38.473 38.487 -0.056 0.000 0.998 37 N HN 0.210 nan 8.380 nan 0.000 0.424 38 R N 0.104 120.590 120.500 -0.023 0.000 2.115 38 R HA 0.033 4.372 4.340 -0.001 0.000 0.226 38 R C 2.109 178.403 176.300 -0.009 0.000 1.100 38 R CA 0.816 56.907 56.100 -0.014 0.000 0.980 38 R CB -0.082 30.211 30.300 -0.012 0.000 0.875 38 R HN 0.296 nan 8.270 nan 0.000 0.445 39 M N -0.667 118.927 119.600 -0.009 0.000 2.123 39 M HA -0.004 4.475 4.480 -0.001 0.000 0.263 39 M C 0.948 177.244 176.300 -0.006 0.000 1.069 39 M CA 1.704 57.000 55.300 -0.006 0.000 1.133 39 M CB 0.175 32.770 32.600 -0.008 0.000 1.356 39 M HN 0.426 nan 8.290 nan 0.000 0.415 40 G N 0.054 108.850 108.800 -0.006 0.000 2.225 40 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.267 40 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.267 40 G C 0.486 175.383 174.900 -0.006 0.000 1.024 40 G CA 0.909 46.005 45.100 -0.006 0.000 0.784 40 G HN 0.571 nan 8.290 nan 0.000 0.507 41 T N -2.936 111.614 114.554 -0.006 0.000 3.174 41 T HA 0.439 4.789 4.350 -0.001 0.000 0.252 41 T C 1.247 175.939 174.700 -0.014 0.000 0.984 41 T CA 0.312 62.406 62.100 -0.010 0.000 1.113 41 T CB 0.384 69.246 68.868 -0.010 0.000 1.088 41 T HN 0.358 nan 8.240 nan 0.000 0.442 42 I N 2.721 123.284 120.570 -0.011 0.000 2.496 42 I HA 0.287 4.456 4.170 -0.001 0.000 0.285 42 I C 0.294 176.410 176.117 -0.003 0.000 1.080 42 I CA -0.394 60.897 61.300 -0.014 0.000 1.404 42 I CB 1.043 39.039 38.000 -0.006 0.000 1.403 42 I HN 0.411 nan 8.210 nan 0.000 0.539 43 E N 7.178 127.354 120.200 -0.040 0.000 2.197 43 E HA 0.079 4.428 4.350 -0.001 0.000 0.281 43 E C -1.148 175.422 176.600 -0.050 0.000 0.995 43 E CA -0.736 55.637 56.400 -0.044 0.000 0.808 43 E CB 1.127 30.765 29.700 -0.103 0.000 1.093 43 E HN 0.566 nan 8.360 nan 0.000 0.394 44 W N 7.626 128.828 121.300 -0.163 0.000 2.335 44 W HA 0.207 4.867 4.660 -0.001 0.000 0.306 44 W C -1.342 175.037 176.519 -0.233 0.000 1.216 44 W CA -0.825 56.418 57.345 -0.171 0.000 1.237 44 W CB 1.058 30.459 29.460 -0.099 0.000 1.243 44 W HN 0.465 nan 8.180 nan 0.000 0.493 45 M N 6.016 125.057 119.600 -0.933 0.000 2.047 45 M HA 0.066 4.546 4.480 -0.001 0.000 0.342 45 M C -0.033 175.852 176.300 -0.693 0.000 1.058 45 M CA -0.296 54.507 55.300 -0.829 0.000 0.991 45 M CB 0.807 32.543 32.600 -1.439 0.000 1.474 45 M HN 0.270 nan 8.290 nan 0.000 0.419 46 S N 3.011 118.528 115.700 -0.306 0.000 2.430 46 S HA 0.501 4.970 4.470 -0.001 0.000 0.289 46 S C 0.396 175.022 174.600 0.043 0.000 1.143 46 S CA -0.379 57.791 58.200 -0.049 0.000 1.067 46 S CB 0.339 63.669 63.200 0.217 0.000 0.964 46 S HN 0.762 nan 8.310 nan 0.000 0.485 47 T N 3.132 117.737 114.554 0.086 0.000 2.910 47 T HA 0.529 4.879 4.350 -0.001 0.000 0.279 47 T C 1.073 175.853 174.700 0.133 0.000 0.989 47 T CA -0.897 61.284 62.100 0.134 0.000 0.968 47 T CB 0.734 69.705 68.868 0.171 0.000 1.135 47 T HN 0.436 nan 8.240 nan 0.000 0.562 48 R N -0.369 120.210 120.500 0.133 0.000 2.173 48 R HA 0.189 4.528 4.340 -0.001 0.000 0.208 48 R C 0.490 176.884 176.300 0.157 0.000 1.035 48 R CA 0.655 56.832 56.100 0.129 0.000 1.004 48 R CB -0.666 29.701 30.300 0.112 0.000 0.917 48 R HN 0.763 nan 8.270 nan 0.000 0.462 49 H N 0.058 119.168 119.070 0.066 0.000 2.771 49 H HA 0.199 4.754 4.556 -0.001 0.000 0.361 49 H C -0.094 175.275 175.328 0.069 0.000 1.108 49 H CA -0.281 55.791 56.048 0.040 0.000 1.201 49 H CB 1.822 31.552 29.762 -0.054 0.000 1.681 49 H HN -0.198 nan 8.280 nan 0.000 0.534 50 E N 2.406 122.735 120.200 0.215 0.000 2.204 50 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 50 E C 1.671 178.434 176.600 0.272 0.000 0.990 50 E CA 1.085 57.630 56.400 0.241 0.000 0.821 50 E CB 0.254 30.087 29.700 0.223 0.000 0.750 50 E HN 0.736 nan 8.360 nan 0.000 0.477 51 E N 0.353 120.827 120.200 0.457 0.000 2.085 51 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 51 E C 1.761 178.461 176.600 0.166 0.000 0.994 51 E CA 1.400 57.912 56.400 0.186 0.000 0.801 51 E CB 0.103 29.788 29.700 -0.024 0.000 0.743 51 E HN 0.128 nan 8.360 nan 0.000 0.453 52 V N 1.005 121.034 119.914 0.191 0.000 2.427 52 V HA -0.232 3.887 4.120 -0.001 0.000 0.248 52 V C 2.412 178.544 176.094 0.062 0.000 1.051 52 V CA 1.582 63.978 62.300 0.161 0.000 1.048 52 V CB -0.694 31.191 31.823 0.103 0.000 0.666 52 V HN 0.446 nan 8.190 nan 0.000 0.456 53 A N 0.205 123.072 122.820 0.078 0.000 1.908 53 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 53 A C 2.432 179.944 177.584 -0.120 0.000 1.181 53 A CA 2.267 54.326 52.037 0.037 0.000 0.627 53 A CB -0.758 18.309 19.000 0.112 0.000 0.818 53 A HN 0.566 nan 8.150 nan 0.000 0.445 54 A N -1.243 121.525 122.820 -0.087 0.000 1.873 54 A HA 0.054 4.374 4.320 -0.001 0.000 0.215 54 A C 1.943 179.387 177.584 -0.232 0.000 1.186 54 A CA 1.471 53.400 52.037 -0.179 0.000 0.616 54 A CB -0.759 18.121 19.000 -0.201 0.000 0.823 54 A HN 0.425 nan 8.150 nan 0.000 0.442 55 F N 0.384 120.229 119.950 -0.174 0.000 2.095 55 F HA -0.181 4.345 4.527 -0.001 0.000 0.298 55 F C 2.832 178.435 175.800 -0.328 0.000 1.104 55 F CA 1.193 59.072 58.000 -0.200 0.000 1.232 55 F CB -0.694 38.208 39.000 -0.162 0.000 0.987 55 F HN 0.263 nan 8.300 nan 0.000 0.475 56 A N -0.223 122.411 122.820 -0.309 0.000 1.902 56 A HA -0.059 4.260 4.320 -0.001 0.000 0.217 56 A C 2.421 179.465 177.584 -0.899 0.000 1.181 56 A CA 1.782 53.362 52.037 -0.762 0.000 0.623 56 A CB -1.368 16.794 19.000 -1.396 0.000 0.818 56 A HN 0.317 nan 8.150 nan 0.000 0.443 57 A N -0.395 121.898 122.820 -0.878 0.000 1.908 57 A HA 0.075 4.394 4.320 -0.001 0.000 0.218 57 A C 2.442 179.884 177.584 -0.237 0.000 1.181 57 A CA 2.043 53.777 52.037 -0.504 0.000 0.627 57 A CB -1.484 17.369 19.000 -0.245 0.000 0.818 57 A HN 0.782 nan 8.150 nan 0.000 0.445 58 G N -0.542 108.139 108.800 -0.199 0.000 2.440 58 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.218 58 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.218 58 G C 1.731 176.582 174.900 -0.081 0.000 1.154 58 G CA 1.571 46.606 45.100 -0.108 0.000 0.767 58 G HN 0.841 nan 8.290 nan 0.000 0.552 59 A N 0.641 123.391 122.820 -0.116 0.000 1.898 59 A HA -0.002 4.318 4.320 -0.001 0.000 0.216 59 A C 2.156 179.704 177.584 -0.059 0.000 1.181 59 A CA 1.984 53.970 52.037 -0.085 0.000 0.620 59 A CB -0.449 18.482 19.000 -0.115 0.000 0.819 59 A HN 0.509 nan 8.150 nan 0.000 0.442 60 E N 0.037 120.187 120.200 -0.082 0.000 2.051 60 E HA -0.140 4.210 4.350 -0.001 0.000 0.192 60 E C 2.085 178.697 176.600 0.019 0.000 0.991 60 E CA 1.181 57.586 56.400 0.008 0.000 0.799 60 E CB -0.287 29.471 29.700 0.096 0.000 0.748 60 E HN 0.509 nan 8.360 nan 0.000 0.449 61 A N 0.631 123.452 122.820 0.003 0.000 1.930 61 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 61 A C 2.132 179.734 177.584 0.030 0.000 1.175 61 A CA 1.696 53.745 52.037 0.019 0.000 0.627 61 A CB -0.644 18.363 19.000 0.011 0.000 0.815 61 A HN 0.353 nan 8.150 nan 0.000 0.443 62 Q N -0.110 119.704 119.800 0.024 0.000 2.061 62 Q HA -0.110 4.229 4.340 -0.001 0.000 0.204 62 Q C 1.820 177.852 176.000 0.054 0.000 0.984 62 Q CA 1.951 57.782 55.803 0.046 0.000 0.846 62 Q CB -0.407 28.354 28.738 0.039 0.000 0.902 62 Q HN 0.651 nan 8.270 nan 0.000 0.421 63 L N -0.390 120.854 121.223 0.036 0.000 2.095 63 L HA -0.055 4.284 4.340 -0.001 0.000 0.204 63 L C 2.446 179.336 176.870 0.034 0.000 1.080 63 L CA 1.210 56.071 54.840 0.034 0.000 0.759 63 L CB -0.394 41.676 42.059 0.019 0.000 0.914 63 L HN 0.319 nan 8.230 nan 0.000 0.439 64 S N -0.818 114.902 115.700 0.032 0.000 2.470 64 S HA 0.069 4.538 4.470 -0.001 0.000 0.225 64 S C 1.681 176.297 174.600 0.027 0.000 1.006 64 S CA 0.480 58.696 58.200 0.027 0.000 0.934 64 S CB 0.134 63.350 63.200 0.027 0.000 0.778 64 S HN 0.498 nan 8.310 nan 0.000 0.517 65 G N 0.463 109.285 108.800 0.037 0.000 2.155 65 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.257 65 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.257 65 G C -0.187 174.734 174.900 0.036 0.000 0.983 65 G CA 0.525 45.649 45.100 0.040 0.000 0.676 65 G HN 0.632 nan 8.290 nan 0.000 0.528 66 E N -1.370 118.849 120.200 0.032 0.000 2.359 66 E HA 0.620 4.969 4.350 -0.001 0.000 0.266 66 E C -0.105 176.513 176.600 0.031 0.000 0.920 66 E CA -1.300 55.118 56.400 0.031 0.000 0.788 66 E CB 1.722 31.429 29.700 0.012 0.000 1.279 66 E HN 0.184 nan 8.360 nan 0.000 0.438 67 L N 2.025 123.262 121.223 0.024 0.000 2.601 67 L HA 0.175 4.515 4.340 -0.001 0.000 0.277 67 L C -0.705 176.166 176.870 0.001 0.000 1.219 67 L CA 0.815 55.653 54.840 -0.003 0.000 0.915 67 L CB -0.148 41.872 42.059 -0.064 0.000 1.160 67 L HN 0.583 nan 8.230 nan 0.000 0.494 68 A N 4.842 127.668 122.820 0.010 0.000 2.350 68 A HA 0.877 5.196 4.320 -0.001 0.000 0.318 68 A C -1.154 176.446 177.584 0.027 0.000 1.132 68 A CA -0.596 51.465 52.037 0.041 0.000 0.811 68 A CB 1.697 20.729 19.000 0.053 0.000 1.313 68 A HN 0.548 nan 8.150 nan 0.000 0.454 69 V N -0.038 119.922 119.914 0.077 0.000 2.760 69 V HA 0.559 4.678 4.120 -0.001 0.000 0.309 69 V C -0.164 175.988 176.094 0.096 0.000 1.077 69 V CA -0.561 61.765 62.300 0.045 0.000 0.910 69 V CB 1.131 32.964 31.823 0.015 0.000 1.008 69 V HN 1.455 nan 8.190 nan 0.000 0.424 70 C N 1.977 121.297 119.300 0.033 0.000 3.044 70 C HA 1.076 5.536 4.460 -0.001 0.000 0.315 70 C C -0.077 174.924 174.990 0.018 0.000 1.320 70 C CA -0.556 58.483 59.018 0.035 0.000 1.582 70 C CB 1.173 28.917 27.740 0.007 0.000 2.039 70 C HN 1.478 nan 8.230 nan 0.000 0.466 71 A N 0.164 123.011 122.820 0.045 0.000 2.572 71 A HA 1.005 5.324 4.320 -0.001 0.000 0.295 71 A C -0.483 177.192 177.584 0.152 0.000 1.072 71 A CA 0.255 52.363 52.037 0.119 0.000 0.691 71 A CB 1.363 20.523 19.000 0.267 0.000 1.291 71 A HN 2.438 nan 8.150 nan 0.000 0.404 72 G N 0.150 109.031 108.800 0.135 0.000 2.659 72 G HA2 0.647 4.606 3.960 -0.001 0.000 0.296 72 G HA3 0.647 4.606 3.960 -0.001 0.000 0.296 72 G C -0.069 174.906 174.900 0.126 0.000 1.369 72 G CA 0.244 45.430 45.100 0.143 0.000 0.937 72 G HN 1.572 nan 8.290 nan 0.000 0.485 73 S N -1.023 114.743 115.700 0.111 0.000 2.633 73 S HA 0.410 4.879 4.470 -0.001 0.000 0.257 73 S C 1.179 175.816 174.600 0.061 0.000 1.265 73 S CA -0.014 58.233 58.200 0.078 0.000 0.980 73 S CB 0.130 63.365 63.200 0.057 0.000 1.017 73 S HN 1.559 nan 8.310 nan 0.000 0.577 74 C N -0.135 119.195 119.300 0.051 0.000 2.700 74 C HA 0.726 5.185 4.460 -0.001 0.000 0.397 74 C C 1.851 176.841 174.990 0.001 0.000 1.301 74 C CA -0.012 59.045 59.018 0.065 0.000 2.219 74 C CB -0.984 26.798 27.740 0.071 0.000 2.699 74 C HN 1.814 nan 8.230 nan 0.000 0.669 75 G N 3.308 112.123 108.800 0.026 0.000 2.602 75 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.310 75 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.310 75 G C -1.151 173.706 174.900 -0.073 0.000 1.183 75 G CA 0.572 45.645 45.100 -0.044 0.000 0.979 75 G HN 0.605 nan 8.290 nan 0.000 0.545 76 P HA -0.030 nan 4.420 nan 0.000 0.218 76 P C 2.012 179.142 177.300 -0.282 0.000 1.148 76 P CA 2.655 65.603 63.100 -0.253 0.000 0.822 76 P CB -0.728 30.791 31.700 -0.303 0.000 0.784 77 G N 1.224 109.938 108.800 -0.143 0.000 2.511 77 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.216 77 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.216 77 G C 1.386 176.317 174.900 0.053 0.000 1.218 77 G CA 1.362 46.435 45.100 -0.046 0.000 0.788 77 G HN 0.440 nan 8.290 nan 0.000 0.560 78 N N 0.223 118.978 118.700 0.092 0.000 2.331 78 N HA 0.002 4.742 4.740 -0.001 0.000 0.180 78 N C 1.963 177.657 175.510 0.306 0.000 1.019 78 N CA 1.110 54.266 53.050 0.177 0.000 0.881 78 N CB -0.428 38.164 38.487 0.175 0.000 0.972 78 N HN 0.268 nan 8.380 nan 0.000 0.435 79 L N 0.821 122.157 121.223 0.188 0.000 2.079 79 L HA -0.133 4.206 4.340 -0.001 0.000 0.210 79 L C 1.866 178.891 176.870 0.259 0.000 1.081 79 L CA 1.811 56.745 54.840 0.158 0.000 0.752 79 L CB -1.084 40.982 42.059 0.012 0.000 0.896 79 L HN 0.364 nan 8.230 nan 0.000 0.433 80 H N -1.381 117.773 119.070 0.140 0.000 2.489 80 H HA -0.124 4.431 4.556 -0.001 0.000 0.295 80 H C 2.083 177.542 175.328 0.217 0.000 1.082 80 H CA 0.932 57.091 56.048 0.184 0.000 1.295 80 H CB 0.053 29.846 29.762 0.053 0.000 1.380 80 H HN 0.360 nan 8.280 nan 0.000 0.548 81 L N 0.057 121.464 121.223 0.306 0.000 2.291 81 L HA -0.131 4.208 4.340 -0.001 0.000 0.214 81 L C 2.402 179.374 176.870 0.170 0.000 1.120 81 L CA 0.413 55.360 54.840 0.178 0.000 0.799 81 L CB -0.142 41.966 42.059 0.081 0.000 0.925 81 L HN 0.342 nan 8.230 nan 0.000 0.446 82 I N 0.609 121.369 120.570 0.316 0.000 2.163 82 I HA -0.370 3.799 4.170 -0.001 0.000 0.243 82 I C 2.332 178.595 176.117 0.243 0.000 1.085 82 I CA 1.703 63.227 61.300 0.373 0.000 1.347 82 I CB 0.026 38.203 38.000 0.294 0.000 1.044 82 I HN 0.374 nan 8.210 nan 0.000 0.408 83 N N 0.684 119.465 118.700 0.135 0.000 2.166 83 N HA -0.125 4.615 4.740 -0.001 0.000 0.186 83 N C 1.794 177.179 175.510 -0.209 0.000 1.019 83 N CA 1.658 54.752 53.050 0.073 0.000 0.856 83 N CB -0.423 38.121 38.487 0.095 0.000 0.993 83 N HN 0.411 nan 8.380 nan 0.000 0.426 84 G N 0.170 108.705 108.800 -0.441 0.000 2.408 84 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.217 84 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.217 84 G C 1.497 176.095 174.900 -0.504 0.000 1.150 84 G CA 0.443 44.980 45.100 -0.939 0.000 0.776 84 G HN 0.308 nan 8.290 nan 0.000 0.542 85 L N -0.870 120.199 121.223 -0.257 0.000 2.093 85 L HA 0.064 4.403 4.340 -0.001 0.000 0.208 85 L C 2.611 179.334 176.870 -0.244 0.000 1.085 85 L CA 0.537 55.243 54.840 -0.223 0.000 0.755 85 L CB -0.405 41.538 42.059 -0.193 0.000 0.904 85 L HN 0.112 nan 8.230 nan 0.000 0.435 86 F N 0.831 120.581 119.950 -0.333 0.000 2.126 86 F HA -0.300 4.226 4.527 -0.001 0.000 0.299 86 F C 2.343 177.847 175.800 -0.493 0.000 1.096 86 F CA 2.102 59.805 58.000 -0.495 0.000 1.255 86 F CB -0.327 38.077 39.000 -0.992 0.000 0.997 86 F HN 0.175 nan 8.300 nan 0.000 0.479 87 D N -0.723 119.499 120.400 -0.296 0.000 2.097 87 D HA -0.189 4.451 4.640 -0.001 0.000 0.195 87 D C 2.243 178.489 176.300 -0.090 0.000 0.989 87 D CA 1.649 55.593 54.000 -0.094 0.000 0.827 87 D CB -0.299 40.492 40.800 -0.016 0.000 0.966 87 D HN 0.249 nan 8.370 nan 0.000 0.456 88 C N -0.452 118.762 119.300 -0.143 0.000 2.413 88 C HA -0.122 4.338 4.460 -0.001 0.000 0.276 88 C C 2.544 177.493 174.990 -0.069 0.000 1.236 88 C CA 1.151 60.108 59.018 -0.101 0.000 1.735 88 C CB -1.463 26.203 27.740 -0.123 0.000 2.031 88 C HN 0.516 nan 8.230 nan 0.000 0.474 89 H N 0.683 119.639 119.070 -0.190 0.000 2.357 89 H HA -0.015 4.541 4.556 -0.001 0.000 0.301 89 H C 2.427 177.688 175.328 -0.111 0.000 1.082 89 H CA 1.465 57.411 56.048 -0.171 0.000 1.342 89 H CB -0.097 29.503 29.762 -0.270 0.000 1.389 89 H HN 0.175 nan 8.280 nan 0.000 0.511 90 R N 0.255 120.691 120.500 -0.107 0.000 2.148 90 R HA -0.021 4.318 4.340 -0.001 0.000 0.227 90 R C 1.039 177.091 176.300 -0.414 0.000 1.103 90 R CA 0.780 56.785 56.100 -0.158 0.000 0.983 90 R CB -0.252 30.069 30.300 0.034 0.000 0.874 90 R HN 0.440 nan 8.270 nan 0.000 0.451 91 N N 0.453 118.972 118.700 -0.302 0.000 2.398 91 N HA -0.044 4.695 4.740 -0.001 0.000 0.188 91 N C -0.540 174.780 175.510 -0.318 0.000 1.122 91 N CA 0.216 53.080 53.050 -0.309 0.000 0.866 91 N CB -0.183 38.247 38.487 -0.094 0.000 0.970 91 N HN 0.400 nan 8.380 nan 0.000 0.462 92 H N -2.114 116.931 119.070 -0.042 0.000 2.756 92 H HA -0.111 4.444 4.556 -0.001 0.000 0.315 92 H C -0.359 174.972 175.328 0.004 0.000 1.210 92 H CA 0.224 56.246 56.048 -0.042 0.000 1.150 92 H CB -2.189 27.569 29.762 -0.008 0.000 1.463 92 H HN 0.044 nan 8.280 nan 0.000 0.427 93 V N -2.103 117.851 119.914 0.066 0.000 2.581 93 V HA 0.624 4.743 4.120 -0.001 0.000 0.303 93 V C -2.268 173.860 176.094 0.057 0.000 1.041 93 V CA -2.649 59.688 62.300 0.062 0.000 0.907 93 V CB 2.352 34.193 31.823 0.030 0.000 0.994 93 V HN -0.017 nan 8.190 nan 0.000 0.442 94 P HA 0.302 nan 4.420 nan 0.000 0.274 94 P C -0.743 176.573 177.300 0.028 0.000 1.291 94 P CA 0.124 63.266 63.100 0.071 0.000 0.815 94 P CB 1.058 32.803 31.700 0.075 0.000 0.897 95 V N 5.556 125.475 119.914 0.008 0.000 2.577 95 V HA 0.285 4.404 4.120 -0.001 0.000 0.303 95 V C -0.077 175.990 176.094 -0.046 0.000 1.042 95 V CA -0.869 61.413 62.300 -0.030 0.000 0.872 95 V CB 2.307 34.091 31.823 -0.064 0.000 0.998 95 V HN 0.346 nan 8.190 nan 0.000 0.423 96 L N 4.701 125.895 121.223 -0.048 0.000 2.282 96 L HA 0.899 5.238 4.340 -0.001 0.000 0.288 96 L C 0.229 177.054 176.870 -0.076 0.000 1.033 96 L CA 0.033 54.838 54.840 -0.057 0.000 0.807 96 L CB 1.271 43.296 42.059 -0.058 0.000 1.209 96 L HN 0.783 nan 8.230 nan 0.000 0.423 97 A N 6.528 129.277 122.820 -0.118 0.000 2.288 97 A HA 0.682 5.001 4.320 -0.001 0.000 0.320 97 A C -0.585 176.928 177.584 -0.118 0.000 1.217 97 A CA -0.464 51.480 52.037 -0.155 0.000 0.840 97 A CB 0.250 19.063 19.000 -0.311 0.000 1.179 97 A HN 0.708 nan 8.150 nan 0.000 0.504 98 I N 2.711 123.248 120.570 -0.054 0.000 2.307 98 I HA 0.391 4.560 4.170 -0.001 