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_F 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 0.000 174.657 174.600 0.095 0.000 1.055 3 S CA 0.000 58.251 58.200 0.085 0.000 1.107 3 S CB 0.000 63.257 63.200 0.096 0.000 0.593 4 P HA 0.662 nan 4.420 nan 0.000 0.306 4 P C 0.325 177.669 177.300 0.074 0.000 1.415 4 P CA -0.654 62.500 63.100 0.090 0.000 0.959 4 P CB 1.548 33.300 31.700 0.087 0.000 1.003 5 I N 1.300 121.915 120.570 0.074 0.000 2.315 5 I HA 0.079 4.249 4.170 0.000 0.000 0.233 5 I C 0.678 176.828 176.117 0.055 0.000 1.067 5 I CA 0.963 62.297 61.300 0.058 0.000 1.376 5 I CB 0.078 38.107 38.000 0.049 0.000 1.143 5 I HN 0.373 nan 8.210 nan 0.000 0.421 6 E N -0.548 119.689 120.200 0.062 0.000 2.388 6 E HA 0.176 4.526 4.350 0.000 0.000 0.280 6 E C -1.106 175.535 176.600 0.069 0.000 1.019 6 E CA -0.568 55.867 56.400 0.058 0.000 0.806 6 E CB 1.715 31.442 29.700 0.046 0.000 1.246 6 E HN 0.156 nan 8.360 nan 0.000 0.443 7 T N -1.177 113.416 114.554 0.065 0.000 2.738 7 T HA 0.287 4.637 4.350 0.000 0.000 0.293 7 T C 0.289 175.022 174.700 0.055 0.000 0.913 7 T CA -0.675 61.467 62.100 0.069 0.000 1.103 7 T CB 0.050 68.958 68.868 0.066 0.000 0.880 7 T HN 0.143 nan 8.240 nan 0.000 0.526 8 V N 7.663 127.613 119.914 0.061 0.000 2.479 8 V HA 0.250 4.370 4.120 0.000 0.000 0.281 8 V C -1.495 174.597 176.094 -0.004 0.000 1.031 8 V CA -1.625 60.711 62.300 0.059 0.000 1.038 8 V CB 0.185 32.078 31.823 0.116 0.000 0.981 8 V HN 0.832 nan 8.190 nan 0.000 0.478 9 P HA 0.135 nan 4.420 nan 0.000 0.276 9 P C -0.578 176.631 177.300 -0.152 0.000 1.264 9 P CA -0.014 63.055 63.100 -0.052 0.000 0.769 9 P CB 0.919 32.617 31.700 -0.003 0.000 0.840 10 V N 5.309 125.008 119.914 -0.359 0.000 2.339 10 V HA 0.150 4.271 4.120 0.000 0.000 0.261 10 V C 1.081 176.969 176.094 -0.343 0.000 1.058 10 V CA -0.371 61.507 62.300 -0.703 0.000 0.897 10 V CB 0.204 31.299 31.823 -1.213 0.000 1.052 10 V HN 0.488 nan 8.190 nan 0.000 0.480 11 K N 4.935 125.227 120.400 -0.180 0.000 2.220 11 K HA 0.284 4.604 4.320 0.000 0.000 0.283 11 K C -0.393 176.181 176.600 -0.044 0.000 1.098 11 K CA -0.515 55.740 56.287 -0.054 0.000 0.928 11 K CB 0.337 32.850 32.500 0.022 0.000 1.214 11 K HN 0.551 nan 8.250 nan 0.000 0.442 12 L N 3.577 124.765 121.223 -0.059 0.000 2.439 12 L HA 0.200 4.540 4.340 0.000 0.000 0.261 12 L C -0.160 176.706 176.870 -0.006 0.000 1.153 12 L CA 0.126 54.944 54.840 -0.036 0.000 0.808 12 L CB 0.697 42.708 42.059 -0.080 0.000 1.126 12 L HN 0.466 nan 8.230 nan 0.000 0.460 13 K N 3.535 123.937 120.400 0.004 0.000 2.448 13 K HA 0.163 4.483 4.320 0.000 0.000 0.278 13 K C -2.216 174.399 176.600 0.025 0.000 1.009 13 K CA -1.292 55.001 56.287 0.010 0.000 0.995 13 K CB 0.043 32.547 32.500 0.007 0.000 0.917 13 K HN 0.450 nan 8.250 nan 0.000 0.481 14 P HA -0.036 nan 4.420 nan 0.000 0.267 14 P C 0.624 177.946 177.300 0.036 0.000 1.205 14 P CA 0.632 63.751 63.100 0.030 0.000 0.765 14 P CB 0.727 32.441 31.700 0.022 0.000 0.828 15 G N 2.121 110.948 108.800 0.046 0.000 2.304 15 G HA2 -0.333 3.628 3.960 0.000 0.000 0.252 15 G HA3 -0.333 3.628 3.960 0.000 0.000 0.252 15 G C 0.250 175.185 174.900 0.059 0.000 1.014 15 G CA 0.252 45.380 45.100 0.047 0.000 0.619 15 G HN 0.564 nan 8.290 nan 0.000 0.525 16 M N 2.097 121.735 119.600 0.064 0.000 2.219 16 M HA 0.578 5.058 4.480 0.000 0.000 0.353 16 M C 0.292 176.666 176.300 0.124 0.000 1.304 16 M CA -0.127 55.219 55.300 0.077 0.000 1.115 16 M CB 0.735 33.372 32.600 0.063 0.000 1.664 16 M HN 0.337 nan 8.290 nan 0.000 0.459 17 D N 2.444 122.923 120.400 0.132 0.000 2.529 17 D HA 0.675 5.316 4.640 0.000 0.000 0.273 17 D C 0.324 176.756 176.300 0.221 0.000 1.197 17 D CA -0.057 54.058 54.000 0.191 0.000 1.070 17 D CB 0.980 41.870 40.800 0.150 0.000 1.134 17 D HN 0.705 nan 8.370 nan 0.000 0.590 18 G N -0.937 108.017 108.800 0.257 0.000 2.509 18 G HA2 0.439 4.399 3.960 0.000 0.000 0.269 18 G HA3 0.439 4.399 3.960 0.000 0.000 0.269 18 G C -2.315 172.701 174.900 0.194 0.000 1.416 18 G CA -0.768 44.402 45.100 0.115 0.000 1.052 18 G HN 0.491 nan 8.290 nan 0.000 0.542 19 P HA 0.431 nan 4.420 nan 0.000 0.292 19 P C -0.924 176.462 177.300 0.144 0.000 1.283 19 P CA -0.542 62.638 63.100 0.134 0.000 0.835 19 P CB 2.365 34.119 31.700 0.090 0.000 1.017 20 K N 1.336 121.786 120.400 0.083 0.000 2.676 20 K HA 0.216 4.537 4.320 0.000 0.000 0.205 20 K C -0.543 176.079 176.600 0.036 0.000 1.084 20 K CA -0.232 56.083 56.287 0.046 0.000 1.057 20 K CB -0.109 32.401 32.500 0.017 0.000 0.791 20 K HN 0.135 nan 8.250 nan 0.000 0.484 21 V N 2.372 122.313 119.914 0.046 0.000 2.540 21 V HA -0.013 4.107 4.120 0.000 0.000 0.297 21 V C 0.659 176.792 176.094 0.065 0.000 1.024 21 V CA 0.223 62.558 62.300 0.057 0.000 1.105 21 V CB 0.413 32.276 31.823 0.066 0.000 0.938 21 V HN 0.254 nan 8.190 nan 0.000 0.482 22 K N 3.011 123.458 120.400 0.079 0.000 2.120 22 K HA 0.336 4.656 4.320 0.000 0.000 0.245 22 K C -0.061 176.609 176.600 0.117 0.000 1.024 22 K CA -0.592 55.741 56.287 0.076 0.000 0.906 22 K CB 0.483 33.024 32.500 0.068 0.000 1.051 22 K HN 0.655 nan 8.250 nan 0.000 0.491 23 Q N 2.219 122.056 119.800 0.061 0.000 2.278 23 Q HA 0.130 4.470 4.340 0.000 0.000 0.257 23 Q C -1.468 174.570 176.000 0.063 0.000 0.928 23 Q CA -0.583 55.206 55.803 -0.022 0.000 0.932 23 Q CB 0.653 29.346 28.738 -0.075 0.000 1.221 23 Q HN 0.481 nan 8.270 nan 0.000 0.434 24 W N 3.907 125.212 121.300 0.008 0.000 2.338 24 W HA 0.522 5.182 4.660 0.001 0.000 0.307 24 W C -2.496 174.015 176.519 -0.013 0.000 1.167 24 W CA -2.723 54.615 57.345 -0.011 0.000 1.208 24 W CB -0.413 29.032 29.460 -0.024 0.000 1.228 24 W HN 0.526 nan 8.180 nan 0.000 0.499 25 P HA -0.106 nan 4.420 nan 0.000 0.268 25 P C -0.636 176.738 177.300 0.124 0.000 1.171 25 P CA 0.784 63.946 63.100 0.103 0.000 0.761 25 P CB 0.446 32.193 31.700 0.079 0.000 0.786 26 L N 0.427 121.671 121.223 0.035 0.000 2.359 26 L HA 0.561 4.901 4.340 0.000 0.000 0.256 26 L C 0.800 177.670 176.870 -0.000 0.000 1.026 26 L CA -0.576 54.278 54.840 0.023 0.000 0.828 26 L CB 1.631 43.660 42.059 -0.049 0.000 1.406 26 L HN 0.343 nan 8.230 nan 0.000 0.413 27 T N -3.902 110.648 114.554 -0.005 0.000 2.770 27 T HA 0.267 4.617 4.350 0.000 0.000 0.281 27 T C 0.705 175.372 174.700 -0.055 0.000 0.981 27 T CA -0.418 61.672 62.100 -0.017 0.000 0.955 27 T CB 0.718 69.587 68.868 0.002 0.000 1.060 27 T HN 0.635 nan 8.240 nan 0.000 0.531 28 E N 0.208 120.378 120.200 -0.050 0.000 2.285 28 E HA -0.098 4.253 4.350 0.000 0.000 0.194 28 E C 2.138 178.662 176.600 -0.127 0.000 0.997 28 E CA 0.755 57.111 56.400 -0.074 0.000 0.845 28 E CB 0.071 29.745 29.700 -0.043 0.000 0.782 28 E HN 0.800 nan 8.360 nan 0.000 0.491 29 E N 1.190 121.318 120.200 -0.120 0.000 2.152 29 E HA -0.173 4.177 4.350 0.000 0.000 0.192 29 E C 1.642 177.916 176.600 -0.543 0.000 0.983 29 E CA 0.884 57.170 56.400 -0.192 0.000 0.818 29 E CB -0.117 29.577 29.700 -0.010 0.000 0.758 29 E HN 0.240 nan 8.360 nan 0.000 0.467 30 K N 0.317 120.471 120.400 -0.409 0.000 2.313 30 K HA 0.176 4.497 4.320 0.000 0.000 0.197 30 K C 2.211 178.597 176.600 -0.358 0.000 1.061 30 K CA -0.027 55.960 56.287 -0.499 0.000 0.980 30 K CB 0.198 32.575 32.500 -0.206 0.000 0.888 30 K HN -0.020 nan 8.250 nan 0.000 0.502 31 I N 2.727 123.159 120.570 -0.231 0.000 2.179 31 I HA -0.206 3.965 4.170 0.000 0.000 0.242 31 I C 2.025 178.036 176.117 -0.176 0.000 1.088 31 I CA 1.622 62.826 61.300 -0.161 0.000 1.357 31 I CB -0.443 37.495 38.000 -0.104 0.000 1.051 31 I HN 0.242 nan 8.210 nan 0.000 0.409 32 K N 0.616 120.893 120.400 -0.206 0.000 2.217 32 K HA -0.018 4.302 4.320 0.000 0.000 0.202 32 K C 1.954 178.407 176.600 -0.246 0.000 1.051 32 K CA 1.090 57.267 56.287 -0.182 0.000 0.952 32 K CB -0.049 32.361 32.500 -0.150 0.000 0.736 32 K HN 0.259 nan 8.250 nan 0.000 0.453 33 A N 0.482 123.040 122.820 -0.436 0.000 2.169 33 A HA -0.008 4.312 4.320 0.000 0.000 0.212 33 A C 1.811 179.213 177.584 -0.303 0.000 1.153 33 A CA 0.610 52.312 52.037 -0.558 0.000 0.756 33 A CB -0.040 18.086 19.000 -1.457 0.000 0.813 33 A HN 0.178 nan 8.150 nan 0.000 0.471 34 L N -1.175 119.910 121.223 -0.231 0.000 2.316 34 L HA 0.111 4.451 4.340 0.000 0.000 0.207 34 L C 2.232 179.055 176.870 -0.079 0.000 1.070 34 L CA 1.110 55.870 54.840 -0.133 0.000 0.820 34 L CB -0.209 41.783 42.059 -0.112 0.000 0.992 34 L HN 0.084 nan 8.230 nan 0.000 0.466 35 V N 0.173 120.048 119.914 -0.065 0.000 2.231 35 V HA -0.367 3.753 4.120 0.000 0.000 0.248 35 V C 2.553 178.625 176.094 -0.037 0.000 1.054 35 V CA 2.383 64.670 62.300 -0.022 0.000 1.015 35 V CB -0.649 31.161 31.823 -0.022 0.000 0.638 35 V HN 0.553 nan 8.190 nan 0.000 0.444 36 E N -0.518 119.653 120.200 -0.049 0.000 2.038 36 E HA -0.271 4.080 4.350 0.000 0.000 0.195 36 E C 2.200 178.765 176.600 -0.060 0.000 1.000 36 E CA 1.792 58.166 56.400 -0.043 0.000 0.803 36 E CB -0.226 29.455 29.700 -0.033 0.000 0.750 36 E HN 0.497 nan 8.360 nan 0.000 0.448 37 I N 0.621 121.154 120.570 -0.062 0.000 2.290 37 I HA -0.383 3.787 4.170 0.000 0.000 0.253 37 I C 2.157 178.202 176.117 -0.121 0.000 1.112 37 I CA 1.301 62.560 61.300 -0.069 0.000 1.377 37 I CB -0.090 37.878 38.000 -0.054 0.000 1.060 37 I HN 0.322 nan 8.210 nan 0.000 0.428 38 C N -1.011 118.201 119.300 -0.146 0.000 2.505 38 C HA -0.063 4.397 4.460 0.000 0.000 0.279 38 C C 2.702 177.535 174.990 -0.262 0.000 1.316 38 C CA 1.142 59.998 59.018 -0.269 0.000 1.720 38 C CB -1.228 26.281 27.740 -0.385 0.000 2.050 38 C HN 0.495 nan 8.230 nan 0.000 0.493 39 T N 0.938 115.404 114.554 -0.145 0.000 2.720 39 T HA -0.225 4.125 4.350 0.000 0.000 0.268 39 T C 1.671 176.317 174.700 -0.090 0.000 1.037 39 T CA 1.982 64.033 62.100 -0.082 0.000 1.144 39 T CB -0.328 68.522 68.868 -0.030 0.000 0.864 39 T HN 0.565 nan 8.240 nan 0.000 0.444 40 E N 0.909 121.052 120.200 -0.095 0.000 2.110 40 E HA -0.024 4.326 4.350 0.000 0.000 0.193 40 E C 1.999 178.522 176.600 -0.128 0.000 0.988 40 E CA 1.165 57.511 56.400 -0.090 0.000 0.804 40 E CB -0.285 29.368 29.700 -0.078 0.000 0.745 40 E HN 0.495 nan 8.360 nan 0.000 0.458 41 M N -0.386 119.104 119.600 -0.184 0.000 2.447 41 M HA -0.002 4.478 4.480 