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 3klg_1_B DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKDSTKWR KLVDFRELNK RTQDFWEVQL GIPHPAGLKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFK KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPXXXXX XXXXXXXXGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLSKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.650 174.600 0.083 0.000 1.055 3 S CA 0.000 58.254 58.200 0.090 0.000 1.107 3 S CB 0.000 63.252 63.200 0.088 0.000 0.593 4 P HA 0.723 nan 4.420 nan 0.000 0.284 4 P C 0.935 178.277 177.300 0.069 0.000 1.287 4 P CA -0.390 62.754 63.100 0.073 0.000 0.824 4 P CB 0.876 32.617 31.700 0.067 0.000 1.180 5 I N -1.980 118.620 120.570 0.050 0.000 4.908 5 I HA -0.379 3.791 4.170 0.000 0.000 0.038 5 I C 0.500 176.645 176.117 0.047 0.000 0.635 5 I CA 1.506 62.832 61.300 0.043 0.000 0.202 5 I CB -1.199 36.825 38.000 0.040 0.000 0.318 5 I HN 0.616 nan 8.210 nan 0.000 0.150 6 E N -1.200 119.031 120.200 0.052 0.000 2.394 6 E HA 0.455 4.805 4.350 0.000 0.000 0.266 6 E C -1.347 175.289 176.600 0.060 0.000 1.065 6 E CA -0.219 56.212 56.400 0.050 0.000 0.885 6 E CB 1.240 30.964 29.700 0.040 0.000 1.659 6 E HN 0.615 nan 8.360 nan 0.000 0.462 7 T N -1.053 113.534 114.554 0.055 0.000 2.744 7 T HA 0.452 4.802 4.350 0.000 0.000 0.291 7 T C 0.045 174.769 174.700 0.041 0.000 0.957 7 T CA -0.747 61.387 62.100 0.056 0.000 1.002 7 T CB 0.425 69.326 68.868 0.055 0.000 0.919 7 T HN 0.211 nan 8.240 nan 0.000 0.468 8 V N 6.945 126.884 119.914 0.042 0.000 2.555 8 V HA 0.312 4.432 4.120 0.000 0.000 0.286 8 V C -1.637 174.434 176.094 -0.039 0.000 1.044 8 V CA -1.649 60.669 62.300 0.031 0.000 1.026 8 V CB 0.498 32.369 31.823 0.079 0.000 0.981 8 V HN 0.831 nan 8.190 nan 0.000 0.480 9 P HA 0.199 nan 4.420 nan 0.000 0.281 9 P C -0.656 176.525 177.300 -0.197 0.000 1.286 9 P CA -0.148 62.904 63.100 -0.081 0.000 0.772 9 P CB 1.185 32.873 31.700 -0.020 0.000 0.862 10 V N 5.203 124.899 119.914 -0.364 0.000 2.322 10 V HA 0.143 4.263 4.120 0.000 0.000 0.258 10 V C 1.091 177.023 176.094 -0.270 0.000 1.074 10 V CA -0.346 61.576 62.300 -0.630 0.000 0.909 10 V CB 0.029 31.264 31.823 -0.981 0.000 1.090 10 V HN 0.500 nan 8.190 nan 0.000 0.486 11 K N 4.843 125.159 120.400 -0.139 0.000 2.228 11 K HA 0.262 4.583 4.320 0.000 0.000 0.284 11 K C -0.344 176.249 176.600 -0.012 0.000 1.088 11 K CA -0.498 55.769 56.287 -0.033 0.000 0.941 11 K CB 0.300 32.814 32.500 0.023 0.000 1.158 11 K HN 0.548 nan 8.250 nan 0.000 0.438 12 L N 3.578 124.786 121.223 -0.026 0.000 2.439 12 L HA 0.192 4.532 4.340 0.000 0.000 0.261 12 L C -0.170 176.706 176.870 0.010 0.000 1.153 12 L CA 0.135 54.971 54.840 -0.008 0.000 0.808 12 L CB 0.678 42.696 42.059 -0.068 0.000 1.126 12 L HN 0.464 nan 8.230 nan 0.000 0.460 13 K N 3.554 123.967 120.400 0.021 0.000 2.448 13 K HA 0.161 4.481 4.320 0.000 0.000 0.278 13 K C -2.215 174.404 176.600 0.033 0.000 1.009 13 K CA -1.286 55.014 56.287 0.022 0.000 0.995 13 K CB 0.037 32.550 32.500 0.021 0.000 0.917 13 K HN 0.454 nan 8.250 nan 0.000 0.481 14 P HA -0.037 nan 4.420 nan 0.000 0.267 14 P C 0.637 177.960 177.300 0.039 0.000 1.205 14 P CA 0.620 63.740 63.100 0.034 0.000 0.765 14 P CB 0.741 32.456 31.700 0.025 0.000 0.828 15 G N 2.047 110.876 108.800 0.048 0.000 2.304 15 G HA2 -0.333 3.627 3.960 0.000 0.000 0.252 15 G HA3 -0.333 3.627 3.960 0.000 0.000 0.252 15 G C 0.252 175.190 174.900 0.062 0.000 1.014 15 G CA 0.267 45.397 45.100 0.049 0.000 0.619 15 G HN 0.569 nan 8.290 nan 0.000 0.525 16 M N 2.397 122.039 119.600 0.069 0.000 2.219 16 M HA 0.487 4.967 4.480 0.000 0.000 0.353 16 M C 0.148 176.527 176.300 0.131 0.000 1.304 16 M CA -0.309 55.042 55.300 0.085 0.000 1.115 16 M CB 0.697 33.343 32.600 0.076 0.000 1.664 16 M HN 0.286 nan 8.290 nan 0.000 0.459 17 D N 2.729 123.211 120.400 0.137 0.000 2.326 17 D HA 0.490 5.130 4.640 0.000 0.000 0.251 17 D C -0.010 176.418 176.300 0.214 0.000 1.023 17 D CA -0.218 53.896 54.000 0.190 0.000 0.966 17 D CB 1.559 42.442 40.800 0.138 0.000 1.156 17 D HN 0.744 nan 8.370 nan 0.000 0.494 18 G N 0.775 109.720 108.800 0.242 0.000 2.486 18 G HA2 0.279 4.239 3.960 0.000 0.000 0.272 18 G HA3 0.279 4.239 3.960 0.000 0.000 0.272 18 G C -2.163 172.843 174.900 0.177 0.000 1.426 18 G CA -0.535 44.649 45.100 0.140 0.000 1.058 18 G HN 0.431 nan 8.290 nan 0.000 0.531 19 P HA 0.287 nan 4.420 nan 0.000 0.274 19 P C -0.732 176.648 177.300 0.134 0.000 1.246 19 P CA -0.048 63.122 63.100 0.117 0.000 0.795 19 P CB 1.475 33.215 31.700 0.068 0.000 1.006 20 K N 0.202 120.643 120.400 0.068 0.000 2.850 20 K HA 0.202 4.522 4.320 0.000 0.000 0.175 20 K C -0.922 175.692 176.600 0.024 0.000 1.137 20 K CA -0.065 56.242 56.287 0.034 0.000 1.125 20 K CB -0.195 32.311 32.500 0.010 0.000 0.766 20 K HN 0.094 nan 8.250 nan 0.000 0.438 21 V N 2.383 122.316 119.914 0.031 0.000 2.585 21 V HA 0.114 4.234 4.120 0.000 0.000 0.296 21 V C 0.655 176.780 176.094 0.051 0.000 1.035 21 V CA 0.085 62.411 62.300 0.042 0.000 1.084 21 V CB 0.797 32.649 31.823 0.049 0.000 0.953 21 V HN 0.206 nan 8.190 nan 0.000 0.483 22 K N 2.757 123.199 120.400 0.069 0.000 2.102 22 K HA 0.371 4.691 4.320 0.000 0.000 0.244 22 K C -0.161 176.501 176.600 0.103 0.000 1.021 22 K CA -0.613 55.714 56.287 0.066 0.000 0.913 22 K CB 0.518 33.056 32.500 0.062 0.000 1.062 22 K HN 0.643 nan 8.250 nan 0.000 0.485 23 Q N 2.030 121.861 119.800 0.052 0.000 2.278 23 Q HA 0.140 4.480 4.340 0.000 0.000 0.257 23 Q C -1.489 174.552 176.000 0.070 0.000 0.928 23 Q CA -0.607 55.182 55.803 -0.023 0.000 0.932 23 Q CB 0.680 29.370 28.738 -0.080 0.000 1.221 23 Q HN 0.484 nan 8.270 nan 0.000 0.434 24 W N 3.880 125.182 121.300 0.003 0.000 2.338 24 W HA 0.515 5.175 4.660 0.001 0.000 0.307 24 W C -2.467 174.043 176.519 -0.015 0.000 1.167 24 W CA -2.703 54.633 57.345 -0.015 0.000 1.208 24 W CB -0.450 28.994 29.460 -0.027 0.000 1.228 24 W HN 0.534 nan 8.180 nan 0.000 0.499 25 P HA -0.116 nan 4.420 nan 0.000 0.270 25 P C -0.660 176.725 177.300 0.142 0.000 1.167 25 P CA 0.821 63.991 63.100 0.117 0.000 0.759 25 P CB 0.442 32.193 31.700 0.084 0.000 0.777 26 L N 0.741 121.993 121.223 0.048 0.000 2.350 26 L HA 0.516 4.856 4.340 0.000 0.000 0.260 26 L C 0.483 177.357 176.870 0.006 0.000 1.015 26 L CA -0.563 54.297 54.840 0.035 0.000 0.821 26 L CB 1.781 43.818 42.059 -0.037 0.000 1.370 26 L HN 0.283 nan 8.230 nan 0.000 0.416 27 T N -3.316 111.238 114.554 0.001 0.000 2.849 27 T HA 0.224 4.574 4.350 0.000 0.000 0.284 27 T C 0.824 175.493 174.700 -0.052 0.000 1.004 27 T CA -0.639 61.454 62.100 -0.013 0.000 1.021 27 T CB 0.994 69.864 68.868 0.004 0.000 1.013 27 T HN 0.624 nan 8.240 nan 0.000 0.527 28 E N 0.556 120.728 120.200 -0.047 0.000 2.153 28 E HA -0.177 4.173 4.350 0.000 0.000 0.194 28 E C 2.186 178.711 176.600 -0.126 0.000 0.988 28 E CA 1.305 57.663 56.400 -0.070 0.000 0.811 28 E CB 0.003 29.678 29.700 -0.042 0.000 0.746 28 E HN 0.805 nan 8.360 nan 0.000 0.466 29 E N 1.429 121.558 120.200 -0.118 0.000 2.038 29 E HA -0.248 4.103 4.350 0.000 0.000 0.195 29 E C 1.915 178.204 176.600 -0.518 0.000 1.000 29 E CA 1.338 57.618 56.400 -0.200 0.000 0.803 29 E CB -0.365 29.310 29.700 -0.041 0.000 0.750 29 E HN 0.303 nan 8.360 nan 0.000 0.448 30 K N 0.424 120.576 120.400 -0.414 0.000 2.186 30 K HA 0.086 4.406 4.320 0.000 0.000 0.202 30 K C 2.301 178.690 176.600 -0.351 0.000 1.052 30 K CA 0.513 56.500 56.287 -0.501 0.000 0.965 30 K CB 0.039 32.417 32.500 -0.203 0.000 0.746 30 K HN 0.059 nan 8.250 nan 0.000 0.457 31 I N 2.423 122.857 120.570 -0.226 0.000 2.179 31 I HA -0.206 3.964 4.170 0.000 0.000 0.242 31 I C 2.073 178.088 176.117 -0.170 0.000 1.088 31 I CA 1.562 62.768 61.300 -0.156 0.000 1.357 31 I CB -0.373 37.567 38.000 -0.099 0.000 1.051 31 I HN 0.256 nan 8.210 nan 0.000 0.409 32 K N 0.525 120.803 120.400 -0.203 0.000 2.217 32 K HA -0.013 4.308 4.320 0.000 0.000 0.202 32 K C 2.113 178.570 176.600 -0.238 0.000 1.051 32 K CA 1.041 57.222 56.287 -0.178 0.000 0.952 32 K CB -0.014 32.398 32.500 -0.147 0.000 0.736 32 K HN 0.252 nan 8.250 nan 0.000 0.453 33 A N 0.802 123.367 122.820 -0.425 0.000 1.968 33 A HA -0.085 4.235 4.320 0.000 0.000 0.217 33 A C 1.951 179.372 177.584 -0.272 0.000 1.169 33 A CA 0.891 52.610 52.037 -0.530 0.000 0.638 33 A CB -0.206 17.982 19.000 -1.354 0.000 0.812 33 A HN 0.177 nan 8.150 nan 0.000 0.446 34 L N -0.513 120.574 121.223 -0.227 0.000 2.131 34 L HA -0.012 4.328 4.340 0.000 0.000 0.206 34 L C 2.331 179.157 176.870 -0.073 0.000 1.087 34 L CA 1.169 55.932 54.840 -0.128 0.000 0.767 34 L CB -0.301 41.694 42.059 -0.106 0.000 0.917 34 L HN 0.159 nan 8.230 nan 0.000 0.441 35 V N -0.173 119.705 119.914 -0.061 0.000 2.215 35 V HA -0.377 3.743 4.120 0.000 0.000 0.246 35 V C 2.464 178.536 176.094 -0.037 0.000 1.047 35 V CA 2.230 64.518 62.300 -0.019 0.000 0.999 35 V CB -0.715 31.096 31.823 -0.019 0.000 0.635 35 V HN 0.545 nan 8.190 nan 0.000 0.450 36 E N -0.507 119.668 120.200 -0.042 0.000 2.068 36 E HA -0.339 4.011 4.350 0.000 0.000 0.207 36 E C 2.150 178.718 176.600 -0.052 0.000 1.032 36 E CA 2.413 58.790 56.400 -0.038 0.000 0.839 36 E CB -0.327 29.357 29.700 -0.028 0.000 0.758 36 E HN 0.469 nan 8.360 nan 0.000 0.457 37 I N 0.539 121.078 120.570 -0.052 0.000 2.181 37 I HA -0.405 3.765 4.170 0.000 0.000 0.247 37 I C 2.297 178.350 176.117 -0.106 0.000 1.081 37 I CA 1.619 62.885 61.300 -0.056 0.000 1.340 37 I CB -0.151 37.824 38.000 -0.043 0.000 1.036 37 I HN 0.359 nan 8.210 nan 0.000 0.417 38 C N -1.023 118.198 119.300 -0.132 0.000 2.486 38 C HA -0.068 4.392 4.460 0.000 0.000 0.279 38 C C 2.689 177.535 174.990 -0.239 0.000 1.302 38 C CA 1.119 59.993 59.018 -0.239 0.000 1.720 38 C CB -1.340 26.196 27.740 -0.340 0.000 2.030 38 C HN 0.511 nan 8.230 nan 0.000 0.490 39 T N 1.018 115.490 114.554 -0.137 0.000 2.720 39 T HA -0.231 4.119 4.350 0.000 0.000 0.268 39 T C 1.691 176.339 174.700 -0.087 0.000 1.037 39 T CA 2.039 64.091 62.100 -0.080 0.000 1.144 39 T CB -0.322 68.527 68.868 -0.032 0.000 0.864 39 T HN 0.569 nan 8.240 nan 0.000 0.444 40 E N 0.817 120.963 120.200 -0.090 0.000 2.110 40 E HA -0.001 4.349 4.350 0.000 0.000 0.193 40 E C 1.986 178.510 176.600 -0.126 0.000 0.988 40 E CA 1.121 57.470 56.400 -0.084 0.000 0.804 40 E CB -0.262 29.397 29.700 -0.069 0.000 0.745 40 E HN 0.492 nan 8.360 nan 0.000 0.458 41 M N -0.408 119.081 119.600 -0.185 0.000 2.506 41 M HA 0.012 4.492 4.480 0.000 0.000 0.260 41 M C 2.070 178.240 176.300 -0.216 0.000 1.104 41 M CA 0.767 55.913 55.300 -0.257 0.000 1.112 41 M CB 0.137 32.523 32.600 -0.357 0.000 1.401 41 M HN 0.122 nan 8.290 nan 0.000 0.473 42 E N 1.056 121.149 120.200 -0.178 0.000 2.076 42 E HA -0.188 4.162 4.350 0.000 0.000 0.190 42 E C 1.976 178.535 176.600 -0.068 0.000 0.979 42 E CA 0.940 57.270 56.400 -0.116 0.000 0.807 42 E CB 0.182 29.843 29.700 -0.064 0.000 0.761 42 E HN 0.336 nan 8.360 nan 0.000 0.454 43 K N 0.675 121.038 120.400 -0.062 0.000 2.057 43 K HA -0.162 4.158 4.320 0.000 0.000 0.207 43 K C 1.438 178.014 176.600 -0.040 0.000 1.049 43 K CA 1.592 57.856 56.287 -0.039 0.000 0.931 43 K CB 0.049 32.529 32.500 -0.034 0.000 0.714 43 K HN 0.095 nan 8.250 nan 0.000 0.440 44 E N -0.616 119.548 120.200 -0.060 0.000 2.494 44 E HA 0.031 4.381 4.350 0.000 0.000 0.193 44 E C 0.365 176.936 176.600 -0.049 0.000 1.074 44 E CA 0.283 56.653 56.400 -0.051 0.000 0.867 44 E CB 0.207 29.867 29.700 -0.066 0.000 0.924 44 E HN 0.595 nan 8.360 nan 0.000 0.502 45 G N 1.996 110.764 108.800 -0.053 0.000 2.249 45 G HA2 -0.364 3.596 3.960 0.000 0.000 0.273 45 G HA3 -0.364 3.596 3.960 0.000 0.000 0.273 45 G C 0.746 175.617 174.900 -0.050 0.000 1.036 45 G CA 0.918 45.995 45.100 -0.039 0.000 0.824 45 G HN 0.286 nan 8.290 nan 0.000 0.504 46 K N -0.848 119.483 120.400 -0.116 0.000 2.166 46 K HA 0.304 4.624 4.320 0.000 0.000 0.201 46 K C 1.316 177.798 176.600 -0.197 0.000 1.052 46 K CA 1.272 57.466 56.287 -0.156 0.000 0.969 46 K CB 0.198 32.498 32.500 -0.334 0.000 0.761 46 K HN 0.776 nan 8.250 nan 0.000 0.459 47 I N -2.230 118.198 120.570 -0.237 0.000 2.608 47 I HA 0.380 4.550 4.170 0.000 0.000 0.295 47 I C -0.492 175.575 176.117 -0.082 0.000 1.049 47 I CA -0.790 60.371 61.300 -0.231 0.000 1.063 47 I CB 2.437 40.209 38.000 -0.380 0.000 1.248 47 I HN -0.252 nan 8.210 nan 0.000 0.424 48 S N 2.971 118.668 115.700 -0.004 0.000 2.745 48 S HA 0.543 5.013 4.470 0.000 0.000 0.292 48 S C -0.571 174.110 174.600 0.135 0.000 1.127 48 S CA -0.882 57.347 58.200 0.048 0.000 1.007 48 S CB 1.288 64.504 63.200 0.028 0.000 1.165 48 S HN 0.690 nan 8.310 nan 0.000 0.544 49 K N 0.863 121.294 120.400 0.051 0.000 2.292 49 K HA 0.588 4.908 4.320 0.000 0.000 0.257 49 K C -1.288 175.234 176.600 -0.130 0.000 0.940 49 K CA -0.601 55.630 56.287 -0.093 0.000 0.811 49 K CB 0.488 32.883 32.500 -0.175 0.000 1.120 49 K HN 0.526 nan 8.250 nan 0.000 0.428 50 I N 0.220 120.678 120.570 -0.187 0.000 3.436 50 I HA 0.744 4.914 4.170 0.000 0.000 0.300 50 I C 0.274 176.296 176.117 -0.158 0.000 1.131 50 I CA -0.834 60.386 61.300 -0.133 0.000 1.001 50 I CB 1.389 39.337 38.000 -0.087 0.000 1.305 50 I HN 0.606 nan 8.210 nan 0.000 0.494 51 G N -0.612 108.119 108.800 -0.115 0.000 3.209 51 G HA2 0.631 4.591 3.960 0.000 0.000 0.236 51 G HA3 0.631 4.591 3.960 0.000 0.000 0.236 51 G C -2.297 172.544 174.900 -0.098 0.000 1.329 51 G CA -1.026 44.007 45.100 -0.111 0.000 1.015 51 G HN 0.554 nan 8.290 nan 0.000 0.571 52 P HA -0.003 nan 4.420 nan 0.000 0.242 52 P C 0.925 178.172 177.300 -0.089 0.000 1.197 52 P CA 0.751 63.798 63.100 -0.088 0.000 0.765 52 P CB 0.102 31.754 31.700 -0.079 0.000 0.936 53 E N -0.155 119.998 120.200 -0.080 0.000 2.267 53 E HA -0.164 4.186 4.350 0.000 0.000 0.197 53 E C 0.689 177.233 176.600 -0.093 0.000 0.998 53 E CA 0.380 56.734 56.400 -0.076 0.000 0.830 53 E CB -0.812 28.853 29.700 -0.058 0.000 0.751 53 E HN 0.162 nan 8.360 nan 0.000 0.491 54 N N 2.247 120.891 118.700 -0.092 0.000 2.415 54 N HA 0.065 4.805 4.740 0.000 0.000 0.246 54 N C -2.198 173.193 175.510 -0.198 0.000 1.078 54 N CA -2.154 50.838 53.050 -0.097 0.000 0.942 54 N CB 0.934 39.405 38.487 -0.027 0.000 1.140 54 N HN -0.070 nan 8.380 nan 0.000 0.501 55 P HA 0.117 nan 4.420 nan 0.000 0.228 55 P C -1.340 175.397 177.300 -0.939 0.000 1.748 