0.000 0.289 98 I C 0.648 176.759 176.117 -0.011 0.000 1.021 98 I CA -0.040 61.252 61.300 -0.012 0.000 1.224 98 I CB 1.574 39.599 38.000 0.041 0.000 1.376 98 I HN 0.679 nan 8.210 nan 0.000 0.470 99 A N 6.205 129.006 122.820 -0.033 0.000 2.341 99 A HA 0.749 5.068 4.320 -0.001 0.000 0.326 99 A C 0.457 178.075 177.584 0.057 0.000 1.402 99 A CA -0.497 51.540 52.037 -0.000 0.000 0.957 99 A CB 0.234 19.219 19.000 -0.026 0.000 1.151 99 A HN 0.774 nan 8.150 nan 0.000 0.533 100 A N 2.254 125.125 122.820 0.084 0.000 2.483 100 A HA 0.509 4.828 4.320 -0.001 0.000 0.238 100 A C 0.119 177.801 177.584 0.163 0.000 1.070 100 A CA 0.279 52.380 52.037 0.105 0.000 0.770 100 A CB 0.001 19.053 19.000 0.087 0.000 1.008 100 A HN 1.032 nan 8.150 nan 0.000 0.497 101 H N 0.157 119.240 119.070 0.021 0.000 2.894 101 H HA 0.591 5.147 4.556 -0.001 0.000 0.368 101 H C 0.102 175.433 175.328 0.006 0.000 1.181 101 H CA -0.769 55.283 56.048 0.008 0.000 1.146 101 H CB 0.975 30.737 29.762 -0.000 0.000 1.839 101 H HN 0.741 nan 8.280 nan 0.000 0.557 102 I N 0.136 120.508 120.570 -0.329 0.000 3.112 102 I HA 0.330 4.499 4.170 -0.001 0.000 0.284 102 I C -2.126 173.817 176.117 -0.289 0.000 1.227 102 I CA -1.943 59.216 61.300 -0.235 0.000 1.369 102 I CB 0.020 37.912 38.000 -0.180 0.000 1.376 102 I HN 0.356 nan 8.210 nan 0.000 0.608 103 P HA 0.009 nan 4.420 nan 0.000 0.265 103 P C 0.540 177.691 177.300 -0.248 0.000 1.193 103 P CA 0.034 63.016 63.100 -0.196 0.000 0.765 103 P CB 0.856 32.438 31.700 -0.196 0.000 0.823 104 S N 1.659 117.256 115.700 -0.172 0.000 2.419 104 S HA -0.185 4.284 4.470 -0.001 0.000 0.235 104 S C 1.753 176.265 174.600 -0.146 0.000 1.019 104 S CA 1.544 59.656 58.200 -0.147 0.000 0.982 104 S CB -1.381 61.776 63.200 -0.070 0.000 0.789 104 S HN 0.519 nan 8.310 nan 0.000 0.490 105 S N 1.494 117.102 115.700 -0.154 0.000 2.447 105 S HA 0.002 4.471 4.470 -0.001 0.000 0.233 105 S C 1.396 175.886 174.600 -0.184 0.000 1.006 105 S CA 0.723 58.839 58.200 -0.140 0.000 0.957 105 S CB -0.330 62.793 63.200 -0.128 0.000 0.773 105 S HN 0.506 nan 8.310 nan 0.000 0.507 106 E N 0.769 120.793 120.200 -0.293 0.000 2.472 106 E HA 0.360 4.710 4.350 -0.001 0.000 0.196 106 E C 0.376 176.862 176.600 -0.190 0.000 1.033 106 E CA -0.288 55.898 56.400 -0.356 0.000 0.886 106 E CB -0.166 28.978 29.700 -0.928 0.000 0.944 106 E HN 0.603 nan 8.360 nan 0.000 0.492 107 I N 1.054 121.523 120.570 -0.168 0.000 2.775 107 I HA -0.038 4.131 4.170 -0.001 0.000 0.290 107 I C 1.443 177.550 176.117 -0.017 0.000 1.203 107 I CA 1.316 62.553 61.300 -0.105 0.000 1.433 107 I CB 0.333 38.277 38.000 -0.093 0.000 1.354 107 I HN 0.293 nan 8.210 nan 0.000 0.579 108 G N 3.824 112.648 108.800 0.040 0.000 2.157 108 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.248 108 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.248 108 G C 0.689 175.636 174.900 0.078 0.000 0.979 108 G CA 0.459 45.614 45.100 0.092 0.000 0.650 108 G HN 0.771 nan 8.290 nan 0.000 0.529 109 S N -0.703 115.042 115.700 0.076 0.000 2.559 109 S HA 0.487 4.956 4.470 -0.001 0.000 0.226 109 S C 1.701 176.369 174.600 0.114 0.000 1.000 109 S CA 1.061 59.312 58.200 0.084 0.000 0.948 109 S CB 0.758 64.003 63.200 0.075 0.000 0.870 109 S HN 2.278 nan 8.310 nan 0.000 0.497 110 G N 1.222 110.098 108.800 0.128 0.000 2.291 110 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.271 110 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.271 110 G C -0.327 174.668 174.900 0.158 0.000 1.099 110 G CA 0.031 45.205 45.100 0.122 0.000 0.919 110 G HN 0.620 nan 8.290 nan 0.000 0.496 111 Y N -0.231 120.090 120.300 0.035 0.000 2.299 111 Y HA 0.598 5.148 4.550 -0.000 0.000 0.335 111 Y C 0.859 176.820 175.900 0.102 0.000 1.287 111 Y CA -1.573 56.562 58.100 0.060 0.000 1.424 111 Y CB 0.332 38.807 38.460 0.024 0.000 1.326 111 Y HN 0.420 nan 8.280 nan 0.000 0.567 112 F N 4.464 123.917 119.950 -0.829 0.000 2.604 112 F HA -0.049 4.477 4.527 -0.002 0.000 0.393 112 F C 0.874 176.529 175.800 -0.242 0.000 1.043 112 F CA 0.864 58.526 58.000 -0.564 0.000 1.227 112 F CB -0.037 38.501 39.000 -0.770 0.000 1.016 112 F HN 0.782 nan 8.300 nan 0.000 0.556 113 Q N 0.814 120.249 119.800 -0.608 0.000 2.362 113 Q HA -0.338 4.001 4.340 -0.001 0.000 0.220 113 Q C 0.245 176.150 176.000 -0.159 0.000 0.713 113 Q CA 1.340 56.854 55.803 -0.481 0.000 1.345 113 Q CB -1.549 26.800 28.738 -0.648 0.000 1.570 113 Q HN 0.855 nan 8.270 nan 0.000 0.701 114 E N 1.562 121.736 120.200 -0.044 0.000 2.480 114 E HA 0.126 4.475 4.350 -0.001 0.000 0.258 114 E C 0.218 176.842 176.600 0.040 0.000 0.984 114 E CA 1.123 57.542 56.400 0.032 0.000 0.930 114 E CB 0.568 30.315 29.700 0.077 0.000 0.936 114 E HN 0.278 nan 8.360 nan 0.000 0.466 115 T N 1.524 116.118 114.554 0.066 0.000 2.804 115 T HA 0.376 4.725 4.350 -0.001 0.000 0.290 115 T C -0.878 173.835 174.700 0.021 0.000 1.099 115 T CA -0.946 61.207 62.100 0.088 0.000 1.011 115 T CB 0.990 69.878 68.868 0.032 0.000 1.291 115 T HN 0.485 nan 8.240 nan 0.000 0.523 116 H N 0.851 119.914 119.070 -0.012 0.000 2.530 116 H HA 0.405 4.960 4.556 -0.001 0.000 0.246 116 H C -2.169 173.077 175.328 -0.136 0.000 1.346 116 H CA -1.857 54.153 56.048 -0.064 0.000 1.424 116 H CB 1.131 30.876 29.762 -0.029 0.000 1.445 116 H HN 0.394 nan 8.280 nan 0.000 0.511 117 P HA -0.217 nan 4.420 nan 0.000 0.218 117 P C 1.655 178.996 177.300 0.069 0.000 1.148 117 P CA 0.986 64.076 63.100 -0.017 0.000 0.822 117 P CB 0.438 32.187 31.700 0.081 0.000 0.784 118 Q N 0.171 119.963 119.800 -0.013 0.000 2.364 118 Q HA -0.142 4.197 4.340 -0.001 0.000 0.207 118 Q C 1.285 177.285 176.000 -0.001 0.000 0.970 118 Q CA 1.564 57.368 55.803 0.001 0.000 0.888 118 Q CB -0.746 27.972 28.738 -0.034 0.000 0.951 118 Q HN 0.365 nan 8.270 nan 0.000 0.469 119 E N 0.584 120.781 120.200 -0.004 0.000 2.162 119 E HA 0.121 4.470 4.350 -0.001 0.000 0.193 119 E C 2.223 178.776 176.600 -0.078 0.000 0.953 119 E CA 0.203 56.584 56.400 -0.033 0.000 0.849 119 E CB 0.070 29.750 29.700 -0.034 0.000 0.810 119 E HN 0.166 nan 8.360 nan 0.000 0.470 120 L N 0.159 121.285 121.223 -0.162 0.000 2.042 120 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 120 L C 1.599 178.271 176.870 -0.329 0.000 1.076 120 L CA 1.165 55.815 54.840 -0.317 0.000 0.749 120 L CB -0.205 41.509 42.059 -0.575 0.000 0.893 120 L HN 0.125 nan 8.230 nan 0.000 0.432 121 F N -0.910 118.995 119.950 -0.076 0.000 2.732 121 F HA 0.099 4.625 4.527 -0.001 0.000 0.303 121 F C 2.220 177.896 175.800 -0.206 0.000 1.110 121 F CA -0.038 57.874 58.000 -0.146 0.000 1.355 121 F CB -0.428 38.479 39.000 -0.156 0.000 1.081 121 F HN -0.135 nan 8.300 nan 0.000 0.565 122 R N 0.444 120.930 120.500 -0.023 0.000 2.081 122 R HA -0.200 4.139 4.340 -0.001 0.000 0.235 122 R C 2.133 178.359 176.300 -0.124 0.000 1.131 122 R CA 1.719 57.778 56.100 -0.069 0.000 0.960 122 R CB -0.306 29.967 30.300 -0.046 0.000 0.856 122 R HN 0.356 nan 8.270 nan 0.000 0.436 123 E N 0.400 120.533 120.200 -0.111 0.000 2.150 123 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 123 E C 0.720 177.072 176.600 -0.414 0.000 0.985 123 E CA 1.183 57.512 56.400 -0.119 0.000 0.814 123 E CB 0.160 29.919 29.700 0.097 0.000 0.752 123 E HN 0.526 nan 8.360 nan 0.000 0.466 124 C N 0.887 119.748 119.300 -0.731 0.000 2.336 124 C HA 0.581 5.040 4.460 -0.001 0.000 0.332 124 C C 0.267 174.643 174.990 -1.023 0.000 1.375 124 C CA -0.464 57.902 59.018 -1.087 0.000 1.785 124 C CB -1.709 25.075 27.740 -1.592 0.000 2.407 124 C HN 0.194 nan 8.230 nan 0.000 0.562 125 S N -1.221 113.853 115.700 -1.044 0.000 2.615 125 S HA 0.484 4.954 4.470 -0.001 0.000 0.269 125 S C -0.130 174.123 174.600 -0.578 0.000 1.161 125 S CA -0.393 57.233 58.200 -0.956 0.000 0.817 125 S CB 0.380 63.319 63.200 -0.435 0.000 1.131 125 S HN 0.714 nan 8.310 nan 0.000 0.467 126 H N -0.356 118.664 119.070 -0.083 0.000 2.594 126 H HA 0.391 4.947 4.556 -0.001 0.000 0.279 126 H C -0.803 174.612 175.328 0.145 0.000 1.042 126 H CA -0.324 55.776 56.048 0.088 0.000 1.177 126 H CB 0.330 30.217 29.762 0.209 0.000 1.524 126 H HN 0.620 nan 8.280 nan 0.000 0.537 127 Y N 0.677 121.081 120.300 0.173 0.000 2.436 127 Y HA 0.410 4.959 4.550 -0.002 0.000 0.327 127 Y C -1.964 173.950 175.900 0.022 0.000 1.138 127 Y CA -1.474 56.697 58.100 0.118 0.000 1.042 127 Y CB 1.931 40.494 38.460 0.172 0.000 1.302 127 Y HN 0.275 nan 8.280 nan 0.000 0.439 128 C N 7.173 126.143 119.300 -0.551 0.000 2.887 128 C HA 0.644 5.103 4.460 -0.001 0.000 0.379 128 C C -1.946 172.806 174.990 -0.396 0.000 1.064 128 C CA -0.102 58.725 59.018 -0.319 0.000 1.282 128 C CB 0.022 27.676 27.740 -0.144 0.000 1.749 128 C HN 0.870 nan 8.230 nan 0.000 0.489 129 E N 3.178 123.196 120.200 -0.305 0.000 2.383 129 E HA 0.411 4.760 4.350 -0.001 0.000 0.275 129 E C -1.505 175.063 176.600 -0.055 0.000 0.918 129 E CA -0.767 55.515 56.400 -0.197 0.000 0.764 129 E CB 2.337 31.896 29.700 -0.236 0.000 1.252 129 E HN 0.581 nan 8.360 nan 0.000 0.449 130 L N 1.452 122.659 121.223 -0.027 0.000 2.276 130 L HA 0.256 4.595 4.340 -0.001 0.000 0.286 130 L C -0.853 176.041 176.870 0.039 0.000 1.061 130 L CA -0.483 54.363 54.840 0.010 0.000 0.807 130 L CB 1.218 43.288 42.059 0.020 0.000 1.177 130 L HN 0.287 nan 8.230 nan 0.000 0.429 131 V N 5.968 125.916 119.914 0.056 0.000 2.322 131 V HA 0.188 4.308 4.120 -0.001 0.000 0.258 131 V C 1.082 177.207 176.094 0.053 0.000 1.074 131 V CA 0.174 62.509 62.300 0.058 0.000 0.909 131 V CB 0.096 31.958 31.823 0.065 0.000 1.090 131 V HN 1.030 nan 8.190 nan 0.000 0.486 132 S N 2.285 118.011 115.700 0.043 0.000 2.425 132 S HA 0.011 4.481 4.470 -0.001 0.000 0.225 132 S C 0.970 175.581 174.600 0.019 0.000 1.024 132 S CA 0.615 58.835 58.200 0.033 0.000 0.951 132 S CB 0.239 63.456 63.200 0.028 0.000 0.796 132 S HN 0.691 nan 8.310 nan 0.000 0.498 133 S N 0.528 116.239 115.700 0.018 0.000 2.521 133 S HA 0.454 4.923 4.470 -0.001 0.000 0.295 133 S C -2.517 172.083 174.600 0.000 0.000 1.098 133 S CA -1.791 56.413 58.200 0.006 0.000 0.999 133 S CB 1.569 64.772 63.200 0.004 0.000 1.034 133 S HN -0.170 nan 8.310 nan 0.000 0.483 134 P HA -0.095 nan 4.420 nan 0.000 0.217 134 P C 0.998 178.268 177.300 -0.050 0.000 1.148 134 P CA 0.997 64.080 63.100 -0.029 0.000 0.828 134 P CB 0.150 31.831 31.700 -0.033 0.000 0.783 135 E N -0.304 119.874 120.200 -0.037 0.000 2.333 135 E HA -0.180 4.169 4.350 -0.001 0.000 0.198 135 E C 1.908 178.489 176.600 -0.031 0.000 1.007 135 E CA 0.940 57.315 56.400 -0.042 0.000 0.845 135 E CB -0.391 29.294 29.700 -0.025 0.000 0.766 135 E HN 0.518 nan 8.360 nan 0.000 0.507 136 Q N -0.013 119.781 119.800 -0.009 0.000 2.172 136 Q HA -0.076 4.263 4.340 -0.001 0.000 0.200 136 Q C 2.159 178.171 176.000 0.020 0.000 0.964 136 Q CA 0.397 56.211 55.803 0.018 0.000 0.855 136 Q CB -0.096 28.666 28.738 0.041 0.000 0.918 136 Q HN 0.152 nan 8.270 nan 0.000 0.444 137 I N 1.347 121.910 120.570 -0.012 0.000 2.264 137 I HA -0.178 3.991 4.170 -0.001 0.000 0.248 137 I C -1.185 174.964 176.117 0.054 0.000 1.111 137 I CA 1.238 62.551 61.300 0.022 0.000 1.382 137 I CB -0.594 37.412 38.000 0.010 0.000 1.060 137 I HN 0.078 nan 8.210 nan 0.000 0.418 138 P HA -0.137 nan 4.420 nan 0.000 0.216 138 P C 1.490 178.861 177.300 0.117 0.000 1.153 138 P CA 1.398 64.542 63.100 0.072 0.000 0.844 138 P CB 0.007 31.692 31.700 -0.026 0.000 0.787 139 Q N -0.752 119.090 119.800 0.070 0.000 2.049 139 Q HA -0.069 4.270 4.340 -0.001 0.000 0.198 139 Q C 2.201 178.244 176.000 0.072 0.000 0.971 139 Q CA 1.156 57.001 55.803 0.069 0.000 0.833 139 Q CB -1.540 27.233 28.738 0.059 0.000 0.896 139 Q HN 0.031 nan 8.270 nan 0.000 0.434 140 V N 0.583 120.561 119.914 0.108 0.000 2.295 140 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 140 V C 2.055 178.191 176.094 0.070 0.000 1.049 140 V CA 1.588 63.983 62.300 0.159 0.000 1.024 140 V CB -0.532 31.417 31.823 0.211 0.000 0.648 140 V HN 0.300 nan 8.190 nan 0.000 0.447 141 L N 0.519 121.804 121.223 0.104 0.000 2.093 141 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 141 L C 2.427 179.324 176.870 0.046 0.000 1.085 141 L CA 2.227 57.114 54.840 0.079 0.000 0.755 141 L CB -0.899 41.251 42.059 0.151 0.000 0.904 141 L HN 0.224 nan 8.230 nan 0.000 0.435 142 A N -0.265 122.620 122.820 0.109 0.000 1.877 142 A HA -0.180 4.139 4.320 -0.001 0.000 0.216 142 A C 2.246 179.874 177.584 0.074 0.000 1.186 142 A CA 2.150 54.298 52.037 0.185 0.000 0.620 142 A CB -0.833 18.270 19.000 0.171 0.000 0.822 142 A HN 0.486 nan 8.150 nan 0.000 0.443 143 I N -0.302 120.202 120.570 -0.109 0.000 2.202 143 I HA -0.233 3.937 4.170 -0.001 0.000 0.242 143 I C 2.995 178.845 176.117 -0.445 0.000 1.091 143 I CA 0.946 62.070 61.300 -0.294 0.000 1.368 143 I CB -0.425 37.300 38.000 -0.459 0.000 1.058 143 I HN 0.340 nan 8.210 nan 0.000 0.410 144 A N 0.861 123.331 122.820 -0.584 0.000 1.892 144 A HA -0.274 4.045 4.320 -0.001 0.000 0.218 144 A C 2.360 179.891 177.584 -0.089 0.000 1.188 144 A CA 2.124 53.962 52.037 -0.332 0.000 0.631 144 A CB -0.695 18.256 19.000 -0.082 0.000 0.822 144 A HN 0.366 nan 8.150 nan 0.000 0.447 145 M N -2.181 117.372 119.600 -0.079 0.000 2.156 145 M HA -0.077 4.402 4.480 -0.001 0.000 0.264 145 M C 2.398 178.749 176.300 0.086 0.000 1.067 145 M CA 1.714 56.950 55.300 -0.106 0.000 1.131 145 M CB -0.178 32.154 32.600 -0.447 0.000 1.368 145 M HN 0.371 nan 8.290 nan 0.000 0.416 146 R N 0.645 121.281 120.500 0.228 0.000 2.081 146 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 146 R C 1.990 178.341 176.300 0.085 0.000 1.131 146 R CA 1.593 57.844 56.100 0.251 0.000 0.960 146 R CB -0.017 30.382 30.300 0.165 0.000 0.856 146 R HN 0.202 nan 8.270 nan 0.000 0.436 147 K N -0.599 119.790 120.400 -0.019 0.000 2.057 147 K HA -0.065 4.254 4.320 -0.001 0.000 0.207 147 K C 2.040 178.619 176.600 -0.035 0.000 1.049 147 K CA 1.323 57.511 56.287 -0.165 0.000 0.931 147 K CB -0.158 32.172 32.500 -0.283 0.000 0.714 147 K HN 0.220 nan 8.250 nan 0.000 0.440 148 A N 0.836 123.798 122.820 0.236 0.000 1.883 148 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 148 A C 2.341 180.044 177.584 0.198 0.000 1.186 148 A CA 1.708 53.942 52.037 0.329 0.000 0.624 148 A CB -0.688 18.414 19.000 0.170 0.000 0.822 148 A HN 0.087 nan 8.150 nan 0.000 0.444 149 V N -0.456 119.542 119.914 0.141 0.000 2.283 149 V HA -0.158 3.961 4.120 -0.001 0.000 0.243 149 V C 2.517 178.681 176.094 0.117 0.000 1.039 149 V CA 1.847 64.230 62.300 0.138 0.000 1.016 149 V CB -0.611 31.328 31.823 0.193 0.000 0.650 149 V HN 0.535 nan 8.190 nan 0.000 0.449 150 L N -0.267 121.011 121.223 0.093 0.000 2.162 150 L HA -0.004 4.336 4.340 -0.001 0.000 0.205 150 L C 1.952 178.834 176.870 0.019 0.000 1.086 150 L CA 1.383 56.256 54.840 0.055 0.000 0.778 150 L CB -0.448 41.636 42.059 0.042 0.000 0.928 150 L HN 0.382 nan 8.230 nan 0.000 0.446 151 N N 0.029 118.716 118.700 -0.022 0.000 2.467 151 N HA 0.050 4.789 4.740 -0.001 0.000 0.184 151 N C -0.503 175.068 175.510 0.102 0.000 1.106 151 N CA -0.156 52.874 53.050 -0.035 0.000 0.892 151 N CB 0.254 38.593 38.487 -0.246 0.000 0.969 151 N HN 0.075 nan 8.380 nan 0.000 0.454 152 R N -0.104 120.493 120.500 0.162 0.000 2.983 152 R HA -0.131 4.208 4.340 -0.001 0.000 0.272 152 R C -0.266 176.167 176.300 0.222 0.000 0.926 152 R CA 0.227 56.430 56.100 0.172 0.000 0.667 152 R CB -1.925 28.436 30.300 0.102 0.000 1.540 152 R HN 0.447 nan 8.270 nan 0.000 0.467 153 G N -0.923 108.051 108.800 0.290 0.000 2.348 153 G HA2 0.428 4.387 3.960 -0.001 0.000 0.296 153 G HA3 0.428 4.387 3.960 -0.001 0.000 0.296 153 G C -1.160 173.737 174.900 -0.004 0.000 1.258 153 G CA -0.527 44.653 45.100 0.133 0.000 0.868 153 G HN 0.133 nan 8.290 nan 0.000 0.488 154 V N 0.785 120.640 119.914 -0.100 0.000 2.509 154 V HA 0.664 4.784 4.120 -0.001 0.000 0.284 154 V C 0.161 176.030 176.094 -0.375 0.000 1.047 154 V CA -0.267 61.900 62.300 -0.222 0.000 0.952 154 V CB 1.333 33.003 31.823 -0.255 0.000 0.988 154 V HN 0.707 nan 8.190 nan 0.000 0.469 155 S N 2.923 118.551 115.700 -0.120 0.000 2.513 155 S HA 0.745 5.215 4.470 -0.001 0.000 0.299 155 S C -0.716 173.865 174.600 -0.032 0.000 1.087 155 S CA -0.554 57.666 58.200 0.034 0.000 1.012 155 S CB 2.016 65.329 63.200 0.190 0.000 1.044 155 S HN 0.440 nan 8.310 nan 0.000 0.485 156 V N 2.800 122.709 119.914 -0.008 0.000 2.540 156 V HA 0.532 4.651 4.120 -0.001 0.000 0.302 156 V C -0.729 175.369 176.094 0.006 0.000 1.035 156 V CA -0.655 61.583 62.300 -0.103 0.000 0.873 156 V CB 1.832 33.506 31.823 -0.249 0.000 0.992 156 V HN 0.664 nan 8.190 nan 0.000 0.428 157 V N 5.466 125.380 119.914 0.001 0.000 2.378 157 V HA 0.432 4.551 4.120 -0.001 0.000 0.288 157 V C -0.212 175.888 176.094 0.011 0.000 1.016 157 V CA -0.573 61.757 62.300 0.050 0.000 0.840 157 V CB 1.939 33.809 31.823 0.079 0.000 0.994 157 V HN 0.626 nan 8.190 nan 0.000 0.431 158 V N 6.588 126.509 119.914 0.010 0.000 2.370 158 V HA 0.470 4.589 4.120 -0.001 0.000 0.279 158 V C -0.357 175.766 176.094 0.047 0.000 1.029 158 V CA -0.478 61.821 62.300 -0.001 0.000 0.870 158 V CB 1.476 33.260 31.823 -0.067 0.000 0.984 158 V HN 0.623 nan 8.190 nan 0.000 0.451 159 L N 9.020 130.291 121.223 0.080 0.000 2.427 159 L HA 0.634 4.973 4.340 -0.001 0.000 0.264 159 L C -2.638 174.304 176.870 0.120 0.000 0.989 159 L CA -1.819 53.076 54.840 0.093 0.000 0.865 159 L CB 1.892 43.995 42.059 0.073 0.000 1.209 159 L HN 0.372 nan 8.230 nan 0.000 0.430 160 P HA 0.158 nan 4.420 nan 0.000 0.266 160 P C 0.841 178.161 177.300 0.034 0.000 1.195 160 P CA 0.179 63.321 63.100 0.070 0.000 0.768 160 P CB 0.858 32.565 31.700 0.012 0.000 0.838 161 G N 3.016 111.827 108.800 0.017 0.000 2.450 161 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.220 161 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.220 161 G C 1.038 175.938 174.900 0.001 0.000 1.130 161 G CA 0.753 45.861 45.100 0.013 0.000 0.760 161 G HN 0.578 nan 8.290 nan 0.000 0.557 162 D N 0.759 121.150 120.400 -0.015 0.000 2.123 162 D HA -0.088 4.552 4.640 -0.001 0.000 0.200 162 D C 2.488 178.783 176.300 -0.008 0.000 0.976 162 D CA 0.947 54.936 54.000 -0.018 0.000 0.831 162 D CB -0.849 39.929 40.800 -0.037 0.000 0.974 162 D HN 0.244 nan 8.370 nan 0.000 0.469 163 V N 1.697 121.609 119.914 -0.002 0.000 2.407 163 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 163 V C 2.924 179.028 176.094 0.015 0.000 1.055 163 V CA 1.697 64.001 62.300 0.007 0.000 1.049 163 V CB -0.986 30.847 31.823 0.017 0.000 0.662 163 V HN 0.365 nan 8.190 nan 0.000 0.455 164 A N -0.358 122.476 122.820 0.022 0.000 1.978 164 A HA -0.142 4.178 4.320 -0.001 0.000 0.220 164 A C 2.089 179.685 177.584 0.020 0.000 1.170 164 A CA 1.672 53.726 52.037 0.028 0.000 0.636 164 A CB -0.460 18.557 19.000 0.028 0.000 0.810 164 A HN 0.550 nan 8.150 nan 0.000 0.448 165 L N -1.218 120.011 121.223 0.010 0.000 2.592 165 L HA 0.093 4.432 4.340 -0.001 0.000 0.227 165 L C 0.631 177.504 176.870 0.004 0.000 1.127 165 L CA -0.002 54.841 54.840 0.005 0.000 0.884 165 L CB -0.058 42.001 42.059 -0.001 0.000 1.065 165 L HN 0.202 nan 8.230 nan 0.000 0.457 166 K N 0.575 120.978 120.400 0.004 0.000 2.107 166 K HA 0.261 4.580 4.320 -0.001 0.000 0.251 166 K C -2.300 174.301 176.600 0.001 0.000 1.012 166 K CA -1.855 54.432 56.287 -0.000 0.000 0.920 166 K CB 0.357 32.855 32.500 -0.005 0.000 1.033 166 K HN -0.252 nan 8.250 nan 0.000 0.478 167 P HA -0.009 nan 4.420 nan 0.000 0.267 167 P C -1.058 176.230 177.300 -0.019 0.000 1.205 167 P CA 0.001 63.099 63.100 -0.004 0.000 0.765 167 P CB 0.779 32.475 31.700 -0.006 0.000 0.828 168 A N 6.151 128.959 122.820 -0.020 0.000 2.406 168 A HA 0.367 4.687 4.320 -0.001 0.000 0.243 168 A C -2.019 175.506 177.584 -0.098 0.000 1.082 168 A CA -1.065 50.921 52.037 -0.085 0.000 0.786 168 A CB -1.341 17.611 19.000 -0.080 0.000 1.029 168 A HN 0.412 nan 8.150 nan 0.000 0.495 169 P HA 0.089 nan 4.420 nan 0.000 0.265 169 P C 0.291 177.544 177.300 -0.078 0.000 1.193 169 P CA 0.133 63.168 63.100 -0.110 0.000 0.765 169 P CB 0.453 32.070 31.700 -0.138 0.000 0.823 170 E N 2.088 122.267 120.200 -0.035 0.000 2.150 170 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 170 E C 1.917 178.521 176.600 0.006 0.000 0.985 170 E CA 1.181 57.576 56.400 -0.007 0.000 0.814 170 E CB -0.299 29.401 29.700 -0.001 0.000 0.752 170 E HN 0.636 nan 8.360 nan 0.000 0.466 171 G N 0.956 109.755 108.800 -0.003 0.000 2.985 171 G HA2 0.184 4.144 3.960 -0.001 0.000 0.209 171 G HA3 0.184 4.144 3.960 -0.001 0.000 0.209 171 G C 0.536 175.455 174.900 0.031 0.000 1.165 171 G CA 0.247 45.355 45.100 0.014 0.000 0.776 171 G HN 0.232 nan 8.290 nan 0.000 0.541 172 A N 0.685 123.513 122.820 0.013 0.000 2.483 172 A HA 0.514 4.833 4.320 -0.001 0.000 0.238 172 A C 0.847 178.557 177.584 0.210 0.000 1.070 172 A CA 0.703 52.770 52.037 0.051 0.000 0.770 172 A CB 0.113 19.006 19.000 -0.179 0.000 1.008 172 A HN 0.544 nan 8.150 nan 0.000 0.497 173 T N 0.214 114.924 114.554 0.260 0.000 2.895 173 T HA 0.579 4.929 4.350 -0.001 0.000 0.283 173 T C 0.459 175.327 174.700 0.280 0.000 1.014 173 T CA -0.556 61.691 62.100 0.244 0.000 1.037 173 T CB 0.929 69.894 68.868 0.161 0.000 1.006 173 T HN 0.469 nan 8.240 nan 0.000 0.468 174 M N 1.098 120.794 119.600 0.160 0.000 2.367 174 M HA 0.224 4.703 4.480 -0.001 0.000 0.256 174 M C 0.903 177.236 176.300 0.055 0.000 1.091 174 M CA -0.317 54.972 55.300 -0.018 0.000 1.049 174 M CB 0.066 32.602 32.600 -0.106 0.000 1.406 174 M HN 0.678 nan 8.290 nan 0.000 0.498 175 H N 1.043 120.154 119.070 0.069 0.000 2.848 175 H HA -0.044 4.511 4.556 -0.001 0.000 0.341 175 H C -1.379 174.043 175.328 0.157 0.000 1.060 175 H CA 0.705 56.808 56.048 0.091 0.000 1.444 175 H CB 0.639 30.442 29.762 0.070 0.000 1.446 175 H HN 0.388 nan 8.280 nan 0.000 0.583 176 W N 7.637 128.606 121.300 -0.551 0.000 2.417 176 W HA 0.161 4.820 4.660 -0.002 0.000 0.315 176 W C -1.671 174.639 176.519 -0.348 0.000 1.045 176 W CA -1.029 56.100 57.345 -0.360 0.000 1.221 176 W CB 0.714 29.909 29.460 -0.442 0.000 1.309 176 W HN 0.583 nan 8.180 nan 0.000 0.453 177 Y N 6.426 126.278 120.300 -0.748 0.000 2.365 177 Y HA 0.184 4.733 4.550 -0.001 0.000 0.340 177 Y C 0.433 175.846 175.900 -0.812 0.000 1.016 177 Y CA 0.057 57.837 58.100 -0.533 0.000 1.196 177 Y CB 0.326 38.595 38.460 -0.319 0.000 1.167 177 Y HN 0.238 nan 8.280 nan 0.000 0.509 178 H N 5.623 124.184 119.070 -0.849 0.000 3.015 178 H HA 0.338 4.893 4.556 -0.001 0.000 0.268 178 H C -0.375 174.754 175.328 -0.332 0.000 1.113 178 H CA 0.131 55.943 56.048 -0.393 0.000 1.479 178 H CB 0.416 30.065 29.762 -0.189 0.000 1.493 178 H HN 0.766 nan 8.280 nan 0.000 0.486 179 A N 6.910 129.760 122.820 0.051 0.000 2.260 179 A HA 0.429 4.748 4.320 -0.001 0.000 0.308 179 A C -1.940 175.714 177.584 0.117 0.000 1.254 179 A CA -1.374 50.757 52.037 0.156 0.000 0.874 179 A CB 0.287 19.364 19.000 0.128 0.000 1.153 179 A HN 0.423 nan 8.150 nan 0.000 0.527 180 P HA 0.185 nan 4.420 nan 0.000 0.274 180 P C -0.344 176.991 177.300 0.058 0.000 1.256 180 P CA -0.510 62.631 63.100 0.069 0.000 0.795 180 P CB 0.374 32.104 31.700 0.050 0.000 1.038 181 Q N 1.018 120.845 119.800 0.045 0.000 2.369 181 Q HA 0.096 4.435 4.340 -0.001 0.000 0.295 181 Q C -1.677 174.337 176.000 0.023 0.000 1.075 181 Q CA -0.514 55.307 55.803 0.030 0.000 0.941 181 Q CB -0.739 28.011 28.738 0.020 0.000 1.260 181 Q HN 0.436 nan 8.270 nan 0.000 0.417 182 P HA 0.179 nan 4.420 nan 0.000 0.277 182 P C -0.639 176.663 177.300 0.002 0.000 1.271 182 P CA -0.482 62.623 63.100 0.008 0.000 0.795 182 P CB 0.607 32.309 31.700 0.002 0.000 1.101 183 V N 0.819 120.733 119.914 -0.001 0.000 2.488 183 V HA 0.144 4.263 4.120 -0.001 0.000 0.277 183 V C 0.367 176.454 176.094 -0.011 0.000 1.046 183 V CA -0.204 62.092 62.300 -0.006 0.000 0.986 183 V CB 1.018 32.838 31.823 -0.006 0.000 0.989 183 V HN 0.217 nan 8.190 nan 0.000 0.475 184 V N 4.730 124.635 119.914 -0.016 0.000 2.376 184 V HA 0.561 4.680 4.120 -0.001 0.000 0.287 184 V C -0.016 176.063 176.094 -0.025 0.000 1.015 184 V CA -0.213 62.076 62.300 -0.019 0.000 0.834 184 V CB 1.796 33.607 31.823 -0.020 0.000 1.001 184 V HN 0.985 nan 8.190 nan 0.000 0.428 185 T N 6.040 120.579 114.554 -0.025 0.000 2.916 185 T HA 0.539 4.888 4.350 -0.001 0.000 0.298 185 T C -2.767 171.916 174.700 -0.028 0.000 1.031 185 T CA -1.233 60.849 62.100 -0.031 0.000 0.993 185 T CB 2.272 71.123 68.868 -0.029 0.000 1.045 185 T HN 0.358 nan 8.240 nan 0.000 0.454 186 P HA 0.185 nan 4.420 nan 0.000 0.270 186 P C 0.125 177.411 177.300 -0.023 0.000 1.223 186 P CA -0.501 62.583 63.100 -0.027 0.000 0.785 186 P CB 0.457 32.138 31.700 -0.031 0.000 0.923 187 E N 1.305 121.494 120.200 -0.018 0.000 2.508 187 E HA -0.150 4.200 4.350 -0.001 0.000 0.266 187 E C 1.189 177.780 176.600 -0.015 0.000 1.010 187 E CA 0.471 56.862 56.400 -0.015 0.000 0.955 187 E CB 0.350 30.043 29.700 -0.012 0.000 0.946 187 E HN 0.550 nan 8.360 nan 0.000 0.454 188 E N 2.523 122.715 120.200 -0.013 0.000 2.097 188 E HA -0.268 4.082 4.350 -0.001 0.000 0.196 188 E C 1.658 178.252 176.600 -0.009 0.000 1.000 188 E CA 1.510 57.903 56.400 -0.012 0.000 0.804 188 E CB 0.105 29.799 29.700 -0.010 0.000 0.740 188 E HN 0.578 nan 8.360 nan 0.000 0.454 189 E N -0.013 120.183 120.200 -0.007 0.000 2.153 189 E HA -0.214 4.135 4.350 -0.001 0.000 0.194 189 E C 1.768 178.367 176.600 -0.003 0.000 0.988 189 E CA 0.892 57.290 56.400 -0.003 0.000 0.811 189 E CB 0.120 29.819 29.700 -0.002 0.000 0.746 189 E HN 0.237 nan 8.360 nan 0.000 0.466 190 E N 0.732 120.928 120.200 -0.007 0.000 2.072 190 E HA -0.155 4.195 4.350 -0.001 0.000 0.191 190 E C 2.350 178.945 176.600 -0.009 0.000 0.985 190 E CA 0.674 57.069 56.400 -0.007 0.000 0.801 190 E CB -0.240 29.453 29.700 -0.012 0.000 0.750 190 E HN 0.408 nan 8.360 nan 0.000 0.452 191 L N 0.228 121.442 121.223 -0.014 0.000 2.046 191 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 191 L C 2.657 179.524 176.870 -0.006 0.000 1.077 191 L CA 1.170 55.998 54.840 -0.019 0.000 0.747 191 L CB -0.345 41.697 42.059 -0.027 0.000 0.896 191 L HN 0.021 nan 8.230 nan 0.000 0.432 192 R N 0.032 120.532 120.500 -0.001 0.000 2.096 192 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 192 R C 2.358 178.669 176.300 0.017 0.000 1.127 192 R CA 1.110 57.215 56.100 0.007 0.000 0.968 192 R CB -0.112 30.193 30.300 0.008 0.000 0.861 192 R HN 0.298 nan 8.270 nan 0.000 0.440 193 K N 0.312 120.721 120.400 0.015 0.000 2.057 193 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 193 K C 2.005 178.623 176.600 0.031 0.000 1.049 193 K CA 1.049 57.350 56.287 0.024 0.000 0.931 193 K CB -0.277 32.232 32.500 0.016 0.000 0.714 193 K HN 0.057 nan 8.250 nan 0.000 0.440 194 L N 1.357 122.593 121.223 0.022 0.000 2.017 194 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 194 L C 2.233 179.129 176.870 0.043 0.000 1.073 194 L CA 1.914 56.772 54.840 0.029 0.000 0.745 194 L CB -0.834 41.233 42.059 0.014 0.000 0.894 194 L HN 0.126 nan 8.230 nan 0.000 0.432 195 A N -1.064 121.776 122.820 0.033 0.000 1.902 195 A HA -0.302 4.018 4.320 -0.001 0.000 0.217 195 A C 2.336 179.933 177.584 0.021 0.000 1.181 195 A CA 1.882 53.938 52.037 0.033 0.000 0.623 195 A CB -0.740 18.271 19.000 0.019 0.000 0.818 195 A HN 0.679 nan 8.150 nan 0.000 0.443 196 Q N -0.618 119.205 119.800 0.039 0.000 2.084 196 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 196 Q C 2.046 178.119 176.000 0.121 0.000 0.978 196 Q CA 1.431 57.279 55.803 0.074 0.000 0.844 196 Q CB -0.219 28.587 28.738 0.113 0.000 0.898 196 Q HN 0.688 nan 8.270 nan 0.000 0.426 197 L N 0.316 121.599 121.223 0.099 0.000 2.017 197 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 197 L C 2.222 179.138 176.870 0.076 0.000 1.073 197 L CA 1.149 56.051 54.840 0.104 0.000 0.745 197 L CB -0.190 41.908 42.059 0.066 0.000 0.894 197 L HN 0.383 nan 8.230 nan 0.000 0.432 198 L N -0.615 120.633 121.223 0.043 0.000 2.083 198 L HA -0.247 4.092 4.340 -0.001 0.000 0.209 198 L C 2.722 179.561 176.870 -0.053 0.000 1.083 198 L CA 1.153 55.999 54.840 0.010 0.000 0.752 198 L CB -0.552 41.530 42.059 0.038 0.000 0.899 198 L HN 0.296 nan 8.230 nan 0.000 0.433 199 R N -0.415 120.019 120.500 -0.110 0.000 2.127 199 R HA -0.192 4.148 4.340 -0.001 0.000 0.238 199 R C 1.152 177.215 176.300 -0.395 0.000 1.134 199 R CA 1.561 57.484 56.100 -0.294 0.000 0.975 199 R CB -0.009 30.029 30.300 -0.436 0.000 0.865 199 R HN 0.292 nan 8.270 nan 0.000 0.447 200 Y N -0.617 119.672 120.300 -0.017 0.000 2.607 200 Y HA 0.371 4.920 4.550 -0.001 0.000 0.266 200 Y C -0.142 175.739 175.900 -0.031 0.000 1.178 200 Y CA -0.361 57.726 58.100 -0.022 0.000 1.226 200 Y CB 0.844 39.293 38.460 -0.017 0.000 1.144 200 Y HN -0.115 nan 8.280 nan 0.000 0.528 201 S N -0.620 115.112 115.700 0.053 0.000 2.578 201 S HA 0.723 5.192 4.470 -0.001 0.000 0.301 201 S C -0.110 174.466 174.600 -0.039 0.000 1.091 201 S CA -0.706 57.498 58.200 0.007 0.000 1.032 201 S CB 1.832 65.028 63.200 -0.008 0.000 1.064 201 S HN 0.065 nan 8.310 nan 0.000 0.508 202 S N 1.599 117.256 115.700 -0.072 0.000 2.671 202 S HA 0.529 4.998 4.470 -0.001 0.000 0.299 202 S C -0.730 173.740 174.600 -0.217 0.000 1.116 202 S CA -1.081 57.053 58.200 -0.110 0.000 0.912 202 S CB 0.858 64.006 63.200 -0.088 0.000 1.130 202 S HN 0.740 nan 8.310 nan 0.000 0.501 203 N N 0.821 119.346 118.700 -0.291 0.000 2.688 203 N HA -0.150 4.590 4.740 -0.001 0.000 0.258 203 N C -1.096 173.984 175.510 -0.717 0.000 1.016 203 N CA 0.573 53.163 53.050 -0.768 0.000 0.747 203 N CB -1.399 36.536 38.487 -0.920 0.000 0.895 203 N HN 0.570 nan 8.380 nan 0.000 0.543 204 I N -0.011 120.403 120.570 -0.259 0.000 2.353 204 I HA 0.537 4.706 4.170 -0.001 0.000 0.293 204 I C 0.843 177.021 176.117 0.101 0.000 0.992 204 I CA -0.617 60.623 61.300 -0.100 0.000 1.268 204 I CB 1.482 39.430 38.000 -0.086 0.000 1.387 204 I HN 0.283 nan 8.210 nan 0.000 0.478 205 A N 7.277 130.163 122.820 0.110 0.000 2.380 205 A HA 0.873 5.192 4.320 -0.001 0.000 0.315 205 A C -0.836 176.781 177.584 0.055 0.000 1.101 205 A CA -0.636 51.491 52.037 0.150 0.000 0.771 205 A CB 1.225 20.347 19.000 0.204 0.000 1.287 205 A HN 0.673 nan 8.150 nan 0.000 0.436 206 L N 1.553 122.793 121.223 0.028 0.000 2.307 206 L HA 0.578 4.917 4.340 -0.001 0.000 0.284 206 L C -0.398 176.477 176.870 0.008 0.000 1.023 206 L CA -0.579 54.284 54.840 0.038 0.000 0.810 206 L CB 1.709 43.798 42.059 0.049 0.000 1.231 206 L HN 0.767 nan 8.230 nan 0.000 0.423 207 M N 4.090 123.699 119.600 0.016 0.000 2.066 207 M HA 0.412 4.892 4.480 -0.001 0.000 0.340 207 M C -1.213 175.099 176.300 0.021 0.000 1.053 207 M CA -0.100 55.180 55.300 -0.033 0.000 0.983 207 M CB 0.647 33.214 32.600 -0.055 0.000 1.520 207 M HN 0.564 nan 8.290 nan 0.000 0.428 208 C N 3.861 123.178 119.300 0.028 0.000 2.379 208 C HA 0.983 5.442 4.460 -0.001 0.000 0.323 208 C C 0.812 175.865 174.990 0.106 0.000 1.262 208 C CA -0.741 58.321 59.018 0.073 0.000 1.581 208 C CB 0.662 28.447 27.740 0.075 0.000 2.221 208 C HN 1.015 nan 8.230 nan 0.000 0.497 209 G N 0.912 109.781 108.800 0.116 0.000 3.075 209 G HA2 0.496 4.455 3.960 -0.001 0.000 0.253 209 G HA3 0.496 4.455 3.960 -0.001 0.000 0.253 209 G C 0.854 175.845 174.900 0.153 0.000 1.353 209 G CA 0.377 45.567 45.100 0.150 0.000 1.051 209 G HN 0.822 nan 8.290 nan 0.000 0.553 210 S N -1.230 114.580 115.700 0.185 0.000 2.507 210 S HA 0.023 4.493 4.470 -0.001 0.000 0.235 210 S C 2.204 176.810 174.600 0.011 0.000 0.988 210 S CA 1.350 59.655 58.200 0.175 0.000 0.944 210 S CB -0.352 63.004 63.200 0.260 0.000 0.762 210 S HN 0.973 nan 8.310 nan 0.000 0.526 211 G N 0.412 109.234 108.800 0.038 0.000 2.498 211 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.219 211 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.219 211 G C 1.180 176.059 174.900 -0.034 0.000 1.119 211 G CA 0.866 45.961 45.100 -0.008 0.000 0.766 211 G HN 0.661 nan 8.290 nan 0.000 0.552 212 C N 1.052 120.340 119.300 -0.019 0.000 2.576 212 C HA 0.582 5.042 4.460 -0.001 0.000 0.267 212 C C 1.967 176.924 174.990 -0.056 0.000 1.364 212 C CA -0.883 58.126 59.018 -0.015 0.000 1.723 212 C CB -1.479 26.280 27.740 0.033 0.000 1.778 212 C HN 0.596 nan 8.230 nan 0.000 0.572 213 A N 0.551 123.232 122.820 -0.232 0.000 2.567 213 A HA 0.399 4.718 4.320 -0.001 0.000 0.240 213 A C 1.482 179.000 177.584 -0.110 0.000 1.053 213 A CA 1.178 52.973 52.037 -0.403 0.000 0.755 213 A CB -0.501 18.001 19.000 -0.829 0.000 0.978 213 A HN 1.487 nan 8.150 nan 0.000 0.507 214 G N 0.897 109.705 108.800 0.013 0.000 2.199 214 G HA2 0.047 4.006 3.960 -0.001 0.000 0.254 214 G HA3 0.047 4.006 3.960 -0.001 0.000 0.254 214 G C 0.759 175.694 174.900 0.058 0.000 0.982 214 G CA 0.802 45.929 45.100 0.046 0.000 0.632 214 G HN 2.203 nan 8.290 nan 0.000 0.529 215 A N -0.269 122.586 122.820 0.058 0.000 2.535 215 A HA 0.548 4.867 4.320 -0.001 0.000 0.273 215 A C 1.224 178.847 177.584 0.066 0.000 1.267 215 A CA 1.134 53.196 52.037 0.042 0.000 0.940 215 A CB -0.378 18.620 19.000 -0.002 0.000 1.101 215 A HN 0.605 nan 8.150 nan 0.000 0.521 216 H N 1.291 120.374 119.070 0.023 0.000 2.289 216 H HA -0.192 4.364 4.556 -0.001 0.000 0.296 216 H C 1.974 177.301 175.328 -0.002 0.000 1.091 216 H CA 2.275 58.319 56.048 -0.007 0.000 1.274 216 H CB 0.071 29.826 29.762 -0.011 0.000 1.364 216 H HN 0.570 nan 8.280 nan 0.000 0.490 217 K N 0.393 120.880 120.400 0.145 0.000 2.032 217 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 217 K C 2.088 178.701 176.600 0.021 0.000 1.048 217 K CA 2.047 58.391 56.287 0.095 0.000 0.927 217 K CB 0.068 32.633 32.500 0.108 0.000 0.712 217 K HN 0.250 nan 8.250 nan 0.000 0.441 218 E N 0.893 121.102 120.200 0.015 0.000 2.072 218 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 218 E C 1.780 178.385 176.600 0.008 0.000 0.985 218 E CA 0.884 57.286 56.400 0.002 0.000 0.801 218 E CB -0.239 29.448 29.700 -0.023 0.000 0.750 218 E HN 0.221 nan 8.360 nan 0.000 0.452 219 L N 0.129 121.337 121.223 -0.025 0.000 2.017 219 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 219 L C 2.065 178.922 176.870 -0.022 0.000 1.073 219 L CA 1.507 56.344 54.840 -0.006 0.000 0.745 219 L CB -0.508 41.511 42.059 -0.067 0.000 0.894 219 L HN 0.027 nan 8.230 nan 0.000 0.432 220 V N -0.197 119.646 119.914 -0.117 0.000 2.427 220 V HA -0.278 3.842 4.120 -0.001 0.000 0.248 220 V C 2.608 178.690 176.094 -0.019 0.000 1.051 220 V CA 1.937 64.202 62.300 -0.058 0.000 1.048 220 V CB -0.588 31.169 31.823 -0.110 0.000 0.666 220 V HN 0.617 nan 8.190 nan 0.000 0.456 221 E N -0.477 119.728 120.200 0.009 0.000 2.072 221 E HA -0.251 4.099 4.350 -0.001 0.000 0.191 221 E C 2.110 178.715 176.600 0.008 0.000 0.985 221 E CA 1.425 57.837 56.400 0.021 0.000 0.801 221 E CB -0.178 29.548 29.700 0.043 0.000 0.750 221 E HN 0.529 nan 8.360 nan 0.000 0.452 222 F N 1.335 121.206 119.950 -0.133 0.000 2.075 222 F HA -0.121 4.405 4.527 -0.001 0.000 0.297 222 F C 2.094 177.760 175.800 -0.224 0.000 1.113 222 F CA 1.667 59.581 58.000 -0.142 0.000 1.218 222 F CB -0.851 38.083 39.000 -0.110 0.000 0.984 222 F HN 0.079 nan 8.300 nan 0.000 0.472 223 A N 0.254 122.833 122.820 -0.402 0.000 1.908 223 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 223 A C 2.509 179.541 177.584 -0.921 0.000 1.181 223 A CA 1.855 53.476 52.037 -0.693 0.000 0.627 223 A CB -1.823 16.791 19.000 -0.643 0.000 0.818 223 A HN 0.532 nan 8.150 nan 0.000 0.445 224 G N -0.752 107.473 108.800 -0.959 0.000 2.408 224 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 224 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 224 G C 1.641 176.362 174.900 -0.298 0.000 1.150 224 G CA 1.167 45.877 45.100 -0.649 0.000 0.776 224 G HN 0.577 nan 8.290 nan 0.000 0.542 225 K N 0.440 120.686 120.400 -0.257 0.000 2.025 225 K HA 0.019 4.338 4.320 -0.001 0.000 0.207 225 K C 2.306 178.784 176.600 -0.203 0.000 1.049 225 K CA 1.375 57.565 56.287 -0.163 0.000 0.933 225 K CB -0.231 32.217 32.500 -0.088 0.000 0.714 225 K HN 0.508 nan 8.250 nan 0.000 0.438 226 I N -2.659 117.710 120.570 -0.335 0.000 3.883 226 I HA 0.128 4.297 4.170 -0.001 0.000 0.326 226 I C -0.759 175.212 176.117 -0.243 0.000 1.283 226 I CA -0.322 60.798 61.300 -0.300 0.000 1.161 226 I CB 0.407 38.157 38.000 -0.417 0.000 1.012 226 I HN -0.055 nan 8.210 nan 0.000 0.421 227 K N 1.524 121.769 120.400 -0.259 0.000 3.393 227 K HA -0.142 4.178 4.320 -0.001 0.000 0.272 227 K C -0.181 176.346 176.600 -0.121 0.000 1.004 227 K CA 0.986 57.176 56.287 -0.161 0.000 0.764 227 K CB -2.090 30.377 32.500 -0.055 0.000 1.373 227 K HN 0.651 nan 8.250 nan 0.000 0.458 228 A N 1.543 124.225 122.820 -0.230 0.000 2.304 228 A HA 0.618 4.937 4.320 -0.001 0.000 0.314 228 A C -2.081 175.448 177.584 -0.091 0.000 1.187 228 A CA -1.482 50.485 52.037 -0.117 0.000 0.810 228 A CB 1.087 19.965 19.000 -0.202 0.000 1.183 228 A HN 0.027 nan 8.150 nan 0.000 0.487 229 P HA 0.255 nan 4.420 nan 0.000 0.269 229 P C -0.654 176.626 177.300 -0.033 0.000 1.215 229 P CA 0.247 63.324 63.100 -0.038 0.000 0.780 229 P CB 0.812 32.417 31.700 -0.159 0.000 0.898 230 I N 1.860 122.414 120.570 -0.028 0.000 2.404 230 I HA 0.301 4.470 4.170 -0.001 0.000 0.293 230 I C 0.460 176.534 176.117 -0.072 0.000 0.992 230 I CA -0.971 60.312 61.300 -0.027 0.000 1.149 230 I CB 1.993 39.998 38.000 0.009 0.000 1.315 230 I HN 0.113 nan 8.210 nan 0.000 0.446 231 V N 6.435 126.286 119.914 -0.105 0.000 2.667 231 V HA 0.586 4.705 4.120 -0.001 0.000 0.308 231 V C -0.801 175.195 176.094 -0.164 0.000 1.048 231 V CA -0.196 61.976 62.300 -0.213 0.000 0.928 231 V CB 1.740 33.374 31.823 -0.315 0.000 1.004 231 V HN 0.813 nan 8.190 nan 0.000 0.444 232 H N 4.298 123.267 119.070 -0.168 0.000 2.524 232 H HA 0.824 5.379 4.556 -0.001 0.000 0.353 232 H C -0.161 175.086 175.328 -0.135 0.000 1.136 232 H CA -0.370 55.611 56.048 -0.110 0.000 1.193 232 H CB 1.781 31.515 29.762 -0.047 0.000 1.558 232 H HN 0.979 nan 8.280 nan 0.000 0.515 233 A N 2.730 125.571 122.820 0.036 0.000 2.366 233 A HA 0.131 4.450 4.320 -0.001 0.000 0.249 233 A C 1.373 179.037 177.584 0.134 0.000 1.084 233 A CA -0.556 51.532 52.037 0.086 0.000 0.794 233 A CB 0.331 19.450 19.000 0.197 0.000 1.034 233 A HN 0.721 nan 8.150 nan 0.000 0.491 234 L N 0.826 122.084 121.223 0.058 0.000 2.043 234 L HA -0.178 4.162 4.340 -0.001 0.000 0.212 234 L C 2.351 179.158 176.870 -0.106 0.000 1.075 234 L CA 2.056 56.833 54.840 -0.106 0.000 0.752 234 L CB -0.520 41.318 42.059 -0.367 0.000 0.891 234 L HN 0.757 nan 8.230 nan 0.000 0.432 235 R N -0.847 119.659 120.500 0.011 0.000 2.307 235 R HA 0.061 4.400 4.340 -0.001 0.000 0.199 235 R C 1.873 178.298 176.300 0.208 0.000 1.000 235 R CA 0.694 56.878 56.100 0.140 0.000 1.023 235 R CB -0.527 29.924 30.300 0.253 0.000 0.908 235 R HN 0.550 nan 8.270 nan 0.000 0.473 236 G N 1.281 110.191 108.800 0.184 0.000 2.777 236 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.211 236 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.211 236 G C 1.323 176.261 174.900 0.063 0.000 1.149 236 G CA -0.192 45.034 45.100 0.210 0.000 0.785 236 G HN 0.203 nan 8.290 nan 0.000 0.536 237 K N 1.607 121.990 120.400 -0.028 0.000 2.020 237 K HA -0.215 4.104 4.320 -0.001 0.000 0.212 237 K C 2.365 178.867 176.600 -0.162 0.000 1.050 237 K CA 1.964 58.090 56.287 -0.268 0.000 0.929 237 K CB -0.280 32.163 32.500 -0.095 0.000 0.714 237 K HN 0.508 nan 8.250 nan 0.000 0.443 238 E N -0.923 119.199 120.200 -0.130 0.000 2.265 238 E HA -0.208 4.142 4.350 -0.001 0.000 0.196 238 E C 1.306 177.852 176.600 -0.091 0.000 0.996 238 E CA 1.130 57.435 56.400 -0.157 0.000 0.832 238 E CB -0.173 29.373 29.700 -0.256 0.000 0.756 238 E HN 0.537 nan 8.360 nan 0.000 0.491 239 H N -0.471 118.699 119.070 0.168 0.000 2.595 239 H HA 0.206 4.761 4.556 -0.001 0.000 0.265 239 H C 1.446 176.912 175.328 0.230 0.000 0.953 239 H CA 0.705 56.898 56.048 0.241 0.000 1.197 239 H CB 1.260 31.116 29.762 0.157 0.000 1.438 239 H HN 0.127 nan 8.280 nan 0.000 0.531 240 V N -0.275 119.744 119.914 0.174 0.000 3.350 240 V HA 0.016 4.135 4.120 -0.001 0.000 0.246 240 V C 1.032 177.069 176.094 -0.096 0.000 1.363 240 V CA 0.096 62.408 62.300 0.020 0.000 1.162 240 V CB 1.131 32.954 31.823 -0.000 0.000 0.947 240 V HN 0.149 nan 8.190 nan 0.000 0.454 241 E N 1.419 121.553 120.200 -0.109 0.000 2.325 241 E HA 0.256 4.606 4.350 -0.001 0.000 0.295 241 E C -1.136 175.552 176.600 0.148 0.000 1.461 241 E CA -0.237 56.114 56.400 -0.082 0.000 1.698 241 E CB -0.024 29.525 29.700 -0.253 0.000 1.496 241 E HN 0.683 nan 8.360 nan 0.000 0.474 242 Y N -2.810 117.535 120.300 0.076 0.000 2.604 242 Y HA 0.226 4.775 4.550 -0.001 0.000 0.331 242 Y C -0.663 175.327 175.900 0.150 0.000 1.158 242 Y CA -1.635 56.503 58.100 0.063 0.000 1.056 242 Y CB 0.464 38.920 38.460 -0.006 0.000 1.330 242 Y HN -0.061 nan 8.280 nan 0.000 0.457 243 D N 1.763 122.272 120.400 0.182 0.000 2.720 243 D HA -0.234 4.405 4.640 -0.001 0.000 0.229 243 D C -0.863 175.490 176.300 0.088 0.000 1.198 243 D CA 1.546 55.625 54.000 0.131 0.000 0.639 243 D CB -0.792 40.117 40.800 0.181 0.000 1.003 243 D HN 0.685 nan 8.370 nan 0.000 0.411 244 N N 0.150 118.850 118.700 -0.001 0.000 2.653 244 N HA 0.169 4.908 4.740 -0.001 0.000 0.261 244 N C -2.143 173.264 175.510 -0.172 0.000 1.216 244 N CA -1.446 51.559 53.050 -0.075 0.000 0.784 244 N CB 1.336 39.775 38.487 -0.080 0.000 1.327 244 N HN -0.194 nan 8.380 nan 0.000 0.539 245 P HA 0.023 nan 4.420 nan 0.000 0.242 245 P C 0.190 177.125 177.300 -0.607 0.000 1.197 245 P CA 0.717 63.526 63.100 -0.485 0.000 0.765 245 P CB 0.056 31.392 31.700 -0.607 0.000 0.936 246 Y N -0.846 119.383 120.300 -0.118 0.000 2.478 246 Y HA 0.181 4.730 4.550 -0.001 0.000 0.261 246 Y C 1.160 176.950 175.900 -0.183 0.000 1.127 246 Y CA -0.790 57.227 58.100 -0.138 0.000 1.288 246 Y CB -0.331 38.056 38.460 -0.121 0.000 1.084 246 Y HN -0.039 nan 8.280 nan 0.000 0.530 247 D N 1.442 121.773 120.400 -0.116 0.000 2.383 247 D HA 0.111 4.750 4.640 -0.001 0.000 0.252 247 D C 0.663 176.696 176.300 -0.444 0.000 1.166 247 D CA 0.321 54.223 54.000 -0.164 0.000 0.879 247 D CB 1.787 42.541 40.800 -0.077 0.000 1.164 247 D HN 0.179 nan 8.370 nan 0.000 0.462 248 V N 1.313 121.008 119.914 -0.364 0.000 3.159 248 V HA 0.552 4.671 4.120 -0.001 0.000 0.333 248 V C 0.777 176.768 176.094 -0.171 0.000 1.424 248 V CA 0.558 62.578 62.300 -0.467 0.000 1.125 248 V CB -0.098 31.602 31.823 -0.204 0.000 1.075 248 V HN 0.813 nan 8.190 nan 0.000 0.482 249 G N 0.875 109.558 108.800 -0.195 0.000 2.418 249 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.206 249 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.206 249 G C -0.704 173.645 174.900 -0.918 0.000 1.202 249 G CA -0.143 44.732 45.100 -0.376 0.000 1.061 249 G HN 0.485 nan 8.290 nan 0.000 0.563 250 M N 0.710 119.585 119.600 -1.207 0.000 2.619 250 M HA 0.598 5.077 4.480 -0.001 0.000 0.297 250 M C 0.453 176.337 176.300 -0.695 0.000 1.229 250 M CA -0.520 54.251 55.300 -0.882 0.000 0.860 250 M CB 2.572 34.773 32.600 -0.664 0.000 1.741 250 M HN 0.897 nan 8.290 nan 0.000 0.462 251 T N -1.192 113.051 114.554 -0.518 0.000 2.855 251 T HA 0.926 5.275 4.350 -0.001 0.000 0.275 251 T C 0.342 174.806 174.700 -0.394 0.000 1.022 251 T CA -0.174 61.711 62.100 -0.358 0.000 0.977 251 T CB 1.098 69.799 68.868 -0.279 0.000 1.559 251 T HN 1.103 nan 8.240 nan 0.000 0.600 252 G N -0.710 107.608 108.800 -0.804 0.000 2.795 252 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.664 252 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.664 252 G C 0.380 174.795 174.900 -0.807 0.000 1.381 252 G CA -0.262 44.078 45.100 -1.267 0.000 0.853 252 G HN 0.802 nan 8.290 nan 0.000 0.545 253 L N 0.193 121.037 121.223 -0.631 0.000 2.187 253 L HA -0.031 4.309 4.340 -0.001 0.000 0.213 253 L C 2.713 179.453 176.870 -0.216 0.000 1.100 253 L CA 2.079 56.760 54.840 -0.265 0.000 0.765 253 L CB -0.356 41.577 42.059 -0.209 0.000 0.904 253 L HN 0.680 nan 8.230 nan 0.000 0.437 254 I N -3.560 116.860 120.570 -0.251 0.000 3.883 254 I HA 0.281 4.450 4.170 -0.001 0.000 0.326 254 I C 1.297 177.368 176.117 -0.077 0.000 1.283 254 I CA -0.144 61.060 61.300 -0.160 0.000 1.161 254 I CB -0.474 37.415 38.000 -0.185 0.000 1.012 254 I HN -0.025 nan 8.210 nan 0.000 0.421 255 G N 1.704 110.413 108.800 -0.151 0.000 2.485 255 G HA2 0.459 4.418 3.960 -0.001 0.000 0.260 255 G HA3 0.459 4.418 3.960 -0.001 0.000 0.260 255 G C -0.523 174.396 174.900 0.033 0.000 1.459 255 G CA -0.273 44.708 45.100 -0.199 0.000 1.060 255 G HN 0.406 nan 8.290 nan 0.000 0.546 256 F N -3.410 116.488 119.950 -0.088 0.000 2.726 256 F HA 0.538 5.064 4.527 -0.001 0.000 0.324 256 F C 1.424 177.204 175.800 -0.033 0.000 1.140 256 F CA -0.518 57.443 58.000 -0.066 0.000 0.964 256 F CB 0.967 39.931 39.000 -0.060 0.000 1.399 256 F HN 0.467 nan 8.300 nan 0.000 0.491 257 S N 0.030 115.835 115.700 0.175 0.000 2.365 257 S HA -0.244 4.225 4.470 -0.001 0.000 0.225 257 S C 1.864 176.492 174.600 0.048 0.000 1.039 257 S CA 1.865 60.081 58.200 0.026 0.000 1.033 257 S CB -1.399 61.849 63.200 0.079 0.000 0.887 257 S HN 0.859 nan 8.310 nan 0.000 0.447 258 S N 2.294 118.098 115.700 0.174 0.000 2.356 258 S HA 0.019 4.488 4.470 -0.001 0.000 0.223 258 S C 2.176 176.782 174.600 0.009 0.000 1.032 258 S CA 1.086 59.381 58.200 0.159 0.000 1.005 258 S CB -1.756 61.619 63.200 0.292 0.000 0.867 258 S HN 0.721 nan 8.310 nan 0.000 0.449 259 G N 0.895 109.607 108.800 -0.147 0.000 2.421 259 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.216 259 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.216 259 G C 1.194 175.999 174.900 -0.158 0.000 1.171 259 G CA 0.857 45.792 45.100 -0.274 0.000 0.775 259 G HN 0.497 nan 8.290 nan 0.000 0.543 260 F N 1.404 121.211 119.950 -0.238 0.000 2.046 260 F HA -0.150 4.377 4.527 -0.001 0.000 0.297 260 F C 2.793 178.544 175.800 -0.082 0.000 1.123 260 F CA 2.154 60.057 58.000 -0.161 0.000 1.199 260 F CB -0.372 38.507 39.000 -0.202 0.000 0.972 260 F HN 0.189 nan 8.300 nan 0.000 0.474 261 H N -0.598 118.456 119.070 -0.027 0.000 2.387 261 H HA -0.081 4.474 4.556 -0.001 0.000 0.299 261 H C 2.309 177.586 175.328 -0.084 0.000 1.090 261 H CA 1.858 57.851 56.048 -0.091 0.000 1.332 261 H CB -1.149 28.649 29.762 0.059 0.000 1.386 261 H HN 0.278 nan 8.280 nan 0.000 0.516 262 T N 1.466 116.041 114.554 0.035 0.000 2.746 262 T HA -0.127 4.222 4.350 -0.001 0.000 0.267 262 T C 2.270 177.020 174.700 0.083 0.000 1.039 262 T CA 0.981 63.089 62.100 0.014 0.000 1.142 262 T CB -0.059 68.744 68.868 -0.108 0.000 0.866 262 T HN 0.159 nan 8.240 nan 0.000 0.444 263 M N 0.472 120.035 119.600 -0.061 0.000 2.086 263 M HA 0.006 4.485 4.480 -0.001 0.000 0.261 263 M C 2.342 178.594 176.300 -0.080 0.000 1.067 263 M CA 1.422 56.667 55.300 -0.091 0.000 1.116 263 M CB -0.740 31.738 32.600 -0.205 0.000 1.348 263 M HN 0.240 nan 8.290 nan 0.000 0.407 264 M N 0.091 119.579 119.600 -0.187 0.000 2.159 264 M HA -0.156 4.323 4.480 -0.001 0.000 0.263 264 M C 1.274 177.548 176.300 -0.044 0.000 1.063 264 M CA 1.411 56.605 55.300 -0.177 0.000 1.110 264 M CB -1.468 30.910 32.600 -0.370 0.000 1.374 264 M HN 0.244 nan 8.290 nan 0.000 0.411 265 N N 0.339 119.061 118.700 0.036 0.000 2.353 265 N HA 0.152 4.892 4.740 -0.001 0.000 0.185 265 N C 0.374 175.902 175.510 0.030 0.000 1.098 265 N CA 0.163 53.262 53.050 0.082 0.000 0.872 265 N CB -0.081 38.511 38.487 0.176 0.000 0.970 265 N HN 0.180 nan 8.380 nan 0.000 0.467 266 A N 0.710 123.550 122.820 0.033 0.000 2.498 266 A HA 0.062 4.381 4.320 -0.001 0.000 0.239 266 A C 0.618 178.077 177.584 -0.209 0.000 1.068 266 A CA 0.125 52.035 52.037 -0.212 0.000 0.766 266 A CB 0.312 19.291 19.000 -0.034 0.000 1.003 266 A HN 0.038 nan 8.150 nan 0.000 0.497 267 D N 0.087 120.302 120.400 -0.307 0.000 2.346 267 D HA 0.109 4.749 4.640 -0.001 0.000 0.206 267 D C -0.138 176.089 176.300 -0.122 0.000 1.001 267 D CA 1.276 55.169 54.000 -0.180 0.000 0.871 267 D CB 0.395 41.082 40.800 -0.188 0.000 0.943 267 D HN 0.500 nan 8.370 nan 0.000 0.518 268 T N 0.723 115.196 114.554 -0.135 0.000 2.971 268 T HA 0.451 4.800 4.350 -0.001 0.000 0.304 268 T C -1.199 173.479 174.700 -0.037 0.000 1.038 268 T CA -0.586 61.473 62.100 -0.068 0.000 1.007 268 T CB 2.285 71.113 68.868 -0.066 0.000 1.055 268 T HN -0.171 nan 8.240 nan 0.000 0.451 269 L N 4.006 125.235 121.223 0.009 0.000 2.381 269 L HA 0.770 5.109 4.340 -0.001 0.000 0.274 269 L C -1.250 175.658 176.870 0.064 0.000 0.988 269 L CA -0.646 54.222 54.840 0.046 0.000 0.824 269 L CB 1.783 43.891 42.059 0.082 0.000 1.263 269 L HN 0.502 nan 8.230 nan 0.000 0.410 270 V N 6.328 126.288 119.914 0.076 0.000 2.334 270 V HA 0.387 4.506 4.120 -0.001 0.000 0.281 270 V C 0.026 176.180 176.094 0.100 0.000 1.016 270 V CA -0.598 61.759 62.300 0.096 0.000 0.832 270 V CB 1.264 33.174 31.823 0.145 0.000 0.999 270 V HN 0.556 nan 8.190 nan 0.000 0.439 271 L N 6.465 127.748 121.223 0.099 0.000 2.283 271 L HA 0.460 4.799 4.340 -0.001 0.000 0.287 271 L C -0.472 176.448 176.870 0.083 0.000 1.073 271 L CA -0.106 54.802 54.840 0.112 0.000 0.822 271 L CB 0.521 42.665 42.059 0.142 0.000 1.186 271 L HN 0.459 nan 8.230 nan 0.000 0.436 272 L N 3.857 125.127 121.223 0.077 0.000 2.295 272 L HA 0.406 4.745 4.340 -0.001 0.000 0.281 272 L C 0.969 177.872 176.870 0.055 0.000 1.018 272 L CA -0.508 54.363 54.840 0.051 0.000 0.841 272 L CB 1.405 43.491 42.059 0.045 0.000 1.218 272 L HN 0.876 nan 8.230 nan 0.000 0.424 273 G N 1.787 110.613 108.800 0.044 0.000 2.371 273 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.299 273 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.299 273 G C 0.057 175.009 174.900 0.088 0.000 1.014 273 G CA 0.795 45.923 45.100 0.046 0.000 1.097 273 G HN 0.609 nan 8.290 nan 0.000 0.512 274 T N -1.388 113.237 114.554 0.118 0.000 2.903 274 T HA 0.660 5.009 4.350 -0.001 0.000 0.299 274 T C 0.444 175.272 174.700 0.214 0.000 1.093 274 T CA -0.358 61.845 62.100 0.172 0.000 1.002 274 T CB 1.759 70.739 68.868 0.188 0.000 1.127 274 T HN 0.211 nan 8.240 nan 0.000 0.488 275 Q N 1.861 121.804 119.800 0.239 0.000 2.118 275 Q HA 0.273 4.613 4.340 -0.001 0.000 0.219 275 Q C -0.531 175.553 176.000 0.140 0.000 0.794 275 Q CA -0.467 55.486 55.803 0.251 0.000 1.035 275 Q CB 0.432 29.299 28.738 0.214 0.000 1.177 275 Q HN 0.718 nan 8.270 nan 0.000 0.478 276 F N 3.924 123.899 119.950 0.041 0.000 2.417 276 F HA -0.061 4.465 4.527 -0.001 0.000 0.412 276 F C -1.703 173.934 175.800 -0.270 0.000 0.964 276 F CA -0.669 57.280 58.000 -0.085 0.000 1.081 276 F CB 0.961 39.941 39.000 -0.032 0.000 0.909 276 F HN 0.083 nan 8.300 nan 0.000 0.522 277 P HA -0.027 nan 4.420 nan 0.000 0.257 277 P C -0.798 175.923 177.300 -0.965 0.000 1.241 277 P CA 0.527 62.771 63.100 -1.427 0.000 0.816 277 P CB 0.022 30.959 31.700 -1.272 0.000 1.150 278 Y N 0.922 120.808 120.300 -0.689 0.000 2.627 278 Y HA 0.313 4.863 4.550 -0.001 0.000 0.347 278 Y C 1.896 177.961 175.900 0.275 0.000 1.099 278 Y CA -0.397 57.595 58.100 -0.181 0.000 1.408 278 Y CB -0.125 38.194 38.460 -0.234 0.000 1.247 278 Y HN -0.230 nan 8.280 nan 0.000 0.506 279 R N 1.686 