0.000 0.000 0.264 41 M C 2.120 178.300 176.300 -0.200 0.000 1.095 41 M CA 0.865 56.020 55.300 -0.242 0.000 1.125 41 M CB 0.098 32.499 32.600 -0.331 0.000 1.389 41 M HN 0.130 nan 8.290 nan 0.000 0.459 42 E N 1.033 121.131 120.200 -0.169 0.000 2.051 42 E HA -0.191 4.159 4.350 0.000 0.000 0.189 42 E C 1.979 178.545 176.600 -0.058 0.000 0.979 42 E CA 0.955 57.294 56.400 -0.101 0.000 0.803 42 E CB 0.169 29.841 29.700 -0.047 0.000 0.761 42 E HN 0.338 nan 8.360 nan 0.000 0.451 43 K N 0.653 121.020 120.400 -0.056 0.000 2.057 43 K HA -0.157 4.163 4.320 0.000 0.000 0.207 43 K C 1.452 178.029 176.600 -0.038 0.000 1.049 43 K CA 1.538 57.804 56.287 -0.037 0.000 0.931 43 K CB 0.059 32.539 32.500 -0.033 0.000 0.714 43 K HN 0.095 nan 8.250 nan 0.000 0.440 44 E N -0.615 119.550 120.200 -0.059 0.000 2.494 44 E HA 0.028 4.379 4.350 0.000 0.000 0.193 44 E C 0.355 176.928 176.600 -0.045 0.000 1.074 44 E CA 0.283 56.653 56.400 -0.051 0.000 0.867 44 E CB 0.212 29.870 29.700 -0.071 0.000 0.924 44 E HN 0.591 nan 8.360 nan 0.000 0.502 45 G N 2.019 110.791 108.800 -0.046 0.000 2.249 45 G HA2 -0.362 3.598 3.960 0.000 0.000 0.273 45 G HA3 -0.362 3.598 3.960 0.000 0.000 0.273 45 G C 0.743 175.621 174.900 -0.037 0.000 1.036 45 G CA 0.907 45.989 45.100 -0.030 0.000 0.824 45 G HN 0.285 nan 8.290 nan 0.000 0.504 46 K N -0.860 119.483 120.400 -0.094 0.000 2.166 46 K HA 0.313 4.633 4.320 0.000 0.000 0.201 46 K C 1.275 177.782 176.600 -0.155 0.000 1.052 46 K CA 1.255 57.471 56.287 -0.118 0.000 0.969 46 K CB 0.223 32.568 32.500 -0.258 0.000 0.761 46 K HN 0.783 nan 8.250 nan 0.000 0.459 47 I N -2.368 118.086 120.570 -0.194 0.000 2.608 47 I HA 0.382 4.552 4.170 0.000 0.000 0.295 47 I C -0.512 175.571 176.117 -0.057 0.000 1.049 47 I CA -0.782 60.403 61.300 -0.192 0.000 1.063 47 I CB 2.471 40.266 38.000 -0.341 0.000 1.248 47 I HN -0.258 nan 8.210 nan 0.000 0.424 48 S N 3.030 118.737 115.700 0.012 0.000 2.745 48 S HA 0.554 5.025 4.470 0.000 0.000 0.292 48 S C -0.585 174.091 174.600 0.126 0.000 1.127 48 S CA -0.884 57.348 58.200 0.054 0.000 1.007 48 S CB 1.265 64.484 63.200 0.032 0.000 1.165 48 S HN 0.699 nan 8.310 nan 0.000 0.544 49 K N 0.870 121.293 120.400 0.039 0.000 2.345 49 K HA 0.582 4.902 4.320 0.000 0.000 0.255 49 K C -1.281 175.244 176.600 -0.125 0.000 0.934 49 K CA -0.603 55.624 56.287 -0.100 0.000 0.801 49 K CB 0.486 32.884 32.500 -0.170 0.000 1.137 49 K HN 0.530 nan 8.250 nan 0.000 0.424 50 I N 0.263 120.727 120.570 -0.176 0.000 3.436 50 I HA 0.754 4.924 4.170 0.000 0.000 0.300 50 I C 0.274 176.300 176.117 -0.151 0.000 1.131 50 I CA -0.816 60.408 61.300 -0.126 0.000 1.001 50 I CB 1.345 39.297 38.000 -0.081 0.000 1.305 50 I HN 0.609 nan 8.210 nan 0.000 0.494 51 G N -0.640 108.093 108.800 -0.112 0.000 3.217 51 G HA2 0.623 4.583 3.960 0.000 0.000 0.213 51 G HA3 0.623 4.583 3.960 0.000 0.000 0.213 51 G C -2.301 172.540 174.900 -0.098 0.000 1.294 51 G CA -0.906 44.128 45.100 -0.110 0.000 0.987 51 G HN 0.565 nan 8.290 nan 0.000 0.584 52 P HA 0.006 nan 4.420 nan 0.000 0.237 52 P C 0.945 178.190 177.300 -0.091 0.000 1.178 52 P CA 0.771 63.819 63.100 -0.088 0.000 0.766 52 P CB 0.123 31.776 31.700 -0.079 0.000 0.876 53 E N -0.016 120.135 120.200 -0.081 0.000 2.267 53 E HA -0.170 4.181 4.350 0.000 0.000 0.197 53 E C 0.715 177.256 176.600 -0.099 0.000 0.998 53 E CA 0.407 56.760 56.400 -0.079 0.000 0.830 53 E CB -0.832 28.832 29.700 -0.059 0.000 0.751 53 E HN 0.162 nan 8.360 nan 0.000 0.491 54 N N 2.300 120.941 118.700 -0.097 0.000 2.415 54 N HA 0.060 4.801 4.740 0.000 0.000 0.246 54 N C -2.156 173.225 175.510 -0.214 0.000 1.078 54 N CA -2.086 50.899 53.050 -0.108 0.000 0.942 54 N CB 0.952 39.420 38.487 -0.031 0.000 1.140 54 N HN -0.063 nan 8.380 nan 0.000 0.501 55 P HA 0.106 nan 4.420 nan 0.000 0.237 55 P C -1.347 175.379 177.300 -0.957 0.000 1.723 55 P CA 0.208 62.924 63.100 -0.640 0.000 0.882 55 P CB -0.409 30.868 31.700 -0.706 0.000 1.810 56 Y N -0.787 119.434 120.300 -0.132 0.000 2.609 56 Y HA 0.526 5.076 4.550 0.000 0.000 0.336 56 Y C 0.182 176.039 175.900 -0.071 0.000 1.129 56 Y CA -0.892 57.135 58.100 -0.123 0.000 1.040 56 Y CB 1.509 39.858 38.460 -0.185 0.000 1.310 56 Y HN -0.054 nan 8.280 nan 0.000 0.460 57 N N -1.030 117.746 118.700 0.128 0.000 3.179 57 N HA 0.812 5.552 4.740 0.000 0.000 0.250 57 N C -2.015 173.518 175.510 0.038 0.000 1.507 57 N CA -0.454 52.639 53.050 0.072 0.000 0.883 57 N CB 2.306 40.814 38.487 0.036 0.000 1.435 57 N HN 0.627 nan 8.380 nan 0.000 0.532 58 T N 0.804 115.366 114.554 0.012 0.000 3.168 58 T HA 0.379 4.730 4.350 0.000 0.000 0.373 58 T C -3.092 171.579 174.700 -0.048 0.000 1.681 58 T CA -0.489 61.564 62.100 -0.078 0.000 1.135 58 T CB 1.966 70.639 68.868 -0.325 0.000 1.477 58 T HN 0.455 nan 8.240 nan 0.000 0.480 59 P HA 0.596 nan 4.420 nan 0.000 0.276 59 P C -0.989 176.228 177.300 -0.140 0.000 1.252 59 P CA -0.501 62.525 63.100 -0.123 0.000 0.802 59 P CB 1.026 32.650 31.700 -0.126 0.000 1.035 60 V N -1.386 118.383 119.914 -0.241 0.000 3.007 60 V HA 0.883 5.004 4.120 0.000 0.000 0.311 60 V C -0.923 175.089 176.094 -0.136 0.000 1.120 60 V CA -0.979 61.216 62.300 -0.175 0.000 0.980 60 V CB 1.617 33.258 31.823 -0.304 0.000 1.033 60 V HN 0.658 nan 8.190 nan 0.000 0.429 61 F N 0.483 120.248 119.950 -0.308 0.000 2.693 61 F HA 1.000 5.527 4.527 0.000 0.000 0.309 61 F C -0.396 175.340 175.800 -0.106 0.000 1.129 61 F CA -1.140 56.708 58.000 -0.252 0.000 0.948 61 F CB 1.011 39.872 39.000 -0.232 0.000 1.315 61 F HN 0.941 nan 8.300 nan 0.000 0.447 62 A N 2.893 125.717 122.820 0.007 0.000 2.290 62 A HA 0.808 5.128 4.320 0.000 0.000 0.310 62 A C -0.572 177.152 177.584 0.232 0.000 1.202 62 A CA -0.640 51.423 52.037 0.043 0.000 0.837 62 A CB 0.228 19.229 19.000 0.002 0.000 1.139 62 A HN 0.642 nan 8.150 nan 0.000 0.509 63 I N 0.328 121.007 120.570 0.182 0.000 2.947 63 I HA 0.613 4.783 4.170 0.000 0.000 0.314 63 I C 0.175 176.360 176.117 0.113 0.000 1.028 63 I CA -0.900 60.496 61.300 0.161 0.000 1.077 63 I CB 1.387 39.410 38.000 0.038 0.000 1.274 63 I HN 0.767 nan 8.210 nan 0.000 0.485 64 K N 2.954 123.304 120.400 -0.084 0.000 2.896 64 K HA 0.215 4.535 4.320 0.000 0.000 0.228 64 K C -0.741 175.724 176.600 -0.225 0.000 1.151 64 K CA -0.495 55.567 56.287 -0.375 0.000 1.035 64 K CB 0.925 32.929 32.500 -0.827 0.000 1.263 64 K HN 0.733 nan 8.250 nan 0.000 0.574 65 K N 1.823 122.125 120.400 -0.163 0.000 2.286 65 K HA 0.089 4.409 4.320 0.000 0.000 0.256 65 K C -0.222 176.292 176.600 -0.144 0.000 0.999 65 K CA -0.488 55.719 56.287 -0.132 0.000 0.908 65 K CB 0.851 33.290 32.500 -0.102 0.000 0.981 65 K HN 0.182 nan 8.250 nan 0.000 0.500 66 K N 0.502 120.824 120.400 -0.131 0.000 2.355 66 K HA -0.136 4.184 4.320 0.000 0.000 0.270 66 K C 0.071 176.609 176.600 -0.103 0.000 1.003 66 K CA 0.728 56.946 56.287 -0.116 0.000 0.957 66 K CB 0.362 32.794 32.500 -0.114 0.000 0.939 66 K HN 0.907 nan 8.250 nan 0.000 0.482 67 D N 0.145 120.493 120.400 -0.087 0.000 2.830 67 D HA -0.205 4.435 4.640 0.000 0.000 0.209 67 D C -0.456 175.800 176.300 -0.074 0.000 1.315 67 D CA 1.587 55.547 54.000 -0.067 0.000 1.965 67 D CB -1.067 39.703 40.800 -0.050 0.000 1.343 67 D HN 0.489 nan 8.370 nan 0.000 0.542 68 S N -0.617 115.029 115.700 -0.089 0.000 2.565 68 S HA 0.490 4.960 4.470 0.000 0.000 0.274 68 S C 0.308 174.814 174.600 -0.157 0.000 1.309 68 S CA 0.689 58.831 58.200 -0.097 0.000 1.043 68 S CB 1.326 64.478 63.200 -0.080 0.000 0.939 68 S HN 0.215 nan 8.310 nan 0.000 0.504 69 T N 5.059 119.521 114.554 -0.153 0.000 3.316 69 T HA 0.310 4.660 4.350 0.000 0.000 0.253 69 T C -0.606 173.957 174.700 -0.229 0.000 0.995 69 T CA -0.432 61.532 62.100 -0.226 0.000 1.031 69 T CB -0.071 68.712 68.868 -0.142 0.000 1.125 69 T HN 0.303 nan 8.240 nan 0.000 0.539 70 K N 1.409 121.680 120.400 -0.216 0.000 2.449 70 K HA 0.218 4.539 4.320 0.000 0.000 0.257 70 K C -0.962 175.567 176.600 -0.118 0.000 0.989 70 K CA -0.553 55.669 56.287 -0.107 0.000 0.916 70 K CB 1.294 33.776 32.500 -0.031 0.000 1.136 70 K HN 0.403 nan 8.250 nan 0.000 0.439 71 W N 3.574 124.865 121.300 -0.015 0.000 2.591 71 W HA 0.065 4.725 4.660 0.000 0.000 0.330 71 W C 1.039 177.537 176.519 -0.035 0.000 1.435 71 W CA -0.044 57.285 57.345 -0.027 0.000 1.350 71 W CB 0.218 29.660 29.460 -0.031 0.000 1.434 71 W HN 0.129 nan 8.180 nan 0.000 0.553 72 R N 3.395 123.977 120.500 0.138 0.000 2.308 72 R HA 0.173 4.513 4.340 0.000 0.000 0.305 72 R C 0.228 176.543 176.300 0.025 0.000 1.053 72 R CA -0.795 55.348 56.100 0.072 0.000 0.957 72 R CB 1.010 31.329 30.300 0.033 0.000 1.022 72 R HN 0.325 nan 8.270 nan 0.000 0.461 73 K N 4.095 124.496 120.400 0.002 0.000 2.276 73 K HA 0.164 4.484 4.320 0.000 0.000 0.285 73 K C -1.142 175.368 176.600 -0.150 0.000 1.062 73 K CA -0.482 55.750 56.287 -0.092 0.000 0.918 73 K CB 0.648 33.105 32.500 -0.071 0.000 1.055 73 K HN 0.221 nan 8.250 nan 0.000 0.477 74 L N 5.561 126.567 121.223 -0.362 0.000 2.333 74 L HA 0.330 4.670 4.340 0.000 0.000 0.280 74 L C -1.260 175.397 176.870 -0.356 0.000 1.004 74 L CA -0.659 53.947 54.840 -0.391 0.000 0.820 74 L CB 1.923 43.609 42.059 -0.622 0.000 1.247 74 L HN 0.350 nan 8.230 nan 0.000 0.416 75 V N 3.912 123.753 119.914 -0.122 0.000 2.383 75 V HA 0.236 4.356 4.120 0.000 0.000 0.275 75 V C 0.272 176.374 176.094 0.013 0.000 1.036 75 V CA -0.690 61.533 62.300 -0.129 0.000 0.889 75 V CB 1.214 32.956 31.823 -0.136 0.000 0.985 75 V HN 0.648 nan 8.190 nan 0.000 0.459 76 D N 3.911 124.348 120.400 0.063 0.000 2.662 76 D HA 0.057 4.698 4.640 0.000 0.000 0.228 76 D C 0.634 176.946 176.300 0.020 0.000 1.093 76 D CA 0.085 54.205 54.000 0.201 0.000 1.075 76 D CB -0.106 40.898 40.800 0.339 0.000 1.122 76 D HN 0.510 nan 8.370 nan 0.000 0.475 77 F N 0.696 120.721 119.950 0.125 0.000 2.733 77 F HA 0.069 4.596 4.527 0.000 0.000 0.301 77 F C 2.230 178.110 175.800 0.134 0.000 1.240 77 F CA -0.011 58.052 58.000 0.104 0.000 1.432 77 F CB -0.172 38.884 39.000 0.094 0.000 1.089 77 F HN 0.169 nan 8.300 nan 0.000 0.533 78 R N 0.413 121.040 120.500 0.211 0.000 2.113 78 R HA -0.269 4.071 4.340 0.000 0.000 0.244 78 R C 2.093 178.470 176.300 0.129 0.000 1.142 78 R CA 