55 P CA 0.206 62.936 63.100 -0.617 0.000 0.909 55 P CB -0.417 30.872 31.700 -0.686 0.000 1.882 56 Y N -0.703 119.513 120.300 -0.139 0.000 2.624 56 Y HA 0.510 5.060 4.550 -0.000 0.000 0.334 56 Y C 0.171 176.020 175.900 -0.085 0.000 1.155 56 Y CA -0.833 57.185 58.100 -0.137 0.000 1.046 56 Y CB 1.507 39.843 38.460 -0.206 0.000 1.316 56 Y HN -0.036 nan 8.280 nan 0.000 0.457 57 N N -1.108 117.658 118.700 0.110 0.000 3.308 57 N HA 0.807 5.547 4.740 0.000 0.000 0.276 57 N C -2.026 173.494 175.510 0.017 0.000 1.533 57 N CA -0.436 52.647 53.050 0.055 0.000 0.878 57 N CB 2.277 40.779 38.487 0.024 0.000 1.566 57 N HN 0.626 nan 8.380 nan 0.000 0.546 58 T N 0.720 115.269 114.554 -0.009 0.000 3.168 58 T HA 0.399 4.750 4.350 0.000 0.000 0.373 58 T C -3.090 171.567 174.700 -0.071 0.000 1.681 58 T CA -0.489 61.549 62.100 -0.103 0.000 1.135 58 T CB 1.996 70.653 68.868 -0.351 0.000 1.477 58 T HN 0.455 nan 8.240 nan 0.000 0.480 59 P HA 0.639 nan 4.420 nan 0.000 0.278 59 P C -1.044 176.153 177.300 -0.172 0.000 1.258 59 P CA -0.567 62.439 63.100 -0.156 0.000 0.811 59 P CB 1.076 32.657 31.700 -0.197 0.000 1.063 60 V N -1.643 118.107 119.914 -0.273 0.000 3.007 60 V HA 0.884 5.004 4.120 0.000 0.000 0.311 60 V C -0.943 175.051 176.094 -0.167 0.000 1.120 60 V CA -0.972 61.212 62.300 -0.194 0.000 0.980 60 V CB 1.610 33.256 31.823 -0.294 0.000 1.033 60 V HN 0.651 nan 8.190 nan 0.000 0.429 61 F N 0.538 120.294 119.950 -0.323 0.000 2.686 61 F HA 1.008 5.536 4.527 0.000 0.000 0.311 61 F C -0.384 175.354 175.800 -0.104 0.000 1.128 61 F CA -1.179 56.668 58.000 -0.254 0.000 0.946 61 F CB 1.047 39.911 39.000 -0.225 0.000 1.336 61 F HN 0.940 nan 8.300 nan 0.000 0.457 62 A N 2.805 125.627 122.820 0.004 0.000 2.292 62 A HA 0.812 5.132 4.320 0.000 0.000 0.319 62 A C -0.617 177.109 177.584 0.235 0.000 1.206 62 A CA -0.646 51.419 52.037 0.045 0.000 0.835 62 A CB 0.266 19.269 19.000 0.004 0.000 1.164 62 A HN 0.638 nan 8.150 nan 0.000 0.505 63 I N 0.331 121.018 120.570 0.195 0.000 2.947 63 I HA 0.618 4.788 4.170 0.000 0.000 0.314 63 I C 0.188 176.378 176.117 0.121 0.000 1.028 63 I CA -0.908 60.495 61.300 0.172 0.000 1.077 63 I CB 1.379 39.407 38.000 0.047 0.000 1.274 63 I HN 0.770 nan 8.210 nan 0.000 0.485 64 K N 2.893 123.240 120.400 -0.089 0.000 2.897 64 K HA 0.210 4.531 4.320 0.000 0.000 0.243 64 K C -0.788 175.669 176.600 -0.237 0.000 1.189 64 K CA -0.490 55.559 56.287 -0.396 0.000 1.032 64 K CB 0.930 32.897 32.500 -0.888 0.000 1.302 64 K HN 0.738 nan 8.250 nan 0.000 0.568 65 K N 1.865 122.160 120.400 -0.175 0.000 2.286 65 K HA 0.096 4.416 4.320 0.000 0.000 0.256 65 K C -0.205 176.301 176.600 -0.157 0.000 0.999 65 K CA -0.510 55.688 56.287 -0.148 0.000 0.908 65 K CB 0.870 33.300 32.500 -0.117 0.000 0.981 65 K HN 0.191 nan 8.250 nan 0.000 0.500 66 K N 0.474 120.785 120.400 -0.148 0.000 2.355 66 K HA -0.139 4.182 4.320 0.000 0.000 0.270 66 K C 0.067 176.599 176.600 -0.113 0.000 1.003 66 K CA 0.738 56.948 56.287 -0.129 0.000 0.957 66 K CB 0.360 32.782 32.500 -0.131 0.000 0.939 66 K HN 0.910 nan 8.250 nan 0.000 0.482 67 D N 0.092 120.436 120.400 -0.094 0.000 2.830 67 D HA -0.204 4.436 4.640 0.000 0.000 0.209 67 D C -0.468 175.787 176.300 -0.075 0.000 1.315 67 D CA 1.587 55.545 54.000 -0.070 0.000 1.965 67 D CB -1.080 39.688 40.800 -0.053 0.000 1.343 67 D HN 0.486 nan 8.370 nan 0.000 0.542 68 S N -0.633 115.012 115.700 -0.091 0.000 2.586 68 S HA 0.506 4.977 4.470 0.000 0.000 0.274 68 S C 0.258 174.764 174.600 -0.157 0.000 1.281 68 S CA 0.656 58.798 58.200 -0.097 0.000 1.035 68 S CB 1.356 64.508 63.200 -0.081 0.000 0.962 68 S HN 0.210 nan 8.310 nan 0.000 0.512 69 T N 5.079 119.543 114.554 -0.150 0.000 3.316 69 T HA 0.319 4.669 4.350 0.000 0.000 0.253 69 T C -0.646 173.923 174.700 -0.218 0.000 0.995 69 T CA -0.446 61.522 62.100 -0.221 0.000 1.031 69 T CB -0.077 68.709 68.868 -0.135 0.000 1.125 69 T HN 0.305 nan 8.240 nan 0.000 0.539 70 K N 1.419 121.689 120.400 -0.216 0.000 2.507 70 K HA 0.216 4.536 4.320 0.000 0.000 0.253 70 K C -0.984 175.545 176.600 -0.119 0.000 0.969 70 K CA -0.548 55.677 56.287 -0.104 0.000 0.908 70 K CB 1.301 33.784 32.500 -0.028 0.000 1.127 70 K HN 0.405 nan 8.250 nan 0.000 0.437 71 W N 3.529 124.823 121.300 -0.010 0.000 2.591 71 W HA 0.072 4.732 4.660 -0.000 0.000 0.330 71 W C 1.061 177.563 176.519 -0.029 0.000 1.435 71 W CA -0.037 57.295 57.345 -0.022 0.000 1.350 71 W CB 0.236 29.681 29.460 -0.025 0.000 1.434 71 W HN 0.130 nan 8.180 nan 0.000 0.553 72 R N 3.319 123.907 120.500 0.145 0.000 2.357 72 R HA 0.190 4.530 4.340 0.000 0.000 0.296 72 R C 0.185 176.505 176.300 0.032 0.000 1.052 72 R CA -0.818 55.329 56.100 0.078 0.000 0.988 72 R CB 1.049 31.369 30.300 0.034 0.000 1.025 72 R HN 0.328 nan 8.270 nan 0.000 0.469 73 K N 3.995 124.399 120.400 0.007 0.000 2.248 73 K HA 0.181 4.501 4.320 0.000 0.000 0.281 73 K C -1.178 175.333 176.600 -0.150 0.000 1.054 73 K CA -0.517 55.718 56.287 -0.087 0.000 0.903 73 K CB 0.694 33.155 32.500 -0.064 0.000 1.077 73 K HN 0.216 nan 8.250 nan 0.000 0.474 74 L N 5.485 126.492 121.223 -0.360 0.000 2.333 74 L HA 0.340 4.680 4.340 0.000 0.000 0.280 74 L C -1.262 175.401 176.870 -0.345 0.000 1.004 74 L CA -0.657 53.947 54.840 -0.392 0.000 0.820 74 L CB 1.927 43.605 42.059 -0.634 0.000 1.247 74 L HN 0.357 nan 8.230 nan 0.000 0.416 75 V N 3.962 123.809 119.914 -0.112 0.000 2.383 75 V HA 0.236 4.356 4.120 0.000 0.000 0.275 75 V C 0.283 176.398 176.094 0.034 0.000 1.036 75 V CA -0.697 61.541 62.300 -0.103 0.000 0.889 75 V CB 1.237 33.020 31.823 -0.067 0.000 0.985 75 V HN 0.651 nan 8.190 nan 0.000 0.459 76 D N 3.914 124.351 120.400 0.063 0.000 2.745 76 D HA 0.044 4.684 4.640 0.000 0.000 0.229 76 D C 0.669 176.975 176.300 0.010 0.000 1.088 76 D CA 0.099 54.208 54.000 0.182 0.000 1.054 76 D CB -0.123 40.852 40.800 0.292 0.000 1.132 76 D HN 0.514 nan 8.370 nan 0.000 0.464 77 F N 0.631 120.649 119.950 0.114 0.000 2.733 77 F HA 0.057 4.584 4.527 -0.000 0.000 0.301 77 F C 2.232 178.103 175.800 0.118 0.000 1.240 77 F CA 0.011 58.071 58.000 0.101 0.000 1.432 77 F CB -0.175 38.891 39.000 0.111 0.000 1.089 77 F HN 0.156 nan 8.300 nan 0.000 0.533 78 R N 0.365 120.974 120.500 0.183 0.000 2.119 78 R HA -0.259 4.081 4.340 0.000 0.000 0.246 78 R C 2.076 178.440 176.300 0.108 0.000 1.146 78 R CA 2.073 58.237 56.100 0.107 0.000 0.962 78 R CB -0.072 30.208 30.300 -0.033 0.000 0.863 78 R HN 0.244 nan 8.270 nan 0.000 0.442 79 E N 0.222 120.476 120.200 0.092 0.000 2.086 79 E HA -0.072 4.278 4.350 0.000 0.000 0.190 79 E C 1.867 178.571 176.600 0.174 0.000 0.975 79 E CA 0.399 56.857 56.400 0.096 0.000 0.813 79 E CB -0.228 29.502 29.700 0.050 0.000 0.768 79 E HN 0.198 nan 8.360 nan 0.000 0.457 80 L N 1.037 122.401 121.223 0.235 0.000 2.079 80 L HA -0.198 4.142 4.340 0.000 0.000 0.210 80 L C 1.086 178.186 176.870 0.384 0.000 1.081 80 L CA 1.833 56.848 54.840 0.292 0.000 0.752 80 L CB -0.882 41.429 42.059 0.421 0.000 0.896 80 L HN 0.187 nan 8.230 nan 0.000 0.433 81 N N 0.722 119.709 118.700 0.478 0.000 2.104 81 N HA -0.209 4.531 4.740 0.000 0.000 0.190 81 N C 1.664 177.560 175.510 0.643 0.000 1.024 81 N CA 1.292 54.741 53.050 0.666 0.000 0.853 81 N CB -0.328 38.440 38.487 0.468 0.000 1.008 81 N HN 0.393 nan 8.380 nan 0.000 0.424 82 K N 0.383 121.024 120.400 0.402 0.000 2.211 82 K HA -0.057 4.264 4.320 0.000 0.000 0.204 82 K C 1.929 178.654 176.600 0.208 0.000 1.047 82 K CA 0.989 57.456 56.287 0.299 0.000 0.935 82 K CB 0.013 32.624 32.500 0.185 0.000 0.728 82 K HN 0.105 nan 8.250 nan 0.000 0.452 83 R N -0.327 120.304 120.500 0.218 0.000 2.100 83 R HA 0.014 4.354 4.340 0.000 0.000 0.220 83 R C 1.597 177.972 176.300 0.124 0.000 1.091 83 R CA 1.074 57.262 56.100 0.147 0.000 0.986 83 R CB -0.162 30.227 30.300 0.148 0.000 0.888 83 R HN -0.042 nan 8.270 nan 0.000 0.444 84 T N 1.821 116.519 114.554 0.239 0.000 3.272 84 T HA -0.026 4.325 4.350 0.000 0.000 0.250 84 T C 1.263 175.772 174.700 -0.320 0.000 1.082 84 T CA 0.083 62.314 62.100 0.218 0.000 0.968 84 T CB 0.051 69.332 68.868 0.688 0.000 1.015 84 T HN 0.406 nan 8.240 nan 0.000 0.563 85 Q N 0.959 120.477 119.800 -0.469 0.000 2.226 85 Q HA -0.170 4.170 4.340 0.000 0.000 0.204 85 Q C 0.998 176.413 176.000 -0.975 0.000 0.975 85 Q CA 1.791 56.829 55.803 -1.275 0.000 0.866 85 Q CB -0.324 28.054 28.738 -0.600 0.000 0.915 85 Q HN 0.290 nan 8.270 nan 0.000 0.440 86 D N 0.222 120.364 120.400 -0.431 0.000 2.144 86 D HA -0.108 4.532 4.640 0.000 0.000 0.199 86 D C 1.281 177.461 176.300 -0.200 0.000 0.984 86 D CA 1.118 54.970 54.000 -0.247 0.000 0.834 86 D CB -0.176 40.559 40.800 -0.108 0.000 0.955 86 D HN 0.325 nan 8.370 nan 0.000 0.465 87 F N 0.763 120.519 119.950 -0.323 0.000 2.074 87 F HA -0.056 4.471 4.527 -0.000 0.000 0.293 87 F C 1.515 177.215 175.800 -0.165 0.000 1.116 87 F CA 1.061 58.946 58.000 -0.191 0.000 1.212 87 F CB -0.511 38.440 39.000 -0.081 0.000 0.998 87 F HN 0.164 nan 8.300 nan 0.000 0.471 88 W N 0.862 122.028 121.300 -0.224 0.000 3.438 88 W HA 0.219 4.879 4.660 -0.001 0.000 0.322 88 W C 0.937 177.325 176.519 -0.217 0.000 1.261 88 W CA 0.496 57.601 57.345 -0.399 0.000 1.788 88 W CB -0.752 28.516 29.460 -0.320 0.000 1.065 88 W HN 0.365 nan 8.180 nan 0.000 0.715 89 E N 0.349 120.477 120.200 -0.120 0.000 2.441 89 E HA -0.048 4.302 4.350 0.000 0.000 0.207 89 E C 1.606 178.175 176.600 -0.053 0.000 0.803 89 E CA 0.355 56.760 56.400 0.008 0.000 1.240 89 E CB 0.192 29.746 29.700 -0.243 0.000 1.233 89 E HN 0.021 nan 8.360 nan 0.000 0.590 90 V N 0.879 120.711 119.914 -0.137 0.000 2.484 90 V HA -0.021 4.099 4.120 0.000 0.000 0.236 90 V C 2.111 178.147 176.094 -0.097 0.000 1.062 90 V CA 1.168 63.414 62.300 -0.091 0.000 1.081 90 V CB -0.363 31.410 31.823 -0.084 0.000 0.751 90 V HN 0.145 nan 8.190 nan 0.000 0.484 91 Q N -0.047 119.671 119.800 -0.137 0.000 2.016 91 Q HA -0.007 4.333 4.340 0.000 0.000 0.200 91 Q C 1.060 176.947 176.000 -0.188 0.000 0.978 91 Q CA 1.096 56.822 55.803 -0.127 0.000 0.833 91 Q CB 0.022 28.712 28.738 -0.080 0.000 0.895 91 Q HN 0.305 nan 8.270 nan 0.000 0.427 92 L N 0.854 121.867 121.223 -0.350 0.000 3.034 92 L HA 0.301 4.641 4.340 0.000 0.000 0.245 92 L C 0.270 177.022 176.870 -0.196 0.000 1.295 92 L CA 0.039 54.683 54.840 -0.327 0.000 1.068 92 L CB -0.243 41.480 42.059 -0.560 0.000 1.426 92 L HN 0.049 nan 8.230 nan 0.000 0.531 93 G N 0.991 109.731 108.800 -0.099 0.000 2.248 93 G HA2 0.176 4.136 3.960 0.000 0.000 0.260 93 G HA3 0.176 4.136 3.960 0.000 0.000 0.260 93 G C 0.299 175.208 174.900 0.015 0.000 1.214 93 G CA -0.321 44.774 45.100 -0.009 0.000 0.979 93 G HN 0.098 nan 8.290 nan 0.000 0.454 94 I N 4.901 125.490 120.570 0.031 0.000 2.483 94 I HA 0.156 4.326 4.170 0.000 0.000 0.291 94 I C -1.464 174.747 176.117 0.157 0.000 1.112 94 I CA -2.987 58.339 61.300 0.042 0.000 1.350 94 I CB 0.123 38.106 38.000 -0.028 0.000 1.419 94 I HN 0.294 nan 8.210 nan 0.000 0.523 95 P HA 0.049 nan 4.420 nan 0.000 0.268 95 P C -0.637 176.881 177.300 0.364 0.000 1.208 95 P CA 0.098 63.319 63.100 0.202 0.000 0.777 95 P CB 0.329 32.098 31.700 0.115 0.000 0.875 96 H N 2.435 121.640 119.070 0.225 0.000 2.481 96 H HA 0.375 4.931 4.556 0.001 0.000 0.333 96 H C -2.211 173.108 175.328 -0.015 0.000 1.066 96 H CA -2.237 53.875 56.048 0.107 0.000 1.209 96 H CB 0.628 30.357 29.762 -0.055 0.000 1.445 96 H HN 0.244 nan 8.280 nan 0.000 0.488 97 P HA 0.125 nan 4.420 nan 0.000 0.275 97 P C 0.437 177.309 177.300 -0.713 0.000 1.276 97 P CA -0.075 62.701 63.100 -0.539 0.000 0.782 97 P CB 1.239 32.745 31.700 -0.324 0.000 0.851 98 A N 4.761 127.377 122.820 -0.341 0.000 1.884 98 A HA -0.145 4.175 4.320 0.000 0.000 0.219 98 A C 2.055 179.535 177.584 -0.173 0.000 1.197 98 A CA 2.012 53.944 52.037 -0.175 0.000 0.637 98 A CB -1.587 17.376 19.000 -0.062 0.000 0.827 98 A HN 0.595 nan 8.150 nan 0.000 0.450 99 G N -1.158 107.547 108.800 -0.160 0.000 3.210 99 G HA2 0.239 4.199 3.960 0.000 0.000 0.220 99 G HA3 0.239 4.199 3.960 0.000 0.000 0.220 99 G C 1.063 175.869 174.900 -0.156 0.000 1.200 99 G CA 0.540 45.562 45.100 -0.131 0.000 0.834 99 G HN 0.438 nan 8.290 nan 0.000 0.524 100 L N 1.051 122.142 121.223 -0.221 0.000 2.093 100 L HA 0.016 4.356 4.340 0.000 0.000 0.208 100 L C 2.817 179.584 176.870 -0.171 0.000 1.085 100 L CA 2.111 56.832 54.840 -0.198 0.000 0.755 100 L CB -0.209 41.686 42.059 -0.272 0.000 0.904 100 L HN 0.387 nan 8.230 nan 0.000 0.435 101 K N -0.589 119.706 120.400 -0.174 0.000 2.217 101 K HA -0.130 4.191 4.320 0.000 0.000 0.202 101 K C 0.872 177.369 176.600 -0.172 0.000 1.051 101 K CA 1.096 57.279 56.287 -0.174 0.000 0.952 101 K CB -0.417 31.973 32.500 -0.183 0.000 0.736 101 K HN 0.240 nan 8.250 nan 0.000 0.453 102 K N 1.587 121.901 120.400 -0.143 0.000 3.216 102 K HA 0.142 4.462 4.320 0.000 0.000 0.277 102 K C -0.713 175.810 176.600 -0.129 0.000 1.246 102 K CA -0.038 56.175 56.287 -0.124 0.000 1.227 102 K CB 0.268 32.712 32.500 -0.093 0.000 1.487 102 K HN -0.046 nan 8.250 nan 0.000 0.341 103 K N 0.022 120.325 120.400 -0.162 0.000 2.395 103 K HA 0.305 4.625 4.320 0.000 0.000 0.245 103 K C 0.288 176.776 176.600 -0.187 0.000 1.017 103 K CA -0.686 55.507 56.287 -0.157 0.000 0.852 103 K CB 1.232 33.645 32.500 -0.146 0.000 1.311 103 K HN -0.183 nan 8.250 nan 0.000 0.452 104 K N -0.037 120.254 120.400 -0.182 0.000 2.374 104 K HA 0.192 4.512 4.320 0.000 0.000 0.196 104 K C -0.700 175.777 176.600 -0.206 0.000 1.023 104 K CA 0.098 56.268 56.287 -0.195 0.000 1.103 104 K CB 0.498 32.887 32.500 -0.186 0.000 0.848 104 K HN 0.649 nan 8.250 nan 0.000 0.528 105 S N -1.166 114.399 115.700 -0.224 0.000 2.606 105 S HA 0.367 4.837 4.470 0.000 0.000 0.290 105 S C -1.027 173.465 174.600 -0.179 0.000 1.103 105 S CA -1.059 57.016 58.200 -0.208 0.000 0.870 105 S CB 1.521 64.496 63.200 -0.374 0.000 1.077 105 S HN -0.166 nan 8.310 nan 0.000 0.448 106 V N 1.718 121.593 119.914 -0.066 0.000 2.925 106 V HA 0.827 4.947 4.120 0.000 0.000 0.311 106 V C -0.481 175.668 176.094 0.091 0.000 1.104 106 V CA -0.506 61.810 62.300 0.028 0.000 0.954 106 V CB 2.480 34.288 31.823 -0.025 0.000 1.022 106 V HN 1.114 nan 8.190 nan 0.000 0.427 107 T N 1.908 116.551 114.554 0.148 0.000 2.893 107 T HA 0.574 4.924 4.350 0.000 0.000 0.291 107 T C -0.596 174.141 174.700 0.062 0.000 1.028 