122.420 120.500 0.390 0.000 2.127 279 R HA -0.193 4.146 4.340 -0.001 0.000 0.238 279 R C 2.048 178.615 176.300 0.445 0.000 1.134 279 R CA 1.378 57.764 56.100 0.477 0.000 0.975 279 R CB -0.130 30.344 30.300 0.290 0.000 0.865 279 R HN 0.722 nan 8.270 nan 0.000 0.447 280 A N -0.222 122.781 122.820 0.306 0.000 2.168 280 A HA -0.037 4.282 4.320 -0.001 0.000 0.215 280 A C 1.299 178.879 177.584 -0.006 0.000 1.152 280 A CA 0.706 52.800 52.037 0.095 0.000 0.716 280 A CB -0.287 18.678 19.000 -0.059 0.000 0.794 280 A HN 0.226 nan 8.150 nan 0.000 0.465 281 F N -1.996 118.111 119.950 0.262 0.000 2.765 281 F HA 0.215 4.741 4.527 -0.001 0.000 0.302 281 F C 0.198 176.006 175.800 0.013 0.000 1.111 281 F CA -0.143 57.960 58.000 0.172 0.000 1.359 281 F CB -0.130 39.035 39.000 0.276 0.000 1.097 281 F HN 0.137 nan 8.300 nan 0.000 0.577 282 Y N 2.198 122.660 120.300 0.270 0.000 2.309 282 Y HA 0.262 4.811 4.550 -0.001 0.000 0.327 282 Y C -1.605 174.330 175.900 0.059 0.000 1.172 282 Y CA -3.018 55.170 58.100 0.147 0.000 1.280 282 Y CB -0.149 38.408 38.460 0.162 0.000 1.234 282 Y HN -0.182 nan 8.280 nan 0.000 0.512 283 P HA 0.051 nan 4.420 nan 0.000 0.273 283 P C -0.050 177.302 177.300 0.087 0.000 1.250 283 P CA -0.048 63.098 63.100 0.076 0.000 0.793 283 P CB 1.232 32.955 31.700 0.039 0.000 1.011 284 T N -0.486 114.095 114.554 0.046 0.000 2.925 284 T HA -0.024 4.325 4.350 -0.001 0.000 0.245 284 T C 0.706 175.419 174.700 0.021 0.000 1.025 284 T CA 1.289 63.411 62.100 0.037 0.000 1.149 284 T CB -0.409 68.475 68.868 0.027 0.000 0.866 284 T HN 0.601 nan 8.240 nan 0.000 0.437 285 D N 1.098 121.503 120.400 0.010 0.000 2.643 285 D HA 0.439 5.078 4.640 -0.001 0.000 0.244 285 D C 0.029 176.325 176.300 -0.007 0.000 1.257 285 D CA -0.339 53.661 54.000 0.000 0.000 0.831 285 D CB -0.218 40.580 40.800 -0.005 0.000 1.043 285 D HN 0.282 nan 8.370 nan 0.000 0.488 286 A N 0.400 123.220 122.820 -0.002 0.000 2.286 286 A HA 0.448 4.767 4.320 -0.001 0.000 0.286 286 A C 0.204 177.784 177.584 -0.006 0.000 1.097 286 A CA -0.701 51.330 52.037 -0.011 0.000 0.821 286 A CB 0.891 19.890 19.000 -0.003 0.000 1.076 286 A HN 0.108 nan 8.150 nan 0.000 0.490 287 K N 0.752 121.144 120.400 -0.014 0.000 2.322 287 K HA 0.482 4.801 4.320 -0.001 0.000 0.283 287 K C -1.108 175.494 176.600 0.004 0.000 1.042 287 K CA 0.327 56.610 56.287 -0.007 0.000 0.958 287 K CB 0.244 32.738 32.500 -0.009 0.000 0.984 287 K HN 0.569 nan 8.250 nan 0.000 0.473 288 I N 5.874 126.447 120.570 0.006 0.000 2.436 288 I HA 0.337 4.507 4.170 -0.001 0.000 0.289 288 I C -0.529 175.596 176.117 0.013 0.000 1.010 288 I CA -0.772 60.537 61.300 0.015 0.000 1.098 288 I CB 1.555 39.555 38.000 0.001 0.000 1.266 288 I HN 0.453 nan 8.210 nan 0.000 0.434 289 I N 5.718 126.305 120.570 0.028 0.000 2.433 289 I HA 0.391 4.561 4.170 -0.001 0.000 0.292 289 I C -0.442 175.695 176.117 0.034 0.000 1.001 289 I CA -0.443 60.874 61.300 0.028 0.000 1.119 289 I CB 1.936 39.961 38.000 0.041 0.000 1.289 289 I HN 0.559 nan 8.210 nan 0.000 0.438 290 Q N 6.657 126.470 119.800 0.021 0.000 2.323 290 Q HA 0.647 4.986 4.340 -0.001 0.000 0.271 290 Q C -1.741 174.266 176.000 0.012 0.000 1.048 290 Q CA -0.557 55.261 55.803 0.025 0.000 0.792 290 Q CB 2.181 30.931 28.738 0.019 0.000 1.280 290 Q HN 0.608 nan 8.270 nan 0.000 0.441 291 I N 3.117 123.694 120.570 0.011 0.000 2.406 291 I HA 0.531 4.700 4.170 -0.001 0.000 0.290 291 I C -0.777 175.339 176.117 -0.003 0.000 0.999 291 I CA -0.632 60.663 61.300 -0.008 0.000 1.124 291 I CB 1.785 39.766 38.000 -0.031 0.000 1.289 291 I HN 0.626 nan 8.210 nan 0.000 0.441 292 D N 4.751 125.145 120.400 -0.010 0.000 2.654 292 D HA 0.301 4.940 4.640 -0.001 0.000 0.231 292 D C 0.347 176.633 176.300 -0.022 0.000 1.239 292 D CA -0.461 53.532 54.000 -0.010 0.000 0.790 292 D CB 2.504 43.305 40.800 0.002 0.000 1.480 292 D HN 0.532 nan 8.370 nan 0.000 0.442 293 I N -0.401 120.150 120.570 -0.031 0.000 3.059 293 I HA 0.170 4.339 4.170 -0.001 0.000 0.270 293 I C 0.716 176.813 176.117 -0.033 0.000 1.238 293 I CA 0.162 61.442 61.300 -0.033 0.000 1.478 293 I CB -0.133 37.843 38.000 -0.039 0.000 1.097 293 I HN -0.032 nan 8.210 nan 0.000 0.455 294 N N 1.814 120.492 118.700 -0.036 0.000 2.469 294 N HA 0.297 5.036 4.740 -0.001 0.000 0.253 294 N C -1.973 173.526 175.510 -0.019 0.000 0.970 294 N CA -2.535 50.495 53.050 -0.033 0.000 0.940 294 N CB 1.694 40.149 38.487 -0.053 0.000 1.128 294 N HN -0.199 nan 8.380 nan 0.000 0.503 295 P HA -0.107 nan 4.420 nan 0.000 0.217 295 P C 0.690 177.982 177.300 -0.012 0.000 1.148 295 P CA 1.122 64.215 63.100 -0.012 0.000 0.828 295 P CB 0.263 31.958 31.700 -0.009 0.000 0.783 296 A N -1.053 121.764 122.820 -0.006 0.000 2.121 296 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 296 A C 2.170 179.747 177.584 -0.012 0.000 1.154 296 A CA 1.576 53.610 52.037 -0.004 0.000 0.679 296 A CB -1.111 17.898 19.000 0.014 0.000 0.795 296 A HN 0.139 nan 8.150 nan 0.000 0.458 297 S N -0.596 115.101 115.700 -0.004 0.000 2.501 297 S HA 0.217 4.687 4.470 -0.001 0.000 0.220 297 S C 0.595 175.191 174.600 -0.007 0.000 0.997 297 S CA -0.130 58.077 58.200 0.011 0.000 0.919 297 S CB -0.181 63.038 63.200 0.032 0.000 0.778 297 S HN 0.506 nan 8.310 nan 0.000 0.523 298 I N 2.167 122.725 120.570 -0.019 0.000 2.421 298 I HA 0.267 4.436 4.170 -0.001 0.000 0.291 298 I C 1.286 177.372 176.117 -0.051 0.000 1.089 298 I CA 0.081 61.367 61.300 -0.024 0.000 1.354 298 I CB 0.342 38.331 38.000 -0.019 0.000 1.413 298 I HN 0.362 nan 8.210 nan 0.000 0.513 299 G N 4.500 113.261 108.800 -0.067 0.000 2.143 299 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.249 299 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.249 299 G C 0.975 175.784 174.900 -0.151 0.000 0.981 299 G CA 0.305 45.347 45.100 -0.097 0.000 0.665 299 G HN 0.781 nan 8.290 nan 0.000 0.528 300 A N -0.499 122.195 122.820 -0.209 0.000 1.968 300 A HA 0.215 4.535 4.320 -0.001 0.000 0.217 300 A C 1.560 178.720 177.584 -0.707 0.000 1.169 300 A CA 1.863 53.631 52.037 -0.450 0.000 0.638 300 A CB -0.227 18.458 19.000 -0.525 0.000 0.812 300 A HN 0.703 nan 8.150 nan 0.000 0.446 301 H N -1.417 117.623 119.070 -0.050 0.000 2.885 301 H HA 0.286 4.841 4.556 -0.001 0.000 0.254 301 H C -0.300 174.883 175.328 -0.243 0.000 1.185 301 H CA 0.621 56.643 56.048 -0.044 0.000 1.029 301 H CB 0.140 29.963 29.762 0.103 0.000 1.743 301 H HN 0.551 nan 8.280 nan 0.000 0.632 302 S N 0.241 115.794 115.700 -0.245 0.000 2.595 302 S HA 0.346 4.815 4.470 -0.001 0.000 0.270 302 S C -0.771 173.719 174.600 -0.184 0.000 1.145 302 S CA -1.186 56.813 58.200 -0.334 0.000 0.825 302 S CB 2.567 65.307 63.200 -0.766 0.000 1.107 302 S HN 0.311 nan 8.310 nan 0.000 0.461 303 K N 0.286 120.611 120.400 -0.126 0.000 2.286 303 K HA 0.618 4.938 4.320 -0.001 0.000 0.256 303 K C -0.857 175.694 176.600 -0.082 0.000 0.999 303 K CA -0.614 55.626 56.287 -0.080 0.000 0.908 303 K CB 0.344 32.815 32.500 -0.047 0.000 0.981 303 K HN 0.470 nan 8.250 nan 0.000 0.500 304 V N 2.140 122.022 119.914 -0.055 0.000 2.524 304 V HA 0.067 4.186 4.120 -0.001 0.000 0.297 304 V C -0.319 175.760 176.094 -0.025 0.000 1.035 304 V CA -0.708 61.568 62.300 -0.041 0.000 0.867 304 V CB 1.565 33.364 31.823 -0.039 0.000 1.004 304 V HN 0.941 nan 8.190 nan 0.000 0.426 305 D N 3.388 123.778 120.400 -0.016 0.000 2.240 305 D HA 0.121 4.760 4.640 -0.001 0.000 0.206 305 D C 0.431 176.728 176.300 -0.006 0.000 0.963 305 D CA 0.974 54.968 54.000 -0.010 0.000 0.863 305 D CB 0.902 41.698 40.800 -0.006 0.000 0.973 305 D HN 0.423 nan 8.370 nan 0.000 0.501 306 M N 0.645 120.243 119.600 -0.003 0.000 2.271 306 M HA 0.465 4.945 4.480 -0.001 0.000 0.285 306 M C -2.163 174.135 176.300 -0.002 0.000 1.059 306 M CA -0.425 54.874 55.300 -0.001 0.000 0.940 306 M CB 2.497 35.101 32.600 0.007 0.000 1.636 306 M HN -0.196 nan 8.290 nan 0.000 0.460 307 A N 4.925 127.741 122.820 -0.006 0.000 2.342 307 A HA 0.891 5.211 4.320 -0.001 0.000 0.323 307 A C -1.797 175.781 177.584 -0.010 0.000 1.125 307 A CA -0.574 51.458 52.037 -0.008 0.000 0.785 307 A CB 1.108 20.100 19.000 -0.012 0.000 1.221 307 A HN 0.739 nan 8.150 nan 0.000 0.463 308 L N 1.892 123.108 121.223 -0.012 0.000 2.408 308 L HA 0.508 4.847 4.340 -0.001 0.000 0.268 308 L C -0.482 176.376 176.870 -0.020 0.000 0.986 308 L CA -0.506 54.324 54.840 -0.017 0.000 0.820 308 L CB 2.071 44.115 42.059 -0.024 0.000 1.303 308 L HN 0.397 nan 8.230 nan 0.000 0.411 309 V N 1.913 121.814 119.914 -0.020 0.000 2.406 309 V HA 0.919 5.038 4.120 -0.001 0.000 0.272 309 V C 0.527 176.605 176.094 -0.027 0.000 1.043 309 V CA -0.078 62.209 62.300 -0.022 0.000 0.915 309 V CB 0.739 32.551 31.823 -0.019 0.000 0.988 309 V HN 0.912 nan 8.190 nan 0.000 0.466 310 G N 3.415 112.197 108.800 -0.030 0.000 2.519 310 G HA2 0.466 4.425 3.960 -0.001 0.000 0.292 310 G HA3 0.466 4.425 3.960 -0.001 0.000 0.292 310 G C -1.711 173.167 174.900 -0.038 0.000 1.507 310 G CA -0.770 44.309 45.100 -0.036 0.000 0.806 310 G HN 0.767 nan 8.290 nan 0.000 0.523 311 D N 0.308 120.685 120.400 -0.038 0.000 2.304 311 D HA 0.316 4.955 4.640 -0.001 0.000 0.250 311 D C 1.476 177.747 176.300 -0.049 0.000 1.107 311 D CA -0.715 53.262 54.000 -0.038 0.000 0.885 311 D CB 0.680 41.461 40.800 -0.030 0.000 1.192 311 D HN 0.095 nan 8.370 nan 0.000 0.436 312 I N 3.020 123.560 120.570 -0.050 0.000 2.179 312 I HA -0.188 3.981 4.170 -0.001 0.000 0.242 312 I C 2.202 178.274 176.117 -0.074 0.000 1.088 312 I CA 1.337 62.597 61.300 -0.066 0.000 1.357 312 I CB -1.178 36.792 38.000 -0.051 0.000 1.051 312 I HN 0.713 nan 8.210 nan 0.000 0.409 313 K N 0.941 121.311 120.400 -0.050 0.000 2.009 313 K HA -0.170 4.150 4.320 -0.001 0.000 0.210 313 K C 2.314 178.884 176.600 -0.050 0.000 1.049 313 K CA 2.079 58.341 56.287 -0.042 0.000 0.929 313 K CB 0.066 32.554 32.500 -0.020 0.000 0.714 313 K HN 0.153 nan 8.250 nan 0.000 0.440 314 S N 0.084 115.757 115.700 -0.045 0.000 2.383 314 S HA -0.097 4.372 4.470 -0.001 0.000 0.227 314 S C 1.877 176.439 174.600 -0.063 0.000 1.026 314 S CA 1.719 59.893 58.200 -0.044 0.000 0.981 314 S CB -0.300 62.880 63.200 -0.034 0.000 0.818 314 S HN 0.461 nan 8.310 nan 0.000 0.472 315 T N 3.060 117.566 114.554 -0.079 0.000 2.674 315 T HA 0.028 4.377 4.350 -0.001 0.000 0.265 315 T C 1.778 176.387 174.700 -0.152 0.000 1.039 315 T CA 1.013 63.050 62.100 -0.105 0.000 1.150 315 T CB -0.476 68.325 68.868 -0.112 0.000 0.864 315 T HN 0.253 nan 8.240 nan 0.000 0.427 316 L N 0.264 121.375 121.223 -0.187 0.000 2.083 316 L HA -0.070 4.269 4.340 -0.001 0.000 0.209 316 L C 2.915 179.694 176.870 -0.152 0.000 1.083 316 L CA 1.296 55.982 54.840 -0.257 0.000 0.752 316 L CB -0.501 41.396 42.059 -0.271 0.000 0.899 316 L HN 0.164 nan 8.230 nan 0.000 0.433 317 R N -0.123 120.321 120.500 -0.093 0.000 2.096 317 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 317 R C 2.373 178.642 176.300 -0.051 0.000 1.127 317 R CA 1.436 57.503 56.100 -0.055 0.000 0.968 317 R CB -0.330 29.948 30.300 -0.035 0.000 0.861 317 R HN 0.361 nan 8.270 nan 0.000 0.440 318 A N 0.360 123.144 122.820 -0.060 0.000 2.016 318 A HA -0.067 4.252 4.320 -0.001 0.000 0.217 318 A C 1.924 179.476 177.584 -0.054 0.000 1.162 318 A CA 0.631 52.639 52.037 -0.048 0.000 0.662 318 A CB -0.162 18.810 19.000 -0.046 0.000 0.812 318 A HN 0.223 nan 8.150 nan 0.000 0.450 319 L N -0.426 120.745 121.223 -0.086 0.000 2.095 319 L HA 0.075 4.414 4.340 -0.001 0.000 0.204 319 L C 2.176 179.020 176.870 -0.043 0.000 1.080 319 L CA 1.320 56.107 54.840 -0.087 0.000 0.759 319 L CB -0.528 41.423 42.059 -0.181 0.000 0.914 319 L HN 0.354 nan 8.230 nan 0.000 0.439 320 L N 0.098 121.295 121.223 -0.043 0.000 2.021 320 L HA -0.224 4.115 4.340 -0.001 0.000 0.215 320 L C -0.326 176.559 176.870 0.024 0.000 1.074 320 L CA 1.829 56.682 54.840 0.023 0.000 0.760 320 L CB -1.841 40.231 42.059 0.021 0.000 0.889 320 L HN 0.289 nan 8.230 nan 0.000 0.433 321 P HA -0.111 nan 4.420 nan 0.000 0.226 321 P C 1.580 178.883 177.300 0.005 0.000 1.153 321 P CA 1.174 64.277 63.100 0.005 0.000 0.777 321 P CB 0.079 31.779 31.700 -0.001 0.000 0.794 322 L N -2.058 119.168 121.223 0.005 0.000 2.446 322 L HA 0.067 4.406 4.340 -0.001 0.000 0.219 322 L C 0.635 177.510 176.870 0.009 0.000 1.116 322 L CA 0.149 54.991 54.840 0.004 0.000 0.844 322 L CB -0.104 41.955 42.059 0.000 0.000 0.970 322 L HN -0.243 nan 8.230 nan 0.000 0.457 323 V N 0.845 120.776 119.914 0.027 0.000 2.432 323 V HA 0.099 4.218 4.120 -0.001 0.000 0.275 323 V C 0.378 176.476 176.094 0.007 0.000 1.043 323 V CA -0.531 61.791 62.300 0.036 0.000 0.925 323 V CB 1.367 33.258 31.823 0.115 0.000 0.985 323 V HN 0.154 nan 8.190 nan 0.000 0.466 324 E N 3.397 123.583 120.200 -0.024 0.000 2.338 324 E HA 0.138 4.487 4.350 -0.001 0.000 0.272 324 E C 0.071 176.642 176.600 -0.048 0.000 1.029 324 E CA -0.323 56.053 56.400 -0.040 0.000 0.872 324 E CB 0.766 30.427 29.700 -0.066 0.000 1.015 324 E HN 0.677 nan 8.360 nan 0.000 0.417 325 E N 3.236 123.411 120.200 -0.042 0.000 2.376 325 E HA -0.011 4.338 4.350 -0.001 0.000 0.266 325 E C -0.675 175.889 176.600 -0.060 0.000 1.009 325 E CA 0.151 56.520 56.400 -0.050 0.000 0.902 325 E CB 0.573 30.252 29.700 -0.034 0.000 0.972 325 E HN 0.240 nan 8.360 nan 0.000 0.439 326 K N 2.272 122.628 120.400 -0.074 0.000 2.156 326 K HA 0.313 4.632 4.320 -0.001 0.000 0.271 326 K C 0.156 176.727 176.600 -0.048 0.000 0.995 326 K CA -0.291 55.955 56.287 -0.068 0.000 0.890 326 K CB 1.847 34.297 32.500 -0.083 0.000 1.073 326 K HN 0.463 nan 8.250 nan 0.000 0.454 327 A N 1.700 124.499 122.820 -0.034 0.000 2.030 327 A HA -0.074 4.245 4.320 -0.001 0.000 0.215 327 A C 0.604 178.182 177.584 -0.010 0.000 1.164 327 A CA 0.658 52.684 52.037 -0.019 0.000 0.697 327 A CB -0.123 18.869 19.000 -0.014 0.000 0.827 327 A HN 0.752 nan 8.150 nan 0.000 0.457 328 D N 0.727 121.119 120.400 -0.012 0.000 2.338 328 D HA 0.204 4.844 4.640 -0.001 0.000 0.255 328 D C 0.859 177.168 176.300 0.016 0.000 1.237 328 D CA -0.128 53.873 54.000 0.002 0.000 0.883 328 D CB 0.362 41.161 40.800 -0.001 0.000 1.087 328 D HN 0.470 nan 8.370 nan 0.000 0.485 329 R N 2.265 122.783 120.500 0.029 0.000 2.596 329 R HA 0.266 4.605 4.340 -0.001 0.000 0.369 329 R C 1.026 177.360 176.300 0.057 0.000 1.042 329 R CA -0.559 55.567 56.100 0.043 0.000 1.120 329 R CB 0.206 30.526 30.300 0.034 0.000 1.353 329 R HN 0.112 nan 8.270 nan 0.000 0.564 330 K N 0.622 121.063 120.400 0.069 0.000 2.032 330 K HA -0.131 4.189 4.320 -0.001 0.000 0.209 330 K C 1.328 177.996 176.600 0.114 0.000 1.048 330 K CA 1.844 58.177 56.287 0.077 0.000 0.927 330 K CB -0.244 32.303 32.500 0.077 0.000 0.712 330 K HN 0.084 nan 8.250 nan 0.000 0.441 331 F N 1.722 121.666 119.950 -0.010 0.000 2.102 331 F HA -0.191 4.335 4.527 -0.001 0.000 0.298 331 F C 1.959 177.758 175.800 -0.001 0.000 1.105 331 F CA 1.059 59.053 58.000 -0.010 0.000 1.239 331 F CB -0.471 38.515 39.000 -0.023 0.000 0.991 331 F HN -0.065 nan 8.300 nan 0.000 0.474 332 L N 0.693 121.897 121.223 -0.031 0.000 2.012 332 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 332 L C 1.960 178.771 176.870 -0.098 0.000 1.073 332 L CA 2.217 56.995 54.840 -0.104 0.000 0.748 332 L CB -1.262 40.811 42.059 0.024 0.000 0.891 332 L HN 0.046 nan 8.230 nan 0.000 0.431 333 D N -0.422 119.956 120.400 -0.037 0.000 2.144 333 D HA -0.206 4.433 4.640 -0.001 0.000 0.199 333 D C 2.149 178.423 176.300 -0.042 0.000 0.984 333 D CA 1.290 55.276 54.000 -0.023 0.000 0.834 333 D CB -0.030 40.772 40.800 0.003 0.000 0.955 333 D HN 0.259 nan 8.370 nan 0.000 0.465 334 K N 1.093 121.452 120.400 -0.068 0.000 2.057 334 K HA 0.006 4.325 4.320 -0.001 0.000 0.206 334 K C 1.825 178.362 176.600 -0.105 0.000 1.050 334 K CA 1.385 57.632 56.287 -0.068 0.000 0.935 334 K CB -0.487 31.984 32.500 -0.048 0.000 0.715 334 K HN -0.001 nan 8.250 nan 0.000 0.439 335 A N 0.764 123.445 122.820 -0.231 0.000 1.908 335 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 335 A C 2.213 179.770 177.584 -0.046 0.000 1.181 335 A CA 1.659 53.572 52.037 -0.207 0.000 0.627 335 A CB -0.734 18.034 19.000 -0.386 0.000 0.818 335 A HN 0.333 nan 8.150 nan 0.000 0.445 336 L N -1.082 120.119 121.223 -0.037 0.000 2.083 336 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 336 L C 2.641 179.572 176.870 0.101 0.000 1.083 336 L CA 1.697 56.566 54.840 0.047 0.000 0.752 336 L CB -0.433 41.632 42.059 0.010 0.000 0.899 336 L HN 0.568 nan 8.230 nan 0.000 0.433 337 E N 0.171 120.399 120.200 0.046 0.000 2.072 337 E HA -0.220 4.130 4.350 -0.001 0.000 0.191 337 E C 1.640 178.277 176.600 0.061 0.000 0.985 337 E CA 1.204 57.630 56.400 0.044 0.000 0.801 337 E CB 0.186 29.898 29.700 0.020 0.000 0.750 337 E HN 0.405 nan 8.360 nan 0.000 0.452 338 D N -0.145 120.299 120.400 0.073 0.000 2.123 338 D HA -0.207 4.432 4.640 -0.001 0.000 0.196 338 D C 1.637 178.026 176.300 0.147 0.000 0.992 338 D CA 0.992 55.059 54.000 0.111 0.000 0.833 338 D CB -0.479 40.399 40.800 0.130 0.000 0.954 338 D HN 0.285 nan 8.370 nan 0.000 0.455 339 Y N 