2.152 58.332 56.100 0.132 0.000 0.953 78 R CB -0.096 30.194 30.300 -0.016 0.000 0.860 78 R HN 0.246 nan 8.270 nan 0.000 0.438 79 E N 0.178 120.442 120.200 0.107 0.000 2.122 79 E HA -0.075 4.275 4.350 0.000 0.000 0.190 79 E C 1.863 178.567 176.600 0.173 0.000 0.977 79 E CA 0.415 56.877 56.400 0.103 0.000 0.820 79 E CB -0.210 29.525 29.700 0.058 0.000 0.770 79 E HN 0.217 nan 8.360 nan 0.000 0.462 80 L N 0.982 122.349 121.223 0.239 0.000 2.083 80 L HA -0.185 4.155 4.340 0.000 0.000 0.209 80 L C 1.096 178.171 176.870 0.340 0.000 1.083 80 L CA 1.803 56.811 54.840 0.279 0.000 0.752 80 L CB -0.895 41.413 42.059 0.415 0.000 0.899 80 L HN 0.181 nan 8.230 nan 0.000 0.433 81 N N 0.795 119.769 118.700 0.456 0.000 2.104 81 N HA -0.214 4.526 4.740 0.000 0.000 0.190 81 N C 1.669 177.503 175.510 0.541 0.000 1.024 81 N CA 1.342 54.794 53.050 0.670 0.000 0.853 81 N CB -0.320 38.550 38.487 0.638 0.000 1.008 81 N HN 0.401 nan 8.380 nan 0.000 0.424 82 K N 0.384 120.991 120.400 0.345 0.000 2.211 82 K HA -0.058 4.262 4.320 0.000 0.000 0.204 82 K C 1.940 178.598 176.600 0.096 0.000 1.047 82 K CA 0.998 57.411 56.287 0.210 0.000 0.935 82 K CB 0.004 32.591 32.500 0.146 0.000 0.728 82 K HN 0.107 nan 8.250 nan 0.000 0.452 83 R N -0.104 120.468 120.500 0.121 0.000 2.100 83 R HA -0.030 4.310 4.340 0.000 0.000 0.220 83 R C 1.942 178.258 176.300 0.026 0.000 1.091 83 R CA 1.445 57.586 56.100 0.069 0.000 0.986 83 R CB -0.336 30.021 30.300 0.096 0.000 0.888 83 R HN 0.230 nan 8.270 nan 0.000 0.444 84 T N -0.925 113.678 114.554 0.082 0.000 3.272 84 T HA -0.018 4.333 4.350 0.000 0.000 0.250 84 T C 1.271 175.708 174.700 -0.438 0.000 1.082 84 T CA -0.102 62.030 62.100 0.052 0.000 0.968 84 T CB 0.014 69.135 68.868 0.422 0.000 1.015 84 T HN 0.367 nan 8.240 nan 0.000 0.563 85 Q N 0.743 120.151 119.800 -0.653 0.000 2.500 85 Q HA -0.050 4.290 4.340 0.000 0.000 0.213 85 Q C 0.614 176.135 176.000 -0.798 0.000 0.974 85 Q CA 1.266 56.268 55.803 -1.335 0.000 0.918 85 Q CB -0.322 27.958 28.738 -0.763 0.000 0.980 85 Q HN 0.382 nan 8.270 nan 0.000 0.505 86 D N -0.680 119.486 120.400 -0.390 0.000 2.360 86 D HA 0.068 4.709 4.640 0.000 0.000 0.210 86 D C 0.572 176.817 176.300 -0.091 0.000 1.047 86 D CA 0.186 54.073 54.000 -0.188 0.000 0.854 86 D CB 0.171 40.919 40.800 -0.086 0.000 0.936 86 D HN 0.292 nan 8.370 nan 0.000 0.514 87 F N 0.409 120.188 119.950 -0.285 0.000 2.202 87 F HA 0.089 4.616 4.527 0.000 0.000 0.279 87 F C 1.118 176.872 175.800 -0.076 0.000 1.077 87 F CA 0.451 58.361 58.000 -0.149 0.000 1.193 87 F CB -0.518 38.432 39.000 -0.083 0.000 1.090 87 F HN 0.094 nan 8.300 nan 0.000 0.516 88 W N 1.082 122.254 121.300 -0.214 0.000 3.391 88 W HA 0.165 4.825 4.660 0.000 0.000 0.275 88 W C 0.808 177.202 176.519 -0.207 0.000 1.318 88 W CA 0.614 57.737 57.345 -0.371 0.000 1.665 88 W CB -0.725 28.556 29.460 -0.297 0.000 1.078 88 W HN 0.384 nan 8.180 nan 0.000 0.732 89 E N 0.105 120.380 120.200 0.125 0.000 2.535 89 E HA -0.037 4.313 4.350 0.000 0.000 0.216 89 E C 1.418 178.042 176.600 0.040 0.000 0.845 89 E CA 0.239 56.760 56.400 0.202 0.000 1.306 89 E CB 0.373 30.168 29.700 0.157 0.000 1.291 89 E HN 0.078 nan 8.360 nan 0.000 0.635 90 V N 0.779 120.664 119.914 -0.049 0.000 2.721 90 V HA -0.001 4.119 4.120 0.000 0.000 0.236 90 V C 2.016 178.074 176.094 -0.060 0.000 1.116 90 V CA 0.873 63.148 62.300 -0.042 0.000 1.148 90 V CB -0.079 31.717 31.823 -0.046 0.000 0.886 90 V HN 0.104 nan 8.190 nan 0.000 0.490 91 Q N -0.035 119.704 119.800 -0.102 0.000 2.020 91 Q HA 0.038 4.378 4.340 0.000 0.000 0.198 91 Q C 0.350 176.248 176.000 -0.170 0.000 0.974 91 Q CA 0.949 56.684 55.803 -0.113 0.000 0.829 91 Q CB 0.124 28.809 28.738 -0.090 0.000 0.894 91 Q HN 0.281 nan 8.270 nan 0.000 0.433 92 L N 1.233 122.276 121.223 -0.300 0.000 2.843 92 L HA 0.385 4.725 4.340 0.000 0.000 0.234 92 L C -0.034 176.729 176.870 -0.179 0.000 1.264 92 L CA 0.013 54.680 54.840 -0.289 0.000 1.052 92 L CB 0.298 42.053 42.059 -0.506 0.000 1.372 92 L HN 0.019 nan 8.230 nan 0.000 0.466 93 G N 1.537 110.288 108.800 -0.082 0.000 2.333 93 G HA2 0.407 4.367 3.960 0.000 0.000 0.290 93 G HA3 0.407 4.367 3.960 0.000 0.000 0.290 93 G C 0.140 175.043 174.900 0.005 0.000 1.150 93 G CA -0.377 44.720 45.100 -0.005 0.000 0.895 93 G HN 0.164 nan 8.290 nan 0.000 0.444 94 I N 4.222 124.798 120.570 0.011 0.000 2.406 94 I HA 0.169 4.339 4.170 0.000 0.000 0.293 94 I C -1.566 174.630 176.117 0.131 0.000 1.101 94 I CA -3.147 58.166 61.300 0.021 0.000 1.334 94 I CB -0.023 37.949 38.000 -0.046 0.000 1.421 94 I HN 0.267 nan 8.210 nan 0.000 0.513 95 P HA 0.060 nan 4.420 nan 0.000 0.268 95 P C -0.580 176.916 177.300 0.326 0.000 1.208 95 P CA 0.117 63.326 63.100 0.181 0.000 0.777 95 P CB 0.336 32.098 31.700 0.103 0.000 0.875 96 H N 2.535 121.729 119.070 0.206 0.000 2.511 96 H HA 0.361 4.917 4.556 0.000 0.000 0.328 96 H C -2.177 173.144 175.328 -0.011 0.000 1.044 96 H CA -2.235 53.888 56.048 0.125 0.000 1.212 96 H CB 0.577 30.342 29.762 0.004 0.000 1.428 96 H HN 0.243 nan 8.280 nan 0.000 0.483 97 P HA 0.110 nan 4.420 nan 0.000 0.275 97 P C 0.475 177.352 177.300 -0.705 0.000 1.276 97 P CA -0.038 62.739 63.100 -0.538 0.000 0.782 97 P CB 1.174 32.676 31.700 -0.329 0.000 0.851 98 A N 4.741 127.357 122.820 -0.339 0.000 1.884 98 A HA -0.144 4.176 4.320 0.000 0.000 0.219 98 A C 2.065 179.553 177.584 -0.160 0.000 1.197 98 A CA 1.999 53.937 52.037 -0.165 0.000 0.637 98 A CB -1.546 17.424 19.000 -0.049 0.000 0.827 98 A HN 0.593 nan 8.150 nan 0.000 0.450 99 G N -1.198 107.512 108.800 -0.151 0.000 3.210 99 G HA2 0.240 4.200 3.960 0.000 0.000 0.220 99 G HA3 0.240 4.200 3.960 0.000 0.000 0.220 99 G C 1.080 175.888 174.900 -0.152 0.000 1.200 99 G CA 0.532 45.558 45.100 -0.123 0.000 0.834 99 G HN 0.420 nan 8.290 nan 0.000 0.524 100 L N 1.225 122.314 121.223 -0.223 0.000 2.046 100 L HA -0.023 4.317 4.340 0.000 0.000 0.208 100 L C 2.868 179.629 176.870 -0.182 0.000 1.077 100 L CA 2.246 56.958 54.840 -0.214 0.000 0.747 100 L CB -0.220 41.646 42.059 -0.322 0.000 0.896 100 L HN 0.398 nan 8.230 nan 0.000 0.432 101 K N -0.639 119.651 120.400 -0.184 0.000 2.211 101 K HA -0.137 4.183 4.320 0.000 0.000 0.203 101 K C 0.899 177.405 176.600 -0.157 0.000 1.050 101 K CA 1.135 57.318 56.287 -0.174 0.000 0.945 101 K CB -0.418 31.970 32.500 -0.187 0.000 0.732 101 K HN 0.242 nan 8.250 nan 0.000 0.451 102 K N 1.564 121.885 120.400 -0.131 0.000 3.216 102 K HA 0.141 4.461 4.320 0.000 0.000 0.277 102 K C -0.708 175.820 176.600 -0.120 0.000 1.246 102 K CA -0.042 56.178 56.287 -0.111 0.000 1.227 102 K CB 0.277 32.728 32.500 -0.081 0.000 1.487 102 K HN -0.043 nan 8.250 nan 0.000 0.341 103 K N 0.029 120.337 120.400 -0.153 0.000 2.395 103 K HA 0.306 4.626 4.320 0.000 0.000 0.245 103 K C 0.321 176.811 176.600 -0.182 0.000 1.017 103 K CA -0.679 55.518 56.287 -0.150 0.000 0.852 103 K CB 1.208 33.625 32.500 -0.139 0.000 1.311 103 K HN -0.184 nan 8.250 nan 0.000 0.452 104 K N -0.044 120.250 120.400 -0.176 0.000 2.374 104 K HA 0.187 4.507 4.320 0.000 0.000 0.196 104 K C -0.689 175.790 176.600 -0.201 0.000 1.023 104 K CA 0.103 56.276 56.287 -0.190 0.000 1.103 104 K CB 0.498 32.892 32.500 -0.177 0.000 0.848 104 K HN 0.645 nan 8.250 nan 0.000 0.528 105 S N -1.100 114.469 115.700 -0.217 0.000 2.604 105 S HA 0.357 4.828 4.470 0.000 0.000 0.296 105 S C -1.007 173.499 174.600 -0.156 0.000 1.097 105 S CA -1.067 57.011 58.200 -0.205 0.000 0.883 105 S CB 1.448 64.416 63.200 -0.386 0.000 1.081 105 S HN -0.164 nan 8.310 nan 0.000 0.448 106 V N 1.772 121.648 119.914 -0.063 0.000 2.925 106 V HA 0.830 4.950 4.120 0.000 0.000 0.311 106 V C -0.440 175.707 176.094 0.088 0.000 1.104 106 V CA -0.531 61.788 62.300 0.032 0.000 0.954 106 V CB 2.457 34.281 31.823 0.002 0.000 1.022 106 V HN 1.101 nan 8.190 nan 0.000 0.427 107 T N 1.913 116.546 114.554 0.132 0.000 2.876 107 T HA 0.572 4.922 4.350 0.000 0.000 0.289 107 T C -0.584 174.125 174.700 0.014 0.000 1.014 107 T CA -0.549 61.587 62.100 0.060 0.000 0.986 107 T CB 1.907 70.811 68.868 0.060 0.000 1.021 107 T HN 0.375 nan 8.240 nan 0.000 0.458 108 V N 4.084 123.952 119.914 -0.077 0.000 2.432 108 V HA 0.323 4.443 4.120 0.000 0.000 0.271 108 V C -0.322 175.706 176.094 -0.109 0.000 1.046 108 V CA -0.695 61.498 62.300 -0.178 0.000 0.945 108 V CB 0.506 32.273 31.823 -0.094 0.000 0.992 108 V HN 0.610 nan 8.190 nan 0.000 0.471 109 L N 3.921 125.046 121.223 -0.163 0.000 2.322 109 L HA 0.493 4.833 4.340 0.000 0.000 0.281 109 L C -0.103 176.722 176.870 -0.075 0.000 1.014 109 L CA -0.160 54.626 54.840 -0.091 0.000 0.815 109 L CB 1.711 43.714 42.059 -0.093 0.000 1.247 109 L HN 0.628 nan 8.230 nan 0.000 0.421 110 D N 2.539 122.924 120.400 -0.025 0.000 2.494 110 D HA 0.147 4.787 4.640 0.000 0.000 0.217 110 D C 0.542 176.825 176.300 -0.029 0.000 1.153 110 D CA -0.199 53.802 54.000 0.002 0.000 0.954 110 D CB 0.530 41.352 40.800 0.037 0.000 1.034 110 D HN 0.268 nan 8.370 nan 0.000 0.518 111 V N 2.253 122.130 119.914 -0.061 0.000 3.164 111 V HA 0.456 4.576 4.120 0.000 0.000 0.388 111 V C 1.531 177.528 176.094 -0.161 0.000 1.279 111 V CA -0.016 62.193 62.300 -0.152 0.000 1.426 111 V CB 0.126 31.811 31.823 -0.230 0.000 1.330 111 V HN 0.330 nan 8.190 nan 0.000 0.511 112 G N 0.602 109.379 108.800 -0.039 0.000 2.464 112 G HA2 -0.229 3.732 3.960 0.000 0.000 0.214 112 G HA3 -0.229 3.732 3.960 0.000 0.000 0.214 112 G C 1.163 175.979 174.900 -0.139 0.000 1.218 112 G CA 0.918 46.028 45.100 0.018 0.000 0.794 112 G HN 0.532 nan 8.290 nan 0.000 0.542 113 D N 1.150 121.497 120.400 -0.087 0.000 2.354 113 D HA -0.008 4.632 4.640 0.000 0.000 0.216 113 D C 2.393 178.553 176.300 -0.233 0.000 0.970 113 D CA 0.755 54.727 54.000 -0.047 0.000 0.905 113 D CB -0.054 40.841 40.800 0.158 0.000 0.903 113 D HN 0.240 nan 8.370 nan 0.000 0.508 114 A N -0.671 121.888 122.820 -0.436 0.000 2.235 114 A HA -0.081 4.239 4.320 0.000 0.000 0.208 114 A C 0.978 177.941 177.584 -1.036 0.000 1.172 114 A CA 0.264 51.915 52.037 -0.644 0.000 0.786 114 A CB -0.444 18.108 19.000 -0.747 0.000 0.804 114 A HN 0.264 nan 8.150 nan 0.000 0.479 115 Y N -2.324 117.538 120.300 -0.731 0.000 2.497 115 Y HA 