107 T CA -0.563 61.586 62.100 0.082 0.000 0.995 107 T CB 1.930 70.849 68.868 0.084 0.000 1.051 107 T HN 0.374 nan 8.240 nan 0.000 0.470 108 V N 3.963 123.863 119.914 -0.024 0.000 2.408 108 V HA 0.314 4.434 4.120 0.000 0.000 0.267 108 V C -0.322 175.736 176.094 -0.061 0.000 1.047 108 V CA -0.675 61.572 62.300 -0.088 0.000 0.937 108 V CB 0.424 32.232 31.823 -0.025 0.000 0.999 108 V HN 0.605 nan 8.190 nan 0.000 0.472 109 L N 3.908 125.052 121.223 -0.131 0.000 2.329 109 L HA 0.497 4.837 4.340 0.000 0.000 0.279 109 L C -0.089 176.741 176.870 -0.068 0.000 1.014 109 L CA -0.157 54.640 54.840 -0.072 0.000 0.814 109 L CB 1.731 43.746 42.059 -0.074 0.000 1.257 109 L HN 0.622 nan 8.230 nan 0.000 0.424 110 D N 2.480 122.871 120.400 -0.015 0.000 2.494 110 D HA 0.147 4.788 4.640 0.000 0.000 0.217 110 D C 0.531 176.819 176.300 -0.020 0.000 1.153 110 D CA -0.192 53.812 54.000 0.007 0.000 0.954 110 D CB 0.510 41.335 40.800 0.042 0.000 1.034 110 D HN 0.265 nan 8.370 nan 0.000 0.518 111 V N 2.242 122.127 119.914 -0.048 0.000 3.067 111 V HA 0.454 4.574 4.120 0.000 0.000 0.388 111 V C 1.541 177.556 176.094 -0.132 0.000 1.330 111 V CA -0.035 62.191 62.300 -0.124 0.000 1.501 111 V CB 0.126 31.833 31.823 -0.194 0.000 1.382 111 V HN 0.328 nan 8.190 nan 0.000 0.532 112 G N 0.617 109.399 108.800 -0.030 0.000 2.464 112 G HA2 -0.233 3.728 3.960 0.000 0.000 0.214 112 G HA3 -0.233 3.728 3.960 0.000 0.000 0.214 112 G C 1.157 175.959 174.900 -0.163 0.000 1.218 112 G CA 0.920 46.024 45.100 0.007 0.000 0.794 112 G HN 0.536 nan 8.290 nan 0.000 0.542 113 D N 1.147 121.474 120.400 -0.121 0.000 2.389 113 D HA -0.007 4.633 4.640 0.000 0.000 0.221 113 D C 2.383 178.531 176.300 -0.253 0.000 0.974 113 D CA 0.747 54.679 54.000 -0.114 0.000 0.923 113 D CB -0.050 40.834 40.800 0.139 0.000 0.892 113 D HN 0.244 nan 8.370 nan 0.000 0.518 114 A N -0.686 121.897 122.820 -0.395 0.000 2.235 114 A HA -0.076 4.245 4.320 0.000 0.000 0.208 114 A C 0.994 178.050 177.584 -0.879 0.000 1.172 114 A CA 0.246 51.974 52.037 -0.516 0.000 0.786 114 A CB -0.426 18.241 19.000 -0.554 0.000 0.804 114 A HN 0.269 nan 8.150 nan 0.000 0.479 115 Y N -2.313 117.547 120.300 -0.733 0.000 2.478 115 Y HA 0.180 4.731 4.550 0.001 0.000 0.261 115 Y C 0.743 176.440 175.900 -0.337 0.000 1.127 115 Y CA -0.164 57.512 58.100 -0.707 0.000 1.288 115 Y CB -0.019 38.042 38.460 -0.664 0.000 1.084 115 Y HN 0.333 nan 8.280 nan 0.000 0.530 116 F N -0.609 119.393 119.950 0.086 0.000 2.733 116 F HA 0.017 4.544 4.527 0.000 0.000 0.301 116 F C 1.689 177.550 175.800 0.102 0.000 1.240 116 F CA -0.014 58.054 58.000 0.114 0.000 1.432 116 F CB -0.839 38.217 39.000 0.093 0.000 1.089 116 F HN -0.060 nan 8.300 nan 0.000 0.533 117 S N -0.726 115.111 115.700 0.229 0.000 2.338 117 S HA 0.090 4.560 4.470 0.000 0.000 0.197 117 S C 0.786 175.512 174.600 0.211 0.000 0.990 117 S CA -0.076 58.250 58.200 0.211 0.000 0.920 117 S CB -0.115 63.220 63.200 0.225 0.000 0.903 117 S HN -0.097 nan 8.310 nan 0.000 0.542 118 V N 5.448 125.503 119.914 0.234 0.000 2.673 118 V HA 0.147 4.267 4.120 0.000 0.000 0.303 118 V C -2.120 174.096 176.094 0.204 0.000 1.046 118 V CA -0.899 61.525 62.300 0.208 0.000 1.126 118 V CB 0.064 32.028 31.823 0.234 0.000 0.934 118 V HN 0.382 nan 8.190 nan 0.000 0.487 119 P HA 0.380 nan 4.420 nan 0.000 0.292 119 P C -0.603 176.792 177.300 0.159 0.000 1.283 119 P CA -0.611 62.588 63.100 0.165 0.000 0.835 119 P CB 1.391 33.169 31.700 0.129 0.000 1.017 120 L N 1.972 123.304 121.223 0.181 0.000 2.452 120 L HA 0.150 4.491 4.340 0.000 0.000 0.267 120 L C 1.301 178.250 176.870 0.130 0.000 1.188 120 L CA -0.089 54.854 54.840 0.171 0.000 0.821 120 L CB -0.047 42.151 42.059 0.230 0.000 1.102 120 L HN 0.422 nan 8.230 nan 0.000 0.470 121 D N 1.021 121.476 120.400 0.093 0.000 2.419 121 D HA -0.092 4.548 4.640 0.000 0.000 0.236 121 D C 0.911 177.282 176.300 0.119 0.000 1.165 121 D CA 0.186 54.230 54.000 0.075 0.000 0.882 121 D CB 0.923 41.733 40.800 0.017 0.000 1.201 121 D HN 0.391 nan 8.370 nan 0.000 0.443 122 E N 1.627 121.883 120.200 0.093 0.000 2.112 122 E HA -0.105 4.246 4.350 0.000 0.000 0.190 122 E C 1.237 177.898 176.600 0.101 0.000 0.979 122 E CA 0.767 57.222 56.400 0.093 0.000 0.814 122 E CB 0.065 29.807 29.700 0.070 0.000 0.762 122 E HN 0.544 nan 8.360 nan 0.000 0.460 123 D N 0.055 120.513 120.400 0.098 0.000 2.117 123 D HA -0.127 4.513 4.640 0.000 0.000 0.198 123 D C 1.738 178.109 176.300 0.118 0.000 0.982 123 D CA 0.598 54.660 54.000 0.103 0.000 0.828 123 D CB -0.353 40.494 40.800 0.079 0.000 0.967 123 D HN 0.137 nan 8.370 nan 0.000 0.464 124 F N 1.628 121.527 119.950 -0.085 0.000 2.558 124 F HA 0.031 4.557 4.527 -0.000 0.000 0.298 124 F C 2.219 177.967 175.800 -0.086 0.000 1.119 124 F CA 0.492 58.361 58.000 -0.217 0.000 1.451 124 F CB 0.164 38.977 39.000 -0.311 0.000 1.091 124 F HN -0.256 nan 8.300 nan 0.000 0.563 125 R N 0.489 121.062 120.500 0.121 0.000 2.120 125 R HA -0.193 4.147 4.340 0.000 0.000 0.234 125 R C 2.290 178.613 176.300 0.037 0.000 1.123 125 R CA 1.524 57.688 56.100 0.107 0.000 0.975 125 R CB -0.338 30.042 30.300 0.134 0.000 0.866 125 R HN 0.234 nan 8.270 nan 0.000 0.446 126 K N -0.068 120.365 120.400 0.054 0.000 2.074 126 K HA -0.227 4.094 4.320 0.000 0.000 0.209 126 K C 1.494 178.036 176.600 -0.097 0.000 1.048 126 K CA 1.719 58.031 56.287 0.042 0.000 0.926 126 K CB -0.111 32.443 32.500 0.089 0.000 0.713 126 K HN 0.168 nan 8.250 nan 0.000 0.444 127 Y N 0.520 120.477 120.300 -0.571 0.000 2.439 127 Y HA -0.075 4.475 4.550 -0.000 0.000 0.292 127 Y C 1.388 177.046 175.900 -0.403 0.000 1.130 127 Y CA 1.169 58.788 58.100 -0.801 0.000 1.254 127 Y CB -0.393 37.426 38.460 -1.068 0.000 1.000 127 Y HN 0.086 nan 8.280 nan 0.000 0.554 128 T N -0.849 113.644 114.554 -0.102 0.000 3.766 128 T HA 0.734 5.084 4.350 0.000 0.000 0.327 128 T C -0.005 174.857 174.700 0.270 0.000 1.595 128 T CA -0.400 61.789 62.100 0.148 0.000 1.204 128 T CB -0.429 68.532 68.868 0.154 0.000 1.245 128 T HN 0.203 nan 8.240 nan 0.000 0.875 129 A N 2.968 125.906 122.820 0.197 0.000 2.330 129 A HA 0.971 5.291 4.320 0.000 0.000 0.329 129 A C -0.594 177.140 177.584 0.249 0.000 1.135 129 A CA -1.214 50.933 52.037 0.182 0.000 0.817 129 A CB 1.070 20.117 19.000 0.078 0.000 1.269 129 A HN 1.024 nan 8.150 nan 0.000 0.469 130 F N -1.587 118.421 119.950 0.098 0.000 2.654 130 F HA 0.758 5.285 4.527 0.000 0.000 0.308 130 F C -0.615 175.220 175.800 0.058 0.000 1.108 130 F CA -0.612 57.416 58.000 0.046 0.000 0.957 130 F CB 1.284 40.314 39.000 0.051 0.000 1.309 130 F HN 0.422 nan 8.300 nan 0.000 0.446 131 T N 3.383 118.050 114.554 0.189 0.000 2.885 131 T HA 0.674 5.024 4.350 0.000 0.000 0.285 131 T C -0.444 174.350 174.700 0.158 0.000 1.019 131 T CA -0.619 61.522 62.100 0.068 0.000 1.010 131 T CB 1.690 70.559 68.868 0.001 0.000 1.022 131 T HN 0.788 nan 8.240 nan 0.000 0.466 132 I N 0.175 120.817 120.570 0.121 0.000 2.405 132 I HA 0.531 4.701 4.170 0.000 0.000 0.280 132 I C -2.952 173.183 176.117 0.031 0.000 1.027 132 I CA -2.844 58.525 61.300 0.115 0.000 1.161 132 I CB 1.137 39.258 38.000 0.202 0.000 1.300 132 I HN 0.267 nan 8.210 nan 0.000 0.463 133 P HA 0.090 nan 4.420 nan 0.000 0.267 133 P C -0.239 177.050 177.300 -0.018 0.000 1.200 133 P CA 0.016 63.105 63.100 -0.018 0.000 0.772 133 P CB 0.908 32.592 31.700 -0.027 0.000 0.855 134 S N 1.144 116.833 115.700 -0.020 0.000 2.608 134 S HA 0.549 5.019 4.470 0.000 0.000 0.291 134 S C 0.015 174.603 174.600 -0.019 0.000 1.146 134 S CA -0.908 57.280 58.200 -0.020 0.000 1.043 134 S CB -0.117 63.070 63.200 -0.022 0.000 1.037 134 S HN 0.323 nan 8.310 nan 0.000 0.520 135 I N 2.976 123.534 120.570 -0.020 0.000 2.533 135 I HA 0.391 4.561 4.170 0.000 0.000 0.284 135 I C 0.818 176.927 176.117 -0.013 0.000 1.109 135 I CA -0.054 61.236 61.300 -0.017 0.000 1.412 135 I CB -0.036 37.953 38.000 -0.018 0.000 1.396 135 I HN 0.771 nan 8.210 nan 0.000 0.543 136 N N 4.920 123.614 118.700 -0.010 0.000 2.741 136 N HA -0.319 4.421 4.740 0.000 0.000 0.251 136 N C -0.307 175.197 175.510 -0.011 0.000 1.112 136 N CA 1.247 54.291 53.050 -0.009 0.000 0.750 136 N CB -1.430 37.052 38.487 -0.008 0.000 1.119 136 N HN 1.001 nan 8.380 nan 0.000 0.561 137 N N -0.449 118.243 118.700 -0.013 0.000 2.696 137 N HA -0.245 4.495 4.740 0.000 0.000 0.256 137 N C 0.671 176.170 175.510 -0.018 0.000 1.031 137 N CA 1.022 54.063 53.050 -0.016 0.000 0.730 137 N CB -0.677 37.800 38.487 -0.016 0.000 0.894 137 N HN 0.730 nan 8.380 nan 0.000 0.544 138 E N 0.112 120.301 120.200 -0.018 0.000 2.110 138 E HA -0.126 4.224 4.350 0.000 0.000 0.193 138 E C 0.655 177.242 176.600 -0.022 0.000 0.988 138 E CA 1.596 57.985 56.400 -0.018 0.000 0.804 138 E CB 0.311 30.000 29.700 -0.018 0.000 0.745 138 E HN 0.578 nan 8.360 nan 0.000 0.458 139 T N -1.746 112.793 114.554 -0.025 0.000 2.853 139 T HA 0.367 4.717 4.350 0.000 0.000 0.311 139 T C -2.916 171.763 174.700 -0.035 0.000 1.307 139 T CA -1.820 60.261 62.100 -0.031 0.000 1.019 139 T CB 1.731 70.578 68.868 -0.035 0.000 1.264 139 T HN -0.159 nan 8.240 nan 0.000 0.497 140 P HA 0.240 nan 4.420 nan 0.000 0.266 140 P C 0.768 178.034 177.300 -0.056 0.000 1.215 140 P CA 0.192 63.264 63.100 -0.047 0.000 0.763 140 P CB -0.058 31.611 31.700 -0.052 0.000 0.806 141 G N 5.694 114.465 108.800 -0.049 0.000 2.093 141 G HA2 -0.019 3.941 3.960 0.000 0.000 0.250 141 G HA3 -0.019 3.941 3.960 0.000 0.000 0.250 141 G C 0.671 175.518 174.900 -0.088 0.000 1.056 141 G CA -0.489 44.580 45.100 -0.052 0.000 0.916 141 G HN 0.455 nan 8.290 nan 0.000 0.421 142 I N 1.911 122.415 120.570 -0.109 0.000 2.948 142 I HA 0.111 4.281 4.170 0.000 0.000 0.290 142 I C 0.858 176.802 176.117 -0.289 0.000 1.226 142 I CA 0.547 61.714 61.300 -0.221 0.000 1.413 142 I CB 0.156 38.001 38.000 -0.258 0.000 1.352 142 I HN 0.397 nan 8.210 nan 0.000 0.597 143 R N 4.164 124.408 120.500 -0.427 0.000 2.599 143 R HA 0.582 4.922 4.340 0.000 0.000 0.295 143 R C -1.378 174.552 176.300 -0.616 0.000 0.963 143 R CA -0.716 55.140 56.100 -0.406 0.000 0.883 143 R CB 2.206 32.355 30.300 -0.252 0.000 1.171 143 R HN 0.459 nan 8.270 nan 0.000 0.450 144 Y N 0.072 120.023 120.300 -0.582 0.000 2.773 144 Y HA 0.438 4.988 4.550 0.000 0.000 0.323 144 Y C 0.165 175.763 175.900 -0.504 0.000 1.183 144 Y CA -0.699 57.029 58.100 -0.620 0.000 1.144 144 Y CB 1.885 39.810 38.460 -0.892 0.000 1.340 144 Y HN 0.417 nan 8.280 nan 0.000 0.531 145 Q N -0.477 119.287 119.800 -0.060 0.000 2.534 145 Q HA 0.414 4.755 4.340 0.000 0.000 0.290 145 Q C -2.245 173.873 176.000 0.196 0.000 0.991 145 Q CA -0.827 55.042 55.803 0.111 0.000 0.783 145 Q CB 2.104 30.888 28.738 0.075 0.000 1.470 145 Q HN 0.659 nan 8.270 nan 0.000 0.406 146 Y N 1.448 121.867 120.300 0.199 0.000 2.342 146 Y HA 0.288 4.838 4.550 0.001 0.000 0.334 146 Y C 0.303 176.298 175.900 0.159 0.000 1.067 146 Y CA 0.053 58.279 58.100 0.211 0.000 1.128 146 Y CB 1.573 40.190 38.460 0.262 0.000 1.200 146 Y HN 0.735 nan 8.280 nan 0.000 0.464 147 N N 0.493 119.317 118.700 0.207 0.000 2.511 147 N HA 0.063 4.804 4.740 0.000 0.000 0.190 147 N C -0.440 175.209 175.510 0.231 0.000 1.037 147 N CA 0.429 53.584 53.050 0.175 0.000 0.895 147 N CB 0.085 38.629 38.487 0.094 0.000 1.149 147 N HN 0.319 nan 8.380 nan 0.000 0.437 148 V N 0.232 120.309 119.914 0.272 0.000 2.863 148 V HA 0.359 4.480 4.120 0.000 0.000 0.307 148 V C 0.648 177.002 176.094 0.434 0.000 1.061 148 V CA -1.339 61.157 62.300 0.327 0.000 1.024 148 V CB 0.698 32.729 31.823 0.347 0.000 1.049 148 V HN 0.101 nan 8.190 nan 0.000 0.471 149 L N 3.571 125.005 121.223 0.351 0.000 2.667 149 L HA 0.075 4.415 4.340 0.000 0.000 0.296 149 L C -1.746 175.317 176.870 0.323 0.000 1.252 149 L CA -0.431 54.587 54.840 0.296 0.000 0.891 149 L CB 0.063 42.249 42.059 0.212 0.000 1.141 149 L HN 0.595 nan 8.230 nan 0.000 0.501 150 P HA 0.072 nan 4.420 nan 0.000 0.276 150 P C -0.217 177.004 177.300 -0.132 0.000 1.261 150 P CA -0.522 62.538 63.100 -0.068 0.000 0.800 150 P CB 1.047 32.450 31.700 -0.495 0.000 1.066 151 Q N 0.974 120.750 119.800 -0.040 0.000 1.965 151 Q HA -0.055 4.285 4.340 0.000 0.000 0.200 151 Q C 2.232 178.101 176.000 -0.218 0.000 0.981 151 Q CA 2.611 58.349 55.803 -0.109 0.000 0.834 151 Q CB -1.206 27.597 28.738 0.109 0.000 0.900 151 Q HN 0.680 nan 8.270 nan 0.000 0.426 152 G N -0.770 107.981 108.800 -0.082 0.000 2.430 152 G HA2 -0.184 3.777 3.960 0.000 0.000 0.216 152 G HA3 -0.184 3.777 3.960 0.000 0.000 0.216 152 G C -0.099 174.742 174.900 -0.098 0.000 1.146 152 G CA -0.184 44.901 45.100 -0.025 0.000 0.793 152 G HN 0.396 nan 8.290 nan 0.000 0.537 153 W N 2.140 123.135 121.300 -0.508 0.000 2.377 153 W HA 0.097 4.756 4.660 -0.000 0.000 0.341 153 W C 1.008 177.288 176.519 -0.398 0.000 1.240 153 W CA -0.539 56.483 57.345 -0.538 0.000 1.311 153 W CB 0.635 29.684 29.460 -0.685 0.000 1.175 153 W HN -0.020 nan 8.180 nan 0.000 0.571 154 K N 3.403 123.507 120.400 -0.493 0.000 2.505 154 K HA 0.078 4.398 4.320 0.000 0.000 0.192 154 K C 1.662 177.631 176.600 -1.051 0.000 1.025 154 K CA 0.660 56.427 56.287 -0.865 0.000 1.086 154 K CB 0.009 31.810 32.500 -1.165 0.000 0.840 154 K HN 0.672 nan 8.250 nan 0.000 0.514 155 G N -0.290 107.466 108.800 -1.740 0.000 2.833 155 G HA2 -0.067 3.893 3.960 0.000 0.000 0.210 155 G HA3 -0.067 3.893 3.960 0.000 0.000 0.210 155 G C 1.289 175.526 174.900 -1.106 0.000 1.139 155 G CA -0.175 43.958 45.100 -1.611 0.000 0.771 155 G HN 0.080 nan 8.290 nan 0.000 0.535 156 S N 1.778 116.922 115.700 -0.926 0.000 2.359 156 S HA -0.090 4.380 4.470 0.000 0.000 0.222 156 S C -0.011 174.430 174.600 -0.265 0.000 1.038 156 S CA 1.665 59.575 58.200 -0.483 0.000 1.051 156 S CB -0.680 62.078 63.200 -0.736 0.000 0.944 156 S HN 0.406 nan 8.310 nan 0.000 0.433 157 P HA 0.207 nan 4.420 nan 0.000 0.249 157 P C 0.403 177.666 177.300 -0.061 0.000 1.241 157 P CA 0.643 63.766 63.100 0.040 0.000 0.781 157 P CB 0.023 31.713 31.700 -0.017 0.000 1.088 158 A N -0.431 122.273 122.820 -0.193 0.000 2.147 158 A HA 0.099 4.419 4.320 0.000 0.000 0.211 158 A C 2.073 179.569 177.584 -0.146 0.000 1.160 158 A CA 0.396 52.299 52.037 -0.223 0.000 0.781 158 A CB -0.574 18.183 19.000 -0.406 0.000 0.842 158 A HN 0.049 nan 8.150 nan 0.000 0.475 159 I N -2.173 118.381 120.570 -0.027 0.000 