1.578 121.904 120.300 0.043 0.000 2.181 339 Y HA -0.161 4.388 4.550 -0.001 0.000 0.288 339 Y C 2.313 178.241 175.900 0.048 0.000 1.146 339 Y CA 1.479 59.621 58.100 0.070 0.000 1.164 339 Y CB -0.068 38.421 38.460 0.049 0.000 0.982 339 Y HN -0.208 nan 8.280 nan 0.000 0.515 340 R N 0.525 121.001 120.500 -0.040 0.000 2.091 340 R HA -0.171 4.168 4.340 -0.001 0.000 0.238 340 R C 1.574 177.788 176.300 -0.143 0.000 1.136 340 R CA 1.985 58.005 56.100 -0.132 0.000 0.959 340 R CB -0.560 29.731 30.300 -0.016 0.000 0.856 340 R HN 0.449 nan 8.270 nan 0.000 0.437 341 D N 0.016 120.376 120.400 -0.066 0.000 2.097 341 D HA -0.108 4.532 4.640 -0.001 0.000 0.197 341 D C 1.734 177.985 176.300 -0.081 0.000 0.984 341 D CA 1.500 55.471 54.000 -0.048 0.000 0.826 341 D CB -0.281 40.523 40.800 0.006 0.000 0.973 341 D HN 0.280 nan 8.370 nan 0.000 0.460 342 A N 0.847 123.620 122.820 -0.079 0.000 1.902 342 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 342 A C 2.185 179.604 177.584 -0.276 0.000 1.181 342 A CA 1.281 53.262 52.037 -0.093 0.000 0.623 342 A CB -0.458 18.599 19.000 0.095 0.000 0.818 342 A HN 0.075 nan 8.150 nan 0.000 0.443 343 R N -0.312 119.941 120.500 -0.412 0.000 2.148 343 R HA -0.088 4.251 4.340 -0.001 0.000 0.223 343 R C 2.172 178.307 176.300 -0.276 0.000 1.088 343 R CA 1.536 57.356 56.100 -0.467 0.000 0.985 343 R CB -0.162 29.770 30.300 -0.613 0.000 0.880 343 R HN 0.602 nan 8.270 nan 0.000 0.451 344 K N -0.613 119.667 120.400 -0.200 0.000 2.103 344 K HA -0.051 4.268 4.320 -0.001 0.000 0.204 344 K C 1.861 178.402 176.600 -0.098 0.000 1.052 344 K CA 1.338 57.552 56.287 -0.122 0.000 0.945 344 K CB -0.186 32.260 32.500 -0.091 0.000 0.722 344 K HN 0.231 nan 8.250 nan 0.000 0.443 345 G N 1.492 110.229 108.800 -0.105 0.000 2.418 345 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.217 345 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.217 345 G C 1.340 176.196 174.900 -0.072 0.000 1.158 345 G CA 0.448 45.502 45.100 -0.076 0.000 0.771 345 G HN 0.150 nan 8.290 nan 0.000 0.545 346 L N 1.285 122.428 121.223 -0.135 0.000 2.042 346 L HA -0.049 4.290 4.340 -0.001 0.000 0.210 346 L C 2.312 179.232 176.870 0.083 0.000 1.076 346 L CA 1.633 56.412 54.840 -0.101 0.000 0.749 346 L CB -0.790 41.033 42.059 -0.393 0.000 0.893 346 L HN 0.143 nan 8.230 nan 0.000 0.432 347 D N -0.722 119.684 120.400 0.009 0.000 2.178 347 D HA -0.144 4.495 4.640 -0.001 0.000 0.202 347 D C 1.748 178.055 176.300 0.013 0.000 0.974 347 D CA 0.822 54.850 54.000 0.046 0.000 0.841 347 D CB -0.088 40.705 40.800 -0.011 0.000 0.953 347 D HN 0.304 nan 8.370 nan 0.000 0.478 348 D N -0.046 120.343 120.400 -0.018 0.000 2.219 348 D HA -0.042 4.597 4.640 -0.001 0.000 0.205 348 D C 2.068 178.329 176.300 -0.065 0.000 0.970 348 D CA 0.289 54.264 54.000 -0.040 0.000 0.851 348 D CB -0.009 40.763 40.800 -0.046 0.000 0.943 348 D HN 0.262 nan 8.370 nan 0.000 0.488 349 L N 0.051 121.239 121.223 -0.057 0.000 2.395 349 L HA 0.070 4.409 4.340 -0.001 0.000 0.218 349 L C 1.336 178.101 176.870 -0.175 0.000 1.130 349 L CA 0.244 55.000 54.840 -0.140 0.000 0.826 349 L CB -0.003 42.008 42.059 -0.079 0.000 0.941 349 L HN -0.110 nan 8.230 nan 0.000 0.451 350 A N 0.052 122.814 122.820 -0.097 0.000 3.282 350 A HA 0.284 4.603 4.320 -0.001 0.000 0.287 350 A C 0.065 177.676 177.584 0.045 0.000 1.366 350 A CA -0.261 51.717 52.037 -0.099 0.000 1.069 350 A CB -0.332 18.551 19.000 -0.194 0.000 1.109 350 A HN -0.079 nan 8.150 nan 0.000 0.638 351 K N 1.264 121.640 120.400 -0.040 0.000 2.267 351 K HA 0.541 4.860 4.320 -0.001 0.000 0.246 351 K C -3.033 173.244 176.600 -0.537 0.000 0.954 351 K CA -2.301 53.877 56.287 -0.182 0.000 0.824 351 K CB 1.800 34.232 32.500 -0.114 0.000 1.167 351 K HN 0.157 nan 8.250 nan 0.000 0.431 352 P HA 0.144 nan 4.420 nan 0.000 0.272 352 P C -0.500 176.537 177.300 -0.439 0.000 1.223 352 P CA -0.191 62.331 63.100 -0.963 0.000 0.784 352 P CB 1.049 32.306 31.700 -0.738 0.000 0.923 353 S N -0.236 115.240 115.700 -0.373 0.000 2.596 353 S HA 0.242 4.711 4.470 -0.001 0.000 0.270 353 S C 0.405 174.880 174.600 -0.207 0.000 1.155 353 S CA -0.486 57.565 58.200 -0.248 0.000 0.827 353 S CB 1.314 64.356 63.200 -0.264 0.000 1.130 353 S HN 0.353 nan 8.310 nan 0.000 0.467 354 E N 0.556 120.668 120.200 -0.148 0.000 2.400 354 E HA 0.139 4.488 4.350 -0.001 0.000 0.195 354 E C 1.093 177.624 176.600 -0.116 0.000 1.012 354 E CA 0.271 56.601 56.400 -0.117 0.000 0.875 354 E CB 0.181 29.831 29.700 -0.084 0.000 0.859 354 E HN 0.355 nan 8.360 nan 0.000 0.498 355 K N 0.426 120.746 120.400 -0.134 0.000 2.001 355 K HA 0.081 4.400 4.320 -0.001 0.000 0.208 355 K C 0.113 176.629 176.600 -0.140 0.000 1.048 355 K CA 1.094 57.309 56.287 -0.118 0.000 0.932 355 K CB 0.317 32.754 32.500 -0.104 0.000 0.715 355 K HN 0.101 nan 8.250 nan 0.000 0.437 356 A N -0.868 121.818 122.820 -0.223 0.000 2.549 356 A HA 0.425 4.744 4.320 -0.001 0.000 0.291 356 A C -1.499 175.886 177.584 -0.333 0.000 1.034 356 A CA -0.864 51.047 52.037 -0.210 0.000 0.655 356 A CB 0.453 19.363 19.000 -0.151 0.000 1.299 356 A HN 0.060 nan 8.150 nan 0.000 0.427 357 I N 3.013 123.449 120.570 -0.224 0.000 2.312 357 I HA 0.237 4.406 4.170 -0.001 0.000 0.291 357 I C -0.222 175.778 176.117 -0.195 0.000 1.031 357 I CA -0.550 60.626 61.300 -0.206 0.000 1.293 357 I CB 0.613 38.554 38.000 -0.099 0.000 1.403 357 I HN 0.506 nan 8.210 nan 0.000 0.484 358 H N 8.641 127.657 119.070 -0.090 0.000 2.975 358 H HA 0.072 4.628 4.556 -0.001 0.000 0.303 358 H C -1.463 173.734 175.328 -0.219 0.000 1.023 358 H CA -2.017 53.939 56.048 -0.153 0.000 1.473 358 H CB 0.542 30.197 29.762 -0.178 0.000 1.498 358 H HN 0.423 nan 8.280 nan 0.000 0.549 359 P HA -0.176 nan 4.420 nan 0.000 0.219 359 P C 1.225 178.149 177.300 -0.628 0.000 1.146 359 P CA 1.134 64.043 63.100 -0.318 0.000 0.808 359 P CB 0.423 31.965 31.700 -0.263 0.000 0.779 360 Q N -1.026 118.249 119.800 -0.875 0.000 2.172 360 Q HA -0.185 4.155 4.340 -0.001 0.000 0.200 360 Q C 2.190 177.756 176.000 -0.723 0.000 0.964 360 Q CA 1.094 56.272 55.803 -1.042 0.000 0.855 360 Q CB -1.604 26.465 28.738 -1.116 0.000 0.918 360 Q HN 0.234 nan 8.270 nan 0.000 0.444 361 Y N 2.261 122.279 120.300 -0.469 0.000 2.128 361 Y HA -0.236 4.314 4.550 -0.001 0.000 0.284 361 Y C 2.223 177.986 175.900 -0.229 0.000 1.154 361 Y CA 1.490 59.416 58.100 -0.290 0.000 1.149 361 Y CB -0.456 37.904 38.460 -0.168 0.000 0.976 361 Y HN 0.156 nan 8.280 nan 0.000 0.505 362 L N 0.777 121.822 121.223 -0.298 0.000 2.012 362 L HA -0.111 4.228 4.340 -0.001 0.000 0.210 362 L C 2.427 179.179 176.870 -0.198 0.000 1.073 362 L CA 2.342 56.976 54.840 -0.344 0.000 0.748 362 L CB -1.419 40.404 42.059 -0.394 0.000 0.891 362 L HN 0.254 nan 8.230 nan 0.000 0.431 363 A N -1.061 121.717 122.820 -0.070 0.000 1.902 363 A HA -0.281 4.039 4.320 -0.001 0.000 0.217 363 A C 2.339 179.926 177.584 0.004 0.000 1.181 363 A CA 1.741 53.843 52.037 0.108 0.000 0.623 363 A CB -0.775 18.348 19.000 0.206 0.000 0.818 363 A HN 0.693 nan 8.150 nan 0.000 0.443 364 Q N -1.050 118.653 119.800 -0.161 0.000 2.124 364 Q HA -0.236 4.103 4.340 -0.001 0.000 0.202 364 Q C 1.977 177.928 176.000 -0.082 0.000 0.977 364 Q CA 1.646 57.395 55.803 -0.089 0.000 0.850 364 Q CB -0.114 28.532 28.738 -0.154 0.000 0.901 364 Q HN 0.641 nan 8.270 nan 0.000 0.429 365 Q N 0.081 119.771 119.800 -0.184 0.000 2.187 365 Q HA -0.030 4.309 4.340 -0.001 0.000 0.199 365 Q C 2.149 178.249 176.000 0.166 0.000 0.957 365 Q CA 0.716 56.467 55.803 -0.087 0.000 0.857 365 Q CB -0.056 28.541 28.738 -0.234 0.000 0.929 365 Q HN 0.503 nan 8.270 nan 0.000 0.453 366 I N 0.444 121.109 120.570 0.158 0.000 2.163 366 I HA -0.289 3.881 4.170 -0.001 0.000 0.243 366 I C 2.516 178.837 176.117 0.341 0.000 1.085 366 I CA 1.266 62.770 61.300 0.341 0.000 1.347 366 I CB -0.318 37.878 38.000 0.326 0.000 1.044 366 I HN 0.133 nan 8.210 nan 0.000 0.408 367 S N -0.367 115.431 115.700 0.165 0.000 2.382 367 S HA -0.291 4.178 4.470 -0.001 0.000 0.228 367 S C 2.111 176.787 174.600 0.127 0.000 1.027 367 S CA 1.716 59.977 58.200 0.102 0.000 0.991 367 S CB -0.367 62.845 63.200 0.021 0.000 0.823 367 S HN 0.553 nan 8.310 nan 0.000 0.469 368 H N -0.469 118.574 119.070 -0.044 0.000 2.357 368 H HA 0.070 4.625 4.556 -0.001 0.000 0.301 368 H C 1.278 176.484 175.328 -0.203 0.000 1.082 368 H CA 2.104 58.022 56.048 -0.218 0.000 1.342 368 H CB -0.304 29.176 29.762 -0.471 0.000 1.389 368 H HN 0.493 nan 8.280 nan 0.000 0.511 369 F N 0.118 120.137 119.950 0.116 0.000 2.714 369 F HA 0.407 4.934 4.527 -0.001 0.000 0.294 369 F C 1.614 177.566 175.800 0.253 0.000 1.120 369 F CA 0.379 58.463 58.000 0.141 0.000 1.398 369 F CB -0.399 38.743 39.000 0.237 0.000 1.120 369 F HN 0.181 nan 8.300 nan 0.000 0.589 370 A N 0.826 123.869 122.820 0.373 0.000 2.406 370 A HA 0.570 4.890 4.320 -0.001 0.000 0.243 370 A C 0.693 178.245 177.584 -0.053 0.000 1.082 370 A CA -0.109 51.907 52.037 -0.034 0.000 0.786 370 A CB -0.238 18.820 19.000 0.097 0.000 1.029 370 A HN 0.246 nan 8.150 nan 0.000 0.495 371 A N 0.554 123.253 122.820 -0.202 0.000 2.492 371 A HA 0.323 4.643 4.320 -0.001 0.000 0.236 371 A C 0.840 178.382 177.584 -0.070 0.000 1.078 371 A CA 0.443 52.404 52.037 -0.127 0.000 0.773 371 A CB -0.094 18.802 19.000 -0.173 0.000 1.023 371 A HN 0.961 nan 8.150 nan 0.000 0.504 372 D N -0.292 120.079 120.400 -0.049 0.000 2.363 372 D HA -0.052 4.587 4.640 -0.001 0.000 0.226 372 D C 0.157 176.429 176.300 -0.046 0.000 1.020 372 D CA 0.976 54.959 54.000 -0.029 0.000 0.892 372 D CB 0.102 40.886 40.800 -0.028 0.000 0.900 372 D HN 0.527 nan 8.370 nan 0.000 0.531 373 D N -0.370 119.982 120.400 -0.079 0.000 2.623 373 D HA 0.288 4.927 4.640 -0.001 0.000 0.252 373 D C 0.203 176.411 176.300 -0.153 0.000 1.294 373 D CA -0.765 53.178 54.000 -0.094 0.000 0.824 373 D CB -0.461 40.288 40.800 -0.084 0.000 1.070 373 D HN 0.198 nan 8.370 nan 0.000 0.487 374 A N 0.546 123.228 122.820 -0.230 0.000 2.466 374 A HA 0.411 4.730 4.320 -0.001 0.000 0.238 374 A C 0.248 177.531 177.584 -0.501 0.000 1.074 374 A CA -0.106 51.647 52.037 -0.475 0.000 0.774 374 A CB 0.158 18.667 19.000 -0.818 0.000 1.015 374 A HN 0.399 nan 8.150 nan 0.000 0.498 375 I N 1.510 121.790 120.570 -0.484 0.000 2.321 375 I HA 0.322 4.491 4.170 -0.001 0.000 0.291 375 I C -1.012 174.856 176.117 -0.415 0.000 0.998 375 I CA 0.035 61.147 61.300 -0.313 0.000 1.227 375 I CB 0.850 38.754 38.000 -0.159 0.000 1.368 375 I HN 0.488 nan 8.210 nan 0.000 0.466 376 F N 3.749 123.697 119.950 -0.003 0.000 2.443 376 F HA 0.534 5.060 4.527 -0.001 0.000 0.335 376 F C 0.730 176.544 175.800 0.025 0.000 1.104 376 F CA -0.637 57.378 58.000 0.024 0.000 1.013 376 F CB 1.957 40.989 39.000 0.053 0.000 1.136 376 F HN 0.350 nan 8.300 nan 0.000 0.470 377 T N -0.549 114.120 114.554 0.191 0.000 2.908 377 T HA 0.744 5.093 4.350 -0.001 0.000 0.290 377 T C -0.837 173.922 174.700 0.098 0.000 1.034 377 T CA -0.889 61.264 62.100 0.089 0.000 1.010 377 T CB 1.405 70.272 68.868 -0.001 0.000 1.068 377 T HN 0.928 nan 8.240 nan 0.000 0.481 378 C N 1.107 120.423 119.300 0.027 0.000 2.686 378 C HA 0.705 5.164 4.460 -0.001 0.000 0.318 378 C C -0.517 174.433 174.990 -0.066 0.000 1.160 378 C CA -1.017 58.011 59.018 0.015 0.000 1.396 378 C CB 0.690 28.475 27.740 0.074 0.000 1.924 378 C HN 0.903 nan 8.230 nan 0.000 0.471 379 D N 1.757 122.108 120.400 -0.081 0.000 2.399 379 D HA 0.261 4.901 4.640 -0.001 0.000 0.241 379 D C 0.339 176.582 176.300 -0.096 0.000 1.133 379 D CA 0.225 54.159 54.000 -0.109 0.000 0.890 379 D CB 1.669 42.416 40.800 -0.088 0.000 1.201 379 D HN 0.566 nan 8.370 nan 0.000 0.432 380 V N 2.119 121.976 119.914 -0.095 0.000 2.599 380 V HA 0.449 4.569 4.120 -0.001 0.000 0.300 380 V C 1.212 177.258 176.094 -0.080 0.000 1.034 380 V CA 1.267 63.530 62.300 -0.062 0.000 1.115 380 V CB 0.247 32.037 31.823 -0.055 0.000 0.934 380 V HN 0.870 nan 8.190 nan 0.000 0.485 381 G N 4.001 112.742 108.800 -0.098 0.000 2.298 381 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.309 381 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.309 381 G C 0.615 175.378 174.900 -0.228 0.000 1.279 381 G CA 0.326 45.350 45.100 -0.127 0.000 1.042 381 G HN 1.070 nan 8.290 nan 0.000 0.480 382 T N -1.417 112.983 114.554 -0.258 0.000 2.803 382 T HA -0.018 4.331 4.350 -0.001 0.000 0.269 382 T C 0.090 174.336 174.700 -0.757 0.000 1.052 382 T CA 2.397 64.176 62.100 -0.535 0.000 1.136 382 T CB -1.002 67.722 68.868 -0.241 0.000 0.864 382 T HN 0.327 nan 8.240 nan 0.000 0.467 383 P HA -0.006 nan 4.420 nan 0.000 0.220 383 P C 1.602 178.727 177.300 -0.292 0.000 1.148 383 P CA 1.103 63.904 63.100 -0.497 0.000 0.803 383 P CB -0.375 31.077 31.700 -0.414 0.000 0.782 384 T N -0.899 113.526 114.554 -0.215 0.000 2.777 384 T HA -0.089 4.260 4.350 -0.001 0.000 0.266 384 T C 1.792 176.393 174.700 -0.165 0.000 1.040 384 T CA 1.194 63.257 62.100 -0.063 0.000 1.141 384 T CB -0.926 67.965 68.868 0.039 0.000 0.868 384 T HN -0.101 nan 8.240 nan 0.000 0.444 385 V N 0.138 119.818 119.914 -0.390 0.000 2.295 385 V HA -0.198 3.921 4.120 -0.001 0.000 0.246 385 V C 2.106 178.086 176.094 -0.191 0.000 1.049 385 V CA 1.558 63.586 62.300 -0.452 0.000 1.024 385 V CB -0.887 30.394 31.823 -0.903 0.000 0.648 385 V HN 0.655 nan 8.190 nan 0.000 0.447 386 W N -0.003 121.313 121.300 0.025 0.000 2.388 386 W HA 0.042 4.702 4.660 -0.001 0.000 0.294 386 W C 2.652 179.256 176.519 0.140 0.000 1.212 386 W CA 0.462 57.900 57.345 0.155 0.000 1.271 386 W CB -0.480 29.016 29.460 0.060 0.000 1.126 386 W HN 0.178 nan 8.180 nan 0.000 0.535 387 A N 1.209 124.146 122.820 0.196 0.000 1.877 387 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 387 A C 2.105 179.733 177.584 0.072 0.000 1.186 387 A CA 2.469 54.568 52.037 0.103 0.000 0.620 387 A CB -1.335 17.709 19.000 0.073 0.000 0.822 387 A HN 0.215 nan 8.150 nan 0.000 0.443 388 A N -0.422 122.423 122.820 0.042 0.000 1.908 388 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 388 A C 2.263 179.888 177.584 0.069 0.000 1.181 388 A CA 1.781 53.834 52.037 0.027 0.000 0.627 388 A CB -0.401 18.585 19.000 -0.024 0.000 0.818 388 A HN 0.569 nan 8.150 nan 0.000 0.445 389 R N -3.201 117.316 120.500 0.028 0.000 2.223 389 R HA 0.116 4.455 4.340 -0.001 0.000 0.198 389 R C 0.858 176.831 176.300 -0.545 0.000 0.984 389 R CA 0.945 56.892 56.100 -0.254 0.000 1.018 389 R CB 0.030 30.096 30.300 -0.389 0.000 0.945 389 R HN 0.673 nan 8.270 nan 0.000 0.479 390 Y N -0.595 119.746 120.300 0.069 0.000 2.432 390 Y HA 0.275 4.824 4.550 -0.001 0.000 0.252 390 Y C 0.356 176.242 175.900 -0.023 0.000 1.097 390 Y CA -0.449 57.665 58.100 0.024 0.000 1.250 390 Y CB 0.772 39.259 38.460 0.046 0.000 1.245 390 Y HN -0.181 nan 8.280 nan 0.000 0.522 391 L N 2.454 123.703 121.223 0.043 0.000 2.361 391 L HA 0.145 4.484 4.340 -0.001 0.000 0.278 391 L C 0.281 177.114 176.870 -0.062 0.000 1.113 391 L CA -0.061 54.706 54.840 -0.122 0.000 0.849 391 L CB 0.742 42.619 42.059 -0.304 0.000 1.155 391 L HN 0.025 nan 8.230 nan 0.000 0.452 392 K N 4.667 125.044 120.400 -0.039 0.000 2.276 392 K HA 0.321 4.640 4.320 -0.001 0.000 0.285 392 K C -0.378 176.228 176.600 0.011 0.000 1.062 392 K CA -0.667 55.629 56.287 0.014 0.000 0.918 392 K CB 0.656 33.180 32.500 0.041 0.000 1.055 392 K HN 0.403 nan 8.250 nan 0.000 0.477 393 M N 2.894 122.511 119.600 0.029 0.000 2.368 393 M HA 0.182 4.661 4.480 -0.001 0.000 0.311 393 M C 0.486 176.769 176.300 -0.029 0.000 1.168 393 M CA -0.443 54.860 55.300 0.005 0.000 1.044 393 M CB 0.917 33.531 32.600 0.023 0.000 1.506 393 M HN 0.787 nan 8.290 nan 0.000 0.475 394 N N -1.363 117.185 118.700 -0.253 0.000 2.036 394 N HA 0.192 4.932 4.740 -0.001 0.000 0.224 394 N C 0.636 175.577 175.510 -0.949 0.000 1.381 394 N CA 0.489 53.303 53.050 -0.395 0.000 0.746 394 N CB 0.115 38.507 38.487 -0.159 0.000 1.213 394 N HN 0.926 nan 8.380 nan 0.000 0.524 395 G N 0.503 108.489 108.800 -1.357 0.000 2.195 395 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.246 395 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.246 395 G C 0.782 175.427 174.900 -0.424 0.000 0.984 395 G CA 0.787 45.194 45.100 -1.155 0.000 0.633 395 G HN 0.474 nan 8.290 nan 0.000 0.525 396 K N -0.501 119.713 120.400 -0.309 0.000 2.380 396 K HA 0.277 4.597 4.320 -0.001 0.000 0.200 396 K C 1.417 177.951 176.600 -0.109 0.000 1.201 396 K CA -0.357 55.835 56.287 -0.159 0.000 0.916 396 K CB 0.402 32.828 32.500 -0.123 0.000 1.187 396 K HN 0.259 nan 8.250 nan 0.000 0.498 397 R N 1.493 121.940 120.500 -0.089 0.000 2.756 397 R HA 0.123 4.462 4.340 -0.001 0.000 0.264 397 R C -0.108 176.197 176.300 0.008 0.000 1.026 397 R CA 0.377 56.479 56.100 0.004 0.000 1.121 397 R CB 0.380 30.766 30.300 0.144 0.000 0.999 397 R HN -0.036 nan 8.270 nan 0.000 0.449 398 R N 1.221 121.761 120.500 0.068 0.000 2.795 398 R HA 0.457 4.796 4.340 -0.001 0.000 0.275 398 R C -1.338 175.069 176.300 0.178 0.000 0.981 398 R CA -1.232 54.905 56.100 0.063 0.000 0.917 398 R CB 1.601 31.913 30.300 0.019 0.000 