0.185 4.735 4.550 0.000 0.000 0.265 115 Y C 0.762 176.449 175.900 -0.354 0.000 1.111 115 Y CA -0.169 57.546 58.100 -0.641 0.000 1.288 115 Y CB -0.041 38.069 38.460 -0.584 0.000 1.082 115 Y HN 0.338 nan 8.280 nan 0.000 0.536 116 F N -0.666 119.336 119.950 0.086 0.000 2.716 116 F HA 0.020 4.547 4.527 0.000 0.000 0.301 116 F C 1.734 177.593 175.800 0.098 0.000 1.210 116 F CA 0.046 58.114 58.000 0.114 0.000 1.422 116 F CB -0.773 38.281 39.000 0.090 0.000 1.073 116 F HN -0.066 nan 8.300 nan 0.000 0.525 117 S N -0.709 115.114 115.700 0.205 0.000 2.310 117 S HA 0.082 4.552 4.470 0.000 0.000 0.205 117 S C 0.817 175.541 174.600 0.207 0.000 1.020 117 S CA -0.026 58.294 58.200 0.199 0.000 0.939 117 S CB -0.095 63.232 63.200 0.213 0.000 0.919 117 S HN -0.092 nan 8.310 nan 0.000 0.501 118 V N 5.383 125.434 119.914 0.228 0.000 2.673 118 V HA 0.166 4.286 4.120 0.000 0.000 0.303 118 V C -2.099 174.119 176.094 0.207 0.000 1.046 118 V CA -1.026 61.398 62.300 0.206 0.000 1.126 118 V CB 0.189 32.144 31.823 0.221 0.000 0.934 118 V HN 0.374 nan 8.190 nan 0.000 0.487 119 P HA 0.388 nan 4.420 nan 0.000 0.290 119 P C -0.686 176.714 177.300 0.166 0.000 1.275 119 P CA -0.629 62.574 63.100 0.172 0.000 0.841 119 P CB 1.407 33.188 31.700 0.135 0.000 1.042 120 L N 1.805 123.138 121.223 0.184 0.000 2.452 120 L HA 0.180 4.521 4.340 0.000 0.000 0.267 120 L C 1.252 178.203 176.870 0.135 0.000 1.188 120 L CA -0.205 54.739 54.840 0.172 0.000 0.821 120 L CB 0.008 42.200 42.059 0.222 0.000 1.102 120 L HN 0.420 nan 8.230 nan 0.000 0.470 121 D N 1.073 121.532 120.400 0.100 0.000 2.419 121 D HA -0.087 4.553 4.640 0.000 0.000 0.236 121 D C 0.906 177.280 176.300 0.124 0.000 1.165 121 D CA 0.175 54.224 54.000 0.082 0.000 0.882 121 D CB 0.947 41.762 40.800 0.025 0.000 1.201 121 D HN 0.390 nan 8.370 nan 0.000 0.443 122 E N 1.634 121.893 120.200 0.099 0.000 2.107 122 E HA -0.106 4.244 4.350 0.000 0.000 0.191 122 E C 1.211 177.875 176.600 0.107 0.000 0.982 122 E CA 0.792 57.251 56.400 0.098 0.000 0.809 122 E CB 0.071 29.816 29.700 0.075 0.000 0.756 122 E HN 0.549 nan 8.360 nan 0.000 0.459 123 D N -0.053 120.410 120.400 0.105 0.000 2.149 123 D HA -0.120 4.521 4.640 0.000 0.000 0.201 123 D C 1.717 178.096 176.300 0.132 0.000 0.972 123 D CA 0.552 54.619 54.000 0.113 0.000 0.835 123 D CB -0.308 40.545 40.800 0.088 0.000 0.966 123 D HN 0.135 nan 8.370 nan 0.000 0.476 124 F N 1.646 121.550 119.950 -0.077 0.000 2.558 124 F HA 0.051 4.579 4.527 0.000 0.000 0.298 124 F C 2.203 177.957 175.800 -0.077 0.000 1.119 124 F CA 0.447 58.321 58.000 -0.210 0.000 1.451 124 F CB 0.163 38.979 39.000 -0.305 0.000 1.091 124 F HN -0.265 nan 8.300 nan 0.000 0.563 125 R N 0.452 121.024 120.500 0.119 0.000 2.127 125 R HA -0.192 4.148 4.340 0.000 0.000 0.238 125 R C 2.273 178.601 176.300 0.046 0.000 1.134 125 R CA 1.492 57.654 56.100 0.104 0.000 0.975 125 R CB -0.336 30.046 30.300 0.136 0.000 0.865 125 R HN 0.227 nan 8.270 nan 0.000 0.447 126 K N -0.027 120.416 120.400 0.071 0.000 2.113 126 K HA -0.193 4.128 4.320 0.000 0.000 0.208 126 K C 0.954 177.533 176.600 -0.036 0.000 1.047 126 K CA 1.485 57.818 56.287 0.077 0.000 0.928 126 K CB -0.020 32.556 32.500 0.127 0.000 0.716 126 K HN 0.195 nan 8.250 nan 0.000 0.446 127 Y N 0.201 120.184 120.300 -0.530 0.000 2.529 127 Y HA -0.005 4.545 4.550 0.000 0.000 0.290 127 Y C 1.081 176.733 175.900 -0.415 0.000 1.177 127 Y CA 0.713 58.365 58.100 -0.747 0.000 1.305 127 Y CB 0.118 37.928 38.460 -1.082 0.000 1.047 127 Y HN 0.070 nan 8.280 nan 0.000 0.522 128 T N -2.228 112.300 114.554 -0.044 0.000 3.316 128 T HA 0.740 5.091 4.350 0.000 0.000 0.253 128 T C 0.333 175.228 174.700 0.325 0.000 0.995 128 T CA -0.436 61.778 62.100 0.189 0.000 1.031 128 T CB -0.442 68.531 68.868 0.176 0.000 1.125 128 T HN 0.151 nan 8.240 nan 0.000 0.539 129 A N 1.836 124.784 122.820 0.213 0.000 2.287 129 A HA 0.888 5.208 4.320 0.000 0.000 0.273 129 A C -0.306 177.441 177.584 0.271 0.000 1.091 129 A CA -0.899 51.254 52.037 0.194 0.000 0.817 129 A CB 0.318 19.372 19.000 0.090 0.000 1.069 129 A HN 1.020 nan 8.150 nan 0.000 0.492 130 F N -2.167 117.844 119.950 0.102 0.000 2.703 130 F HA 0.681 5.208 4.527 0.000 0.000 0.308 130 F C -0.679 175.159 175.800 0.063 0.000 1.126 130 F CA -0.648 57.383 58.000 0.052 0.000 0.959 130 F CB 1.057 40.089 39.000 0.053 0.000 1.297 130 F HN 0.436 nan 8.300 nan 0.000 0.441 131 T N 3.398 118.052 114.554 0.168 0.000 2.885 131 T HA 0.685 5.035 4.350 0.000 0.000 0.285 131 T C -0.448 174.344 174.700 0.152 0.000 1.019 131 T CA -0.601 61.529 62.100 0.051 0.000 1.010 131 T CB 1.676 70.540 68.868 -0.008 0.000 1.022 131 T HN 0.811 nan 8.240 nan 0.000 0.466 132 I N 0.249 120.886 120.570 0.112 0.000 2.405 132 I HA 0.534 4.705 4.170 0.000 0.000 0.280 132 I C -2.948 173.184 176.117 0.025 0.000 1.027 132 I CA -2.841 58.526 61.300 0.111 0.000 1.161 132 I CB 1.136 39.258 38.000 0.204 0.000 1.300 132 I HN 0.266 nan 8.210 nan 0.000 0.463 133 P HA 0.097 nan 4.420 nan 0.000 0.269 133 P C -0.287 176.999 177.300 -0.022 0.000 1.215 133 P CA -0.010 63.077 63.100 -0.023 0.000 0.780 133 P CB 0.912 32.593 31.700 -0.032 0.000 0.898 134 S N 1.026 116.712 115.700 -0.023 0.000 2.608 134 S HA 0.561 5.032 4.470 0.000 0.000 0.291 134 S C -0.023 174.564 174.600 -0.022 0.000 1.146 134 S CA -0.919 57.267 58.200 -0.024 0.000 1.043 134 S CB -0.096 63.089 63.200 -0.025 0.000 1.037 134 S HN 0.325 nan 8.310 nan 0.000 0.520 135 I N 3.034 123.591 120.570 -0.022 0.000 2.517 135 I HA 0.386 4.556 4.170 0.000 0.000 0.285 135 I C 0.820 176.929 176.117 -0.015 0.000 1.106 135 I CA -0.025 61.264 61.300 -0.018 0.000 1.402 135 I CB -0.095 37.894 38.000 -0.020 0.000 1.399 135 I HN 0.771 nan 8.210 nan 0.000 0.535 136 N N 4.882 123.575 118.700 -0.011 0.000 2.741 136 N HA -0.322 4.418 4.740 0.000 0.000 0.251 136 N C -0.277 175.226 175.510 -0.012 0.000 1.112 136 N CA 1.265 54.309 53.050 -0.009 0.000 0.750 136 N CB -1.406 37.076 38.487 -0.009 0.000 1.119 136 N HN 0.995 nan 8.380 nan 0.000 0.561 137 N N -0.493 118.199 118.700 -0.014 0.000 2.708 137 N HA -0.243 4.497 4.740 0.000 0.000 0.255 137 N C 0.653 176.151 175.510 -0.019 0.000 1.046 137 N CA 1.021 54.060 53.050 -0.018 0.000 0.715 137 N CB -0.706 37.771 38.487 -0.017 0.000 0.895 137 N HN 0.728 nan 8.380 nan 0.000 0.545 138 E N 0.107 120.295 120.200 -0.020 0.000 2.110 138 E HA -0.127 4.223 4.350 0.000 0.000 0.193 138 E C 0.619 177.206 176.600 -0.023 0.000 0.988 138 E CA 1.587 57.975 56.400 -0.020 0.000 0.804 138 E CB 0.301 29.989 29.700 -0.020 0.000 0.745 138 E HN 0.569 nan 8.360 nan 0.000 0.458 139 T N -1.484 113.053 114.554 -0.027 0.000 2.894 139 T HA 0.369 4.719 4.350 0.000 0.000 0.309 139 T C -2.907 171.771 174.700 -0.038 0.000 1.208 139 T CA -1.837 60.243 62.100 -0.033 0.000 1.016 139 T CB 1.774 70.620 68.868 -0.037 0.000 1.192 139 T HN -0.153 nan 8.240 nan 0.000 0.491 140 P HA 0.233 nan 4.420 nan 0.000 0.266 140 P C 0.780 178.044 177.300 -0.060 0.000 1.215 140 P CA 0.183 63.254 63.100 -0.049 0.000 0.763 140 P CB -0.050 31.618 31.700 -0.053 0.000 0.806 141 G N 5.625 114.394 108.800 -0.053 0.000 2.093 141 G HA2 -0.023 3.937 3.960 0.000 0.000 0.250 141 G HA3 -0.023 3.937 3.960 0.000 0.000 0.250 141 G C 0.663 175.505 174.900 -0.096 0.000 1.056 141 G CA -0.485 44.581 45.100 -0.057 0.000 0.916 141 G HN 0.469 nan 8.290 nan 0.000 0.421 142 I N 2.088 122.586 120.570 -0.120 0.000 2.892 142 I HA 0.112 4.282 4.170 0.000 0.000 0.287 142 I C 0.811 176.740 176.117 -0.314 0.000 1.205 142 I CA 0.486 61.645 61.300 -0.235 0.000 1.409 142 I CB 0.218 38.060 38.000 -0.264 0.000 1.367 142 I HN 0.376 nan 8.210 nan 0.000 0.597 143 R N 4.648 124.879 120.500 -0.448 0.000 2.599 143 R HA 0.577 4.918 4.340 0.000 0.000 0.295 143 R C -1.374 174.544 176.300 -0.637 0.000 0.963 143 R CA -0.728 55.115 56.100 -0.428 0.000 0.883 143 R CB 2.179 32.323 30.300 -0.260 0.000 1.171 143 R HN 0.456 nan 8.270 nan 0.000 0.450 144 Y N 0.099 120.058 120.300 -0.568 0.000 2.728 144 Y HA 0.439 4.989 4.550 0.000 0.000 0.327 144 Y C 0.177 175.790 175.900 -0.479 0.000 1.130 144 Y CA -0.695 57.047 58.100 -0.597 0.000 1.141 144 Y CB 1.882 39.811 38.460 -0.885 0.000 1.329 144 Y HN 0.417 nan 8.280 nan 0.000 0.519 145 Q N -0.469 119.306 119.800 -0.041 0.000 2.534 145 Q HA 0.407 4.747 4.340 0.000 0.000 0.290 145 Q C -2.231 173.891 176.000 0.203 0.000 0.991 145 Q CA -0.826 55.051 55.803 0.124 0.000 0.783 145 Q CB 2.091 30.880 28.738 0.084 0.000 1.470 145 Q HN 0.662 nan 8.270 nan 0.000 0.406 146 Y N 1.510 121.933 120.300 0.205 0.000 2.330 146 Y HA 0.274 4.824 4.550 0.000 0.000 0.336 146 Y C 0.343 176.338 175.900 0.158 0.000 1.036 146 Y CA 0.114 58.341 58.100 0.212 0.000 1.125 146 Y CB 1.502 40.113 38.460 0.253 0.000 1.194 146 Y HN 0.728 nan 8.280 nan 0.000 0.469 147 N N 0.552 119.384 118.700 0.220 0.000 2.511 147 N HA 0.064 4.804 4.740 0.000 0.000 0.190 147 N C -0.478 175.174 175.510 0.238 0.000 1.037 147 N CA 0.467 53.627 53.050 0.183 0.000 0.895 147 N CB 0.147 38.696 38.487 0.103 0.000 1.149 147 N HN 0.326 nan 8.380 nan 0.000 0.437 148 V N -0.299 119.785 119.914 0.285 0.000 2.837 148 V HA 0.382 4.502 4.120 0.000 0.000 0.310 148 V C 0.550 176.910 176.094 0.443 0.000 1.059 148 V CA -1.329 61.172 62.300 0.335 0.000 1.004 148 V CB 0.910 32.938 31.823 0.343 0.000 1.045 148 V HN 0.113 nan 8.190 nan 0.000 0.465 149 L N 4.012 125.451 121.223 0.361 0.000 2.848 149 L HA 0.012 4.352 4.340 0.000 0.000 0.286 149 L C -1.793 175.271 176.870 0.323 0.000 1.150 149 L CA -0.328 54.702 54.840 0.317 0.000 0.958 149 L CB -0.016 42.193 42.059 0.249 0.000 1.322 149 L HN 0.599 nan 8.230 nan 0.000 0.469 150 P HA -0.040 nan 4.420 nan 0.000 0.271 150 P C -0.694 176.548 177.300 -0.097 0.000 1.220 150 P CA -0.146 62.883 63.100 -0.118 0.000 0.768 150 P CB 0.688 31.985 31.700 -0.671 0.000 0.848 151 Q N 2.037 121.882 119.800 0.076 0.000 2.296 151 Q HA 0.360 4.700 4.340 0.000 0.000 0.263 151 Q C 0.940 176.934 176.000 -0.010 0.000 1.026 151 Q CA 0.657 56.450 55.803 -0.017 0.000 0.912 151 Q CB -0.349 28.499 28.738 0.183 0.000 1.198 151 Q HN 0.866 nan 8.270 nan 0.000 0.407 152 G N 3.602 112.349 108.800 -0.089 0.000 