2.628 159 I HA 0.009 4.179 4.170 0.000 0.000 0.255 159 I C 2.045 178.230 176.117 0.112 0.000 1.119 159 I CA 0.999 62.348 61.300 0.081 0.000 1.448 159 I CB -0.799 37.290 38.000 0.148 0.000 1.133 159 I HN 0.379 nan 8.210 nan 0.000 0.438 160 F N 2.200 122.148 119.950 -0.002 0.000 2.502 160 F HA -0.127 4.400 4.527 0.000 0.000 0.298 160 F C 2.592 178.352 175.800 -0.066 0.000 1.111 160 F CA 1.010 58.999 58.000 -0.017 0.000 1.445 160 F CB -0.272 38.750 39.000 0.036 0.000 1.081 160 F HN 0.114 nan 8.300 nan 0.000 0.558 161 Q N -0.239 119.579 119.800 0.031 0.000 2.112 161 Q HA -0.230 4.111 4.340 0.000 0.000 0.206 161 Q C 2.114 178.032 176.000 -0.137 0.000 0.987 161 Q CA 2.256 58.026 55.803 -0.054 0.000 0.858 161 Q CB -0.253 28.451 28.738 -0.056 0.000 0.905 161 Q HN 0.373 nan 8.270 nan 0.000 0.420 162 S N 0.121 115.734 115.700 -0.145 0.000 2.368 162 S HA -0.138 4.332 4.470 0.000 0.000 0.224 162 S C 1.953 176.405 174.600 -0.247 0.000 1.029 162 S CA 1.186 59.293 58.200 -0.154 0.000 0.988 162 S CB -0.309 62.825 63.200 -0.109 0.000 0.838 162 S HN 0.506 nan 8.310 nan 0.000 0.462 163 S N 1.081 116.541 115.700 -0.399 0.000 2.355 163 S HA -0.101 4.369 4.470 0.000 0.000 0.222 163 S C 1.948 176.159 174.600 -0.648 0.000 1.031 163 S CA 1.438 59.278 58.200 -0.600 0.000 0.993 163 S CB -0.338 62.282 63.200 -0.965 0.000 0.859 163 S HN 0.369 nan 8.310 nan 0.000 0.453 164 M N 2.036 121.231 119.600 -0.676 0.000 2.213 164 M HA -0.056 4.424 4.480 0.000 0.000 0.263 164 M C 2.069 178.218 176.300 -0.252 0.000 1.062 164 M CA 2.292 57.347 55.300 -0.407 0.000 1.105 164 M CB -0.969 31.537 32.600 -0.157 0.000 1.385 164 M HN 0.573 nan 8.290 nan 0.000 0.417 165 T N -2.476 111.958 114.554 -0.201 0.000 2.821 165 T HA -0.100 4.250 4.350 0.000 0.000 0.267 165 T C 1.814 176.436 174.700 -0.130 0.000 1.046 165 T CA 1.391 63.414 62.100 -0.128 0.000 1.139 165 T CB -0.476 68.338 68.868 -0.091 0.000 0.871 165 T HN 0.458 nan 8.240 nan 0.000 0.454 166 K N 0.585 120.879 120.400 -0.177 0.000 2.288 166 K HA 0.238 4.559 4.320 0.000 0.000 0.201 166 K C 2.097 178.574 176.600 -0.206 0.000 1.048 166 K CA 0.639 56.835 56.287 -0.151 0.000 0.956 166 K CB -0.131 32.276 32.500 -0.155 0.000 0.746 166 K HN 0.404 nan 8.250 nan 0.000 0.461 167 I N 0.623 120.985 120.570 -0.346 0.000 2.617 167 I HA -0.156 4.014 4.170 0.000 0.000 0.256 167 I C 1.432 177.466 176.117 -0.140 0.000 1.167 167 I CA 1.171 62.144 61.300 -0.544 0.000 1.469 167 I CB -0.016 37.547 38.000 -0.727 0.000 1.098 167 I HN 0.132 nan 8.210 nan 0.000 0.436 168 L N 0.163 121.334 121.223 -0.086 0.000 2.769 168 L HA 0.093 4.433 4.340 0.000 0.000 0.240 168 L C 1.955 178.839 176.870 0.024 0.000 1.163 168 L CA -0.122 54.700 54.840 -0.030 0.000 0.962 168 L CB -0.036 41.982 42.059 -0.068 0.000 1.258 168 L HN 0.036 nan 8.230 nan 0.000 0.513 169 E N 1.884 122.114 120.200 0.051 0.000 2.065 169 E HA -0.217 4.133 4.350 0.000 0.000 0.201 169 E C -0.668 175.983 176.600 0.084 0.000 1.016 169 E CA 2.147 58.583 56.400 0.061 0.000 0.818 169 E CB -0.768 28.971 29.700 0.066 0.000 0.749 169 E HN 0.257 nan 8.360 nan 0.000 0.453 170 P HA -0.066 nan 4.420 nan 0.000 0.216 170 P C 0.994 178.313 177.300 0.032 0.000 1.153 170 P CA 1.162 64.336 63.100 0.124 0.000 0.844 170 P CB -0.135 31.734 31.700 0.283 0.000 0.787 171 F N 0.303 120.149 119.950 -0.173 0.000 2.146 171 F HA -0.114 4.413 4.527 0.000 0.000 0.298 171 F C 2.092 177.840 175.800 -0.087 0.000 1.096 171 F CA 1.412 59.315 58.000 -0.162 0.000 1.275 171 F CB -0.302 38.543 39.000 -0.258 0.000 1.008 171 F HN -0.206 nan 8.300 nan 0.000 0.480 172 K N -0.315 120.148 120.400 0.105 0.000 2.155 172 K HA -0.163 4.157 4.320 0.000 0.000 0.203 172 K C 1.843 178.452 176.600 0.014 0.000 1.052 172 K CA 1.131 57.449 56.287 0.052 0.000 0.948 172 K CB -0.124 32.399 32.500 0.038 0.000 0.728 172 K HN -0.015 nan 8.250 nan 0.000 0.448 173 K N 1.462 121.866 120.400 0.007 0.000 2.228 173 K HA -0.109 4.211 4.320 0.000 0.000 0.202 173 K C 1.817 178.399 176.600 -0.029 0.000 1.051 173 K CA 0.984 57.267 56.287 -0.006 0.000 0.960 173 K CB 0.286 32.789 32.500 0.005 0.000 0.743 173 K HN 0.234 nan 8.250 nan 0.000 0.458 174 Q N -0.964 118.799 119.800 -0.062 0.000 2.282 174 Q HA 0.137 4.477 4.340 0.000 0.000 0.206 174 Q C -0.741 175.195 176.000 -0.106 0.000 0.878 174 Q CA 0.081 55.827 55.803 -0.094 0.000 0.944 174 Q CB 0.386 29.040 28.738 -0.139 0.000 1.100 174 Q HN -0.011 nan 8.270 nan 0.000 0.509 175 N N 1.433 120.084 118.700 -0.081 0.000 2.716 175 N HA 0.235 4.975 4.740 0.000 0.000 0.253 175 N C -2.537 172.960 175.510 -0.022 0.000 1.170 175 N CA -1.364 51.652 53.050 -0.057 0.000 0.807 175 N CB 1.884 40.339 38.487 -0.054 0.000 1.183 175 N HN 0.036 nan 8.380 nan 0.000 0.524 176 P HA 0.053 nan 4.420 nan 0.000 0.237 176 P C -0.260 177.031 177.300 -0.014 0.000 1.178 176 P CA 0.791 63.881 63.100 -0.016 0.000 0.766 176 P CB 0.422 32.111 31.700 -0.019 0.000 0.876 177 D N -1.058 119.334 120.400 -0.012 0.000 2.363 177 D HA 0.183 4.823 4.640 0.000 0.000 0.214 177 D C 0.171 176.471 176.300 -0.000 0.000 1.093 177 D CA 0.233 54.226 54.000 -0.012 0.000 0.837 177 D CB 0.078 40.868 40.800 -0.016 0.000 0.948 177 D HN 0.181 nan 8.370 nan 0.000 0.507 178 I N 1.257 121.836 120.570 0.015 0.000 2.448 178 I HA 0.222 4.392 4.170 0.000 0.000 0.281 178 I C -0.533 175.607 176.117 0.040 0.000 1.027 178 I CA -0.791 60.533 61.300 0.041 0.000 1.111 178 I CB 1.870 39.917 38.000 0.078 0.000 1.236 178 I HN -0.322 nan 8.210 nan 0.000 0.452 179 V N 6.663 126.593 119.914 0.027 0.000 2.863 179 V HA 0.532 4.652 4.120 0.000 0.000 0.307 179 V C -0.068 176.063 176.094 0.061 0.000 1.061 179 V CA -0.549 61.766 62.300 0.025 0.000 1.024 179 V CB 1.830 33.643 31.823 -0.017 0.000 1.049 179 V HN 0.600 nan 8.190 nan 0.000 0.471 180 I N 0.831 121.451 120.570 0.083 0.000 2.865 180 I HA 0.696 4.867 4.170 0.000 0.000 0.302 180 I C -1.343 174.907 176.117 0.222 0.000 1.140 180 I CA -1.129 60.251 61.300 0.133 0.000 1.021 180 I CB 1.996 40.049 38.000 0.089 0.000 1.233 180 I HN 0.511 nan 8.210 nan 0.000 0.427 181 Y N 2.880 123.255 120.300 0.126 0.000 2.361 181 Y HA 0.496 5.046 4.550 0.000 0.000 0.328 181 Y C -0.986 175.059 175.900 0.241 0.000 1.044 181 Y CA -0.496 57.706 58.100 0.169 0.000 1.085 181 Y CB 1.821 40.382 38.460 0.168 0.000 1.194 181 Y HN 0.828 nan 8.280 nan 0.000 0.438 182 Q N 5.541 125.167 119.800 -0.290 0.000 2.303 182 Q HA 0.292 4.632 4.340 0.000 0.000 0.257 182 Q C -2.067 173.759 176.000 -0.291 0.000 0.941 182 Q CA -0.671 55.013 55.803 -0.199 0.000 0.931 182 Q CB 1.056 29.724 28.738 -0.117 0.000 1.215 182 Q HN 0.778 nan 8.270 nan 0.000 0.437 183 Y N 5.363 125.534 120.300 -0.215 0.000 2.346 183 Y HA 0.233 4.783 4.550 -0.000 0.000 0.332 183 Y C 0.392 176.233 175.900 -0.099 0.000 0.985 183 Y CA -0.330 57.681 58.100 -0.148 0.000 1.112 183 Y CB 0.865 39.368 38.460 0.073 0.000 1.170 183 Y HN 0.984 nan 8.280 nan 0.000 0.447 184 M N 1.300 120.580 119.600 -0.534 0.000 7.319 184 M HA -0.377 4.104 4.480 0.000 0.000 0.303 184 M C -0.631 175.539 176.300 -0.216 0.000 0.480 184 M CA 2.412 57.460 55.300 -0.420 0.000 1.311 184 M CB -0.769 31.656 32.600 -0.292 0.000 0.421 184 M HN 0.710 nan 8.290 nan 0.000 0.657 185 D N 2.043 122.408 120.400 -0.058 0.000 2.795 185 D HA 0.507 5.147 4.640 0.000 0.000 0.335 185 D C -1.523 174.832 176.300 0.091 0.000 1.262 185 D CA -0.083 53.953 54.000 0.061 0.000 0.885 185 D CB -0.052 40.762 40.800 0.023 0.000 1.047 185 D HN 0.450 nan 8.370 nan 0.000 0.500 186 D N 0.147 120.556 120.400 0.015 0.000 2.633 186 D HA 0.118 4.759 4.640 0.000 0.000 0.198 186 D C -0.921 175.214 176.300 -0.276 0.000 1.273 186 D CA -0.645 53.287 54.000 -0.112 0.000 0.830 186 D CB 1.000 41.726 40.800 -0.123 0.000 1.771 186 D HN -0.055 nan 8.370 nan 0.000 0.547 187 L N 1.451 122.530 121.223 -0.239 0.000 2.453 187 L HA 0.470 4.810 4.340 0.000 0.000 0.261 187 L C -1.042 175.634 176.870 -0.323 0.000 1.179 187 L CA -0.033 54.689 54.840 -0.197 0.000 0.813 187 L CB 0.257 42.256 42.059 -0.101 0.000 1.110 187 L HN 0.567 nan 8.230 nan 0.000 0.466 188 Y N 3.069 123.400 120.300 0.052 0.000 2.594 188 Y HA 0.415 4.965 4.550 0.000 0.000 0.338 188 Y C -0.556 175.384 175.900 0.067 0.000 1.019 188 Y CA -0.924 57.218 58.100 0.070 0.000 1.306 188 Y CB 1.527 40.072 38.460 0.141 0.000 1.094 188 Y HN 0.183 nan 8.280 nan 0.000 0.534 189 V N 2.691 122.715 119.914 0.183 0.000 2.350 189 V HA 0.686 4.806 4.120 0.000 0.000 0.276 189 V C 0.356 176.548 176.094 0.163 0.000 1.028 189 V CA -0.557 61.827 62.300 0.139 0.000 0.860 189 V CB 1.246 33.119 31.823 0.082 0.000 0.990 189 V HN 0.801 nan 8.190 nan 0.000 0.453 190 G N 3.044 111.919 108.800 0.125 0.000 2.609 190 G HA2 0.641 4.601 3.960 0.000 0.000 0.308 190 G HA3 0.641 4.601 3.960 0.000 0.000 0.308 190 G C -0.181 174.754 174.900 0.058 0.000 1.369 190 G CA -0.090 45.056 45.100 0.078 0.000 0.958 190 G HN 0.807 nan 8.290 nan 0.000 0.499 191 S N 0.720 116.441 115.700 0.035 0.000 2.618 191 S HA 0.590 5.060 4.470 0.000 0.000 0.284 191 S C 0.163 174.711 174.600 -0.087 0.000 1.102 191 S CA -0.328 57.881 58.200 0.016 0.000 0.984 191 S CB 2.363 65.656 63.200 0.154 0.000 1.280 191 S HN 0.417 nan 8.310 nan 0.000 0.525 192 D N -1.719 118.635 120.400 -0.076 0.000 2.318 192 D HA 0.256 4.896 4.640 0.000 0.000 0.294 192 D C 0.261 176.503 176.300 -0.097 0.000 1.091 192 D CA 0.006 53.949 54.000 -0.096 0.000 0.883 192 D CB 0.429 41.190 40.800 -0.065 0.000 1.545 192 D HN 0.222 nan 8.370 nan 0.000 0.513 193 L N 1.885 123.072 121.223 -0.060 0.000 2.482 193 L HA 0.197 4.537 4.340 0.000 0.000 0.242 193 L C 1.056 177.892 176.870 -0.056 0.000 1.210 193 L CA 0.115 54.928 54.840 -0.043 0.000 0.819 193 L CB 0.109 42.165 42.059 -0.005 0.000 1.203 193 L HN 0.077 nan 8.230 nan 0.000 0.495 194 E N 0.165 120.345 120.200 -0.034 0.000 2.521 194 E HA -0.181 4.169 4.350 0.000 0.000 0.270 194 E C 0.981 177.584 176.600 0.006 0.000 1.082 194 E CA 0.685 57.067 56.400 -0.031 0.000 0.997 194 E CB 0.214 29.906 29.700 -0.014 0.000 0.990 194 E HN 0.461 nan 8.360 nan 0.000 0.458 195 I N 2.393 122.960 120.570 -0.004 0.000 2.353 195 I HA -0.028 4.143 4.170 0.000 0.000 0.248 195 I C 1.625 177.805 176.117 0.106 0.000 1.119 195 I CA 1.659 62.996 61.300 0.061 0.000 1.417 195 I CB -0.289 37.719 38.000 0.014 0.000 1.078 195 I HN 0.676 nan 8.210 nan 0.000 0.421 196 G N -0.321 108.513 108.800 0.056 0.000 2.448 196 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 196 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 196 G C 1.341 176.272 174.900 0.052 0.000 1.135 196 G CA 0.243 45.371 45.100 0.047 0.000 0.784 196 G HN 0.491 nan 8.290 nan 0.000 0.543 197 Q N -1.132 118.706 119.800 0.063 0.000 2.204 197 Q HA 0.198 4.539 4.340 0.000 0.000 0.209 197 Q C 1.265 177.328 176.000 0.105 0.000 0.861 197 Q CA -0.060 55.778 55.803 0.059 0.000 0.971 197 Q CB 0.481 29.243 28.738 0.039 0.000 1.095 197 Q HN 0.733 nan 8.270 nan 0.000 0.486 198 H N -0.515 118.563 119.070 0.013 0.000 2.326 198 H HA 0.224 4.780 4.556 0.000 0.000 0.272 198 H C 1.524 176.872 175.328 0.033 0.000 0.949 198 H CA 0.425 56.486 56.048 0.021 0.000 1.175 198 H CB 0.444 30.211 29.762 0.009 0.000 1.462 198 H HN -0.092 nan 8.280 nan 0.000 0.514 199 R N 0.158 120.614 120.500 -0.074 0.000 2.261 199 R HA -0.094 4.246 4.340 0.000 0.000 0.236 199 R C 1.722 177.970 176.300 -0.087 0.000 1.141 199 R CA 1.728 57.755 56.100 -0.122 0.000 1.001 199 R CB -0.216 30.095 30.300 0.017 0.000 0.866 199 R HN 0.609 nan 8.270 nan 0.000 0.468 200 T N -1.730 112.800 114.554 -0.040 0.000 3.035 200 T HA 0.067 4.417 4.350 0.000 0.000 0.259 200 T C 1.709 176.411 174.700 0.003 0.000 1.078 200 T CA 0.240 62.337 62.100 -0.006 0.000 1.132 200 T CB 0.157 69.035 68.868 0.017 0.000 0.900 200 T HN -0.067 nan 8.240 nan 0.000 0.480 201 K N 0.960 121.351 120.400 -0.016 0.000 2.288 201 K HA 0.232 4.552 4.320 0.000 0.000 0.201 201 K C 2.061 178.678 176.600 0.029 0.000 1.048 201 K CA 0.511 56.829 56.287 0.052 0.000 0.956 201 K CB -0.349 32.186 32.500 0.059 0.000 0.746 201 K HN 0.484 nan 8.250 nan 0.000 0.461 202 I N 1.101 121.609 120.570 -0.104 0.000 2.162 202 I HA -0.203 3.967 4.170 0.000 0.000 0.238 202 I C 1.977 178.060 176.117 -0.057 0.000 1.076 202 I CA 0.957 62.189 61.300 -0.113 0.000 1.353 202 I CB -0.167 37.726 38.000 -0.179 0.000 1.063 202 I HN 0.038 nan 8.210 nan 0.000 0.408 203 E N 0.662 120.842 120.200 -0.033 0.000 2.267 203 E HA -0.280 4.070 4.350 0.000 0.000 0.197 203 E C 1.819 178.429 176.600 0.016 0.000 0.998 203 E CA 1.046 57.442 56.400 -0.007 0.000 0.830 203 E CB -0.262 29.441 29.700 0.004 0.000 0.751 203 E HN 0.584 nan 8.360 nan 0.000 0.491 204 E N 0.343 120.573 120.200 0.049 0.000 2.230 204 E HA -0.033 4.317 4.350 0.000 0.000 0.192 204 E C 2.025 178.662 176.600 0.062 0.000 0.987 204 E CA 0.022 56.505 56.400 0.137 0.000 0.841 204 E CB 0.140 29.992 29.700 0.252 0.000 0.783 204 E HN 0.155 nan 8.360 nan 0.000 0.481 205 L N 0.383 121.525 121.223 -0.134 0.000 2.341 205 L HA 0.065 4.405 4.340 0.000 0.000 0.214 205 L C 2.459 179.186 176.870 -0.239 0.000 1.115 205 L CA 0.378 54.906 54.840 -0.520 0.000 0.820 205 L CB 0.034 41.816 42.059 -0.462 0.000 0.944 205 L HN -0.009 nan 8.230 nan 0.000 0.452 206 R N -0.681 119.760 120.500 -0.098 0.000 2.090 206 R HA -0.129 4.211 4.340 0.000 0.000 0.228 206 R C 2.217 178.520 176.300 0.005 0.000 1.110 206 R CA 1.279 57.357 56.100 -0.037 0.000 0.973 206 R CB -0.033 30.255 30.300 -0.019 0.000 0.869 206 R HN 0.375 nan 8.270 nan 0.000 0.440 207 Q N -0.906 118.905 119.800 0.019 0.000 2.083 207 Q HA -0.196 4.144 4.340 0.000 0.000 0.198 207 Q C 1.946 177.984 176.000 0.063 0.000 0.969 207 Q CA 1.776 57.602 55.803 0.039 0.000 0.838 207 Q CB -0.531 28.238 28.738 0.052 0.000 0.900 207 Q HN 0.578 nan 8.270 nan 0.000 0.436 208 H N 1.205 120.267 119.070 -0.014 0.000 2.289 208 H HA -0.100 4.456 4.556 0.000 0.000 0.296 208 H C 2.070 177.552 175.328 0.257 0.000 1.091 208 H CA 1.887 57.976 56.048 0.069 0.000 1.274 208 H CB -0.105 29.584 29.762 -0.121 0.000 1.364 208 H HN 0.094 nan 8.280 nan 0.000 0.490 209 L N -0.539 120.851 121.223 0.278 0.000 2.093 209 L HA -0.102 4.238 4.340 0.000 0.000 0.208 209 L C 2.415 179.466 176.870 0.302 0.000 1.085 209 L CA 0.622 55.652 54.840 0.316 0.000 0.755 209 L CB -0.323 