1.202 398 R HN 0.299 nan 8.270 nan 0.000 0.469 399 L N 2.895 124.205 121.223 0.145 0.000 2.404 399 L HA 0.517 4.856 4.340 -0.001 0.000 0.272 399 L C -1.460 175.538 176.870 0.212 0.000 0.980 399 L CA -0.293 54.680 54.840 0.222 0.000 0.836 399 L CB 1.317 43.501 42.059 0.207 0.000 1.238 399 L HN 0.462 nan 8.230 nan 0.000 0.408 400 L N 4.568 125.879 121.223 0.146 0.000 2.342 400 L HA 1.017 5.356 4.340 -0.001 0.000 0.271 400 L C 0.363 177.107 176.870 -0.209 0.000 1.008 400 L CA -0.555 54.293 54.840 0.012 0.000 0.818 400 L CB 1.770 43.813 42.059 -0.026 0.000 1.296 400 L HN 0.761 nan 8.230 nan 0.000 0.427 401 G N -0.159 108.229 108.800 -0.687 0.000 2.706 401 G HA2 0.307 4.266 3.960 -0.001 0.000 0.307 401 G HA3 0.307 4.266 3.960 -0.001 0.000 0.307 401 G C -1.419 172.968 174.900 -0.856 0.000 1.307 401 G CA -0.271 44.182 45.100 -1.078 0.000 0.790 401 G HN 0.351 nan 8.290 nan 0.000 0.503 402 S N 0.074 115.386 115.700 -0.647 0.000 2.514 402 S HA 0.414 4.884 4.470 -0.001 0.000 0.179 402 S C 0.387 174.918 174.600 -0.114 0.000 1.409 402 S CA -0.664 57.401 58.200 -0.224 0.000 1.138 402 S CB -0.683 62.514 63.200 -0.005 0.000 1.217 402 S HN 0.370 nan 8.310 nan 0.000 0.493 403 F N 1.327 121.312 119.950 0.058 0.000 2.367 403 F HA 0.182 4.709 4.527 -0.001 0.000 0.298 403 F C 2.116 177.938 175.800 0.036 0.000 1.094 403 F CA 0.292 58.317 58.000 0.041 0.000 1.409 403 F CB -0.292 38.736 39.000 0.046 0.000 1.064 403 F HN 0.413 nan 8.300 nan 0.000 0.528 404 N N -1.327 117.492 118.700 0.199 0.000 2.428 404 N HA -0.092 4.648 4.740 -0.001 0.000 0.181 404 N C 1.767 177.368 175.510 0.152 0.000 1.028 404 N CA 0.894 54.022 53.050 0.131 0.000 0.877 404 N CB -0.551 37.983 38.487 0.079 0.000 1.064 404 N HN 0.226 nan 8.380 nan 0.000 0.434 405 H N 0.071 119.181 119.070 0.067 0.000 2.470 405 H HA 0.176 4.731 4.556 -0.001 0.000 0.289 405 H C 0.617 175.977 175.328 0.053 0.000 1.033 405 H CA 1.231 57.324 56.048 0.075 0.000 1.331 405 H CB -0.316 29.510 29.762 0.107 0.000 1.414 405 H HN 0.295 nan 8.280 nan 0.000 0.545 406 G N 0.590 109.390 108.800 -0.001 0.000 2.225 406 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.264 406 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.264 406 G C 0.059 174.883 174.900 -0.126 0.000 1.060 406 G CA 0.661 45.729 45.100 -0.054 0.000 0.833 406 G HN 0.667 nan 8.290 nan 0.000 0.498 407 S N -0.317 115.340 115.700 -0.071 0.000 2.499 407 S HA 0.677 5.146 4.470 -0.001 0.000 0.279 407 S C 1.216 175.797 174.600 -0.033 0.000 1.219 407 S CA -0.537 57.647 58.200 -0.028 0.000 1.062 407 S CB 0.354 63.686 63.200 0.219 0.000 0.978 407 S HN 0.391 nan 8.310 nan 0.000 0.489 408 M N 3.798 123.366 119.600 -0.053 0.000 2.243 408 M HA 0.154 4.634 4.480 -0.001 0.000 0.309 408 M C 1.292 177.520 176.300 -0.119 0.000 1.050 408 M CA 1.243 56.498 55.300 -0.075 0.000 1.139 408 M CB 0.014 32.581 32.600 -0.056 0.000 1.457 408 M HN 1.107 nan 8.290 nan 0.000 0.440 409 A N 0.797 123.520 122.820 -0.162 0.000 3.080 409 A HA -0.179 4.141 4.320 -0.001 0.000 0.254 409 A C 1.072 178.397 177.584 -0.432 0.000 1.277 409 A CA 1.129 53.034 52.037 -0.220 0.000 1.065 409 A CB -2.547 16.351 19.000 -0.170 0.000 1.160 409 A HN 1.024 nan 8.150 nan 0.000 0.886 410 N N 0.135 118.515 118.700 -0.533 0.000 2.354 410 N HA 0.128 4.867 4.740 -0.001 0.000 0.179 410 N C 1.690 176.873 175.510 -0.545 0.000 1.021 410 N CA 1.438 53.939 53.050 -0.915 0.000 0.887 410 N CB -0.633 37.462 38.487 -0.654 0.000 0.974 410 N HN 1.115 nan 8.380 nan 0.000 0.437 411 A N 2.268 124.909 122.820 -0.298 0.000 1.858 411 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 411 A C 2.398 179.916 177.584 -0.110 0.000 1.190 411 A CA 1.688 53.629 52.037 -0.161 0.000 0.617 411 A CB -0.710 18.249 19.000 -0.070 0.000 0.827 411 A HN 0.418 nan 8.150 nan 0.000 0.443 412 M N -0.212 119.347 119.600 -0.069 0.000 2.132 412 M HA -0.040 4.439 4.480 -0.001 0.000 0.263 412 M C -1.048 175.220 176.300 -0.053 0.000 1.065 412 M CA 1.910 57.216 55.300 0.009 0.000 1.122 412 M CB -0.869 31.803 32.600 0.119 0.000 1.365 412 M HN 0.138 nan 8.290 nan 0.000 0.411 413 P HA -0.146 nan 4.420 nan 0.000 0.215 413 P C 1.083 178.288 177.300 -0.159 0.000 1.153 413 P CA 1.502 64.514 63.100 -0.147 0.000 0.853 413 P CB -0.152 31.421 31.700 -0.213 0.000 0.788 414 Q N -0.871 118.815 119.800 -0.190 0.000 2.124 414 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 414 Q C 2.212 178.149 176.000 -0.105 0.000 0.977 414 Q CA 1.506 57.223 55.803 -0.142 0.000 0.850 414 Q CB -0.669 27.988 28.738 -0.136 0.000 0.901 414 Q HN 0.170 nan 8.270 nan 0.000 0.429 415 A N 0.683 123.461 122.820 -0.069 0.000 1.933 415 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 415 A C 1.992 179.570 177.584 -0.010 0.000 1.175 415 A CA 1.030 53.052 52.037 -0.025 0.000 0.628 415 A CB -0.548 18.460 19.000 0.013 0.000 0.814 415 A HN 0.281 nan 8.150 nan 0.000 0.444 416 L N -0.026 121.189 121.223 -0.013 0.000 2.012 416 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 416 L C 2.597 179.488 176.870 0.035 0.000 1.073 416 L CA 2.194 57.054 54.840 0.034 0.000 0.748 416 L CB -1.191 40.883 42.059 0.025 0.000 0.891 416 L HN 0.373 nan 8.230 nan 0.000 0.431 417 G N -1.837 106.854 108.800 -0.183 0.000 2.402 417 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.216 417 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.216 417 G C 1.635 176.535 174.900 0.000 0.000 1.162 417 G CA 0.795 45.750 45.100 -0.241 0.000 0.777 417 G HN 0.576 nan 8.290 nan 0.000 0.539 418 A N 0.376 123.179 122.820 -0.028 0.000 1.858 418 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 418 A C 2.325 179.923 177.584 0.024 0.000 1.190 418 A CA 2.316 54.350 52.037 -0.005 0.000 0.617 418 A CB -0.564 18.418 19.000 -0.029 0.000 0.827 418 A HN 0.397 nan 8.150 nan 0.000 0.443 419 Q N -0.277 119.542 119.800 0.032 0.000 2.124 419 Q HA -0.045 4.295 4.340 -0.001 0.000 0.202 419 Q C 2.009 178.049 176.000 0.068 0.000 0.977 419 Q CA 2.141 57.966 55.803 0.036 0.000 0.850 419 Q CB -0.578 28.183 28.738 0.038 0.000 0.901 419 Q HN 0.579 nan 8.270 nan 0.000 0.429 420 A N -1.109 121.795 122.820 0.141 0.000 1.969 420 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 420 A C 2.188 179.840 177.584 0.112 0.000 1.169 420 A CA 1.751 53.877 52.037 0.148 0.000 0.635 420 A CB -0.678 18.490 19.000 0.280 0.000 0.810 420 A HN 0.467 nan 8.150 nan 0.000 0.445 421 T N 0.054 114.683 114.554 0.125 0.000 2.896 421 T HA -0.002 4.348 4.350 -0.001 0.000 0.263 421 T C 0.475 175.199 174.700 0.039 0.000 1.050 421 T CA 0.982 63.133 62.100 0.086 0.000 1.140 421 T CB -0.015 68.903 68.868 0.083 0.000 0.877 421 T HN 0.407 nan 8.240 nan 0.000 0.457 422 E N 1.338 121.553 120.200 0.025 0.000 2.916 422 E HA 0.181 4.530 4.350 -0.001 0.000 0.217 422 E C -2.023 174.574 176.600 -0.005 0.000 1.100 422 E CA -1.817 54.584 56.400 0.001 0.000 0.891 422 E CB 1.374 31.065 29.700 -0.016 0.000 1.311 422 E HN 0.279 nan 8.360 nan 0.000 0.421 423 P HA -0.130 nan 4.420 nan 0.000 0.221 423 P C 0.743 178.035 177.300 -0.014 0.000 1.145 423 P CA 1.046 64.144 63.100 -0.003 0.000 0.795 423 P CB 0.570 32.269 31.700 -0.002 0.000 0.775 424 E N -0.782 119.406 120.200 -0.020 0.000 2.474 424 E HA 0.034 4.383 4.350 -0.001 0.000 0.194 424 E C 0.894 177.469 176.600 -0.042 0.000 1.041 424 E CA 0.082 56.466 56.400 -0.026 0.000 0.874 424 E CB 0.038 29.724 29.700 -0.023 0.000 0.914 424 E HN 0.214 nan 8.360 nan 0.000 0.498 425 R N 1.224 121.694 120.500 -0.051 0.000 2.486 425 R HA 0.133 4.473 4.340 -0.001 0.000 0.286 425 R C -0.085 176.151 176.300 -0.106 0.000 0.999 425 R CA -0.354 55.699 56.100 -0.079 0.000 0.993 425 R CB 0.899 31.154 30.300 -0.076 0.000 1.084 425 R HN -0.117 nan 8.270 nan 0.000 0.487 426 Q N 2.519 122.224 119.800 -0.157 0.000 2.304 426 Q HA 0.298 4.637 4.340 -0.001 0.000 0.260 426 Q C -1.247 174.596 176.000 -0.261 0.000 0.965 426 Q CA -0.343 55.332 55.803 -0.214 0.000 0.898 426 Q CB 0.943 29.500 28.738 -0.302 0.000 1.196 426 Q HN 0.388 nan 8.270 nan 0.000 0.402 427 V N 4.849 124.640 119.914 -0.206 0.000 2.487 427 V HA 0.384 4.504 4.120 -0.001 0.000 0.298 427 V C -0.671 175.331 176.094 -0.155 0.000 1.028 427 V CA -0.766 61.419 62.300 -0.193 0.000 0.860 427 V CB 1.895 33.663 31.823 -0.091 0.000 0.991 427 V HN 0.592 nan 8.190 nan 0.000 0.427 428 V N 4.043 123.844 119.914 -0.189 0.000 2.407 428 V HA 0.696 4.815 4.120 -0.001 0.000 0.291 428 V C 0.383 176.547 176.094 0.118 0.000 1.018 428 V CA -0.599 61.696 62.300 -0.007 0.000 0.842 428 V CB 1.683 33.517 31.823 0.019 0.000 0.996 428 V HN 0.961 nan 8.190 nan 0.000 0.426 429 A N 6.680 129.580 122.820 0.132 0.000 2.279 429 A HA 0.737 5.056 4.320 -0.001 0.000 0.306 429 A C -0.037 177.654 177.584 0.179 0.000 1.300 429 A CA -0.413 51.703 52.037 0.131 0.000 0.925 429 A CB 0.148 19.206 19.000 0.098 0.000 1.152 429 A HN 0.849 nan 8.150 nan 0.000 0.544 430 M N 3.124 122.844 119.600 0.201 0.000 2.261 430 M HA 0.206 4.685 4.480 -0.001 0.000 0.349 430 M C -0.897 175.476 176.300 0.122 0.000 1.305 430 M CA 0.046 55.496 55.300 0.250 0.000 1.240 430 M CB 0.086 32.816 32.600 0.216 0.000 1.394 430 M HN 0.625 nan 8.290 nan 0.000 0.438 431 C N 1.926 121.322 119.300 0.159 0.000 2.366 431 C HA 0.817 5.276 4.460 -0.001 0.000 0.345 431 C C 1.144 176.181 174.990 0.078 0.000 1.209 431 C CA -0.895 58.162 59.018 0.065 0.000 2.050 431 C CB 1.173 28.930 27.740 0.029 0.000 2.359 431 C HN 0.956 nan 8.230 nan 0.000 0.527 432 G N 1.236 110.046 108.800 0.018 0.000 2.504 432 G HA2 0.336 4.295 3.960 -0.001 0.000 0.288 432 G HA3 0.336 4.295 3.960 -0.001 0.000 0.288 432 G C 0.654 175.546 174.900 -0.014 0.000 1.182 432 G CA -0.083 45.036 45.100 0.033 0.000 0.894 432 G HN 0.839 nan 8.290 nan 0.000 0.521 433 D N 0.194 120.596 120.400 0.003 0.000 2.149 433 D HA -0.081 4.558 4.640 -0.001 0.000 0.201 433 D C 2.152 178.499 176.300 0.078 0.000 0.972 433 D CA 1.188 55.164 54.000 -0.039 0.000 0.835 433 D CB -0.797 40.117 40.800 0.191 0.000 0.966 433 D HN 0.472 nan 8.370 nan 0.000 0.476 434 G N 0.855 109.702 108.800 0.078 0.000 2.421 434 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.216 434 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.216 434 G C 1.760 176.675 174.900 0.024 0.000 1.171 434 G CA 1.084 46.222 45.100 0.064 0.000 0.775 434 G HN 0.467 nan 8.290 nan 0.000 0.543 435 G N 0.397 109.197 108.800 -0.000 0.000 2.421 435 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 435 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 435 G C 1.655 176.533 174.900 -0.036 0.000 1.171 435 G CA 0.972 46.050 45.100 -0.037 0.000 0.775 435 G HN 0.337 nan 8.290 nan 0.000 0.543 436 F N 2.801 122.644 119.950 -0.178 0.000 2.095 436 F HA -0.156 4.371 4.527 -0.001 0.000 0.298 436 F C 3.003 178.721 175.800 -0.137 0.000 1.104 436 F CA 2.082 59.950 58.000 -0.220 0.000 1.232 436 F CB -0.261 38.482 39.000 -0.429 0.000 0.987 436 F HN 0.260 nan 8.300 nan 0.000 0.475 437 S N -0.167 115.513 115.700 -0.033 0.000 2.461 437 S HA -0.206 4.263 4.470 -0.001 0.000 0.228 437 S C 2.126 176.679 174.600 -0.078 0.000 1.005 437 S CA 0.846 59.035 58.200 -0.018 0.000 0.942 437 S CB -0.852 62.487 63.200 0.232 0.000 0.776 437 S HN 0.624 nan 8.310 nan 0.000 0.514 438 M N 0.626 120.180 119.600 -0.076 0.000 2.159 438 M HA 0.151 4.630 4.480 -0.001 0.000 0.263 438 M C 0.575 176.798 176.300 -0.129 0.000 1.063 438 M CA 1.531 56.783 55.300 -0.079 0.000 1.110 438 M CB -0.054 32.505 32.600 -0.068 0.000 1.374 438 M HN 0.317 nan 8.290 nan 0.000 0.411 439 L N -0.216 120.894 121.223 -0.187 0.000 3.209 439 L HA 0.208 4.548 4.340 -0.001 0.000 0.279 439 L C 1.209 177.936 176.870 -0.238 0.000 1.301 439 L CA -0.349 54.374 54.840 -0.196 0.000 1.004 439 L CB 0.211 42.154 42.059 -0.193 0.000 1.402 439 L HN 0.354 nan 8.230 nan 0.000 0.577 440 M N -0.066 119.362 119.600 -0.288 0.000 2.267 440 M HA -0.114 4.365 4.480 -0.001 0.000 0.263 440 M C 2.013 178.219 176.300 -0.156 0.000 1.063 440 M CA 1.982 57.029 55.300 -0.422 0.000 1.090 440 M CB -0.000 32.411 32.600 -0.315 0.000 1.392 440 M HN 0.497 nan 8.290 nan 0.000 0.422 441 G N -0.292 108.479 108.800 -0.048 0.000 2.450 441 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.220 441 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.220 441 G C 1.095 176.036 174.900 0.067 0.000 1.130 441 G CA 1.009 46.133 45.100 0.040 0.000 0.760 441 G HN 0.481 nan 8.290 nan 0.000 0.557 442 D N -0.457 119.969 120.400 0.042 0.000 2.363 442 D HA -0.012 4.628 4.640 -0.001 0.000 0.226 442 D C 1.647 178.017 176.300 0.117 0.000 1.020 442 D CA -0.171 53.872 54.000 0.072 0.000 0.892 442 D CB 0.013 40.849 40.800 0.060 0.000 0.900 442 D HN 0.254 nan 8.370 nan 0.000 0.531 443 F N 1.644 121.564 119.950 -0.050 0.000 2.161 443 F HA -0.166 4.360 4.527 -0.001 0.000 0.300 443 F C 1.979 177.822 175.800 0.073 0.000 1.089 443 F CA 1.011 59.036 58.000 0.041 0.000 1.282 443 F CB -0.360 38.683 39.000 0.071 0.000 1.010 443 F HN -0.082 nan 8.300 nan 0.000 0.485 444 L N -0.943 120.290 121.223 0.018 0.000 2.265 444 L HA -0.210 4.129 4.340 -0.001 0.000 0.215 444 L C 2.396 179.230 176.870 -0.059 0.000 1.117 444 L CA 1.138 55.942 54.840 -0.060 0.000 0.782 444 L CB -0.851 41.223 42.059 0.025 0.000 0.914 444 L HN 0.054 nan 8.230 nan 0.000 0.441 445 S N -0.621 115.075 115.700 -0.007 0.000 2.406 445 S HA -0.105 4.364 4.470 -0.001 0.000 0.228 445 S C 2.066 176.661 174.600 -0.009 0.000 1.020 445 S CA 0.757 58.969 58.200 0.020 0.000 0.965 445 S CB -0.027 63.220 63.200 0.078 0.000 0.798 445 S HN 0.167 nan 8.310 nan 0.000 0.488 446 V N 1.483 121.362 119.914 -0.058 0.000 2.332 446 V HA -0.159 3.960 4.120 -0.001 0.000 0.248 446 V C 2.256 178.286 176.094 -0.107 0.000 1.055 446 V CA 1.523 63.778 62.300 -0.076 0.000 1.038 446 V CB -0.709 31.037 31.823 -0.128 0.000 0.651 446 V HN 0.342 nan 8.190 nan 0.000 0.450 447 V N -0.563 119.247 119.914 -0.172 0.000 2.255 447 V HA -0.307 3.812 4.120 -0.001 0.000 0.243 447 V C 2.382 178.441 176.094 -0.059 0.000 1.038 447 V CA 2.317 64.545 62.300 -0.121 0.000 1.008 447 V CB -0.696 31.044 31.823 -0.139 0.000 0.645 447 V HN 0.572 nan 8.190 nan 0.000 0.449 448 Q N -0.636 119.138 119.800 -0.044 0.000 2.135 448 Q HA -0.220 4.119 4.340 -0.001 0.000 0.204 448 Q C 2.060 178.054 176.000 -0.011 0.000 0.981 448 Q CA 1.979 57.773 55.803 -0.015 0.000 0.856 448 Q CB -0.089 28.651 28.738 0.003 0.000 0.902 448 Q HN 0.585 nan 8.270 nan 0.000 0.425 449 M N -0.157 119.438 119.600 -0.009 0.000 2.502 449 M HA 0.065 4.544 4.480 -0.001 0.000 0.243 449 M C -0.386 175.909 176.300 -0.009 0.000 1.130 449 M CA 0.352 55.647 55.300 -0.008 0.000 1.055 449 M CB 0.651 33.257 32.600 0.009 0.000 1.457 449 M HN -0.027 nan 8.290 nan 0.000 0.488 450 K N 1.327 121.719 120.400 -0.014 0.000 3.150 450 K HA -0.161 4.159 4.320 -0.001 0.000 0.267 450 K C -1.086 175.513 176.600 -0.002 0.000 1.028 450 K CA 0.510 56.789 56.287 -0.012 0.000 0.753 450 K CB -2.518 29.976 32.500 -0.011 0.000 1.288 450 K HN 0.411 nan 8.250 nan 0.000 0.473 451 L N 1.748 122.975 121.223 0.007 0.000 2.265 451 L HA 0.247 4.587 4.340 -0.001 0.000 0.289 451 L C -1.336 175.547 176.870 0.021 0.000 1.033 451 L CA -2.008 52.846 54.840 0.022 0.000 0.814 451 L CB 0.882 42.971 42.059 0.049 0.000 1.203 451 L HN -0.089 nan 8.230 nan 0.000 0.423 452 P HA -0.016 nan 4.420 nan 0.000 0.249 452 P C 0.110 177.432 177.300 0.036 0.000 1.686 452 P CA 0.136 63.251 63.100 0.024 0.000 0.873 452 P CB 0.058 31.767 31.700 0.015 0.000 1.828 453 V N 0.874 120.818 119.914 0.050 0.000 2.715 453 V HA 0.143 4.263 4.120 -0.001 0.000 0.299 453 V C 0.149 176.303 176.094 0.100 0.000 1.054 453 V CA -0.083 62.254 62.300 0.062 0.000 1.077 453 V CB 0.306 32.173 31.823 0.074 0.000 0.972 453 V HN 0.027 nan 8.190 nan 0.000 0.484 454 K N 7.471 127.934 120.400 0.105 0.000 2.292 454 K HA 0.496 4.815 4.320 -0.001 0.000 0.270 454 K C -0.668 176.031 176.600 0.166 0.000 1.062 454 K CA -0.077 56.314 56.287 0.173 0.000 0.916 454 K CB 1.140 33.814 32.500 0.291 0.000 1.166 454 K HN 0.702 nan 8.250 nan 0.000 0.458 455 I N 2.803 123.455 120.570 0.138 0.000 2.315 455 I HA 0.153 4.322 4.170 -0.001 0.000 0.291 455 I C -0.223 175.905 176.117 0.019 0.000 1.006 455 I CA -0.941 60.408 61.300 0.082 0.000 1.265 455 I CB 1.347 39.376 38.000 0.050 0.000 1.387 455 I HN 0.064 nan 8.210 nan 0.000 0.475 456 V N 7.665 127.613 119.914 0.056 0.000 2.350 456 V HA 0.279 4.398 4.120 -0.001 0.000 0.285 456 V C 0.022 176.121 176.094 0.008 0.000 1.014 456 V CA -0.710 61.596 62.300 0.009 0.000 0.831 456 V CB 1.651 33.524 31.823 0.083 0.000 1.000 456 V HN 0.361 nan 8.190 nan 0.000 0.433 457 V N 5.625 125.452 119.914 -0.146 0.000 2.406 457 V HA 0.350 4.470 4.120 -0.001 0.000 0.272 457 V C -0.123 175.946 176.094 -0.042 0.000 1.043 457 V CA -0.320 61.892 62.300 -0.146 0.000 0.915 457 V CB 0.979 32.540 31.823 -0.438 0.000 0.988 457 V HN 0.674 nan 8.190 nan 0.000 0.466 458 F N 4.100 124.022 119.950 -0.046 0.000 2.566 458 F HA 0.239 4.766 4.527 -0.001 0.000 0.349 458 F C 1.055 176.874 175.800 