2.205 152 G HA2 -0.208 3.752 3.960 0.000 0.000 0.180 152 G HA3 -0.208 3.752 3.960 0.000 0.000 0.180 152 G C -0.907 174.019 174.900 0.044 0.000 1.004 152 G CA -0.353 44.768 45.100 0.034 0.000 0.670 152 G HN 0.616 nan 8.290 nan 0.000 0.496 153 W N 2.361 123.437 121.300 -0.372 0.000 2.376 153 W HA 0.705 5.365 4.660 0.000 0.000 0.322 153 W C 0.896 177.191 176.519 -0.375 0.000 1.160 153 W CA -1.252 55.847 57.345 -0.409 0.000 1.218 153 W CB 0.890 30.030 29.460 -0.534 0.000 1.205 153 W HN -0.055 nan 8.180 nan 0.000 0.559 154 K N 2.771 122.900 120.400 -0.451 0.000 2.555 154 K HA 0.026 4.346 4.320 0.000 0.000 0.193 154 K C 1.591 177.512 176.600 -1.132 0.000 1.032 154 K CA 0.858 56.619 56.287 -0.877 0.000 1.004 154 K CB 0.090 31.891 32.500 -1.165 0.000 0.804 154 K HN 0.708 nan 8.250 nan 0.000 0.496 155 G N -0.231 107.443 108.800 -1.876 0.000 2.762 155 G HA2 -0.072 3.888 3.960 0.000 0.000 0.209 155 G HA3 -0.072 3.888 3.960 0.000 0.000 0.209 155 G C 1.348 175.535 174.900 -1.189 0.000 1.134 155 G CA -0.165 43.860 45.100 -1.792 0.000 0.781 155 G HN 0.081 nan 8.290 nan 0.000 0.528 156 S N 1.880 117.001 115.700 -0.965 0.000 2.359 156 S HA -0.095 4.375 4.470 0.000 0.000 0.222 156 S C 0.196 174.665 174.600 -0.218 0.000 1.038 156 S CA 1.732 59.630 58.200 -0.503 0.000 1.051 156 S CB -0.736 61.913 63.200 -0.917 0.000 0.944 156 S HN 0.384 nan 8.310 nan 0.000 0.433 157 P HA 0.050 nan 4.420 nan 0.000 0.223 157 P C 1.043 178.311 177.300 -0.053 0.000 1.151 157 P CA 1.201 64.345 63.100 0.073 0.000 0.787 157 P CB -0.097 31.532 31.700 -0.118 0.000 0.788 158 A N 0.118 122.800 122.820 -0.230 0.000 1.969 158 A HA -0.076 4.244 4.320 0.000 0.000 0.218 158 A C 2.238 179.730 177.584 -0.153 0.000 1.169 158 A CA 1.117 53.008 52.037 -0.244 0.000 0.635 158 A CB -1.119 17.638 19.000 -0.405 0.000 0.810 158 A HN 0.137 nan 8.150 nan 0.000 0.445 159 I N -2.849 117.682 120.570 -0.065 0.000 3.462 159 I HA 0.050 4.220 4.170 0.000 0.000 0.290 159 I C 1.658 177.821 176.117 0.077 0.000 1.236 159 I CA 0.669 61.983 61.300 0.023 0.000 1.418 159 I CB -0.092 37.967 38.000 0.099 0.000 1.102 159 I HN 0.352 nan 8.210 nan 0.000 0.441 160 F N 2.056 121.998 119.950 -0.012 0.000 2.732 160 F HA 0.051 4.578 4.527 0.000 0.000 0.303 160 F C 2.303 178.055 175.800 -0.080 0.000 1.110 160 F CA 0.268 58.250 58.000 -0.030 0.000 1.355 160 F CB -0.068 38.927 39.000 -0.008 0.000 1.081 160 F HN 0.038 nan 8.300 nan 0.000 0.565 161 Q N -0.766 119.010 119.800 -0.041 0.000 2.245 161 Q HA -0.090 4.250 4.340 0.000 0.000 0.201 161 Q C 1.508 177.407 176.000 -0.168 0.000 0.955 161 Q CA 1.579 57.326 55.803 -0.092 0.000 0.870 161 Q CB -0.010 28.684 28.738 -0.075 0.000 0.945 161 Q HN 0.296 nan 8.270 nan 0.000 0.461 162 S N 0.437 116.022 115.700 -0.191 0.000 2.436 162 S HA -0.063 4.407 4.470 0.000 0.000 0.228 162 S C 1.821 176.259 174.600 -0.270 0.000 1.014 162 S CA 1.040 59.129 58.200 -0.184 0.000 0.950 162 S CB 0.060 63.179 63.200 -0.134 0.000 0.784 162 S HN 0.515 nan 8.310 nan 0.000 0.504 163 S N 0.478 115.899 115.700 -0.465 0.000 2.486 163 S HA 0.126 4.596 4.470 0.000 0.000 0.220 163 S C 1.723 175.915 174.600 -0.680 0.000 1.011 163 S CA 0.243 58.081 58.200 -0.604 0.000 0.921 163 S CB -0.164 62.538 63.200 -0.829 0.000 0.785 163 S HN 0.317 nan 8.310 nan 0.000 0.517 164 M N 2.651 121.856 119.600 -0.658 0.000 2.236 164 M HA 0.030 4.510 4.480 0.000 0.000 0.266 164 M C 2.077 178.232 176.300 -0.241 0.000 1.070 164 M CA 2.147 57.226 55.300 -0.369 0.000 1.137 164 M CB -1.004 31.527 32.600 -0.114 0.000 1.378 164 M HN 0.494 nan 8.290 nan 0.000 0.426 165 T N -2.046 112.387 114.554 -0.203 0.000 2.821 165 T HA -0.120 4.230 4.350 0.000 0.000 0.267 165 T C 1.834 176.457 174.700 -0.127 0.000 1.046 165 T CA 1.500 63.522 62.100 -0.131 0.000 1.139 165 T CB -0.510 68.298 68.868 -0.100 0.000 0.871 165 T HN 0.450 nan 8.240 nan 0.000 0.454 166 K N 0.552 120.853 120.400 -0.166 0.000 2.288 166 K HA 0.216 4.536 4.320 0.000 0.000 0.201 166 K C 2.189 178.679 176.600 -0.182 0.000 1.048 166 K CA 0.648 56.855 56.287 -0.132 0.000 0.956 166 K CB -0.131 32.293 32.500 -0.126 0.000 0.746 166 K HN 0.384 nan 8.250 nan 0.000 0.461 167 I N 0.728 121.098 120.570 -0.334 0.000 2.439 167 I HA -0.164 4.006 4.170 0.000 0.000 0.251 167 I C 1.266 177.248 176.117 -0.226 0.000 1.139 167 I CA 1.250 62.199 61.300 -0.585 0.000 1.438 167 I CB -0.118 37.444 38.000 -0.730 0.000 1.085 167 I HN 0.123 nan 8.210 nan 0.000 0.427 168 L N 0.619 121.773 121.223 -0.115 0.000 3.034 168 L HA 0.140 4.480 4.340 0.000 0.000 0.245 168 L C 1.628 178.506 176.870 0.014 0.000 1.295 168 L CA -0.171 54.651 54.840 -0.030 0.000 1.068 168 L CB 0.207 42.221 42.059 -0.075 0.000 1.426 168 L HN 0.009 nan 8.230 nan 0.000 0.531 169 E N 1.537 121.770 120.200 0.055 0.000 2.046 169 E HA -0.087 4.263 4.350 0.000 0.000 0.190 169 E C -0.730 175.916 176.600 0.076 0.000 0.982 169 E CA 1.354 57.787 56.400 0.055 0.000 0.800 169 E CB -0.501 29.236 29.700 0.061 0.000 0.756 169 E HN 0.235 nan 8.360 nan 0.000 0.449 170 P HA -0.097 nan 4.420 nan 0.000 0.212 170 P C 1.046 178.356 177.300 0.016 0.000 1.180 170 P CA 1.291 64.456 63.100 0.108 0.000 0.906 170 P CB -0.218 31.639 31.700 0.262 0.000 0.782 171 F N 0.276 120.099 119.950 -0.212 0.000 2.091 171 F HA -0.236 4.291 4.527 0.000 0.000 0.299 171 F C 2.172 177.908 175.800 -0.106 0.000 1.103 171 F CA 1.665 59.545 58.000 -0.199 0.000 1.228 171 F CB -0.498 38.311 39.000 -0.317 0.000 0.984 171 F HN -0.149 nan 8.300 nan 0.000 0.477 172 K N -0.535 119.918 120.400 0.089 0.000 2.155 172 K HA -0.160 4.161 4.320 0.000 0.000 0.203 172 K C 1.884 178.489 176.600 0.008 0.000 1.052 172 K CA 1.067 57.380 56.287 0.042 0.000 0.948 172 K CB -0.120 32.398 32.500 0.029 0.000 0.728 172 K HN 0.023 nan 8.250 nan 0.000 0.448 173 K N 1.375 121.776 120.400 0.001 0.000 2.305 173 K HA -0.101 4.219 4.320 0.000 0.000 0.199 173 K C 1.772 178.353 176.600 -0.032 0.000 1.047 173 K CA 0.874 57.156 56.287 -0.010 0.000 0.976 173 K CB 0.324 32.825 32.500 0.001 0.000 0.765 173 K HN 0.196 nan 8.250 nan 0.000 0.474 174 Q N -1.083 118.679 119.800 -0.064 0.000 2.282 174 Q HA 0.150 4.490 4.340 0.000 0.000 0.206 174 Q C -0.720 175.218 176.000 -0.103 0.000 0.878 174 Q CA 0.053 55.800 55.803 -0.094 0.000 0.944 174 Q CB 0.401 29.054 28.738 -0.141 0.000 1.100 174 Q HN -0.017 nan 8.270 nan 0.000 0.509 175 N N 1.535 120.188 118.700 -0.078 0.000 2.716 175 N HA 0.238 4.978 4.740 0.000 0.000 0.253 175 N C -2.527 172.971 175.510 -0.021 0.000 1.170 175 N CA -1.396 51.622 53.050 -0.053 0.000 0.807 175 N CB 1.890 40.349 38.487 -0.046 0.000 1.183 175 N HN 0.032 nan 8.380 nan 0.000 0.524 176 P HA 0.058 nan 4.420 nan 0.000 0.241 176 P C -0.259 177.032 177.300 -0.014 0.000 1.191 176 P CA 0.765 63.855 63.100 -0.016 0.000 0.771 176 P CB 0.430 32.118 31.700 -0.019 0.000 0.929 177 D N -1.054 119.338 120.400 -0.012 0.000 2.363 177 D HA 0.174 4.814 4.640 0.000 0.000 0.214 177 D C 0.244 176.543 176.300 -0.001 0.000 1.093 177 D CA 0.240 54.232 54.000 -0.012 0.000 0.837 177 D CB 0.087 40.878 40.800 -0.016 0.000 0.948 177 D HN 0.187 nan 8.370 nan 0.000 0.507 178 I N 0.981 121.559 120.570 0.013 0.000 2.418 178 I HA 0.300 4.470 4.170 0.000 0.000 0.287 178 I C -0.671 175.465 176.117 0.032 0.000 1.008 178 I CA -0.892 60.431 61.300 0.037 0.000 1.104 178 I CB 2.181 40.225 38.000 0.074 0.000 1.264 178 I HN -0.345 nan 8.210 nan 0.000 0.438 179 V N 7.114 127.044 119.914 0.027 0.000 2.715 179 V HA 0.560 4.680 4.120 0.000 0.000 0.310 179 V C -0.081 176.048 176.094 0.058 0.000 1.054 179 V CA -0.571 61.743 62.300 0.024 0.000 0.928 179 V CB 2.448 34.263 31.823 -0.013 0.000 1.007 179 V HN 0.489 nan 8.190 nan 0.000 0.437 180 I N 2.940 123.556 120.570 0.077 0.000 2.785 180 I HA 0.528 4.699 4.170 0.000 0.000 0.302 180 I C -1.621 174.622 176.117 0.210 0.000 1.069 180 I CA -0.845 60.528 61.300 0.121 0.000 1.045 180 I CB 2.392 40.434 38.000 0.070 0.000 1.236 180 I HN 0.618 nan 8.210 nan 0.000 0.429 181 Y N 4.397 124.757 120.300 0.100 0.000 2.396 181 Y HA 0.333 4.883 4.550 0.000 0.000 0.332 181 Y C -0.881 175.134 175.900 0.191 0.000 1.034 181 Y CA -0.575 57.609 58.100 0.141 0.000 1.057 181 Y CB 1.612 40.169 38.460 0.162 0.000 1.220 181 Y HN 0.478 nan 8.280 nan 0.000 0.440 182 Q N 5.300 124.934 119.800 -0.276 0.000 2.271 182 Q HA 0.344 4.684 4.340 0.000 0.000 0.258 182 Q C -2.125 173.676 176.000 -0.332 0.000 0.936 182 Q CA -0.789 54.891 55.803 -0.204 0.000 0.909 182 Q CB 1.446 30.105 28.738 -0.132 0.000 1.253 182 Q HN 0.794 nan 8.270 nan 0.000 0.440 183 Y N 5.264 125.410 120.300 -0.257 0.000 2.361 183 Y HA 0.218 4.769 4.550 0.000 0.000 0.328 183 Y C 0.279 176.112 175.900 -0.111 0.000 1.044 183 Y CA -0.312 57.668 58.100 -0.200 0.000 1.085 183 Y CB 0.846 39.304 38.460 -0.003 0.000 1.194 183 Y HN 1.000 nan 8.280 nan 0.000 0.438 184 M N 1.573 120.834 119.600 -0.564 0.000 7.319 184 M HA -0.428 4.052 4.480 0.000 0.000 0.292 184 M C -0.210 175.996 176.300 -0.156 0.000 0.480 184 M CA 2.498 57.553 55.300 -0.407 0.000 1.311 184 M CB -0.920 31.499 32.600 -0.302 0.000 0.421 184 M HN 0.701 nan 8.290 nan 0.000 0.539 185 D N 1.079 121.483 120.400 0.006 0.000 2.525 185 D HA 0.285 4.925 4.640 0.000 0.000 0.229 185 D C -0.911 175.448 176.300 0.099 0.000 1.202 185 D CA 0.245 54.311 54.000 0.110 0.000 0.828 185 D CB 0.194 41.068 40.800 0.123 0.000 1.008 185 D HN 0.261 nan 8.370 nan 0.000 0.493 186 D N 0.251 120.670 120.400 0.033 0.000 2.581 186 D HA 0.389 5.029 4.640 0.000 0.000 0.232 186 D C -1.145 175.053 176.300 -0.170 0.000 1.143 186 D CA -0.680 53.261 54.000 -0.098 0.000 0.881 186 D CB 2.779 43.452 40.800 -0.212 0.000 1.500 186 D HN -0.119 nan 8.370 nan 0.000 0.458 187 L N 1.454 122.520 121.223 -0.262 0.000 2.406 187 L HA 0.376 4.716 4.340 0.000 0.000 0.272 187 L C -1.852 174.879 176.870 -0.232 0.000 0.980 187 L CA -0.488 54.248 54.840 -0.173 0.000 0.831 187 L CB 1.277 43.274 42.059 -0.104 0.000 1.253 187 L HN 0.289 nan 8.230 nan 0.000 0.406 188 Y N 4.763 125.102 120.300 0.064 0.000 2.454 188 Y HA 0.509 5.059 4.550 0.000 0.000 0.345 188 Y C -0.027 175.909 175.900 0.060 0.000 0.970 188 Y CA -0.646 57.493 58.100 0.066 0.000 