41.801 42.059 0.109 0.000 0.904 209 L HN 0.289 nan 8.230 nan 0.000 0.435 210 L N -0.014 121.287 121.223 0.131 0.000 2.261 210 L HA -0.168 4.172 4.340 0.000 0.000 0.216 210 L C 2.710 179.591 176.870 0.018 0.000 1.114 210 L CA 1.469 56.350 54.840 0.068 0.000 0.777 210 L CB -0.465 41.609 42.059 0.025 0.000 0.910 210 L HN 0.116 nan 8.230 nan 0.000 0.440 211 R N -0.949 119.500 120.500 -0.084 0.000 2.096 211 R HA -0.161 4.180 4.340 0.000 0.000 0.235 211 R C 0.420 176.515 176.300 -0.341 0.000 1.127 211 R CA 1.784 57.661 56.100 -0.372 0.000 0.968 211 R CB -0.433 29.388 30.300 -0.798 0.000 0.861 211 R HN 0.522 nan 8.270 nan 0.000 0.440 212 W N 0.168 121.432 121.300 -0.061 0.000 2.637 212 W HA 0.487 5.148 4.660 0.001 0.000 0.420 212 W C 0.454 176.968 176.519 -0.008 0.000 0.766 212 W CA -0.932 56.394 57.345 -0.032 0.000 2.499 212 W CB -0.636 28.803 29.460 -0.034 0.000 1.395 212 W HN 0.147 nan 8.180 nan 0.000 0.802 213 G N 1.353 110.261 108.800 0.180 0.000 2.256 213 G HA2 -0.219 3.741 3.960 0.000 0.000 0.272 213 G HA3 -0.219 3.741 3.960 0.000 0.000 0.272 213 G C -0.899 174.061 174.900 0.100 0.000 1.076 213 G CA -0.382 44.792 45.100 0.123 0.000 0.882 213 G HN 0.214 nan 8.290 nan 0.000 0.497 214 L N 1.004 122.284 121.223 0.096 0.000 2.345 214 L HA 0.601 4.941 4.340 0.000 0.000 0.274 214 L C 0.163 177.056 176.870 0.038 0.000 0.999 214 L CA -0.313 54.556 54.840 0.049 0.000 0.849 214 L CB 1.974 44.052 42.059 0.033 0.000 1.220 214 L HN 0.167 nan 8.230 nan 0.000 0.422 215 T N -0.149 114.424 114.554 0.032 0.000 3.150 215 T HA 0.493 4.843 4.350 0.000 0.000 0.383 215 T C -0.064 174.650 174.700 0.023 0.000 1.313 215 T CA -0.517 61.599 62.100 0.026 0.000 1.235 215 T CB 0.614 69.499 68.868 0.027 0.000 1.088 215 T HN 0.342 nan 8.240 nan 0.000 0.556 216 T N 5.057 119.621 114.554 0.016 0.000 3.078 216 T HA 0.414 4.764 4.350 0.000 0.000 0.328 216 T C -2.196 172.513 174.700 0.015 0.000 0.987 216 T CA -0.967 61.144 62.100 0.017 0.000 1.049 216 T CB 1.400 70.279 68.868 0.018 0.000 1.011 216 T HN 0.330 nan 8.240 nan 0.000 0.463 232 Y N 0.911 121.246 120.300 0.059 0.000 2.562 232 Y HA 0.792 5.342 4.550 -0.000 0.000 0.343 232 Y C 0.162 176.114 175.900 0.086 0.000 1.025 232 Y CA -1.166 56.973 58.100 0.065 0.000 1.082 232 Y CB 1.437 39.930 38.460 0.055 0.000 1.264 232 Y HN 0.598 nan 8.280 nan 0.000 0.478 233 E N 3.611 123.859 120.200 0.081 0.000 2.383 233 E HA 0.385 4.735 4.350 0.000 0.000 0.264 233 E C -1.255 175.254 176.600 -0.151 0.000 1.050 233 E CA -0.486 55.925 56.400 0.019 0.000 0.896 233 E CB 1.723 31.517 29.700 0.158 0.000 0.982 233 E HN 0.863 nan 8.360 nan 0.000 0.424 234 L N -0.386 120.701 121.223 -0.227 0.000 2.751 234 L HA 0.370 4.711 4.340 0.000 0.000 0.261 234 L C -1.487 175.119 176.870 -0.441 0.000 0.927 234 L CA -0.755 53.838 54.840 -0.412 0.000 0.968 234 L CB 1.546 43.476 42.059 -0.216 0.000 1.432 234 L HN 0.526 nan 8.230 nan 0.000 0.439 235 H N 1.508 120.414 119.070 -0.272 0.000 2.551 235 H HA 0.456 5.012 4.556 0.000 0.000 0.321 235 H C -2.555 172.230 175.328 -0.905 0.000 1.028 235 H CA -2.390 53.389 56.048 -0.448 0.000 1.215 235 H CB 1.642 31.216 29.762 -0.313 0.000 1.414 235 H HN 0.445 nan 8.280 nan 0.000 0.480 236 P HA -0.123 nan 4.420 nan 0.000 0.225 236 P C 1.045 177.849 177.300 -0.827 0.000 1.148 236 P CA 1.087 63.265 63.100 -1.537 0.000 0.779 236 P CB 0.380 31.589 31.700 -0.818 0.000 0.780 237 D N -0.765 119.341 120.400 -0.490 0.000 2.277 237 D HA -0.115 4.525 4.640 0.000 0.000 0.208 237 D C 1.852 178.046 176.300 -0.177 0.000 0.962 237 D CA 0.771 54.621 54.000 -0.249 0.000 0.865 237 D CB -0.137 40.557 40.800 -0.178 0.000 0.939 237 D HN -0.157 nan 8.370 nan 0.000 0.510 238 K N -0.292 119.956 120.400 -0.252 0.000 2.283 238 K HA -0.042 4.278 4.320 0.000 0.000 0.202 238 K C -0.268 176.398 176.600 0.110 0.000 1.048 238 K CA 0.309 56.561 56.287 -0.058 0.000 0.948 238 K CB -0.091 32.413 32.500 0.007 0.000 0.742 238 K HN 0.062 nan 8.250 nan 0.000 0.458 239 W N 2.525 123.836 121.300 0.018 0.000 2.388 239 W HA 0.242 4.902 4.660 0.001 0.000 0.308 239 W C -0.198 176.326 176.519 0.010 0.000 1.263 239 W CA -0.668 56.686 57.345 0.015 0.000 1.286 239 W CB -0.749 28.712 29.460 0.002 0.000 1.294 239 W HN -0.021 nan 8.180 nan 0.000 0.493 240 T N -0.838 113.850 114.554 0.224 0.000 2.907 240 T HA 0.612 4.962 4.350 0.000 0.000 0.292 240 T C -0.170 174.591 174.700 0.102 0.000 1.043 240 T CA -0.964 61.215 62.100 0.133 0.000 1.003 240 T CB 1.778 70.702 68.868 0.094 0.000 1.084 240 T HN 0.259 nan 8.240 nan 0.000 0.483 241 V N 0.196 120.158 119.914 0.079 0.000 2.686 241 V HA 0.559 4.679 4.120 0.000 0.000 0.295 241 V C -0.515 175.611 176.094 0.053 0.000 1.055 241 V CA -0.522 61.813 62.300 0.058 0.000 1.050 241 V CB 0.430 32.291 31.823 0.064 0.000 0.984 241 V HN 0.879 nan 8.190 nan 0.000 0.482 242 Q N 5.864 125.688 119.800 0.039 0.000 2.523 242 Q HA 0.461 4.801 4.340 0.000 0.000 0.251 242 Q C -1.963 174.087 176.000 0.082 0.000 1.033 242 Q CA -1.364 54.470 55.803 0.052 0.000 0.746 242 Q CB 1.716 30.475 28.738 0.035 0.000 1.189 242 Q HN 0.802 nan 8.270 nan 0.000 0.508 243 P HA 0.101 nan 4.420 nan 0.000 0.323 243 P C -0.520 176.881 177.300 0.168 0.000 1.435 243 P CA -0.040 63.148 63.100 0.146 0.000 0.853 243 P CB 0.791 32.564 31.700 0.122 0.000 2.066 244 I N -0.682 119.973 120.570 0.141 0.000 2.436 244 I HA 0.248 4.418 4.170 0.000 0.000 0.289 244 I C -0.134 176.028 176.117 0.075 0.000 1.010 244 I CA -0.920 60.453 61.300 0.122 0.000 1.098 244 I CB 2.073 40.137 38.000 0.107 0.000 1.266 244 I HN -0.084 nan 8.210 nan 0.000 0.434 245 V N 7.917 127.877 119.914 0.076 0.000 2.364 245 V HA 0.421 4.541 4.120 0.000 0.000 0.272 245 V C -0.198 175.932 176.094 0.060 0.000 1.036 245 V CA -0.429 61.907 62.300 0.061 0.000 0.880 245 V CB 1.008 32.868 31.823 0.062 0.000 0.991 245 V HN 0.523 nan 8.190 nan 0.000 0.460 246 L N 10.656 131.911 121.223 0.053 0.000 2.312 246 L HA 0.395 4.735 4.340 0.000 0.000 0.287 246 L C -1.571 175.361 176.870 0.103 0.000 1.091 246 L CA -1.571 53.303 54.840 0.058 0.000 0.846 246 L CB 0.826 42.902 42.059 0.029 0.000 1.219 246 L HN 0.563 nan 8.230 nan 0.000 0.439 247 P HA -0.083 nan 4.420 nan 0.000 0.267 247 P C -0.687 176.792 177.300 0.299 0.000 1.195 247 P CA 0.027 63.241 63.100 0.190 0.000 0.773 247 P CB 0.950 32.776 31.700 0.211 0.000 0.837 248 E N 1.406 121.726 120.200 0.200 0.000 2.246 248 E HA 0.457 4.807 4.350 0.000 0.000 0.266 248 E C -1.136 175.412 176.600 -0.087 0.000 0.880 248 E CA -0.641 55.863 56.400 0.173 0.000 0.762 248 E CB 1.275 31.040 29.700 0.109 0.000 1.180 248 E HN 0.269 nan 8.360 nan 0.000 0.416 249 K N 2.872 123.005 120.400 -0.446 0.000 2.480 249 K HA 0.361 4.681 4.320 0.000 0.000 0.258 249 K C -0.278 175.871 176.600 -0.751 0.000 0.990 249 K CA -0.833 55.045 56.287 -0.681 0.000 0.857 249 K CB 1.427 33.367 32.500 -0.933 0.000 1.384 249 K HN 0.401 nan 8.250 nan 0.000 0.446 250 D N 0.374 120.476 120.400 -0.496 0.000 2.149 250 D HA -0.081 4.559 4.640 0.000 0.000 0.206 250 D C 0.419 176.479 176.300 -0.399 0.000 0.967 250 D CA 1.226 55.016 54.000 -0.349 0.000 0.848 250 D CB 0.133 40.813 40.800 -0.199 0.000 0.998 250 D HN 0.482 nan 8.370 nan 0.000 0.474 251 S N -0.057 115.406 115.700 -0.395 0.000 2.410 251 S HA 0.289 4.760 4.470 0.000 0.000 0.304 251 S C -0.670 173.776 174.600 -0.257 0.000 1.095 251 S CA -0.824 57.229 58.200 -0.246 0.000 1.089 251 S CB -0.078 63.042 63.200 -0.133 0.000 0.968 251 S HN 0.163 nan 8.310 nan 0.000 0.480 252 W N 3.543 124.843 121.300 0.000 0.000 2.295 252 W HA 0.307 4.968 4.660 0.002 0.000 0.333 252 W C 0.817 177.337 176.519 0.001 0.000 0.990 252 W CA -0.935 56.410 57.345 0.001 0.000 1.453 252 W CB 1.045 30.505 29.460 0.001 0.000 1.263 252 W HN 0.773 nan 8.180 nan 0.000 0.380 253 T N -1.638 113.098 114.554 0.304 0.000 2.828 253 T HA 0.092 4.442 4.350 0.000 0.000 0.290 253 T C 1.062 175.846 174.700 0.139 0.000 1.019 253 T CA -0.781 61.420 62.100 0.168 0.000 1.031 253 T CB 1.628 70.565 68.868 0.115 0.000 1.001 253 T HN 0.150 nan 8.240 nan 0.000 0.531 254 V N 1.783 121.746 119.914 0.081 0.000 2.332 254 V HA -0.237 3.883 4.120 0.000 0.000 0.248 254 V C 2.872 178.989 176.094 0.039 0.000 1.055 254 V CA 2.317 64.645 62.300 0.046 0.000 1.038 254 V CB -1.294 30.548 31.823 0.031 0.000 0.651 254 V HN 1.052 nan 8.190 nan 0.000 0.450 255 N N 0.023 118.754 118.700 0.052 0.000 2.094 255 N HA -0.257 4.483 4.740 0.000 0.000 0.191 255 N C 1.532 177.074 175.510 0.053 0.000 1.023 255 N CA 1.794 54.872 53.050 0.046 0.000 0.857 255 N CB -0.100 38.417 38.487 0.051 0.000 1.013 255 N HN 0.521 nan 8.380 nan 0.000 0.426 256 D N 0.634 121.092 120.400 0.097 0.000 2.183 256 D HA -0.060 4.580 4.640 0.000 0.000 0.203 256 D C 1.942 178.223 176.300 -0.032 0.000 0.969 256 D CA 0.605 54.676 54.000 0.118 0.000 0.842 256 D CB 0.061 41.077 40.800 0.360 0.000 0.957 256 D HN 0.468 nan 8.370 nan 0.000 0.484 257 I N 0.907 121.437 120.570 -0.068 0.000 2.761 257 I HA -0.146 4.024 4.170 0.000 0.000 0.261 257 I C 2.234 178.293 176.117 -0.096 0.000 1.198 257 I CA 0.516 61.716 61.300 -0.167 0.000 1.482 257 I CB -0.191 37.723 38.000 -0.144 0.000 1.100 257 I HN -0.073 nan 8.210 nan 0.000 0.445 258 Q N 1.676 121.452 119.800 -0.040 0.000 1.965 258 Q HA -0.144 4.196 4.340 0.000 0.000 0.200 258 Q C 2.179 178.173 176.000 -0.009 0.000 0.981 258 Q CA 1.500 57.292 55.803 -0.018 0.000 0.834 258 Q CB -0.358 28.381 28.738 0.003 0.000 0.900 258 Q HN 0.474 nan 8.270 nan 0.000 0.426 259 K N 0.734 121.135 120.400 0.002 0.000 2.032 259 K HA -0.112 4.208 4.320 0.000 0.000 0.209 259 K C 2.227 178.833 176.600 0.010 0.000 1.048 259 K CA 0.846 57.144 56.287 0.019 0.000 0.927 259 K CB -0.368 32.145 32.500 0.023 0.000 0.712 259 K HN 0.098 nan 8.250 nan 0.000 0.441 260 L N 1.110 122.306 121.223 -0.045 0.000 2.261 260 L HA -0.181 4.160 4.340 0.000 0.000 0.216 260 L C 1.912 178.747 176.870 -0.058 0.000 1.114 260 L CA 0.835 55.626 54.840 -0.081 0.000 0.777 260 L CB 0.070 41.994 42.059 -0.224 0.000 0.910 260 L HN -0.027 nan 8.230 nan 0.000 0.440 261 V N -0.816 119.068 119.914 -0.049 0.000 2.649 261 V HA -0.054 4.066 4.120 0.000 0.000 0.248 261 V C 2.538 178.637 176.094 0.009 0.000 1.054 261 V CA 1.350 63.627 62.300 -0.038 0.000 1.073 261 V CB -0.701 31.093 31.823 -0.049 0.000 0.699 261 V HN 0.587 nan 8.190 nan 0.000 0.463 262 G N 0.536 109.366 108.800 0.050 0.000 2.459 262 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 262 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 262 G C 1.627 176.685 174.900 0.264 0.000 1.183 262 G CA 0.988 46.169 45.100 0.135 0.000 0.776 262 G HN 0.480 nan 8.290 nan 0.000 0.552 263 K N -0.268 120.273 120.400 0.235 0.000 2.057 263 K HA 0.083 4.403 4.320 0.000 0.000 0.207 263 K C 2.352 179.069 176.600 0.195 0.000 1.049 263 K CA 0.655 57.110 56.287 0.280 0.000 0.931 263 K CB -0.268 32.324 32.500 0.152 0.000 0.714 263 K HN 0.245 nan 8.250 nan 0.000 0.440 264 L N 1.348 122.624 121.223 0.088 0.000 2.551 264 L HA -0.105 4.236 4.340 0.000 0.000 0.228 264 L C 1.758 178.634 176.870 0.009 0.000 1.153 264 L CA 0.616 55.475 54.840 0.032 0.000 0.851 264 L CB -0.111 41.936 42.059 -0.019 0.000 0.959 264 L HN 0.186 nan 8.230 nan 0.000 0.451 265 N N -1.307 117.396 118.700 0.007 0.000 2.336 265 N HA -0.144 4.596 4.740 0.000 0.000 0.177 265 N C 1.575 176.977 175.510 -0.181 0.000 1.018 265 N CA 0.976 53.957 53.050 -0.114 0.000 0.878 265 N CB -0.197 38.181 38.487 -0.182 0.000 0.997 265 N HN 0.244 nan 8.380 nan 0.000 0.433 266 W N 1.086 122.323 121.300 -0.105 0.000 2.388 266 W HA 0.123 4.785 4.660 0.003 0.000 0.294 266 W C 2.313 178.704 176.519 -0.212 0.000 1.212 266 W CA 1.282 58.497 57.345 -0.216 0.000 1.271 266 W CB -0.374 28.920 29.460 -0.277 0.000 1.126 266 W HN 0.119 nan 8.180 nan 0.000 0.535 267 A N -0.478 122.420 122.820 0.130 0.000 2.125 267 A HA -0.168 4.152 4.320 0.000 0.000 0.219 267 A C 1.943 179.576 177.584 0.082 0.000 1.156 267 A CA 1.893 54.020 52.037 0.149 0.000 0.671 267 A CB -0.824 18.273 19.000 0.161 0.000 0.794 267 A HN 0.180 nan 8.150 nan 0.000 0.459 268 S N -0.164 115.510 115.700 -0.043 0.000 2.402 268 S HA -0.187 4.283 4.470 0.000 0.000 0.229 268 S C 1.912 176.410 174.600 -0.171 0.000 1.021 268 S CA 1.498 59.645 58.200 -0.090 0.000 0.974 268 S CB -0.226 62.891 63.200 -0.138 0.000 0.800 268 S HN 0.775 nan 8.310 nan 0.000 0.484 269 Q N 0.184 119.791 119.800 -0.322 0.000 2.245 269 Q HA 0.159 4.499 4.340 0.000 0.000 0.201 269 Q C 1.858 177.602 176.000 -0.426 0.000 0.955 269 Q CA 0.765 56.261 55.803 -0.512 0.000 0.870 269 Q CB -0.112 27.988 28.738 -1.062 0.000 0.945 269 Q HN 0.555 nan 8.270 nan 0.000 0.461 270 I N -1.128 119.247 120.570 -0.324 0.000 2.429 270 I HA -0.061 4.110 4.170 0.000 0.000 0.247 270 I C 0.015 175.840 176.117 -0.486 0.000 1.099 270 I CA 0.583 61.660 61.300 -0.372 0.000 1.422 270 I CB 0.239 37.993 38.000 -0.410 0.000 1.112 270 I HN 0.033 nan 8.210 nan 0.000 0.430 271 Y N 2.056 122.317 120.300 -0.066 0.000 2.328 271 Y HA 0.317 4.868 4.550 0.001 0.000 0.336 271 Y C -1.690 174.179 175.900 -0.052 0.000 0.960 271 Y CA -2.491 55.585 58.100 -0.040 0.000 1.134 271 Y CB 0.499 38.944 38.460 -0.024 0.000 1.166 271 Y HN -0.096 nan 8.280 nan 0.000 0.464 272 P HA -0.015 nan 4.420 nan 0.000 0.236 272 P C 1.022 178.346 177.300 0.039 0.000 1.177 272 P CA 0.882 64.000 63.100 0.030 0.000 0.773 272 P CB 0.399 32.107 31.700 0.013 0.000 0.878 273 G N 0.001 108.845 108.800 0.073 0.000 3.233 273 G HA2 0.120 4.080 3.960 0.000 0.000 0.227 273 G HA3 0.120 4.080 3.960 0.000 0.000 0.227 273 G C 0.540 175.450 174.900 0.018 0.000 1.175 273 G CA -0.149 44.976 45.100 0.041 0.000 0.781 273 G HN 0.115 nan 8.290 nan 0.000 0.542 274 I N 1.489 122.072 120.570 0.022 0.000 2.452 274 I HA 0.213 4.383 4.170 0.000 0.000 0.287 274 I C 0.030 176.133 176.117 -0.024 0.000 1.079 274 I CA 0.009 61.305 61.300 -0.007 0.000 1.387 274 I CB 0.762 38.766 38.000 0.006 0.000 1.404 274 I HN 0.011 nan 8.210 nan 0.000 0.522 275 K N 5.028 125.410 120.400 -0.031 0.000 2.221 275 K HA 0.456 4.776 4.320 0.000 0.000 0.258 275 K C 0.261 176.835 176.600 -0.043 0.000 0.944 275 K CA -0.397 55.869 56.287 -0.035 0.000 0.823 275 K CB 3.003 35.485 32.500 -0.030 0.000 1.113 275 K HN 0.370 nan 8.250 nan 0.000 0.431 276 V N 3.284 