0.032 0.000 1.245 458 F CA -0.357 57.660 58.000 0.029 0.000 1.169 458 F CB -0.215 38.855 39.000 0.117 0.000 1.470 458 F HN 0.443 nan 8.300 nan 0.000 0.634 459 N N 3.208 121.972 118.700 0.106 0.000 2.663 459 N HA -0.021 4.718 4.740 -0.001 0.000 0.250 459 N C 0.384 175.975 175.510 0.136 0.000 1.129 459 N CA -0.068 53.066 53.050 0.140 0.000 0.995 459 N CB -0.119 38.460 38.487 0.155 0.000 1.324 459 N HN 0.412 nan 8.380 nan 0.000 0.512 460 N N 0.693 119.489 118.700 0.160 0.000 2.235 460 N HA -0.050 4.689 4.740 -0.001 0.000 0.209 460 N C 0.043 175.622 175.510 0.114 0.000 1.122 460 N CA 0.148 53.279 53.050 0.135 0.000 0.845 460 N CB -0.377 38.208 38.487 0.163 0.000 1.004 460 N HN 0.269 nan 8.380 nan 0.000 0.499 461 S N -2.156 113.625 115.700 0.134 0.000 3.462 461 S HA -0.217 4.252 4.470 -0.001 0.000 0.370 461 S C -0.068 174.590 174.600 0.097 0.000 1.028 461 S CA 0.633 58.905 58.200 0.121 0.000 1.119 461 S CB -2.365 60.879 63.200 0.074 0.000 0.906 461 S HN 0.513 nan 8.310 nan 0.000 0.471 462 V N 0.058 120.036 119.914 0.105 0.000 3.242 462 V HA 0.511 4.630 4.120 -0.001 0.000 0.298 462 V C -0.571 175.571 176.094 0.080 0.000 1.352 462 V CA -1.195 61.155 62.300 0.083 0.000 1.052 462 V CB 2.078 33.944 31.823 0.071 0.000 1.101 462 V HN 0.441 nan 8.190 nan 0.000 0.446 463 L N 4.744 126.003 121.223 0.059 0.000 2.423 463 L HA 0.452 4.791 4.340 -0.001 0.000 0.249 463 L C 1.117 178.007 176.870 0.032 0.000 1.276 463 L CA 0.215 55.080 54.840 0.042 0.000 1.199 463 L CB -0.061 42.016 42.059 0.030 0.000 1.407 463 L HN 0.806 nan 8.230 nan 0.000 0.410 480 T N -1.077 113.493 114.554 0.027 0.000 3.040 480 T HA 0.381 4.730 4.350 -0.001 0.000 0.266 480 T C 0.374 175.098 174.700 0.041 0.000 1.005 480 T CA -0.066 62.053 62.100 0.031 0.000 0.906 480 T CB 0.609 69.493 68.868 0.026 0.000 1.082 480 T HN 0.272 nan 8.240 nan 0.000 0.531 481 E N 1.387 121.611 120.200 0.040 0.000 2.314 481 E HA 0.599 4.948 4.350 -0.001 0.000 0.262 481 E C -0.811 175.826 176.600 0.062 0.000 1.093 481 E CA -0.698 55.729 56.400 0.045 0.000 0.908 481 E CB 1.338 31.056 29.700 0.029 0.000 1.091 481 E HN 0.331 nan 8.360 nan 0.000 0.425 482 L N 1.653 122.921 121.223 0.075 0.000 2.406 482 L HA 0.229 4.568 4.340 -0.001 0.000 0.272 482 L C 0.087 177.023 176.870 0.110 0.000 0.980 482 L CA -0.986 53.918 54.840 0.107 0.000 0.831 482 L CB 1.427 43.571 42.059 0.142 0.000 1.253 482 L HN 0.560 nan 8.230 nan 0.000 0.406 483 H N 3.490 122.573 119.070 0.021 0.000 3.201 483 H HA -0.126 4.430 4.556 -0.001 0.000 0.301 483 H C -0.554 174.763 175.328 -0.019 0.000 0.948 483 H CA 0.617 56.664 56.048 -0.002 0.000 1.369 483 H CB 0.624 30.378 29.762 -0.012 0.000 1.293 483 H HN 0.541 nan 8.280 nan 0.000 0.575 484 D N 4.355 124.671 120.400 -0.140 0.000 2.554 484 D HA -0.024 4.615 4.640 -0.001 0.000 0.251 484 D C -0.147 176.183 176.300 0.050 0.000 1.213 484 D CA 0.751 54.726 54.000 -0.042 0.000 0.900 484 D CB 0.205 40.935 40.800 -0.116 0.000 1.135 484 D HN 0.388 nan 8.370 nan 0.000 0.522 485 T N 2.805 117.323 114.554 -0.059 0.000 2.807 485 T HA 0.208 4.557 4.350 -0.001 0.000 0.279 485 T C 0.329 174.789 174.700 -0.401 0.000 0.993 485 T CA -0.929 60.995 62.100 -0.293 0.000 0.970 485 T CB 1.245 69.769 68.868 -0.573 0.000 0.950 485 T HN 0.122 nan 8.240 nan 0.000 0.441 486 N N 2.491 120.987 118.700 -0.341 0.000 2.558 486 N HA 0.199 4.938 4.740 -0.001 0.000 0.233 486 N C 0.066 175.411 175.510 -0.276 0.000 1.038 486 N CA -0.616 52.298 53.050 -0.226 0.000 0.934 486 N CB 0.040 38.464 38.487 -0.104 0.000 1.175 486 N HN 0.439 nan 8.380 nan 0.000 0.512 487 F N 1.758 121.673 119.950 -0.057 0.000 2.325 487 F HA 0.056 4.582 4.527 -0.001 0.000 0.299 487 F C 2.284 178.012 175.800 -0.120 0.000 1.090 487 F CA 0.660 58.591 58.000 -0.114 0.000 1.392 487 F CB -0.267 38.579 39.000 -0.256 0.000 1.053 487 F HN 0.569 nan 8.300 nan 0.000 0.521 488 A N 0.155 123.009 122.820 0.058 0.000 1.902 488 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 488 A C 2.405 180.014 177.584 0.042 0.000 1.181 488 A CA 1.408 53.463 52.037 0.030 0.000 0.623 488 A CB -0.627 18.377 19.000 0.006 0.000 0.818 488 A HN 0.244 nan 8.150 nan 0.000 0.443 489 R N -0.663 119.848 120.500 0.018 0.000 2.081 489 R HA -0.061 4.279 4.340 -0.001 0.000 0.235 489 R C 2.000 178.333 176.300 0.054 0.000 1.131 489 R CA 1.552 57.664 56.100 0.021 0.000 0.960 489 R CB -0.401 29.893 30.300 -0.010 0.000 0.856 489 R HN 0.616 nan 8.270 nan 0.000 0.436 490 I N 0.256 120.862 120.570 0.060 0.000 2.226 490 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 490 I C 2.557 178.808 176.117 0.223 0.000 1.100 490 I CA 1.180 62.553 61.300 0.121 0.000 1.374 490 I CB -0.357 37.725 38.000 0.137 0.000 1.057 490 I HN 0.187 nan 8.210 nan 0.000 0.413 491 A N 0.501 123.459 122.820 0.229 0.000 1.865 491 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 491 A C 2.245 179.996 177.584 0.279 0.000 1.191 491 A CA 1.685 53.966 52.037 0.407 0.000 0.623 491 A CB -0.554 18.634 19.000 0.312 0.000 0.826 491 A HN 0.364 nan 8.150 nan 0.000 0.444 492 E N -0.220 120.077 120.200 0.162 0.000 2.118 492 E HA -0.187 4.162 4.350 -0.001 0.000 0.195 492 E C 2.274 178.935 176.600 0.103 0.000 0.992 492 E CA 1.283 57.748 56.400 0.108 0.000 0.804 492 E CB -0.506 29.235 29.700 0.068 0.000 0.741 492 E HN 0.607 nan 8.360 nan 0.000 0.458 493 A N 0.383 123.271 122.820 0.113 0.000 2.067 493 A HA -0.132 4.188 4.320 -0.001 0.000 0.219 493 A C 2.317 179.966 177.584 0.108 0.000 1.158 493 A CA 0.924 53.018 52.037 0.095 0.000 0.661 493 A CB -0.418 18.634 19.000 0.087 0.000 0.801 493 A HN 0.307 nan 8.150 nan 0.000 0.452 494 C N -1.334 118.061 119.300 0.160 0.000 2.626 494 C HA 0.449 4.908 4.460 -0.001 0.000 0.266 494 C C 1.959 176.984 174.990 0.058 0.000 1.317 494 C CA 0.215 59.312 59.018 0.132 0.000 1.716 494 C CB -1.049 26.824 27.740 0.222 0.000 1.819 494 C HN 1.029 nan 8.230 nan 0.000 0.578 495 G N 0.943 109.784 108.800 0.067 0.000 2.141 495 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.242 495 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.242 495 G C -0.132 174.784 174.900 0.026 0.000 0.982 495 G CA -0.088 45.032 45.100 0.034 0.000 0.662 495 G HN 0.532 nan 8.290 nan 0.000 0.527 496 I N 1.457 122.063 120.570 0.060 0.000 2.460 496 I HA 0.344 4.514 4.170 -0.001 0.000 0.298 496 I C 0.916 177.101 176.117 0.113 0.000 0.989 496 I CA -0.820 60.524 61.300 0.073 0.000 1.173 496 I CB 1.641 39.695 38.000 0.091 0.000 1.338 496 I HN 0.014 nan 8.210 nan 0.000 0.456 497 T N 4.293 118.896 114.554 0.081 0.000 2.871 497 T HA 0.238 4.587 4.350 -0.001 0.000 0.296 497 T C 0.298 175.047 174.700 0.083 0.000 0.998 497 T CA -0.219 61.920 62.100 0.066 0.000 1.162 497 T CB 0.216 69.108 68.868 0.040 0.000 0.947 497 T HN 0.815 nan 8.240 nan 0.000 0.536 498 G N 2.476 111.313 108.800 0.062 0.000 2.530 498 G HA2 0.655 4.614 3.960 -0.001 0.000 0.316 498 G HA3 0.655 4.614 3.960 -0.001 0.000 0.316 498 G C -0.791 174.113 174.900 0.006 0.000 1.298 498 G CA -0.754 44.373 45.100 0.046 0.000 0.948 498 G HN 0.747 nan 8.290 nan 0.000 0.486 499 I N 1.647 122.206 120.570 -0.018 0.000 2.410 499 I HA 0.367 4.536 4.170 -0.001 0.000 0.286 499 I C -0.054 176.033 176.117 -0.049 0.000 1.009 499 I CA -0.993 60.282 61.300 -0.041 0.000 1.111 499 I CB 2.123 40.082 38.000 -0.068 0.000 1.262 499 I HN 0.332 nan 8.210 nan 0.000 0.443 500 R N 5.940 126.416 120.500 -0.041 0.000 2.221 500 R HA 0.565 4.904 4.340 -0.001 0.000 0.327 500 R C -1.553 174.714 176.300 -0.054 0.000 1.033 500 R CA -0.272 55.804 56.100 -0.041 0.000 0.887 500 R CB 0.970 31.253 30.300 -0.028 0.000 1.057 500 R HN 0.446 nan 8.270 nan 0.000 0.455 501 V N 5.598 125.472 119.914 -0.066 0.000 2.409 501 V HA 0.331 4.450 4.120 -0.001 0.000 0.291 501 V C 0.264 176.318 176.094 -0.067 0.000 1.020 501 V CA -0.406 61.850 62.300 -0.075 0.000 0.848 501 V CB 1.526 33.288 31.823 -0.102 0.000 0.990 501 V HN 0.959 nan 8.190 nan 0.000 0.430 502 E N 2.314 122.479 120.200 -0.059 0.000 2.474 502 E HA 0.223 4.572 4.350 -0.001 0.000 0.215 502 E C -0.055 176.508 176.600 -0.061 0.000 0.867 502 E CA -0.066 56.301 56.400 -0.056 0.000 1.135 502 E CB 1.008 30.680 29.700 -0.046 0.000 1.147 502 E HN 0.556 nan 8.360 nan 0.000 0.534 503 K N 0.475 120.840 120.400 -0.058 0.000 2.182 503 K HA 0.473 4.793 4.320 -0.001 0.000 0.262 503 K C 0.425 176.996 176.600 -0.047 0.000 0.957 503 K CA -0.197 56.053 56.287 -0.060 0.000 0.842 503 K CB 1.791 34.259 32.500 -0.054 0.000 1.099 503 K HN -0.077 nan 8.250 nan 0.000 0.438 504 A N 1.564 124.346 122.820 -0.062 0.000 1.978 504 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 504 A C 1.993 179.608 177.584 0.051 0.000 1.170 504 A CA 2.229 54.260 52.037 -0.011 0.000 0.636 504 A CB -0.647 18.252 19.000 -0.169 0.000 0.810 504 A HN 0.796 nan 8.150 nan 0.000 0.448 505 S N -0.242 115.451 115.700 -0.011 0.000 2.474 505 S HA -0.115 4.354 4.470 -0.001 0.000 0.235 505 S C 1.337 175.941 174.600 0.007 0.000 0.997 505 S CA 1.223 59.425 58.200 0.004 0.000 0.949 505 S CB -0.340 62.845 63.200 -0.025 0.000 0.766 505 S HN 0.709 nan 8.310 nan 0.000 0.517 506 E N 0.658 120.852 120.200 -0.011 0.000 2.442 506 E HA 0.096 4.446 4.350 -0.001 0.000 0.195 506 E C 1.701 178.268 176.600 -0.055 0.000 1.030 506 E CA 0.259 56.636 56.400 -0.038 0.000 0.869 506 E CB -0.057 29.612 29.700 -0.051 0.000 0.857 506 E HN 0.364 nan 8.360 nan 0.000 0.505 507 V N 1.968 121.871 119.914 -0.019 0.000 2.261 507 V HA -0.283 3.837 4.120 -0.001 0.000 0.246 507 V C 1.676 177.699 176.094 -0.118 0.000 1.047 507 V CA 2.109 64.369 62.300 -0.067 0.000 1.015 507 V CB -0.360 31.440 31.823 -0.038 0.000 0.642 507 V HN 0.208 nan 8.190 nan 0.000 0.446 508 D N -0.036 120.335 120.400 -0.048 0.000 2.106 508 D HA -0.220 4.420 4.640 -0.001 0.000 0.191 508 D C 2.161 178.240 176.300 -0.368 0.000 0.997 508 D CA 1.874 55.805 54.000 -0.115 0.000 0.834 508 D CB -0.316 40.535 40.800 0.086 0.000 0.956 508 D HN 0.746 nan 8.370 nan 0.000 0.448 509 E N 0.831 120.894 120.200 -0.229 0.000 2.150 509 E HA -0.055 4.294 4.350 -0.001 0.000 0.193 509 E C 1.838 178.280 176.600 -0.264 0.000 0.985 509 E CA 1.460 57.716 56.400 -0.241 0.000 0.814 509 E CB -0.288 29.328 29.700 -0.140 0.000 0.752 509 E HN 0.156 nan 8.360 nan 0.000 0.466 510 A N 1.142 123.820 122.820 -0.236 0.000 1.898 510 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 510 A C 2.308 179.680 177.584 -0.354 0.000 1.181 510 A CA 1.425 53.320 52.037 -0.236 0.000 0.620 510 A CB -0.716 18.172 19.000 -0.187 0.000 0.819 510 A HN 0.341 nan 8.150 nan 0.000 0.442 511 L N -0.988 119.958 121.223 -0.462 0.000 2.056 511 L HA -0.230 4.109 4.340 -0.001 0.000 0.207 511 L C 2.901 179.220 176.870 -0.919 0.000 1.078 511 L CA 1.484 55.866 54.840 -0.763 0.000 0.749 511 L CB -0.647 41.053 42.059 -0.598 0.000 0.901 511 L HN 0.478 nan 8.230 nan 0.000 0.433 512 Q N -0.347 119.036 119.800 -0.696 0.000 2.084 512 Q HA -0.247 4.093 4.340 -0.001 0.000 0.202 512 Q C 2.328 178.162 176.000 -0.276 0.000 0.978 512 Q CA 1.523 57.035 55.803 -0.485 0.000 0.844 512 Q CB -0.143 28.293 28.738 -0.504 0.000 0.898 512 Q HN 0.360 nan 8.270 nan 0.000 0.426 513 R N 0.399 120.742 120.500 -0.261 0.000 2.073 513 R HA -0.145 4.195 4.340 -0.001 0.000 0.234 513 R C 2.210 178.437 176.300 -0.122 0.000 1.134 513 R CA 1.288 57.297 56.100 -0.153 0.000 0.952 513 R CB -0.286 29.934 30.300 -0.133 0.000 0.850 513 R HN 0.239 nan 8.270 nan 0.000 0.433 514 A N 0.458 123.156 122.820 -0.204 0.000 1.908 514 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 514 A C 1.885 179.521 177.584 0.086 0.000 1.181 514 A CA 1.365 53.336 52.037 -0.111 0.000 0.627 514 A CB -0.672 18.200 19.000 -0.214 0.000 0.818 514 A HN 0.379 nan 8.150 nan 0.000 0.445 515 F N 0.693 120.622 119.950 -0.036 0.000 2.259 515 F HA -0.024 4.502 4.527 -0.001 0.000 0.298 515 F C 2.661 178.447 175.800 -0.024 0.000 1.088 515 F CA 0.817 58.804 58.000 -0.022 0.000 1.358 515 F CB -1.053 37.941 39.000 -0.011 0.000 1.040 515 F HN 0.157 nan 8.300 nan 0.000 0.505 516 S N -0.125 115.656 115.700 0.136 0.000 2.414 516 S HA 0.056 4.526 4.470 -0.001 0.000 0.227 516 S C 1.029 175.656 174.600 0.046 0.000 1.022 516 S CA 0.038 58.278 58.200 0.067 0.000 0.958 516 S CB -0.286 62.928 63.200 0.023 0.000 0.797 516 S HN 0.087 nan 8.310 nan 0.000 0.493 517 I N 3.072 123.667 120.570 0.041 0.000 2.752 517 I HA -0.070 4.099 4.170 -0.001 0.000 0.289 517 I C 0.388 176.525 176.117 0.034 0.000 1.197 517 I CA 0.076 61.393 61.300 0.029 0.000 1.432 517 I CB 0.275 38.289 38.000 0.024 0.000 1.359 517 I HN 0.013 nan 8.210 nan 0.000 0.571 518 D N 6.083 126.496 120.400 0.022 0.000 2.671 518 D HA 0.381 5.020 4.640 -0.001 0.000 0.228 518 D C 0.114 176.424 176.300 0.017 0.000 1.102 518 D CA 0.454 54.465 54.000 0.017 0.000 1.044 518 D CB -0.273 40.534 40.800 0.011 0.000 1.113 518 D HN 0.716 nan 8.370 nan 0.000 0.480 519 G N 1.401 110.216 108.800 0.025 0.000 2.313 519 G HA2 0.208 4.167 3.960 -0.001 0.000 0.296 519 G HA3 0.208 4.167 3.960 -0.001 0.000 0.296 519 G C -3.160 171.763 174.900 0.038 0.000 1.356 519 G CA -1.003 44.110 45.100 0.023 0.000 0.833 519 G HN 0.027 nan 8.290 nan 0.000 0.552 520 P HA 0.562 nan 4.420 nan 0.000 0.274 520 P C -0.661 176.689 177.300 0.084 0.000 1.231 520 P CA -0.304 62.831 63.100 0.060 0.000 0.790 520 P CB 1.820 33.539 31.700 0.031 0.000 0.951 521 V N 2.953 122.938 119.914 0.118 0.000 2.932 521 V HA 0.362 4.481 4.120 -0.001 0.000 0.307 521 V C -0.261 175.911 176.094 0.130 0.000 1.147 521 V CA -0.757 61.610 62.300 0.111 0.000 0.951 521 V CB 2.288 34.155 31.823 0.073 0.000 1.031 521 V HN 0.450 nan 8.190 nan 0.000 0.426 522 L N 4.447 125.739 121.223 0.114 0.000 2.305 522 L HA 0.738 5.077 4.340 -0.001 0.000 0.284 522 L C -0.978 175.868 176.870 -0.040 0.000 1.013 522 L CA -0.440 54.412 54.840 0.021 0.000 0.819 522 L CB 1.579 43.620 42.059 -0.029 0.000 1.227 522 L HN 0.525 nan 8.230 nan 0.000 0.417 523 V N 3.709 123.576 119.914 -0.078 0.000 2.333 523 V HA 0.263 4.382 4.120 -0.001 0.000 0.274 523 V C -0.484 175.529 176.094 -0.135 0.000 1.028 523 V CA -0.526 61.712 62.300 -0.104 0.000 0.851 523 V CB 1.256 33.003 31.823 -0.126 0.000 1.000 523 V HN 0.649 nan 8.190 nan 0.000 0.456 524 D N 4.816 125.154 120.400 -0.104 0.000 2.443 524 D HA 0.335 4.975 4.640 -0.001 0.000 0.221 524 D C -0.521 175.731 176.300 -0.079 0.000 1.097 524 D CA -0.097 53.858 54.000 -0.074 0.000 0.865 524 D CB 1.335 42.143 40.800 0.013 0.000 1.034 524 D HN 0.281 nan 8.370 nan 0.000 0.511 525 V N 4.514 124.351 119.914 -0.130 0.000 2.350 525 V HA 0.221 4.340 4.120 -0.001 0.000 0.276 525 V C 0.493 176.526 176.094 -0.101 0.000 1.028 525 V CA -1.023 61.186 62.300 -0.152 0.000 0.860 525 V CB 1.516 33.175 31.823 -0.274 0.000 0.990 525 V HN 0.288 nan 8.190 nan 0.000 0.453 526 V N 6.887 126.765 119.914 -0.060 0.000 2.446 526 V HA 0.197 4.317 4.120 -0.001 0.000 0.276 526 V C 0.343 176.412 176.094 -0.042 0.000 1.030 526 V CA 0.146 62.430 62.300 -0.026 0.000 1.033 526 V CB 0.956 32.767 31.823 -0.022 0.000 0.993 526 V HN 0.761 nan 8.190 nan 0.000 0.477 527 V N 3.007 122.918 119.914 -0.006 0.000 2.919 527 V HA 1.011 5.130 4.120 -0.001 0.000 0.316 527 V C 0.262 176.383 176.094 0.044 0.000 1.077 527 V CA -0.809 61.492 62.300 0.001 0.000 0.977 527 V CB 1.721 33.564 31.823 0.034 0.000 1.039 527 V HN 0.875 nan 8.190 nan 0.000 0.441 528 A N 2.516 125.360 122.820 0.040 0.000 2.272 528 A HA 0.606 4.925 4.320 -0.001 0.000 0.275 528 A C 0.269 177.933 177.584 0.133 0.000 1.096 528 A CA -0.681 51.399 52.037 0.072 0.000 0.822 528 A CB 0.276 19.318 19.000 0.071 0.000 1.088 528 A HN 0.940 nan 8.150 nan 0.000 0.495 529 K N 0.908 121.385 120.400 0.128 0.000 2.118 529 K HA 0.552 4.871 4.320 -0.001 0.000 0.267 529 K C -0.805 175.893 176.600 0.163 0.000 0.991 529 K CA -0.529 55.853 56.287 0.157 0.000 0.916 529 K CB 1.053 33.622 32.500 0.114 0.000 1.041 529 K HN 0.626 nan 8.250 nan 0.000 0.455 530 E N 1.568 121.896 120.200 0.213 0.000 2.393 530 E HA 0.190 4.540 4.350 -0.001 0.000 0.273 530 E C -0.601 176.117 176.600 0.197 0.000 0.918 530 E CA -0.686 55.846 56.400 0.221 0.000 0.773 530 E CB 1.999 31.901 29.700 0.336 0.000 1.275 530 E HN 0.461 nan 8.360 nan 0.000 0.451 531 E N 1.101 121.390 120.200 0.148 0.000 2.351 531 E HA 0.214 4.564 4.350 -0.001 0.000 0.255 531 E C 0.854 177.533 176.600 0.133 0.000 1.188 531 E CA -0.345 56.117 56.400 0.104 0.000 0.940 531 E CB 1.066 30.803 29.700 0.061 0.000 1.094 531 E HN 0.374 nan 8.360 nan 0.000 0.474 532 L N -0.033 121.229 121.223 0.065 0.000 2.556 532 L HA 0.190 4.530 4.340 -0.001 0.000 0.226 532 L C 0.875 177.767 176.870 0.036 0.000 1.089 532 L CA 0.092 54.957 54.840 0.042 0.000 0.864 532 L CB 0.301 42.347 42.059 -0.021 0.000 1.067 532 L HN 0.417 nan 8.230 nan 0.000 0.477 533 A N 0.000 122.835 122.820 0.025 0.000 2.254 533 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 533 A CA 0.000 52.042 52.037 0.008 0.000 0.836 533 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 533 A HN 0.000 nan 8.150 nan 0.000 0.486