1.204 188 Y CB 1.351 39.877 38.460 0.110 0.000 1.122 188 Y HN 0.292 nan 8.280 nan 0.000 0.514 189 V N 3.484 123.489 119.914 0.151 0.000 2.383 189 V HA 0.625 4.745 4.120 0.000 0.000 0.275 189 V C 0.428 176.608 176.094 0.143 0.000 1.036 189 V CA -0.635 61.735 62.300 0.118 0.000 0.889 189 V CB 1.197 33.060 31.823 0.066 0.000 0.985 189 V HN 0.887 nan 8.190 nan 0.000 0.459 190 G N 3.113 111.980 108.800 0.111 0.000 2.557 190 G HA2 0.613 4.573 3.960 0.000 0.000 0.310 190 G HA3 0.613 4.573 3.960 0.000 0.000 0.310 190 G C -0.200 174.727 174.900 0.044 0.000 1.328 190 G CA -0.160 44.979 45.100 0.065 0.000 0.945 190 G HN 0.822 nan 8.290 nan 0.000 0.494 191 S N 0.736 116.446 115.700 0.017 0.000 2.768 191 S HA 0.582 5.053 4.470 0.000 0.000 0.300 191 S C 0.102 174.636 174.600 -0.110 0.000 1.122 191 S CA -0.480 57.714 58.200 -0.009 0.000 0.995 191 S CB 2.705 65.975 63.200 0.117 0.000 1.195 191 S HN 0.404 nan 8.310 nan 0.000 0.547 192 D N -1.523 118.826 120.400 -0.085 0.000 2.403 192 D HA 0.236 4.876 4.640 0.000 0.000 0.280 192 D C 0.359 176.599 176.300 -0.099 0.000 1.091 192 D CA 0.023 53.963 54.000 -0.100 0.000 0.884 192 D CB 0.369 41.129 40.800 -0.066 0.000 1.427 192 D HN 0.268 nan 8.370 nan 0.000 0.504 193 L N 1.857 123.042 121.223 -0.062 0.000 2.482 193 L HA 0.185 4.525 4.340 0.000 0.000 0.242 193 L C 1.032 177.869 176.870 -0.055 0.000 1.210 193 L CA 0.093 54.907 54.840 -0.044 0.000 0.819 193 L CB 0.088 42.144 42.059 -0.005 0.000 1.203 193 L HN 0.070 nan 8.230 nan 0.000 0.495 194 E N 0.156 120.337 120.200 -0.032 0.000 2.521 194 E HA -0.182 4.169 4.350 0.000 0.000 0.270 194 E C 0.995 177.602 176.600 0.013 0.000 1.082 194 E CA 0.680 57.064 56.400 -0.027 0.000 0.997 194 E CB 0.212 29.905 29.700 -0.011 0.000 0.990 194 E HN 0.457 nan 8.360 nan 0.000 0.458 195 I N 2.530 123.102 120.570 0.003 0.000 2.353 195 I HA -0.045 4.125 4.170 0.000 0.000 0.248 195 I C 1.635 177.817 176.117 0.109 0.000 1.119 195 I CA 1.688 63.030 61.300 0.072 0.000 1.417 195 I CB -0.289 37.725 38.000 0.023 0.000 1.078 195 I HN 0.685 nan 8.210 nan 0.000 0.421 196 G N -0.371 108.463 108.800 0.058 0.000 2.448 196 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 196 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 196 G C 1.358 176.289 174.900 0.050 0.000 1.135 196 G CA 0.251 45.379 45.100 0.047 0.000 0.784 196 G HN 0.487 nan 8.290 nan 0.000 0.543 197 Q N -1.123 118.715 119.800 0.062 0.000 2.220 197 Q HA 0.188 4.529 4.340 0.000 0.000 0.205 197 Q C 1.315 177.377 176.000 0.103 0.000 0.865 197 Q CA -0.046 55.792 55.803 0.059 0.000 0.960 197 Q CB 0.457 29.218 28.738 0.040 0.000 1.097 197 Q HN 0.727 nan 8.270 nan 0.000 0.493 198 H N -0.455 118.622 119.070 0.012 0.000 2.326 198 H HA 0.220 4.776 4.556 0.000 0.000 0.272 198 H C 1.521 176.867 175.328 0.031 0.000 0.949 198 H CA 0.493 56.552 56.048 0.019 0.000 1.175 198 H CB 0.443 30.209 29.762 0.007 0.000 1.462 198 H HN -0.092 nan 8.280 nan 0.000 0.514 199 R N 0.130 120.565 120.500 -0.109 0.000 2.249 199 R HA -0.089 4.251 4.340 0.000 0.000 0.230 199 R C 1.758 178.001 176.300 -0.096 0.000 1.121 199 R CA 1.717 57.730 56.100 -0.147 0.000 0.997 199 R CB -0.200 30.098 30.300 -0.003 0.000 0.867 199 R HN 0.606 nan 8.270 nan 0.000 0.465 200 T N -1.635 112.892 114.554 -0.045 0.000 2.978 200 T HA 0.061 4.411 4.350 0.000 0.000 0.262 200 T C 1.714 176.416 174.700 0.004 0.000 1.063 200 T CA 0.263 62.358 62.100 -0.008 0.000 1.140 200 T CB 0.144 69.022 68.868 0.016 0.000 0.886 200 T HN -0.068 nan 8.240 nan 0.000 0.470 201 K N 0.995 121.388 120.400 -0.012 0.000 2.288 201 K HA 0.224 4.545 4.320 0.000 0.000 0.201 201 K C 2.081 178.699 176.600 0.030 0.000 1.048 201 K CA 0.535 56.857 56.287 0.058 0.000 0.956 201 K CB -0.363 32.178 32.500 0.068 0.000 0.746 201 K HN 0.491 nan 8.250 nan 0.000 0.461 202 I N 1.051 121.559 120.570 -0.103 0.000 2.193 202 I HA -0.199 3.971 4.170 0.000 0.000 0.240 202 I C 1.985 178.065 176.117 -0.062 0.000 1.084 202 I CA 0.939 62.168 61.300 -0.119 0.000 1.365 202 I CB -0.175 37.713 38.000 -0.186 0.000 1.064 202 I HN 0.034 nan 8.210 nan 0.000 0.410 203 E N 0.697 120.876 120.200 -0.035 0.000 2.267 203 E HA -0.275 4.075 4.350 0.000 0.000 0.197 203 E C 1.839 178.452 176.600 0.022 0.000 0.998 203 E CA 1.050 57.447 56.400 -0.006 0.000 0.830 203 E CB -0.246 29.457 29.700 0.005 0.000 0.751 203 E HN 0.580 nan 8.360 nan 0.000 0.491 204 E N 0.323 120.557 120.200 0.056 0.000 2.230 204 E HA -0.033 4.317 4.350 0.000 0.000 0.192 204 E C 2.027 178.680 176.600 0.089 0.000 0.987 204 E CA 0.029 56.520 56.400 0.152 0.000 0.841 204 E CB 0.141 29.997 29.700 0.261 0.000 0.783 204 E HN 0.155 nan 8.360 nan 0.000 0.481 205 L N 0.364 121.510 121.223 -0.129 0.000 2.375 205 L HA 0.065 4.406 4.340 0.000 0.000 0.215 205 L C 2.450 179.182 176.870 -0.230 0.000 1.108 205 L CA 0.360 54.883 54.840 -0.528 0.000 0.830 205 L CB 0.039 41.808 42.059 -0.484 0.000 0.959 205 L HN -0.010 nan 8.230 nan 0.000 0.457 206 R N -0.717 119.727 120.500 -0.093 0.000 2.090 206 R HA -0.126 4.214 4.340 0.000 0.000 0.228 206 R C 2.225 178.533 176.300 0.013 0.000 1.110 206 R CA 1.226 57.306 56.100 -0.034 0.000 0.973 206 R CB -0.053 30.236 30.300 -0.018 0.000 0.869 206 R HN 0.321 nan 8.270 nan 0.000 0.440 207 Q N -0.707 119.113 119.800 0.034 0.000 2.079 207 Q HA -0.193 4.147 4.340 0.000 0.000 0.200 207 Q C 1.963 178.023 176.000 0.100 0.000 0.974 207 Q CA 1.853 57.696 55.803 0.066 0.000 0.840 207 Q CB -0.583 28.209 28.738 0.090 0.000 0.898 207 Q HN 0.571 nan 8.270 nan 0.000 0.430 208 H N 0.350 119.431 119.070 0.018 0.000 2.457 208 H HA -0.010 4.546 4.556 0.000 0.000 0.297 208 H C 1.706 177.191 175.328 0.262 0.000 1.092 208 H CA 1.138 57.245 56.048 0.098 0.000 1.309 208 H CB 0.083 29.733 29.762 -0.187 0.000 1.382 208 H HN 0.089 nan 8.280 nan 0.000 0.535 209 L N -0.765 120.572 121.223 0.188 0.000 2.463 209 L HA 0.035 4.375 4.340 0.000 0.000 0.219 209 L C 1.465 178.488 176.870 0.256 0.000 1.088 209 L CA 0.028 55.001 54.840 0.221 0.000 0.849 209 L CB 0.142 42.231 42.059 0.050 0.000 1.012 209 L HN 0.243 nan 8.230 nan 0.000 0.468 210 L N 0.067 121.369 121.223 0.132 0.000 2.650 210 L HA 0.017 4.358 4.340 0.000 0.000 0.235 210 L C 1.636 178.519 176.870 0.022 0.000 1.149 210 L CA 1.119 56.002 54.840 0.072 0.000 0.887 210 L CB -0.559 41.520 42.059 0.035 0.000 1.021 210 L HN 0.076 nan 8.230 nan 0.000 0.441 211 R N -2.057 118.440 120.500 -0.006 0.000 2.546 211 R HA 0.119 4.460 4.340 0.000 0.000 0.320 211 R C 0.119 176.053 176.300 -0.609 0.000 1.021 211 R CA 0.268 56.170 56.100 -0.331 0.000 1.088 211 R CB 0.128 30.128 30.300 -0.500 0.000 1.278 211 R HN 0.437 nan 8.270 nan 0.000 0.557 212 W N -1.315 119.953 121.300 -0.053 0.000 3.864 212 W HA 0.328 4.988 4.660 0.000 0.000 0.197 212 W C 0.973 177.488 176.519 -0.007 0.000 1.100 212 W CA 0.366 57.694 57.345 -0.029 0.000 1.557 212 W CB 0.654 30.099 29.460 -0.025 0.000 0.673 212 W HN 0.049 nan 8.180 nan 0.000 0.888 213 G N 0.675 109.609 108.800 0.223 0.000 2.828 213 G HA2 0.240 4.200 3.960 0.000 0.000 0.226 213 G HA3 0.240 4.200 3.960 0.000 0.000 0.226 213 G C -1.459 173.495 174.900 0.091 0.000 1.090 213 G CA -0.900 44.277 45.100 0.128 0.000 1.035 213 G HN -0.036 nan 8.290 nan 0.000 0.578 214 L N 0.196 121.473 121.223 0.090 0.000 2.439 214 L HA 0.835 5.175 4.340 0.000 0.000 0.270 214 L C 0.701 177.593 176.870 0.037 0.000 0.972 214 L CA -0.065 54.799 54.840 0.039 0.000 0.836 214 L CB 2.038 44.101 42.059 0.005 0.000 1.255 214 L HN 0.120 nan 8.230 nan 0.000 0.404 215 T N -1.300 113.268 114.554 0.023 0.000 3.048 215 T HA 0.048 4.398 4.350 0.000 0.000 0.254 215 T C 0.485 175.192 174.700 0.012 0.000 0.942 215 T CA 0.342 62.454 62.100 0.019 0.000 0.931 215 T CB 0.247 69.129 68.868 0.022 0.000 1.220 215 T HN 0.606 nan 8.240 nan 0.000 0.503 216 T N 5.630 120.191 114.554 0.013 0.000 2.308 216 T HA 0.006 4.356 4.350 0.000 0.000 0.204 216 T C -2.265 172.440 174.700 0.008 0.000 1.089 216 T CA -0.090 62.018 62.100 0.013 0.000 1.419 216 T CB 0.155 69.031 68.868 0.014 0.000 1.041 216 T HN 0.451 nan 8.240 nan 0.000 0.458 232 Y N 0.895 121.225 120.300 0.049 0.000 2.562 232 Y HA 0.792 5.343 4.550 0.000 0.000 0.343 232 Y C 0.176 176.124 175.900 0.080 0.000 1.025 232 Y CA -1.160 56.975 58.100 0.058 0.000 1.082 232 Y CB 1.393 39.883 38.460 0.050 0.000 1.264 232 Y HN 0.599 nan 8.280 nan 0.000 0.478 233 E N 3.493 123.745 120.200 0.087 0.000 2.383 233 E HA 0.385 4.735 4.350 0.000 0.000 0.264 233 E C -1.246 175.273 176.600 -0.136 0.000 1.050 233 E CA -0.474 55.942 56.400 0.027 0.000 0.896 233 E CB 1.694 31.493 29.700 0.165 0.000 0.982 233 E HN 0.861 nan 8.360 nan 0.000 0.424 234 L N -0.417 120.679 121.223 -0.212 0.000 2.847 234 L HA 0.369 4.709 4.340 0.000 0.000 0.261 234 L C -1.484 175.136 176.870 -0.418 0.000 0.926 234 L CA -0.763 53.840 54.840 -0.395 0.000 1.010 234 L CB 1.530 43.471 42.059 -0.196 0.000 1.538 234 L HN 0.529 nan 8.230 nan 0.000 0.465 235 H N 1.438 120.351 119.070 -0.261 0.000 2.551 235 H HA 0.458 5.015 4.556 0.000 0.000 0.321 235 H C -2.568 172.227 175.328 -0.890 0.000 1.028 235 H CA -2.390 53.397 56.048 -0.436 0.000 1.215 235 H CB 1.657 31.238 29.762 -0.302 0.000 1.414 235 H HN 0.441 nan 8.280 nan 0.000 0.480 236 P HA -0.122 nan 4.420 nan 0.000 0.225 236 P C 1.055 177.866 177.300 -0.815 0.000 1.148 236 P CA 1.094 63.289 63.100 -1.508 0.000 0.779 236 P CB 0.383 31.596 31.700 -0.813 0.000 0.780 237 D N -0.779 119.335 120.400 -0.476 0.000 2.277 237 D HA -0.116 4.524 4.640 0.000 0.000 0.208 237 D C 1.856 178.052 176.300 -0.173 0.000 0.962 237 D CA 0.775 54.630 54.000 -0.243 0.000 0.865 237 D CB -0.133 40.564 40.800 -0.172 0.000 0.939 237 D HN -0.157 nan 8.370 nan 0.000 0.510 238 K N -0.293 119.961 120.400 -0.243 0.000 2.211 238 K HA -0.044 4.276 4.320 0.000 0.000 0.203 238 K C -0.249 176.414 176.600 0.104 0.000 1.050 238 K CA 0.318 56.572 56.287 -0.054 0.000 0.945 238 K CB -0.101 32.408 32.500 0.014 0.000 0.732 238 K HN 0.061 nan 8.250 nan 0.000 0.451 239 W N 2.598 123.908 121.300 0.016 0.000 2.419 239 W HA 0.225 4.886 4.660 0.000 0.000 0.312 239 W C -0.191 176.333 176.519 0.009 0.000 1.323 239 W CA -0.613 56.739 