123.169 119.914 -0.047 0.000 3.426 276 V HA 0.007 4.127 4.120 0.000 0.000 0.279 276 V C 1.848 177.912 176.094 -0.050 0.000 1.544 276 V CA 0.408 62.676 62.300 -0.053 0.000 1.017 276 V CB 0.175 31.962 31.823 -0.059 0.000 0.821 276 V HN 0.807 nan 8.190 nan 0.000 0.432 277 R N 0.223 120.697 120.500 -0.044 0.000 2.148 277 R HA -0.254 4.086 4.340 0.000 0.000 0.230 277 R C 2.212 178.490 176.300 -0.037 0.000 1.120 277 R CA 2.711 58.788 56.100 -0.039 0.000 0.902 277 R CB -0.345 29.935 30.300 -0.034 0.000 0.839 277 R HN 0.419 nan 8.270 nan 0.000 0.431 278 Q N 0.427 120.206 119.800 -0.034 0.000 2.142 278 Q HA -0.242 4.099 4.340 0.000 0.000 0.213 278 Q C 2.109 178.086 176.000 -0.037 0.000 1.004 278 Q CA 1.766 57.550 55.803 -0.031 0.000 0.883 278 Q CB -0.683 28.038 28.738 -0.028 0.000 0.939 278 Q HN 0.390 nan 8.270 nan 0.000 0.413 279 L N 0.213 121.407 121.223 -0.048 0.000 2.131 279 L HA -0.121 4.220 4.340 0.000 0.000 0.210 279 L C 1.894 178.727 176.870 -0.061 0.000 1.092 279 L CA 1.689 56.492 54.840 -0.062 0.000 0.759 279 L CB -0.317 41.696 42.059 -0.078 0.000 0.903 279 L HN 0.060 nan 8.230 nan 0.000 0.435 280 S N -1.517 114.152 115.700 -0.053 0.000 2.527 280 S HA -0.071 4.399 4.470 0.000 0.000 0.222 280 S C 1.792 176.371 174.600 -0.036 0.000 0.985 280 S CA 0.380 58.552 58.200 -0.047 0.000 0.921 280 S CB -0.026 63.147 63.200 -0.045 0.000 0.772 280 S HN 0.280 nan 8.310 nan 0.000 0.529 281 K N 1.983 122.364 120.400 -0.032 0.000 2.280 281 K HA -0.043 4.277 4.320 0.000 0.000 0.202 281 K C 1.362 177.950 176.600 -0.020 0.000 1.047 281 K CA 0.768 57.041 56.287 -0.024 0.000 0.942 281 K CB -0.358 32.129 32.500 -0.022 0.000 0.739 281 K HN 0.454 nan 8.250 nan 0.000 0.457 282 L N -1.735 119.474 121.223 -0.023 0.000 2.627 282 L HA 0.260 4.600 4.340 0.000 0.000 0.232 282 L C 0.700 177.562 176.870 -0.015 0.000 1.150 282 L CA 0.763 55.593 54.840 -0.017 0.000 0.917 282 L CB 0.106 42.155 42.059 -0.017 0.000 1.104 282 L HN -0.040 nan 8.230 nan 0.000 0.445 283 L N -1.002 120.210 121.223 -0.018 0.000 2.731 283 L HA 0.336 4.676 4.340 0.000 0.000 0.240 283 L C 0.836 177.699 176.870 -0.011 0.000 1.120 283 L CA -0.402 54.429 54.840 -0.015 0.000 0.913 283 L CB 0.047 42.093 42.059 -0.022 0.000 1.213 283 L HN 0.165 nan 8.230 nan 0.000 0.515 284 R N 1.720 122.212 120.500 -0.012 0.000 2.523 284 R HA 0.277 4.617 4.340 0.000 0.000 0.281 284 R C 0.517 176.814 176.300 -0.006 0.000 0.969 284 R CA 0.845 56.940 56.100 -0.010 0.000 1.093 284 R CB -0.327 29.967 30.300 -0.010 0.000 0.917 284 R HN 0.237 nan 8.270 nan 0.000 0.408 285 G N 1.652 110.449 108.800 -0.005 0.000 2.895 285 G HA2 -0.228 3.732 3.960 0.000 0.000 0.686 285 G HA3 -0.228 3.732 3.960 0.000 0.000 0.686 285 G C -0.081 174.819 174.900 -0.001 0.000 1.108 285 G CA -0.458 44.640 45.100 -0.003 0.000 0.761 285 G HN 0.743 nan 8.290 nan 0.000 0.611 286 T N -0.404 114.150 114.554 -0.000 0.000 2.765 286 T HA 0.475 4.825 4.350 0.000 0.000 0.284 286 T C 0.349 175.051 174.700 0.003 0.000 0.946 286 T CA 0.549 62.650 62.100 0.001 0.000 1.185 286 T CB 1.154 70.023 68.868 0.002 0.000 0.887 286 T HN 0.755 nan 8.240 nan 0.000 0.532 287 K N 1.995 122.398 120.400 0.005 0.000 2.306 287 K HA 0.725 5.045 4.320 0.000 0.000 0.236 287 K C 0.212 176.818 176.600 0.010 0.000 1.013 287 K CA -1.120 55.172 56.287 0.007 0.000 0.857 287 K CB 1.803 34.308 32.500 0.008 0.000 1.214 287 K HN 0.782 nan 8.250 nan 0.000 0.449 288 A N 1.410 124.237 122.820 0.012 0.000 2.386 288 A HA 0.107 4.427 4.320 0.000 0.000 0.246 288 A C 0.661 178.255 177.584 0.017 0.000 1.089 288 A CA -0.070 51.975 52.037 0.013 0.000 0.790 288 A CB 0.223 19.231 19.000 0.014 0.000 1.042 288 A HN 0.710 nan 8.150 nan 0.000 0.497 289 L N 0.334 121.567 121.223 0.018 0.000 2.145 289 L HA 0.036 4.376 4.340 0.000 0.000 0.201 289 L C 2.447 179.334 176.870 0.029 0.000 1.075 289 L CA 2.537 57.390 54.840 0.022 0.000 0.773 289 L CB -0.526 41.544 42.059 0.020 0.000 0.936 289 L HN 0.800 nan 8.230 nan 0.000 0.451 290 T N -0.991 113.579 114.554 0.026 0.000 2.995 290 T HA -0.111 4.239 4.350 0.000 0.000 0.269 290 T C 0.741 175.460 174.700 0.032 0.000 1.091 290 T CA 0.050 62.167 62.100 0.029 0.000 1.128 290 T CB -0.341 68.539 68.868 0.021 0.000 0.891 290 T HN 0.309 nan 8.240 nan 0.000 0.492 291 E N 2.175 122.392 120.200 0.029 0.000 2.694 291 E HA 0.023 4.373 4.350 0.000 0.000 0.250 291 E C -0.648 175.977 176.600 0.042 0.000 0.963 291 E CA -0.321 56.097 56.400 0.030 0.000 0.949 291 E CB 0.348 30.063 29.700 0.025 0.000 0.911 291 E HN 0.058 nan 8.360 nan 0.000 0.500 292 V N 6.445 126.384 119.914 0.043 0.000 2.614 292 V HA 0.119 4.239 4.120 0.000 0.000 0.291 292 V C 0.465 176.596 176.094 0.062 0.000 1.049 292 V CA -0.100 62.235 62.300 0.059 0.000 1.038 292 V CB 0.807 32.656 31.823 0.043 0.000 0.980 292 V HN 0.561 nan 8.190 nan 0.000 0.481 293 I N 6.233 126.856 120.570 0.089 0.000 2.545 293 I HA 0.493 4.664 4.170 0.000 0.000 0.292 293 I C -2.326 173.855 176.117 0.108 0.000 1.040 293 I CA -2.273 59.075 61.300 0.079 0.000 1.068 293 I CB 2.427 40.465 38.000 0.064 0.000 1.251 293 I HN 0.494 nan 8.210 nan 0.000 0.424 294 P HA 0.331 nan 4.420 nan 0.000 0.290 294 P C -0.747 176.605 177.300 0.087 0.000 1.276 294 P CA -0.679 62.475 63.100 0.089 0.000 0.808 294 P CB 1.885 33.619 31.700 0.056 0.000 0.966 295 L N 3.386 124.680 121.223 0.119 0.000 2.380 295 L HA 0.221 4.561 4.340 0.000 0.000 0.273 295 L C 1.377 178.280 176.870 0.055 0.000 1.138 295 L CA 0.627 55.520 54.840 0.089 0.000 0.832 295 L CB 0.552 42.695 42.059 0.139 0.000 1.124 295 L HN 0.582 nan 8.230 nan 0.000 0.454 296 T N -0.198 114.374 114.554 0.030 0.000 2.833 296 T HA 0.166 4.516 4.350 0.000 0.000 0.312 296 T C 0.890 175.601 174.700 0.019 0.000 1.085 296 T CA 0.155 62.268 62.100 0.020 0.000 0.955 296 T CB 0.360 69.233 68.868 0.009 0.000 1.353 296 T HN 0.708 nan 8.240 nan 0.000 0.544 297 E N 0.090 120.297 120.200 0.012 0.000 2.076 297 E HA -0.114 4.236 4.350 0.000 0.000 0.190 297 E C 1.826 178.429 176.600 0.005 0.000 0.979 297 E CA 0.801 57.208 56.400 0.010 0.000 0.807 297 E CB -0.065 29.640 29.700 0.008 0.000 0.761 297 E HN 0.730 nan 8.360 nan 0.000 0.454 298 E N 0.291 120.491 120.200 -0.000 0.000 2.358 298 E HA -0.016 4.335 4.350 0.000 0.000 0.195 298 E C 1.500 178.092 176.600 -0.012 0.000 1.010 298 E CA 0.794 57.190 56.400 -0.006 0.000 0.856 298 E CB 0.131 29.825 29.700 -0.009 0.000 0.795 298 E HN 0.342 nan 8.360 nan 0.000 0.504 299 A N 0.880 123.693 122.820 -0.011 0.000 1.903 299 A HA -0.075 4.245 4.320 0.000 0.000 0.213 299 A C 1.957 179.531 177.584 -0.017 0.000 1.185 299 A CA 0.770 52.793 52.037 -0.024 0.000 0.628 299 A CB -0.043 18.942 19.000 -0.025 0.000 0.830 299 A HN 0.014 nan 8.150 nan 0.000 0.446 300 E N -0.571 119.632 120.200 0.005 0.000 2.358 300 E HA -0.063 4.288 4.350 0.000 0.000 0.195 300 E C 1.533 178.137 176.600 0.008 0.000 1.010 300 E CA 0.429 56.839 56.400 0.018 0.000 0.856 300 E CB 0.040 29.761 29.700 0.035 0.000 0.795 300 E HN 0.499 nan 8.360 nan 0.000 0.504 301 L N 0.466 121.689 121.223 -0.000 0.000 2.554 301 L HA 0.006 4.346 4.340 0.000 0.000 0.226 301 L C 1.732 178.595 176.870 -0.011 0.000 1.137 301 L CA 1.237 56.075 54.840 -0.003 0.000 0.863 301 L CB 0.193 42.250 42.059 -0.004 0.000 0.985 301 L HN -0.044 nan 8.230 nan 0.000 0.451 302 E N -1.719 118.470 120.200 -0.018 0.000 2.332 302 E HA -0.024 4.326 4.350 0.000 0.000 0.202 302 E C 1.878 178.458 176.600 -0.033 0.000 0.877 302 E CA 0.147 56.530 56.400 -0.028 0.000 0.979 302 E CB 0.147 29.825 29.700 -0.037 0.000 0.969 302 E HN 0.349 nan 8.360 nan 0.000 0.495 303 L N 0.769 121.974 121.223 -0.030 0.000 2.191 303 L HA -0.059 4.281 4.340 0.000 0.000 0.212 303 L C 1.949 178.813 176.870 -0.009 0.000 1.103 303 L CA 1.987 56.810 54.840 -0.028 0.000 0.769 303 L CB -0.096 41.957 42.059 -0.010 0.000 0.908 303 L HN 0.148 nan 8.230 nan 0.000 0.438 304 A N -1.626 121.192 122.820 -0.003 0.000 2.044 304 A HA -0.018 4.302 4.320 0.000 0.000 0.213 304 A C 2.142 179.718 177.584 -0.013 0.000 1.169 304 A CA 0.792 52.829 52.037 0.000 0.000 0.724 304 A CB -0.309 18.696 19.000 0.008 0.000 0.840 304 A HN 0.409 nan 8.150 nan 0.000 0.463 305 E N 0.991 121.180 120.200 -0.019 0.000 2.106 305 E HA -0.129 4.221 4.350 0.000 0.000 0.192 305 E C 1.676 178.251 176.600 -0.042 0.000 0.984 305 E CA 1.510 57.895 56.400 -0.025 0.000 0.806 305 E CB -0.120 29.566 29.700 -0.024 0.000 0.750 305 E HN 0.550 nan 8.360 nan 0.000 0.458 306 N N -0.135 118.535 118.700 -0.050 0.000 2.250 306 N HA -0.079 4.661 4.740 0.000 0.000 0.181 306 N C 1.659 177.117 175.510 -0.086 0.000 1.017 306 N CA 0.685 53.690 53.050 -0.075 0.000 0.866 306 N CB -0.240 38.205 38.487 -0.069 0.000 0.985 306 N HN 0.101 nan 8.380 nan 0.000 0.429 307 R N 1.084 121.553 120.500 -0.052 0.000 2.237 307 R HA -0.027 4.313 4.340 0.000 0.000 0.219 307 R C 1.679 177.954 176.300 -0.043 0.000 1.080 307 R CA 0.861 56.937 56.100 -0.039 0.000 0.995 307 R CB 0.233 30.529 30.300 -0.007 0.000 0.875 307 R HN 0.178 nan 8.270 nan 0.000 0.462 308 E N 0.289 120.462 120.200 -0.046 0.000 2.201 308 E HA -0.081 4.269 4.350 0.000 0.000 0.193 308 E C 1.635 178.200 176.600 -0.059 0.000 0.957 308 E CA 0.374 56.753 56.400 -0.035 0.000 0.858 308 E CB 0.076 29.765 29.700 -0.018 0.000 0.816 308 E HN 0.320 nan 8.360 nan 0.000 0.475 309 I N 1.032 121.545 120.570 -0.095 0.000 2.830 309 I HA -0.071 4.099 4.170 0.000 0.000 0.263 309 I C 1.423 177.364 176.117 -0.294 0.000 1.230 309 I CA 0.427 61.645 61.300 -0.136 0.000 1.480 309 I CB 0.193 38.116 38.000 -0.129 0.000 1.095 309 I HN 0.012 nan 8.210 nan 0.000 0.455 310 L N 1.134 122.184 121.223 -0.289 0.000 2.934 310 L HA 0.158 4.499 4.340 0.000 0.000 0.233 310 L C 0.888 177.670 176.870 -0.147 0.000 1.358 310 L CA 0.231 54.852 54.840 -0.366 0.000 1.233 310 L CB -0.593 41.311 42.059 -0.258 0.000 1.594 310 L HN 0.163 nan 8.230 nan 0.000 0.439 311 K N -0.471 119.874 120.400 -0.091 0.000 2.509 311 K HA 0.172 4.492 4.320 0.000 0.000 0.205 311 K C -0.114 176.508 176.600 0.037 0.000 1.336 311 K CA -0.212 56.072 56.287 -0.004 0.000 0.912 311 K CB 0.576 33.080 32.500 0.007 0.000 1.568 311 K HN 0.134 nan 8.250 nan 0.000 0.475 312 E N 3.590 123.818 120.200 0.047 0.000 2.259 312 E HA 0.106 4.456 4.350 0.000 0.000 0.281 312 E C -2.351 174.243 176.600 -0.010 0.000 1.037 312 E CA -1.873 54.553 56.400 0.043 0.000 0.854 312 E CB 0.319 30.098 29.700 0.130 0.000 1.051 312 E HN 0.107 nan 8.360 nan 0.000 0.409 313 P HA -0.155 nan 4.420 nan 0.000 0.273 313 P C -0.263 176.909 177.300 -0.213 0.000 1.237 313 P CA -0.117 62.957 63.100 -0.043 0.000 0.813 313 P CB 0.450 32.118 31.700 -0.052 0.000 0.930 314 V N 2.872 122.664 119.914 -0.203 0.000 2.425 314 V HA -0.020 4.101 4.120 0.000 0.000 0.276 314 V C 1.226 177.178 176.094 -0.237 0.000 1.017 314 V CA 0.184 62.324 62.300 -0.266 0.000 1.062 314 V CB -1.214 30.423 31.823 -0.310 0.000 0.997 314 V HN 0.480 nan 8.190 nan 0.000 0.476 315 H N 3.460 122.525 119.070 -0.008 0.000 2.836 315 H HA 0.175 4.730 4.556 -0.000 0.000 0.368 315 H C 1.344 176.615 175.328 -0.095 0.000 1.164 315 H CA 0.910 56.943 56.048 -0.026 0.000 1.425 315 H CB 0.527 30.300 29.762 0.018 0.000 1.414 315 H HN 0.954 nan 8.280 nan 0.000 0.614 316 G N 0.384 109.163 108.800 -0.035 0.000 2.256 316 G HA2 -0.180 3.780 3.960 0.000 0.000 0.272 316 G HA3 -0.180 3.780 3.960 0.000 0.000 0.272 316 G C -0.333 174.282 174.900 -0.474 0.000 1.076 316 G CA 0.429 45.403 45.100 -0.211 0.000 0.882 316 G HN 0.645 nan 8.290 nan 0.000 0.497 317 V N 0.456 119.948 119.914 -0.704 0.000 2.655 317 V HA 0.810 4.930 4.120 0.000 0.000 0.301 317 V C -0.855 174.872 176.094 -0.611 0.000 1.082 317 V CA -1.208 60.741 62.300 -0.584 0.000 0.899 317 V CB 1.315 33.004 31.823 -0.225 0.000 1.014 317 V HN 0.624 nan 8.190 nan 0.000 0.429 318 Y N 4.903 125.245 120.300 0.070 0.000 2.602 318 Y HA 0.609 5.159 4.550 -0.000 0.000 0.342 318 Y C -0.503 175.458 175.900 0.102 0.000 1.029 318 Y CA -1.411 56.751 58.100 0.103 0.000 1.080 318 Y CB 1.089 39.602 38.460 0.087 0.000 1.284 318 Y HN 0.701 nan 8.280 nan 0.000 0.485 319 Y N 1.387 121.803 120.300 0.193 0.000 2.304 319 Y HA 0.472 5.022 4.550 0.001 0.000 0.327 319 Y C -0.868 175.058 175.900 0.044 0.000 1.209 319 Y CA -0.341 57.791 58.100 0.052 0.000 1.299 319 Y CB 1.070 39.574 38.460 0.073 0.000 1.249 319 Y HN 0.716 nan 8.280 nan 0.000 0.519 320 D N 6.939 126.761 120.400 -0.964 0.000 2.763 320 D HA 0.273 4.913 4.640 0.000 0.000 0.235 320 D C -2.396 173.358 176.300 -0.910 0.000 1.334 320 D CA -1.987 51.597 54.000 -0.693 0.000 0.950 320 D CB 2.016 42.640 40.800 -0.293 0.000 1.433 320 D HN 0.325 nan 8.370 nan 0.000 0.580 321 P HA -0.045 nan 4.420 nan 0.000 0.237 321 P C 1.034 178.240 177.300 -0.156 0.000 1.178 321 P CA 0.272 63.188 63.100 -0.307 0.000 0.766 321 P CB 0.450 32.149 31.700 -0.003 0.000 0.876 322 S N -0.780 114.821 115.700 -0.166 0.000 2.555 322 S HA -0.001 4.469 4.470 0.000 0.000 0.230 322 S C 0.632 175.175 174.600 -0.095 0.000 0.978 322 S CA 0.395 58.537 58.200 -0.096 0.000 0.934 322 S CB -0.491 62.659 63.200 -0.083 0.000 0.766 322 S HN 0.174 nan 8.310 nan 0.000 0.533 323 K N 1.449 121.765 120.400 -0.141 0.000 2.427 323 K HA 0.369 4.689 4.320 0.000 0.000 0.252 323 K C -1.241 175.280 176.600 -0.131 0.000 0.931 323 K CA -0.891 55.324 56.287 -0.121 0.000 0.793 323 K CB 1.374 33.794 32.500 -0.134 0.000 1.211 323 K HN 0.027 nan 8.250 nan 0.000 0.426 324 D N 0.974 121.319 120.400 -0.092 0.000 2.335 324 D HA 0.006 4.647 4.640 0.000 0.000 0.236 324 D C -0.555 175.651 176.300 -0.157 0.000 1.297 324 D CA 0.045 53.993 54.000 -0.085 0.000 0.906 324 D CB 0.407 41.173 40.800 -0.057 0.000 1.164 324 D HN 0.112 nan 8.370 nan 0.000 0.469 325 L N 0.704 121.833 121.223 -0.156 0.000 2.307 325 L HA 0.448 4.788 4.340 0.000 0.000 0.284 325 L C -1.136 175.555 176.870 -0.298 0.000 1.023 325 L CA -0.400 54.291 54.840 -0.248 0.000 0.810 325 L CB 1.189 43.125 42.059 -0.205 0.000 1.231 325 L HN 0.223 nan 8.230 nan 0.000 0.423 326 I N 4.521 124.817 120.570 -0.458 0.000 2.433 326 I HA 0.735 4.906 4.170 0.000 0.000 0.292 326 I C -0.162 175.591 176.117 -0.608 0.000 1.001 326 I CA -0.304 60.662 61.300 -0.556 0.000 1.119 326 I CB 1.815 39.365 38.000 -0.751 0.000 1.289 326 I HN 0.650 nan 8.210 nan 0.000 0.438 327 A N 4.820 127.306 122.820 -0.555 0.000 2.350 327 A HA 0.852 5.172 4.320 0.000 0.000 0.324 327 A C -0.734 176.682 177.584 -0.280 0.000 1.118 327 A CA -0.500 51.222 52.037 -0.525 0.000 0.783 327 A CB 1.295 19.600 19.000 -1.158 0.000 1.236 327 A HN 0.730 nan 8.150 nan 0.000 0.457 328 E N 1.727 121.908 120.200 -0.033 0.000 2.275 328 E HA 0.589 4.939 4.350 0.000 0.000 0.270 328 E C -1.797 174.895 176.600 0.154 0.000 0.882 328 E CA -0.514 55.939 56.400 0.087 0.000 0.758 328 E CB 1.218 31.021 29.700 0.172 0.000 1.195 328 E HN 0.500 nan 8.360 nan 0.000 0.419 329 I N 2.705 123.382 120.570 0.178 0.000 2.646 329 I HA 0.328 4.498 4.170 0.000 0.000 0.299 329 I C -0.936 175.327 176.117 0.244 0.000 1.036 329 I CA -0.565 60.880 61.300 0.242 0.000 1.074 329 I CB 2.048 40.202 38.000 0.257 0.000 1.258 329 I HN 0.452 nan 8.210 nan 0.000 0.430 330 Q N 3.607 123.562 119.800 0.258 0.000 2.304 330 Q HA 0.465 4.805 4.340 0.000 0.000 0.270 330 Q C -0.725 175.359 176.000 0.141 0.000 1.035 330 Q CA -0.873 55.042 55.803 0.186 0.000 0.781 330 Q CB 2.303 31.134 28.738 0.154 0.000 1.261 330 Q HN 0.422 nan 8.270 nan 0.000 0.444 331 K N 1.115 121.514 120.400 -0.002 0.000 2.286 331 K HA 0.034 4.355 4.320 0.000 0.000 0.256 331 K C -0.004 176.391 176.600 -0.341 0.000 0.999 331 K CA 0.485 56.506 56.287 -0.442 0.000 0.908 331 K CB 0.576 32.741 32.500 -0.558 0.000 0.981 331 K HN 0.640 nan 8.250 nan 0.000 0.500 332 Q N 0.305 119.821 119.800 -0.473 0.000 2.104 332 Q HA 0.177 4.517 4.340 0.000 0.000 0.240 332 Q C 0.028 175.877 176.000 -0.253 0.000 0.743 332 Q CA 0.599 56.246 55.803 -0.260 0.000 0.920 332 Q CB 1.560 30.210 28.738 -0.148 0.000 1.198 332 Q HN 0.986 nan 8.270 nan 0.000 0.465 333 G N 1.270 109.853 108.800 -0.362 0.000 2.612 333 G HA2 -0.169 3.791 3.960 0.000 0.000 0.686 333 G HA3 -0.169 3.791 3.960 0.000 0.000 0.686 333 G C -0.310 174.495 174.900 -0.158 0.000 1.274 333 G CA -0.062 44.897 45.100 -0.235 0.000 0.849 333 G HN 0.065 nan 8.290 nan 0.000 0.595 334 Q N -1.842 117.904 119.800 -0.090 0.000 2.284 334 Q HA -0.131 4.209 4.340 0.000 0.000 0.205 334 Q C 2.243 178.245 176.000 0.003 0.000 0.682 334 Q CA 3.613 59.395 55.803 -0.034 0.000 1.401 334 Q CB -1.564 27.159 28.738 -0.025 0.000 1.643 334 Q HN 2.867 nan 8.270 nan 0.000 0.717 335 G N -1.006 107.784 108.800 -0.017 0.000 2.176 335 G HA2 -0.347 3.613 3.960 0.000 0.000 0.232 335 G HA3 -0.347 3.613 3.960 0.000 0.000 0.232 335 G C -0.113 174.934 174.900 0.245 0.000 0.986 335 G CA 0.238 45.422 45.100 0.140 0.000 0.643 335 G HN 0.455 nan 8.290 nan 0.000 0.522 336 Q N -0.710 119.117 119.800 0.044 0.000 2.227 336 Q HA 0.615 4.956 4.340 0.000 0.000 0.245 336 Q C -0.686 175.340 176.000 0.043 0.000 0.926 336 Q CA -0.751 55.155 55.803 0.173 0.000 0.895 336 Q CB 0.819 29.596 28.738 0.065 0.000 1.230 336 Q HN 0.313 nan 8.270 nan 0.000 0.450 337 W N 0.020 121.447 121.300 0.211 0.000 3.062 337 W HA 0.478 5.137 4.660 -0.001 0.000 0.336 337 W C -1.035 175.602 176.519 0.196 0.000 1.224 337 W CA -0.442 57.015 57.345 0.188 0.000 1.159 337 W CB 1.657 31.230 29.460 0.189 0.000 1.454 337 W HN 0.635 nan 8.180 nan 0.000 0.569 338 T N -0.667 114.111 114.554 0.373 0.000 2.933 338 T HA 0.775 5.125 4.350 0.000 0.000 0.305 338 T C -1.306 173.498 174.700 0.172 0.000 1.092 338 T CA -0.789 61.417 62.100 0.177 0.000 1.008 338 T CB 1.851 70.719 68.868 -0.000 0.000 1.102 338 T HN 0.546 nan 8.240 nan 0.000 0.469 339 Y N -0.248 120.042 120.300 -0.016 0.000 2.669 339 Y HA 0.823 5.373 4.550 -0.000 0.000 0.335 339 Y C -0.880 174.953 175.900 -0.112 0.000 1.116 339 Y CA -1.429 56.650 58.100 -0.034 0.000 1.081 339 Y CB 1.363 39.846 38.460 0.037 0.000 1.297 339 Y HN 0.921 nan 8.280 nan 0.000 0.484 340 Q N 1.234 121.112 119.800 0.130 0.000 2.501 340 Q HA 0.774 5.114 4.340 0.000 0.000 0.288 340 Q C -1.760 174.373 176.000 0.221 0.000 1.051 340 Q CA -1.152 54.698 55.803 0.079 0.000 0.788 340 Q CB 3.402 32.160 28.738 0.033 0.000 1.469 340 Q HN 0.735 nan 8.270 nan 0.000 0.416 341 I N 2.024 122.717 120.570 0.205 0.000 2.531 341 I HA 0.381 4.552 4.170 0.000 0.000 0.283 341 I C -1.502 174.683 176.117 0.112 0.000 1.083 341 I CA -0.723 60.641 61.300 0.107 0.000 1.071 341 I CB 1.055 39.149 38.000 0.156 0.000 1.210 341 I HN 0.771 nan 8.210 nan 0.000 0.450 342 Y N 3.808 124.039 120.300 -0.114 0.000 2.609 342 Y HA 0.560 5.110 4.550 -0.001 0.000 0.342 342 Y C 0.266 176.070 175.900 -0.160 0.000 1.058 342 Y CA -0.845 57.180 58.100 -0.123 0.000 1.055 342 Y CB 1.301 39.694 38.460 -0.111 0.000 1.292 342 Y HN 0.285 nan 8.280 nan 0.000 0.476 343 Q N 0.217 119.993 119.800 -0.039 0.000 2.388 343 Q HA 0.209 4.549 4.340 0.000 0.000 0.204 343 Q C -0.482 175.514 176.000 -0.007 0.000 0.946 343 Q CA 0.830 56.558 55.803 -0.126 0.000 0.880 343 Q CB 0.567 29.227 28.738 -0.130 0.000 0.997 343 Q HN 0.729 nan 8.270 nan 0.000 0.552 344 E N 1.022 121.287 120.200 0.108 0.000 2.212 344 E HA 0.388 4.738 4.350 0.000 0.000 0.268 344 E C -2.507 174.184 176.600 0.150 0.000 0.902 344 E CA -2.411 54.058 56.400 0.114 0.000 0.779 344 E CB 1.574 31.302 29.700 0.046 0.000 1.172 344 E HN -0.083 nan 8.360 nan 0.000 0.409 345 P HA -0.102 nan 4.420 nan 0.000 0.259 345 P C -0.292 176.848 177.300 -0.267 0.000 1.163 345 P CA 0.653 63.563 63.100 -0.318 0.000 0.760 345 P CB -0.020 31.534 31.700 -0.243 0.000 0.762 346 F N 0.594 120.343 119.950 -0.336 0.000 2.666 346 F HA -0.256 4.268 4.527 -0.005 0.000 0.458 346 F C 0.981 176.670 175.800 -0.184 0.000 0.561 346 F CA 1.152 59.006 58.000 -0.244 0.000 1.129 346 F CB -1.502 37.396 39.000 -0.169 0.000 1.751 346 F HN 0.347 nan 8.300 nan 0.000 0.275 347 K N 2.099 122.499 120.400 -0.000 0.000 2.765 347 K HA 0.251 4.571 4.320 0.000 0.000 0.246 347 K C 0.004 176.621 176.600 0.028 0.000 1.254 347 K CA -0.253 56.033 56.287 -0.002 0.000 1.219 347 K CB -0.355 32.147 32.500 0.004 0.000 1.747 347 K HN 0.190 nan 8.250 nan 0.000 0.372 348 N N 1.012 119.723 118.700 0.019 0.000 2.395 348 N HA -0.005 4.735 4.740 0.000 0.000 0.246 348 N C 1.268 176.829 175.510 0.085 0.000 1.246 348 N CA 0.174 53.271 53.050 0.079 0.000 0.879 348 N CB 0.727 39.250 38.487 0.060 0.000 1.098 348 N HN 0.208 nan 8.380 nan 0.000 0.444 349 L N 0.099 121.398 121.223 0.127 0.000 2.433 349 L HA 0.251 4.591 4.340 0.000 0.000 0.200 349 L C 0.722 177.730 176.870 0.231 0.000 1.059 349 L CA 0.483 55.431 54.840 0.181 0.000 0.835 349 L CB 0.120 42.282 42.059 0.171 0.000 1.076 349 L HN 0.425 nan 8.230 nan 0.000 0.481 350 K N 0.524 121.059 120.400 0.224 0.000 2.443 350 K HA 0.276 4.597 4.320 0.000 0.000 0.252 350 K C -0.802 175.840 176.600 0.070 0.000 0.933 350 K CA -0.390 56.001 56.287 0.174 0.000 0.792 350 K CB 1.809 34.451 32.500 0.237 0.000 1.185 350 K HN -0.061 nan 8.250 nan 0.000 0.425 351 T N 0.864 115.421 114.554 0.005 0.000 3.029 351 T HA 0.500 4.851 4.350 0.000 0.000 0.346 351 T C 0.330 174.902 174.700 -0.213 0.000 1.211 351 T CA -0.642 61.406 62.100 -0.088 0.000 1.009 351 T CB 0.808 69.683 68.868 0.012 0.000 1.084 351 T HN 0.562 nan 8.240 nan 0.000 0.536 352 G N 1.832 110.301 108.800 -0.551 0.000 2.557 352 G HA2 0.667 4.627 3.960 0.000 0.000 0.302 352 G HA3 0.667 4.627 3.960 0.000 0.000 0.302 352 G C -1.076 173.425 174.900 -0.665 0.000 1.311 352 G CA -1.030 43.616 45.100 -0.757 0.000 1.030 352 G HN 0.856 nan 8.290 nan 0.000 0.509 353 K N -1.344 118.862 120.400 -0.323 0.000 2.557 353 K HA 0.428 4.748 4.320 0.000 0.000 0.261 353 K C -2.401 174.358 176.600 0.265 0.000 0.932 353 K CA -0.803 55.473 56.287 -0.019 0.000 0.829 353 K CB 2.322 34.825 32.500 0.006 0.000 1.358 353 K HN 0.492 nan 8.250 nan 0.000 0.430 354 Y N 1.525 121.953 120.300 0.212 0.000 2.409 354 Y HA 0.669 5.219 4.550 0.000 0.000 0.343 354 Y C -1.050 174.972 175.900 0.203 0.000 0.973 354 Y CA -0.383 57.859 58.100 0.237 0.000 1.064 354 Y CB 2.103 40.735 38.460 0.288 0.000 1.207 354 Y HN 0.723 nan 8.280 nan 0.000 0.452 355 A N 6.015 128.594 122.820 -0.402 0.000 2.299 355 A HA 0.692 5.012 4.320 0.000 0.000 0.332 355 A C -0.565 176.841 177.584 -0.297 0.000 1.131 355 A CA -0.974 50.929 52.037 -0.224 0.000 0.844 355 A CB 0.949 19.855 19.000 -0.157 0.000 1.251 355 A HN 0.895 nan 8.150 nan 0.000 0.486 356 R N 0.572 121.046 120.500 -0.043 0.000 2.637 356 R HA 0.329 4.669 4.340 0.000 0.000 0.269 356 R C 0.327 176.598 176.300 -0.049 0.000 1.089 356 R CA -0.329 55.795 56.100 0.041 0.000 1.177 356 R CB 0.277 30.636 30.300 0.098 0.000 1.091 356 R HN 0.773 nan 8.270 nan 0.000 0.540 357 M N 2.419 122.010 119.600 -0.016 0.000 2.581 357 M HA 0.122 4.602 4.480 0.000 0.000 0.224 357 M C 0.080 176.340 176.300 -0.067 0.000 1.171 357 M CA 0.374 55.637 55.300 -0.062 0.000 0.993 357 M CB -0.239 32.315 32.600 -0.078 0.000 1.685 357 M HN 0.689 nan 8.290 nan 0.000 0.479 358 R N -1.600 118.881 120.500 -0.032 0.000 4.236 358 R HA -0.074 4.266 4.340 0.000 0.000 0.230 358 R C 0.057 176.357 176.300 -0.000 0.000 0.241 358 R CA 0.324 56.411 56.100 -0.022 0.000 0.832 358 R CB -1.316 28.959 30.300 -0.041 0.000 1.177 358 R HN 0.487 nan 8.270 nan 0.000 0.466 359 G N -0.551 108.254 108.800 0.007 0.000 2.525 359 G HA2 0.499 4.459 3.960 0.000 0.000 0.287 359 G HA3 0.499 4.459 3.960 0.000 0.000 0.287 359 G C 0.440 175.384 174.900 0.074 0.000 1.350 359 G CA 0.315 45.436 45.100 0.036 0.000 1.039 359 G HN 1.668 nan 8.290 nan 0.000 0.513 360 A N -1.613 121.263 122.820 0.094 0.000 3.172 360 A HA -0.182 4.138 4.320 0.000 0.000 0.263 360 A C 0.573 178.312 177.584 0.258 0.000 1.215 360 A CA 1.579 53.703 52.037 0.145 0.000 1.065 360 A CB -2.361 16.742 19.000 0.172 0.000 1.148 360 A HN 0.977 nan 8.150 nan 0.000 0.904 361 H N -0.442 118.615 119.070 -0.022 0.000 2.597 361 H HA 0.170 4.726 4.556 0.000 0.000 0.225 361 H C -0.473 174.836 175.328 -0.031 0.000 1.422 361 H CA 0.153 56.176 56.048 -0.042 0.000 1.335 361 H CB 0.475 30.206 29.762 -0.053 0.000 1.783 361 H HN 0.337 nan 8.280 nan 0.000 0.513 362 T N 1.765 116.342 114.554 0.039 0.000 3.474 362 T HA 0.026 4.376 4.350 0.000 0.000 0.270 362 T C 0.354 175.052 174.700 -0.004 0.000 1.079 362 T CA 0.037 62.155 62.100 0.031 0.000 1.110 362 T CB -0.577 68.300 68.868 0.016 0.000 1.087 362 T HN 0.381 nan 8.240 nan 0.000 0.784 363 N N 1.536 120.242 118.700 0.010 0.000 2.500 363 N HA 0.241 4.981 4.740 0.000 0.000 0.291 363 N C 0.098 175.647 175.510 0.064 0.000 1.092 363 N CA -0.615 52.414 53.050 -0.035 0.000 0.890 363 N CB 1.580 39.950 38.487 -0.194 0.000 1.466 363 N HN 0.009 nan 8.380 nan 0.000 0.507 364 D N 1.589 122.073 120.400 0.139 0.000 2.097 364 D HA -0.126 4.514 4.640 0.000 0.000 0.195 364 D C 1.916 178.354 176.300 0.230 0.000 0.989 364 D CA 1.635 55.829 54.000 0.322 0.000 0.827 364 D CB -0.000 40.990 40.800 0.318 0.000 0.966 364 D HN 0.483 nan 8.370 nan 0.000 0.456 365 V N 0.002 120.007 119.914 0.151 0.000 2.295 365 V HA -0.200 3.920 4.120 0.000 0.000 0.246 365 V C 2.354 178.507 176.094 0.097 0.000 1.049 365 V CA 1.590 64.011 62.300 0.202 0.000 1.024 365 V CB -0.769 31.228 31.823 0.290 0.000 0.648 365 V HN 0.032 nan 8.190 nan 0.000 0.447 366 K N 0.106 120.433 120.400 -0.122 0.000 2.032 366 K HA -0.250 4.071 4.320 0.000 0.000 0.209 366 K C 2.424 178.934 176.600 -0.151 0.000 1.048 366 K CA 2.176 58.299 56.287 -0.274 0.000 0.927 366 K CB -0.230 31.900 32.500 -0.616 0.000 0.712 366 K HN 0.610 nan 8.250 nan 0.000 0.441 367 Q N 0.483 120.205 119.800 -0.130 0.000 2.170 367 Q HA -0.132 4.208 4.340 0.000 0.000 0.203 367 Q C 2.173 177.830 176.000 -0.572 0.000 0.976 367 Q CA 1.153 56.826 55.803 -0.217 0.000 0.858 367 Q CB -0.012 28.724 28.738 -0.003 0.000 0.907 367 Q HN 0.343 nan 8.270 nan 0.000 0.433 368 L N 0.348 121.235 121.223 -0.559 0.000 2.005 368 L HA -0.182 4.158 4.340 0.000 0.000 0.207 368 L C 2.556 179.245 176.870 -0.303 0.000 1.072 368 L CA 1.734 56.194 54.840 -0.634 0.000 0.744 368 L CB -0.546 41.322 42.059 -0.320 0.000 0.895 368 L HN 0.415 nan 8.230 nan 0.000 0.433 369 T N -3.581 110.952 114.554 -0.035 0.000 2.803 369 T HA -0.248 4.102 4.350 0.000 0.000 0.269 369 T C 1.564 176.155 174.700 -0.181 0.000 1.052 369 T CA 1.542 63.684 62.100 0.070 0.000 1.136 369 T CB -0.397 68.589 68.868 0.196 0.000 0.864 369 T HN 0.416 nan 8.240 nan 0.000 0.467 370 E N 1.294 121.342 120.200 -0.253 0.000 2.072 370 E HA 0.067 4.417 4.350 0.000 0.000 0.190 370 E C 2.707 179.043 176.600 -0.440 0.000 0.982 370 E CA 0.857 57.085 56.400 -0.287 0.000 0.803 370 E CB -0.339 29.259 29.700 -0.171 0.000 0.755 370 E HN 0.662 nan 8.360 nan 0.000 0.453 371 A N 0.971 123.371 122.820 -0.699 0.000 1.908 371 A HA -0.168 4.152 4.320 0.000 0.000 0.218 371 A C 2.489 179.759 177.584 -0.523 0.000 1.181 371 A CA 1.302 52.786 52.037 -0.921 0.000 0.627 371 A CB -0.759 17.650 19.000 -0.985 0.000 0.818 371 A HN 0.116 nan 8.150 nan 0.000 0.445 372 V N 0.165 119.826 119.914 -0.421 0.000 2.255 372 V HA -0.376 3.744 4.120 0.000 0.000 0.247 372 V C 2.679 178.619 176.094 -0.258 0.000 1.051 372 V CA 2.426 64.445 62.300 -0.468 0.000 1.018 372 V CB -1.134 30.368 31.823 -0.536 0.000 0.641 372 V HN 0.684 nan 8.190 nan 0.000 0.445 373 Q N -0.251 119.409 119.800 -0.234 0.000 2.050 373 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 373 Q C 2.243 178.282 176.000 0.067 0.000 0.980 373 Q CA 1.185 56.953 55.803 -0.057 0.000 0.840 373 Q CB -0.306 28.241 28.738 -0.318 0.000 0.898 373 Q HN 0.453 nan 8.270 nan 0.000 0.424 374 K N 0.233 120.596 120.400 -0.062 0.000 2.442 374 K HA -0.079 4.242 4.320 0.000 0.000 0.198 374 K C 1.658 178.184 176.600 -0.123 0.000 1.044 374 K CA 0.730 57.003 56.287 -0.023 0.000 0.948 374 K CB 0.145 32.663 32.500 0.029 0.000 0.762 374 K HN 0.241 nan 8.250 nan 0.000 0.472 375 I N 0.128 120.614 120.570 -0.142 0.000 2.729 375 I HA -0.081 4.090 4.170 0.000 0.000 0.256 375 I C 1.999 178.145 176.117 0.047 0.000 1.115 375 I CA 0.878 62.072 61.300 -0.178 0.000 1.446 375 I CB -1.502 36.406 38.000 -0.154 0.000 1.176 375 I HN -0.012 nan 8.210 nan 0.000 0.446 376 T N 1.021 115.724 114.554 0.249 0.000 2.635 376 T HA -0.212 4.138 4.350 0.000 0.000 0.267 376 T C 1.906 176.644 174.700 0.064 0.000 1.040 376 T CA 2.468 64.753 62.100 0.308 0.000 1.156 376 T CB -0.832 68.363 68.868 0.545 0.000 0.863 376 T HN 0.293 nan 8.240 nan 0.000 0.430 377 T N 2.245 116.826 114.554 0.045 0.000 2.653 377 T HA -0.176 4.174 4.350 0.000 0.000 