57.345 0.012 0.000 1.293 239 W CB -0.843 28.615 29.460 -0.002 0.000 1.324 239 W HN -0.012 nan 8.180 nan 0.000 0.512 240 T N -0.772 113.915 114.554 0.221 0.000 2.907 240 T HA 0.615 4.965 4.350 0.000 0.000 0.292 240 T C -0.158 174.602 174.700 0.100 0.000 1.043 240 T CA -0.970 61.209 62.100 0.131 0.000 1.003 240 T CB 1.782 70.706 68.868 0.093 0.000 1.084 240 T HN 0.255 nan 8.240 nan 0.000 0.483 241 V N 0.222 120.183 119.914 0.079 0.000 2.686 241 V HA 0.569 4.689 4.120 0.000 0.000 0.295 241 V C -0.522 175.603 176.094 0.051 0.000 1.055 241 V CA -0.543 61.791 62.300 0.058 0.000 1.050 241 V CB 0.459 32.320 31.823 0.064 0.000 0.984 241 V HN 0.881 nan 8.190 nan 0.000 0.482 242 Q N 5.557 125.380 119.800 0.038 0.000 2.454 242 Q HA 0.481 4.821 4.340 0.000 0.000 0.255 242 Q C -2.018 174.023 176.000 0.069 0.000 1.034 242 Q CA -1.303 54.528 55.803 0.047 0.000 0.736 242 Q CB 1.657 30.415 28.738 0.033 0.000 1.210 242 Q HN 0.824 nan 8.270 nan 0.000 0.500 243 P HA 0.121 nan 4.420 nan 0.000 0.335 243 P C -0.512 176.871 177.300 0.138 0.000 1.379 243 P CA -0.264 62.907 63.100 0.119 0.000 0.794 243 P CB 0.853 32.613 31.700 0.100 0.000 1.849 244 I N -0.316 120.335 120.570 0.135 0.000 2.321 244 I HA 0.205 4.376 4.170 0.000 0.000 0.291 244 I C 0.217 176.379 176.117 0.075 0.000 0.998 244 I CA -0.771 60.602 61.300 0.121 0.000 1.227 244 I CB 1.649 39.721 38.000 0.120 0.000 1.368 244 I HN -0.057 nan 8.210 nan 0.000 0.466 245 V N 8.263 128.221 119.914 0.074 0.000 2.383 245 V HA 0.392 4.512 4.120 0.000 0.000 0.275 245 V C -0.116 176.014 176.094 0.060 0.000 1.036 245 V CA -0.470 61.865 62.300 0.059 0.000 0.889 245 V CB 1.043 32.901 31.823 0.059 0.000 0.985 245 V HN 0.516 nan 8.190 nan 0.000 0.459 246 L N 10.630 131.884 121.223 0.052 0.000 2.312 246 L HA 0.396 4.737 4.340 0.000 0.000 0.287 246 L C -1.583 175.349 176.870 0.102 0.000 1.091 246 L CA -1.575 53.299 54.840 0.057 0.000 0.846 246 L CB 0.854 42.930 42.059 0.028 0.000 1.219 246 L HN 0.568 nan 8.230 nan 0.000 0.439 247 P HA -0.078 nan 4.420 nan 0.000 0.267 247 P C -0.691 176.788 177.300 0.299 0.000 1.195 247 P CA 0.017 63.230 63.100 0.189 0.000 0.773 247 P CB 0.948 32.773 31.700 0.208 0.000 0.837 248 E N 1.422 121.743 120.200 0.201 0.000 2.224 248 E HA 0.457 4.808 4.350 0.000 0.000 0.265 248 E C -1.128 175.426 176.600 -0.077 0.000 0.878 248 E CA -0.641 55.869 56.400 0.183 0.000 0.759 248 E CB 1.276 31.045 29.700 0.115 0.000 1.164 248 E HN 0.269 nan 8.360 nan 0.000 0.414 249 K N 2.860 123.007 120.400 -0.422 0.000 2.480 249 K HA 0.364 4.684 4.320 0.000 0.000 0.258 249 K C -0.279 175.881 176.600 -0.735 0.000 0.990 249 K CA -0.830 55.055 56.287 -0.669 0.000 0.857 249 K CB 1.422 33.359 32.500 -0.939 0.000 1.384 249 K HN 0.402 nan 8.250 nan 0.000 0.446 250 D N 0.368 120.471 120.400 -0.494 0.000 2.149 250 D HA -0.078 4.562 4.640 0.000 0.000 0.206 250 D C 0.387 176.449 176.300 -0.396 0.000 0.967 250 D CA 1.202 54.995 54.000 -0.344 0.000 0.848 250 D CB 0.143 40.825 40.800 -0.197 0.000 0.998 250 D HN 0.482 nan 8.370 nan 0.000 0.474 251 S N -0.025 115.436 115.700 -0.397 0.000 2.410 251 S HA 0.290 4.761 4.470 0.000 0.000 0.304 251 S C -0.669 173.767 174.600 -0.273 0.000 1.095 251 S CA -0.819 57.230 58.200 -0.251 0.000 1.089 251 S CB -0.067 63.050 63.200 -0.139 0.000 0.968 251 S HN 0.161 nan 8.310 nan 0.000 0.480 252 W N 3.494 124.795 121.300 0.001 0.000 2.295 252 W HA 0.310 4.969 4.660 -0.000 0.000 0.333 252 W C 0.822 177.342 176.519 0.002 0.000 0.990 252 W CA -0.923 56.423 57.345 0.002 0.000 1.453 252 W CB 1.041 30.502 29.460 0.002 0.000 1.263 252 W HN 0.773 nan 8.180 nan 0.000 0.380 253 T N -1.635 113.102 114.554 0.305 0.000 2.828 253 T HA 0.092 4.442 4.350 0.000 0.000 0.290 253 T C 1.057 175.844 174.700 0.145 0.000 1.019 253 T CA -0.778 61.425 62.100 0.171 0.000 1.031 253 T CB 1.613 70.551 68.868 0.117 0.000 1.001 253 T HN 0.151 nan 8.240 nan 0.000 0.531 254 V N 1.761 121.727 119.914 0.086 0.000 2.332 254 V HA -0.230 3.890 4.120 0.000 0.000 0.248 254 V C 2.874 178.994 176.094 0.044 0.000 1.055 254 V CA 2.292 64.622 62.300 0.050 0.000 1.038 254 V CB -1.293 30.550 31.823 0.034 0.000 0.651 254 V HN 1.049 nan 8.190 nan 0.000 0.450 255 N N 0.063 118.797 118.700 0.057 0.000 2.094 255 N HA -0.256 4.485 4.740 0.000 0.000 0.191 255 N C 1.530 177.077 175.510 0.061 0.000 1.023 255 N CA 1.800 54.882 53.050 0.052 0.000 0.857 255 N CB -0.098 38.422 38.487 0.055 0.000 1.013 255 N HN 0.514 nan 8.380 nan 0.000 0.426 256 D N 0.722 121.187 120.400 0.108 0.000 2.178 256 D HA -0.071 4.569 4.640 0.000 0.000 0.202 256 D C 1.988 178.280 176.300 -0.013 0.000 0.974 256 D CA 0.605 54.688 54.000 0.138 0.000 0.841 256 D CB 0.028 41.064 40.800 0.393 0.000 0.953 256 D HN 0.454 nan 8.370 nan 0.000 0.478 257 I N 0.971 121.509 120.570 -0.053 0.000 2.617 257 I HA -0.155 4.015 4.170 0.000 0.000 0.256 257 I C 2.244 178.307 176.117 -0.089 0.000 1.167 257 I CA 0.623 61.830 61.300 -0.156 0.000 1.469 257 I CB -0.347 37.576 38.000 -0.128 0.000 1.098 257 I HN -0.043 nan 8.210 nan 0.000 0.436 258 Q N 1.688 121.468 119.800 -0.033 0.000 1.990 258 Q HA -0.150 4.191 4.340 0.000 0.000 0.200 258 Q C 2.193 178.192 176.000 -0.002 0.000 0.980 258 Q CA 1.506 57.301 55.803 -0.012 0.000 0.832 258 Q CB -0.360 28.383 28.738 0.009 0.000 0.897 258 Q HN 0.489 nan 8.270 nan 0.000 0.427 259 K N 0.730 121.137 120.400 0.011 0.000 2.063 259 K HA -0.099 4.221 4.320 0.000 0.000 0.208 259 K C 2.226 178.838 176.600 0.019 0.000 1.048 259 K CA 0.750 57.056 56.287 0.031 0.000 0.928 259 K CB -0.332 32.190 32.500 0.036 0.000 0.713 259 K HN 0.092 nan 8.250 nan 0.000 0.442 260 L N 1.059 122.259 121.223 -0.037 0.000 2.187 260 L HA -0.186 4.154 4.340 0.000 0.000 0.213 260 L C 1.910 178.747 176.870 -0.055 0.000 1.100 260 L CA 0.876 55.670 54.840 -0.077 0.000 0.765 260 L CB 0.061 41.988 42.059 -0.221 0.000 0.904 260 L HN -0.030 nan 8.230 nan 0.000 0.437 261 V N -0.796 119.090 119.914 -0.047 0.000 2.535 261 V HA -0.057 4.063 4.120 0.000 0.000 0.246 261 V C 2.540 178.639 176.094 0.007 0.000 1.045 261 V CA 1.366 63.643 62.300 -0.038 0.000 1.058 261 V CB -0.709 31.085 31.823 -0.049 0.000 0.689 261 V HN 0.589 nan 8.190 nan 0.000 0.461 262 G N 0.483 109.313 108.800 0.051 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 1.634 176.683 174.900 0.249 0.000 1.183 262 G CA 0.984 46.164 45.100 0.133 0.000 0.776 262 G HN 0.480 nan 8.290 nan 0.000 0.552 263 K N -0.304 120.231 120.400 0.224 0.000 2.097 263 K HA 0.110 4.431 4.320 0.000 0.000 0.205 263 K C 2.341 179.045 176.600 0.173 0.000 1.050 263 K CA 0.580 57.023 56.287 0.259 0.000 0.938 263 K CB -0.253 32.338 32.500 0.151 0.000 0.718 263 K HN 0.241 nan 8.250 nan 0.000 0.442 264 L N 1.380 122.649 121.223 0.076 0.000 2.551 264 L HA -0.107 4.233 4.340 0.000 0.000 0.228 264 L C 1.751 178.621 176.870 -0.001 0.000 1.153 264 L CA 0.644 55.498 54.840 0.024 0.000 0.851 264 L CB -0.113 41.931 42.059 -0.024 0.000 0.959 264 L HN 0.185 nan 8.230 nan 0.000 0.451 265 N N -1.308 117.387 118.700 -0.007 0.000 2.336 265 N HA -0.145 4.595 4.740 0.000 0.000 0.177 265 N C 1.571 176.959 175.510 -0.202 0.000 1.018 265 N CA 0.988 53.962 53.050 -0.127 0.000 0.878 265 N CB -0.206 38.164 38.487 -0.195 0.000 0.997 265 N HN 0.245 nan 8.380 nan 0.000 0.433 266 W N 1.101 122.319 121.300 -0.137 0.000 2.363 266 W HA 0.120 4.780 4.660 0.000 0.000 0.296 266 W C 2.312 178.696 176.519 -0.226 0.000 1.212 266 W CA 1.286 58.486 57.345 -0.241 0.000 1.260 266 W CB -0.383 28.905 29.460 -0.287 0.000 1.131 266 W HN 0.123 nan 8.180 nan 0.000 0.530 267 A N -0.500 122.392 122.820 0.121 0.000 2.070 267 A HA -0.164 4.156 4.320 0.000 0.000 0.220 267 A C 1.948 179.578 177.584 0.077 0.000 1.159 267 A CA 1.887 54.013 52.037 0.148 0.000 0.656 267 A CB -0.816 18.277 19.000 0.155 0.000 0.800 267 A HN 0.177 nan 8.150 nan 0.000 0.453 268 S N -0.188 115.479 115.700 -0.055 0.000 2.402 268 S HA -0.179 4.291 4.470 0.000 0.000 0.229 268 S C 1.913 176.403 174.600 -0.184 0.000 1.021 268 S CA 1.458 59.598 58.200 -0.100 0.000 0.974 268 S CB -0.218 62.893 63.200 -0.147 0.000 0.800 268 S HN 0.770 nan 8.310 nan 0.000 0.484 269 Q N 0.207 119.798 119.800 -0.348 0.000 2.245 269 Q HA 0.151 4.491 4.340 0.000 0.000 0.201 269 Q C 1.871 177.623 176.000 -0.414 0.000 0.955 269 Q CA 0.763 56.246 55.803 -0.533 0.000 0.870 269 Q CB -0.106 27.939 28.738 -1.154 0.000 0.945 269 Q HN 0.551 nan 8.270 nan 0.000 0.461 270 I N -1.075 119.311 120.570 -0.308 0.000 2.429 270 I HA -0.065 4.106 4.170 0.000 0.000 0.247 270 I C 0.050 175.897 176.117 -0.450 0.000 1.099 270 I CA 0.664 61.763 61.300 -0.336 0.000 1.422 270 I CB 0.164 37.936 38.000 -0.380 0.000 1.112 270 I HN 0.036 nan 8.210 nan 0.000 0.430 271 Y N 2.086 122.350 120.300 -0.060 0.000 2.328 271 Y HA 0.320 4.870 4.550 0.000 0.000 0.336 271 Y C -1.672 174.197 175.900 -0.051 0.000 0.960 271 Y CA -2.483 55.594 58.100 -0.038 0.000 1.134 271 Y CB 0.510 38.956 38.460 -0.023 0.000 1.166 271 Y HN -0.092 nan 8.280 nan 0.000 0.464 272 P HA -0.016 nan 4.420 nan 0.000 0.236 272 P C 1.013 178.336 177.300 0.038 0.000 1.177 272 P CA 0.887 64.005 63.100 0.031 0.000 0.773 272 P CB 0.400 32.109 31.700 0.015 0.000 0.878 273 G N 0.043 108.887 108.800 0.073 0.000 3.233 273 G HA2 0.122 4.083 3.960 0.000 0.000 0.227 273 G HA3 0.122 4.083 3.960 0.000 0.000 0.227 273 G C 0.532 175.441 174.900 0.016 0.000 1.175 273 G CA -0.152 44.972 45.100 0.041 0.000 0.781 273 G HN 0.115 nan 8.290 nan 0.000 0.542 274 I N 1.483 122.065 120.570 0.019 0.000 2.396 274 I HA 0.218 4.388 4.170 0.000 0.000 0.289 274 I C 0.035 176.136 176.117 -0.027 0.000 1.056 274 I CA -0.014 61.280 61.300 -0.011 0.000 1.365 274 I CB 0.753 38.754 38.000 0.001 0.000 1.407 274 I HN 0.009 nan 8.210 nan 0.000 0.509 275 K N 4.999 125.378 120.400 -0.034 0.000 2.221 275 K HA 0.454 4.774 4.320 0.000 0.000 0.258 275 K C 0.268 176.840 176.600 -0.046 0.000 0.944 275 K CA -0.393 55.871 56.287 -0.038 0.000 0.823 275 K CB 3.009 35.490 32.500 -0.032 0.000 1.113 275 K HN 0.369 nan 8.250 nan 0.000 0.431 276 V N 3.340 123.224 119.914 -0.050 0.000 3.426 276 V HA 0.006 4.126 4.120 0.000 0.000 0.279 276 V C 1.868 177.930 