0.268 377 T C 1.868 176.466 174.700 -0.170 0.000 1.035 377 T CA 1.681 63.730 62.100 -0.085 0.000 1.154 377 T CB -0.445 68.458 68.868 0.058 0.000 0.862 377 T HN 0.593 nan 8.240 nan 0.000 0.441 378 E N 0.621 120.703 120.200 -0.197 0.000 2.347 378 E HA 0.001 4.351 4.350 0.000 0.000 0.196 378 E C 2.380 178.826 176.600 -0.257 0.000 1.008 378 E CA 0.583 56.782 56.400 -0.336 0.000 0.852 378 E CB -0.004 29.316 29.700 -0.633 0.000 0.783 378 E HN 0.358 nan 8.360 nan 0.000 0.505 379 S N 0.586 116.229 115.700 -0.095 0.000 2.395 379 S HA -0.050 4.420 4.470 0.000 0.000 0.225 379 S C 1.916 176.491 174.600 -0.043 0.000 1.027 379 S CA 0.486 58.752 58.200 0.110 0.000 0.965 379 S CB 0.062 63.350 63.200 0.147 0.000 0.812 379 S HN 0.210 nan 8.310 nan 0.000 0.482 380 I N 1.538 121.947 120.570 -0.267 0.000 2.110 380 I HA -0.095 4.075 4.170 0.000 0.000 0.236 380 I C 2.316 178.114 176.117 -0.531 0.000 1.068 380 I CA 0.995 62.004 61.300 -0.485 0.000 1.333 380 I CB -1.672 35.942 38.000 -0.643 0.000 1.054 380 I HN 0.126 nan 8.210 nan 0.000 0.402 381 V N 2.053 121.653 119.914 -0.523 0.000 2.222 381 V HA -0.326 3.795 4.120 0.000 0.000 0.252 381 V C 2.617 178.475 176.094 -0.393 0.000 1.060 381 V CA 2.149 64.177 62.300 -0.454 0.000 1.027 381 V CB -0.597 31.067 31.823 -0.266 0.000 0.644 381 V HN 0.288 nan 8.190 nan 0.000 0.448 382 I N -1.931 118.343 120.570 -0.493 0.000 2.142 382 I HA -0.220 3.950 4.170 0.000 0.000 0.240 382 I C 2.274 177.821 176.117 -0.950 0.000 1.078 382 I CA 2.179 63.002 61.300 -0.795 0.000 1.343 382 I CB -0.521 36.672 38.000 -1.345 0.000 1.046 382 I HN 0.490 nan 8.210 nan 0.000 0.405 383 W N -0.329 120.647 121.300 -0.539 0.000 3.471 383 W HA 0.326 4.988 4.660 0.002 0.000 0.230 383 W C 1.068 177.022 176.519 -0.943 0.000 1.105 383 W CA 0.818 57.706 57.345 -0.761 0.000 1.631 383 W CB -0.135 28.916 29.460 -0.683 0.000 0.848 383 W HN 0.240 nan 8.180 nan 0.000 0.766 384 G N 2.344 110.906 108.800 -0.397 0.000 2.580 384 G HA2 -0.149 3.811 3.960 0.000 0.000 0.204 384 G HA3 -0.149 3.811 3.960 0.000 0.000 0.204 384 G C -0.349 174.531 174.900 -0.032 0.000 1.107 384 G CA -0.117 44.782 45.100 -0.334 0.000 0.881 384 G HN 0.106 nan 8.290 nan 0.000 0.497 385 K N -1.070 119.322 120.400 -0.013 0.000 2.428 385 K HA 0.781 5.101 4.320 0.000 0.000 0.279 385 K C -0.942 175.709 176.600 0.084 0.000 1.041 385 K CA -0.857 55.494 56.287 0.107 0.000 0.887 385 K CB 1.743 34.320 32.500 0.129 0.000 1.535 385 K HN 0.128 nan 8.250 nan 0.000 0.417 386 T N 2.884 117.527 114.554 0.149 0.000 2.921 386 T HA 0.392 4.742 4.350 0.000 0.000 0.297 386 T C -2.771 172.014 174.700 0.141 0.000 1.013 386 T CA -1.239 60.977 62.100 0.194 0.000 0.990 386 T CB 1.959 71.014 68.868 0.311 0.000 1.023 386 T HN 0.365 nan 8.240 nan 0.000 0.447 387 P HA 0.302 nan 4.420 nan 0.000 0.284 387 P C -0.940 176.315 177.300 -0.076 0.000 1.253 387 P CA -0.865 62.164 63.100 -0.118 0.000 0.800 387 P CB 0.901 32.398 31.700 -0.339 0.000 0.961 388 K N 2.511 122.841 120.400 -0.116 0.000 2.316 388 K HA 0.300 4.620 4.320 0.000 0.000 0.289 388 K C -0.746 175.796 176.600 -0.096 0.000 1.070 388 K CA -0.409 55.881 56.287 0.006 0.000 0.928 388 K CB -0.159 32.321 32.500 -0.035 0.000 1.039 388 K HN 0.187 nan 8.250 nan 0.000 0.480 389 F N 3.071 123.056 119.950 0.058 0.000 2.439 389 F HA 0.117 4.645 4.527 0.001 0.000 0.356 389 F C 0.585 176.318 175.800 -0.111 0.000 1.161 389 F CA -0.359 57.629 58.000 -0.020 0.000 1.151 389 F CB 0.600 39.577 39.000 -0.038 0.000 1.222 389 F HN 0.339 nan 8.300 nan 0.000 0.558 390 K N 5.410 125.810 120.400 0.002 0.000 2.245 390 K HA 0.151 4.471 4.320 0.000 0.000 0.281 390 K C -0.403 176.193 176.600 -0.007 0.000 1.079 390 K CA 0.055 56.336 56.287 -0.009 0.000 1.000 390 K CB 0.136 32.651 32.500 0.026 0.000 1.038 390 K HN 0.551 nan 8.250 nan 0.000 0.430 391 L N 6.193 127.329 121.223 -0.146 0.000 2.283 391 L HA 0.155 4.495 4.340 0.000 0.000 0.287 391 L C -1.516 175.361 176.870 0.013 0.000 1.073 391 L CA -1.919 52.810 54.840 -0.184 0.000 0.822 391 L CB 0.446 42.111 42.059 -0.656 0.000 1.186 391 L HN 0.331 nan 8.230 nan 0.000 0.436 392 P HA 0.080 nan 4.420 nan 0.000 0.235 392 P C -0.405 176.980 177.300 0.142 0.000 1.670 392 P CA 0.687 63.871 63.100 0.141 0.000 1.017 392 P CB 0.254 32.073 31.700 0.197 0.000 1.945 393 I N -0.244 120.401 120.570 0.125 0.000 2.947 393 I HA 0.216 4.386 4.170 0.000 0.000 0.301 393 I C -1.322 174.807 176.117 0.021 0.000 1.453 393 I CA -1.126 60.235 61.300 0.102 0.000 0.984 393 I CB 2.490 40.549 38.000 0.098 0.000 1.333 393 I HN -0.221 nan 8.210 nan 0.000 0.475 394 Q N 3.814 123.577 119.800 -0.061 0.000 2.314 394 Q HA 0.211 4.551 4.340 0.000 0.000 0.258 394 Q C 0.760 176.446 176.000 -0.523 0.000 0.954 394 Q CA 0.051 55.700 55.803 -0.256 0.000 0.890 394 Q CB 1.274 29.942 28.738 -0.116 0.000 1.210 394 Q HN 0.429 nan 8.270 nan 0.000 0.410 395 K N 1.814 121.623 120.400 -0.985 0.000 2.089 395 K HA -0.327 3.993 4.320 0.000 0.000 0.210 395 K C 1.344 177.744 176.600 -0.332 0.000 1.048 395 K CA 1.977 57.648 56.287 -1.027 0.000 0.926 395 K CB 0.247 32.337 32.500 -0.683 0.000 0.714 395 K HN 0.610 nan 8.250 nan 0.000 0.448 396 E N 0.001 120.066 120.200 -0.225 0.000 2.072 396 E HA -0.111 4.240 4.350 0.000 0.000 0.190 396 E C 1.683 178.246 176.600 -0.061 0.000 0.982 396 E CA 2.105 58.430 56.400 -0.124 0.000 0.803 396 E CB -0.338 29.302 29.700 -0.099 0.000 0.755 396 E HN 0.468 nan 8.360 nan 0.000 0.453 397 T N -2.649 111.912 114.554 0.013 0.000 2.977 397 T HA -0.148 4.202 4.350 0.000 0.000 0.271 397 T C 1.589 176.468 174.700 0.298 0.000 1.105 397 T CA 1.104 63.302 62.100 0.163 0.000 1.116 397 T CB -0.375 68.611 68.868 0.198 0.000 0.878 397 T HN 0.330 nan 8.240 nan 0.000 0.509 398 W N 1.014 122.309 121.300 -0.008 0.000 2.798 398 W HA 0.401 5.063 4.660 0.002 0.000 0.260 398 W C 1.931 178.415 176.519 -0.058 0.000 1.165 398 W CA -0.231 57.142 57.345 0.045 0.000 1.501 398 W CB 0.435 29.921 29.460 0.043 0.000 1.023 398 W HN -0.038 nan 8.180 nan 0.000 0.615 399 E N 0.111 120.343 120.200 0.052 0.000 2.455 399 E HA -0.143 4.208 4.350 0.000 0.000 0.202 399 E C 1.786 178.199 176.600 -0.311 0.000 1.045 399 E CA 1.695 57.965 56.400 -0.216 0.000 0.872 399 E CB -0.261 29.319 29.700 -0.199 0.000 0.792 399 E HN 0.452 nan 8.360 nan 0.000 0.542 400 T N -3.331 110.987 114.554 -0.393 0.000 3.010 400 T HA -0.061 4.289 4.350 0.000 0.000 0.252 400 T C 1.162 175.376 174.700 -0.810 0.000 1.047 400 T CA 0.265 61.913 62.100 -0.754 0.000 1.140 400 T CB -0.320 67.860 68.868 -1.146 0.000 0.885 400 T HN 0.210 nan 8.240 nan 0.000 0.464 401 W N 1.073 122.290 121.300 -0.139 0.000 2.190 401 W HA 0.470 5.130 4.660 -0.000 0.000 0.337 401 W C 1.125 177.403 176.519 -0.402 0.000 0.911 401 W CA -1.954 55.228 57.345 -0.272 0.000 1.925 401 W CB -0.442 28.898 29.460 -0.200 0.000 1.134 401 W HN 0.249 nan 8.180 nan 0.000 0.536 402 W N 2.049 122.998 121.300 -0.585 0.000 2.961 402 W HA 0.018 4.679 4.660 0.002 0.000 0.240 402 W C 0.786 176.974 176.519 -0.551 0.000 1.305 402 W CA 1.478 58.262 57.345 -0.936 0.000 1.465 402 W CB -1.466 26.873 29.460 -1.867 0.000 1.135 402 W HN 0.032 nan 8.180 nan 0.000 0.688 403 T N -1.839 112.021 114.554 -1.155 0.000 3.087 403 T HA -0.004 4.347 4.350 0.000 0.000 0.237 403 T C 1.382 175.849 174.700 -0.388 0.000 0.990 403 T CA 0.586 62.112 62.100 -0.956 0.000 1.160 403 T CB -0.671 67.748 68.868 -0.747 0.000 0.923 403 T HN -0.095 nan 8.240 nan 0.000 0.442 404 E N 1.118 121.088 120.200 -0.383 0.000 2.444 404 E HA -0.147 4.203 4.350 0.000 0.000 0.205 404 E C -0.023 176.279 176.600 -0.497 0.000 1.054 404 E CA 1.077 57.222 56.400 -0.425 0.000 0.873 404 E CB -0.284 29.057 29.700 -0.599 0.000 0.793 404 E HN 0.755 nan 8.360 nan 0.000 0.549 405 Y N -2.539 117.753 120.300 -0.013 0.000 2.830 405 Y HA 0.162 4.712 4.550 -0.000 0.000 0.255 405 Y C 0.121 176.007 175.900 -0.024 0.000 1.130 405 Y CA -1.197 56.891 58.100 -0.019 0.000 1.217 405 Y CB -0.217 38.228 38.460 -0.025 0.000 1.296 405 Y HN 0.050 nan 8.280 nan 0.000 0.571 406 W N 2.940 124.153 121.300 -0.145 0.000 2.417 406 W HA 0.486 5.145 4.660 -0.000 0.000 0.317 406 W C -0.751 175.676 176.519 -0.153 0.000 1.121 406 W CA -0.226 57.000 57.345 -0.198 0.000 1.208 406 W CB 1.275 30.515 29.460 -0.368 0.000 1.253 406 W HN 0.125 nan 8.180 nan 0.000 0.533 407 Q N 4.354 123.835 119.800 -0.532 0.000 2.805 407 Q HA 0.462 4.802 4.340 0.000 0.000 0.360 407 Q C -0.534 175.149 176.000 -0.528 0.000 0.832 407 Q CA -0.196 55.395 55.803 -0.354 0.000 1.020 407 Q CB 1.213 29.791 28.738 -0.266 0.000 1.444 407 Q HN 0.383 nan 8.270 nan 0.000 0.391 408 A N -0.138 122.302 122.820 -0.633 0.000 2.594 408 A HA 0.635 4.955 4.320 0.000 0.000 0.291 408 A C 0.200 177.649 177.584 -0.226 0.000 1.105 408 A CA -0.503 51.047 52.037 -0.811 0.000 0.694 408 A CB 1.406 19.178 19.000 -2.046 0.000 1.291 408 A HN 0.156 nan 8.150 nan 0.000 0.410 409 T N -1.813 112.687 114.554 -0.091 0.000 3.214 409 T HA 0.459 4.810 4.350 0.000 0.000 0.264 409 T C -0.460 174.503 174.700 0.438 0.000 1.012 409 T CA 0.348 62.589 62.100 0.235 0.000 0.901 409 T CB -1.022 68.023 68.868 0.295 0.000 1.070 409 T HN 1.249 nan 8.240 nan 0.000 0.561 410 W N 0.285 121.848 121.300 0.438 0.000 3.138 410 W HA 0.769 5.429 4.660 -0.001 0.000 0.331 410 W C -1.891 174.987 176.519 0.599 0.000 1.166 410 W CA -1.765 55.834 57.345 0.423 0.000 1.212 410 W CB 0.920 30.620 29.460 0.399 0.000 1.399 410 W HN -0.091 nan 8.180 nan 0.000 0.514 411 I N 4.821 125.703 120.570 0.520 0.000 2.439 411 I HA 0.313 4.483 4.170 0.000 0.000 0.285 411 I C -1.821 174.551 176.117 0.425 0.000 1.021 411 I CA -1.966 59.586 61.300 0.420 0.000 1.091 411 I CB 1.852 40.034 38.000 0.304 0.000 1.242 411 I HN 0.252 nan 8.210 nan 0.000 0.439 412 P HA 0.279 nan 4.420 nan 0.000 0.278 412 P C -0.616 176.816 177.300 0.219 0.000 1.266 412 P CA -0.404 62.978 63.100 0.470 0.000 0.807 412 P CB 1.514 33.614 31.700 0.667 0.000 1.094 413 E N 0.011 120.306 120.200 0.158 0.000 2.283 413 E HA 0.406 4.756 4.350 0.000 0.000 0.271 413 E C -0.683 175.968 176.600 0.085 0.000 1.031 413 E CA 0.014 56.350 56.400 -0.107 0.000 0.868 413 E CB 0.789 30.465 29.700 -0.040 0.000 1.094 413 E HN 0.501 nan 8.360 nan 0.000 0.401 414 W N 1.103 122.382 121.300 -0.036 0.000 2.923 414 W HA 0.504 5.163 4.660 -0.001 0.000 0.373 414 W C -0.906 175.443 176.519 -0.284 0.000 1.205 414 W CA -0.814 56.448 57.345 -0.137 0.000 1.180 414 W CB 0.044 29.364 29.460 -0.232 0.000 1.477 414 W HN 0.516 nan 8.180 nan 0.000 0.581 415 E N -0.172 120.040 120.200 0.020 0.000 2.442 415 E HA 0.748 5.098 4.350 0.000 0.000 0.271 415 E C -1.918 174.431 176.600 -0.419 0.000 1.002 415 E CA -1.096 55.222 56.400 -0.137 0.000 0.864 415 E CB 2.434 32.126 29.700 -0.012 0.000 1.573 415 E HN 0.295 nan 8.360 nan 0.000 0.456 416 F N 0.497 120.477 119.950 0.051 0.000 2.518 416 F HA 0.499 5.025 4.527 -0.001 0.000 0.323 416 F C -0.487 175.321 175.800 0.014 0.000 1.129 416 F CA -0.932 57.065 58.000 -0.006 0.000 0.920 416 F CB 2.223 41.209 39.000 -0.023 0.000 1.160 416 F HN 0.276 nan 8.300 nan 0.000 0.440 417 V N 4.071 124.106 119.914 0.202 0.000 2.630 417 V HA 0.477 4.597 4.120 0.000 0.000 0.305 417 V C -0.252 175.923 176.094 0.136 0.000 1.046 417 V CA -0.349 62.036 62.300 0.142 0.000 0.934 417 V CB 1.850 33.742 31.823 0.114 0.000 1.003 417 V HN 0.865 nan 8.190 nan 0.000 0.451 418 N N 1.623 120.388 118.700 0.109 0.000 2.145 418 N HA 0.050 4.790 4.740 0.000 0.000 0.219 418 N C 0.247 175.808 175.510 0.084 0.000 1.266 418 N CA 0.363 53.465 53.050 0.087 0.000 0.902 418 N CB 0.741 39.267 38.487 0.064 0.000 1.078 418 N HN 0.800 nan 8.380 nan 0.000 0.513 419 T N 1.739 116.353 114.554 0.099 0.000 2.817 419 T HA 0.248 4.599 4.350 0.000 0.000 0.295 419 T C -1.919 172.849 174.700 0.112 0.000 0.958 419 T CA -0.948 61.217 62.100 0.109 0.000 1.157 419 T CB 0.891 69.838 68.868 0.131 0.000 0.898 419 T HN 0.011 nan 8.240 nan 0.000 0.536 420 P HA 0.361 nan 4.420 nan 0.000 0.276 420 P C -2.432 174.898 177.300 0.050 0.000 1.244 420 P CA -1.516 61.614 63.100 0.051 0.000 0.801 420 P CB -0.122 31.595 31.700 0.029 0.000 1.006 421 P HA 0.171 nan 4.420 nan 0.000 0.274 421 P C 0.522 177.685 177.300 -0.229 0.000 1.231 421 P CA -0.225 62.668 63.100 -0.345 0.000 0.790 421 P CB 1.308 32.638 31.700 -0.616 0.000 0.951 422 L N 1.558 122.646 121.223 -0.226 0.000 2.327 422 L HA 0.083 4.423 4.340 0.000 0.000 0.192 422 L C 1.031 177.865 176.870 -0.061 0.000 1.158 422 L CA 0.373 55.241 54.840 0.047 0.000 0.813 422 L CB -0.881 41.479 42.059 0.501 0.000 1.021 422 L HN 0.147 nan 8.230 nan 0.000 0.481 423 V N -0.523 119.337 119.914 -0.091 0.000 2.267 423 V HA 0.232 4.352 4.120 0.000 0.000 0.254 423 V C 0.628 176.591 176.094 -0.218 0.000 1.144 423 V CA -0.782 61.496 62.300 -0.038 0.000 0.992 423 V CB -0.070 31.867 31.823 0.189 0.000 1.199 423 V HN 0.510 nan 8.190 nan 0.000 0.493 424 K N 3.138 123.421 120.400 -0.196 0.000 3.010 424 K HA -0.221 4.099 4.320 0.000 0.000 0.255 424 K C -0.070 176.355 176.600 -0.293 0.000 0.929 424 K CA 0.745 56.919 56.287 -0.188 0.000 0.687 424 K CB -1.012 31.436 32.500 -0.086 0.000 1.304 424 K HN 0.861 nan 8.250 nan 0.000 0.479 425 L N -0.922 119.957 121.223 -0.573 0.000 2.883 425 L HA -0.232 4.108 4.340 0.000 0.000 0.559 425 L C 1.344 177.896 176.870 -0.531 0.000 1.001 425 L CA 0.938 55.324 54.840 -0.757 0.000 1.291 425 L CB -0.302 41.542 42.059 -0.360 0.000 1.557 425 L HN 0.449 nan 8.230 nan 0.000 0.761 426 W N 2.070 123.236 121.300 -0.224 0.000 2.538 426 W HA -0.136 4.526 4.660 0.003 0.000 0.254 426 W C 1.118 177.395 176.519 -0.403 0.000 1.249 426 W CA 0.378 57.506 57.345 -0.362 0.000 1.253 426 W CB -0.705 28.432 29.460 -0.539 0.000 1.130 426 W HN 0.636 nan 8.180 nan 0.000 0.618 427 Y N 0.363 120.763 120.300 0.165 0.000 2.543 427 Y HA 0.056 4.606 4.550 -0.000 0.000 0.249 427 Y C 1.950 177.882 175.900 0.053 0.000 1.081 427 Y CA 0.044 58.215 58.100 0.118 0.000 1.336 427 Y CB -1.277 37.253 38.460 0.116 0.000 1.208 427 Y HN -0.264 nan 8.280 nan 0.000 0.502 428 Q N 0.000 119.931 119.800 0.219 0.000 2.315 428 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 428 Q CA 0.000 55.865 55.803 0.104 0.000 1.022 428 Q CB 0.000 28.763 28.738 0.041 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481