176.094 -0.053 0.000 1.544 276 V CA 0.405 62.672 62.300 -0.056 0.000 1.017 276 V CB 0.161 31.947 31.823 -0.062 0.000 0.821 276 V HN 0.806 nan 8.190 nan 0.000 0.432 277 R N 0.178 120.650 120.500 -0.046 0.000 2.103 277 R HA -0.241 4.099 4.340 0.000 0.000 0.234 277 R C 2.177 178.454 176.300 -0.038 0.000 1.132 277 R CA 2.583 58.659 56.100 -0.041 0.000 0.925 277 R CB -0.270 30.008 30.300 -0.036 0.000 0.842 277 R HN 0.426 nan 8.270 nan 0.000 0.430 278 Q N 0.534 120.312 119.800 -0.036 0.000 2.133 278 Q HA -0.211 4.130 4.340 0.000 0.000 0.208 278 Q C 2.120 178.097 176.000 -0.039 0.000 0.991 278 Q CA 1.482 57.265 55.803 -0.033 0.000 0.867 278 Q CB -0.577 28.143 28.738 -0.029 0.000 0.911 278 Q HN 0.356 nan 8.270 nan 0.000 0.417 279 L N 0.275 121.468 121.223 -0.050 0.000 2.083 279 L HA -0.113 4.227 4.340 0.000 0.000 0.209 279 L C 1.883 178.715 176.870 -0.063 0.000 1.083 279 L CA 1.619 56.420 54.840 -0.064 0.000 0.752 279 L CB -0.322 41.689 42.059 -0.080 0.000 0.899 279 L HN 0.047 nan 8.230 nan 0.000 0.433 280 S N -1.490 114.177 115.700 -0.054 0.000 2.527 280 S HA -0.074 4.396 4.470 0.000 0.000 0.222 280 S C 1.795 176.373 174.600 -0.037 0.000 0.985 280 S CA 0.386 58.557 58.200 -0.048 0.000 0.921 280 S CB -0.040 63.133 63.200 -0.046 0.000 0.772 280 S HN 0.273 nan 8.310 nan 0.000 0.529 281 K N 1.984 122.364 120.400 -0.033 0.000 2.280 281 K HA -0.039 4.281 4.320 0.000 0.000 0.202 281 K C 1.342 177.929 176.600 -0.021 0.000 1.047 281 K CA 0.754 57.026 56.287 -0.025 0.000 0.942 281 K CB -0.366 32.120 32.500 -0.023 0.000 0.739 281 K HN 0.456 nan 8.250 nan 0.000 0.457 282 L N -1.690 119.518 121.223 -0.024 0.000 2.627 282 L HA 0.266 4.606 4.340 0.000 0.000 0.232 282 L C 0.633 177.494 176.870 -0.015 0.000 1.150 282 L CA 0.759 55.588 54.840 -0.017 0.000 0.917 282 L CB 0.102 42.151 42.059 -0.017 0.000 1.104 282 L HN -0.045 nan 8.230 nan 0.000 0.445 283 L N -0.948 120.264 121.223 -0.018 0.000 2.858 283 L HA 0.346 4.686 4.340 0.000 0.000 0.251 283 L C 0.786 177.649 176.870 -0.011 0.000 1.149 283 L CA -0.391 54.440 54.840 -0.015 0.000 0.955 283 L CB 0.064 42.110 42.059 -0.022 0.000 1.289 283 L HN 0.174 nan 8.230 nan 0.000 0.542 284 R N 1.619 122.112 120.500 -0.012 0.000 2.537 284 R HA 0.317 4.657 4.340 0.000 0.000 0.281 284 R C 0.521 176.818 176.300 -0.006 0.000 0.988 284 R CA 0.783 56.877 56.100 -0.010 0.000 1.077 284 R CB -0.177 30.117 30.300 -0.010 0.000 0.932 284 R HN 0.219 nan 8.270 nan 0.000 0.409 285 G N 1.578 110.375 108.800 -0.005 0.000 2.879 285 G HA2 -0.229 3.731 3.960 0.000 0.000 0.686 285 G HA3 -0.229 3.731 3.960 0.000 0.000 0.686 285 G C -0.104 174.795 174.900 -0.001 0.000 1.115 285 G CA -0.472 44.627 45.100 -0.003 0.000 0.770 285 G HN 0.732 nan 8.290 nan 0.000 0.601 286 T N -0.454 114.100 114.554 0.000 0.000 2.765 286 T HA 0.484 4.834 4.350 0.000 0.000 0.284 286 T C 0.325 175.027 174.700 0.004 0.000 0.946 286 T CA 0.541 62.642 62.100 0.002 0.000 1.185 286 T CB 1.217 70.087 68.868 0.002 0.000 0.887 286 T HN 0.760 nan 8.240 nan 0.000 0.532 287 K N 1.944 122.347 120.400 0.006 0.000 2.352 287 K HA 0.720 5.041 4.320 0.000 0.000 0.240 287 K C 0.116 176.722 176.600 0.011 0.000 1.017 287 K CA -1.135 55.157 56.287 0.008 0.000 0.851 287 K CB 1.877 34.383 32.500 0.009 0.000 1.261 287 K HN 0.782 nan 8.250 nan 0.000 0.451 288 A N 1.482 124.310 122.820 0.013 0.000 2.386 288 A HA 0.110 4.430 4.320 0.000 0.000 0.246 288 A C 0.697 178.292 177.584 0.018 0.000 1.089 288 A CA -0.090 51.956 52.037 0.014 0.000 0.790 288 A CB 0.247 19.256 19.000 0.015 0.000 1.042 288 A HN 0.719 nan 8.150 nan 0.000 0.497 289 L N 0.692 121.927 121.223 0.019 0.000 2.102 289 L HA 0.017 4.357 4.340 0.000 0.000 0.202 289 L C 2.451 179.339 176.870 0.031 0.000 1.076 289 L CA 2.585 57.440 54.840 0.024 0.000 0.761 289 L CB -0.516 41.556 42.059 0.022 0.000 0.921 289 L HN 0.800 nan 8.230 nan 0.000 0.444 290 T N -1.034 113.537 114.554 0.027 0.000 2.995 290 T HA -0.103 4.247 4.350 0.000 0.000 0.269 290 T C 0.732 175.452 174.700 0.033 0.000 1.091 290 T CA 0.022 62.140 62.100 0.030 0.000 1.128 290 T CB -0.348 68.533 68.868 0.022 0.000 0.891 290 T HN 0.306 nan 8.240 nan 0.000 0.492 291 E N 2.176 122.394 120.200 0.030 0.000 2.585 291 E HA 0.037 4.387 4.350 0.000 0.000 0.252 291 E C -0.635 175.991 176.600 0.043 0.000 0.981 291 E CA -0.321 56.097 56.400 0.031 0.000 0.943 291 E CB 0.363 30.078 29.700 0.025 0.000 0.923 291 E HN 0.057 nan 8.360 nan 0.000 0.486 292 V N 6.432 126.372 119.914 0.043 0.000 2.555 292 V HA 0.114 4.234 4.120 0.000 0.000 0.286 292 V C 0.445 176.576 176.094 0.062 0.000 1.044 292 V CA -0.103 62.232 62.300 0.059 0.000 1.026 292 V CB 0.784 32.632 31.823 0.043 0.000 0.981 292 V HN 0.562 nan 8.190 nan 0.000 0.480 293 I N 6.353 126.977 120.570 0.090 0.000 2.545 293 I HA 0.487 4.658 4.170 0.000 0.000 0.292 293 I C -2.297 173.885 176.117 0.109 0.000 1.040 293 I CA -2.311 59.037 61.300 0.080 0.000 1.068 293 I CB 2.404 40.443 38.000 0.065 0.000 1.251 293 I HN 0.496 nan 8.210 nan 0.000 0.424 294 P HA 0.320 nan 4.420 nan 0.000 0.290 294 P C -0.728 176.624 177.300 0.086 0.000 1.276 294 P CA -0.675 62.479 63.100 0.090 0.000 0.808 294 P CB 1.842 33.576 31.700 0.057 0.000 0.966 295 L N 3.421 124.715 121.223 0.117 0.000 2.380 295 L HA 0.216 4.557 4.340 0.000 0.000 0.273 295 L C 1.370 178.272 176.870 0.053 0.000 1.138 295 L CA 0.634 55.525 54.840 0.085 0.000 0.832 295 L CB 0.530 42.667 42.059 0.131 0.000 1.124 295 L HN 0.577 nan 8.230 nan 0.000 0.454 296 T N -0.205 114.365 114.554 0.027 0.000 2.833 296 T HA 0.166 4.517 4.350 0.000 0.000 0.312 296 T C 0.895 175.605 174.700 0.017 0.000 1.085 296 T CA 0.105 62.216 62.100 0.018 0.000 0.955 296 T CB 0.370 69.243 68.868 0.007 0.000 1.353 296 T HN 0.702 nan 8.240 nan 0.000 0.544 297 E N 0.116 120.322 120.200 0.011 0.000 2.076 297 E HA -0.119 4.231 4.350 0.000 0.000 0.190 297 E C 1.834 178.436 176.600 0.003 0.000 0.979 297 E CA 0.822 57.227 56.400 0.009 0.000 0.807 297 E CB -0.070 29.634 29.700 0.007 0.000 0.761 297 E HN 0.728 nan 8.360 nan 0.000 0.454 298 E N 0.287 120.486 120.200 -0.002 0.000 2.358 298 E HA -0.024 4.326 4.350 0.000 0.000 0.195 298 E C 1.518 178.109 176.600 -0.015 0.000 1.010 298 E CA 0.818 57.213 56.400 -0.008 0.000 0.856 298 E CB 0.110 29.803 29.700 -0.011 0.000 0.795 298 E HN 0.343 nan 8.360 nan 0.000 0.504 299 A N 0.837 123.649 122.820 -0.014 0.000 1.935 299 A HA -0.073 4.248 4.320 0.000 0.000 0.214 299 A C 1.955 179.526 177.584 -0.021 0.000 1.178 299 A CA 0.765 52.786 52.037 -0.028 0.000 0.640 299 A CB -0.029 18.953 19.000 -0.031 0.000 0.825 299 A HN 0.012 nan 8.150 nan 0.000 0.447 300 E N -0.581 119.619 120.200 0.000 0.000 2.358 300 E HA -0.055 4.296 4.350 0.000 0.000 0.195 300 E C 1.560 178.163 176.600 0.005 0.000 1.010 300 E CA 0.412 56.820 56.400 0.014 0.000 0.856 300 E CB 0.047 29.766 29.700 0.032 0.000 0.795 300 E HN 0.501 nan 8.360 nan 0.000 0.504 301 L N 0.532 121.753 121.223 -0.003 0.000 2.478 301 L HA -0.002 4.338 4.340 0.000 0.000 0.223 301 L C 1.762 178.624 176.870 -0.013 0.000 1.140 301 L CA 1.291 56.128 54.840 -0.005 0.000 0.842 301 L CB 0.181 42.237 42.059 -0.006 0.000 0.953 301 L HN -0.039 nan 8.230 nan 0.000 0.452 302 E N -1.734 118.454 120.200 -0.021 0.000 2.364 302 E HA -0.029 4.322 4.350 0.000 0.000 0.203 302 E C 1.899 178.477 176.600 -0.036 0.000 0.888 302 E CA 0.134 56.515 56.400 -0.031 0.000 0.989 302 E CB 0.164 29.841 29.700 -0.040 0.000 0.985 302 E HN 0.356 nan 8.360 nan 0.000 0.499 303 L N 0.779 121.982 121.223 -0.034 0.000 2.131 303 L HA -0.052 4.288 4.340 0.000 0.000 0.210 303 L C 1.996 178.858 176.870 -0.013 0.000 1.092 303 L CA 2.018 56.837 54.840 -0.033 0.000 0.759 303 L CB -0.133 41.915 42.059 -0.018 0.000 0.903 303 L HN 0.144 nan 8.230 nan 0.000 0.435 304 A N -1.567 121.249 122.820 -0.006 0.000 1.984 304 A HA -0.042 4.278 4.320 0.000 0.000 0.214 304 A C 2.157 179.732 177.584 -0.014 0.000 1.173 304 A CA 0.878 52.913 52.037 -0.002 0.000 0.673 304 A CB -0.344 18.660 19.000 0.006 0.000 0.830 304 A HN 0.418 nan 8.150 nan 0.000 0.453 305 E N 0.939 121.127 120.200 -0.021 0.000 2.106 305 E HA -0.126 4.224 4.350 0.000 0.000 0.192 305 E C 1.682 178.256 176.600 -0.044 0.000 0.984 305 E CA 1.494 57.878 56.400 -0.027 0.000 0.806 305 E CB -0.119 29.566 29.700 -0.025 0.000 0.750 305 E HN 0.555 nan 8.360 nan 0.000 0.458 306 N N -0.156 118.513 118.700 -0.051 0.000 2.250 306 N HA -0.078 4.662 4.740 0.000 0.000 0.181 306 N C 1.654 177.113 175.510 -0.086 0.000 1.017 306 N CA 0.643 53.647 53.050 -0.076 0.000 0.866 306 N CB -0.216 38.229 38.487 -0.070 0.000 0.985 306 N HN 0.100 nan 8.380 nan 0.000 0.429 307 R N 1.081 121.549 120.500 -0.053 0.000 2.237 307 R HA -0.021 4.320 4.340 0.000 0.000 0.219 307 R C 1.700 177.973 176.300 -0.044 0.000 1.080 307 R CA 0.851 56.927 56.100 -0.040 0.000 0.995 307 R CB 0.238 30.533 30.300 -0.008 0.000 0.875 307 R HN 0.167 nan 8.270 nan 0.000 0.462 308 E N 0.317 120.489 120.200 -0.047 0.000 2.201 308 E HA -0.084 4.266 4.350 0.000 0.000 0.193 308 E C 1.654 178.217 176.600 -0.061 0.000 0.957 308 E CA 0.387 56.765 56.400 -0.037 0.000 0.858 308 E CB 0.071 29.759 29.700 -0.020 0.000 0.816 308 E HN 0.314 nan 8.360 nan 0.000 0.475 309 I N 1.027 121.540 120.570 -0.095 0.000 2.830 309 I HA -0.083 4.087 4.170 0.000 0.000 0.263 309 I C 1.438 177.380 176.117 -0.292 0.000 1.230 309 I CA 0.465 61.681 61.300 -0.138 0.000 1.480 309 I CB 0.185 38.106 38.000 -0.133 0.000 1.095 309 I HN 0.013 nan 8.210 nan 0.000 0.455 310 L N 1.134 122.187 121.223 -0.284 0.000 2.796 310 L HA 0.159 4.499 4.340 0.000 0.000 0.235 310 L C 0.886 177.670 176.870 -0.144 0.000 1.344 310 L CA 0.228 54.853 54.840 -0.357 0.000 1.245 310 L CB -0.594 41.313 42.059 -0.253 0.000 1.556 310 L HN 0.162 nan 8.230 nan 0.000 0.423 311 K N -0.449 119.895 120.400 -0.093 0.000 2.625 311 K HA 0.179 4.500 4.320 0.000 0.000 0.202 311 K C -0.134 176.486 176.600 0.033 0.000 1.412 311 K CA -0.203 56.079 56.287 -0.008 0.000 0.989 311 K CB 0.602 33.102 32.500 -0.000 0.000 1.682 311 K HN 0.143 nan 8.250 nan 0.000 0.496 312 E N 3.285 123.507 120.200 0.035 0.000 2.259 312 E HA 0.133 4.484 4.350 0.000 0.000 0.281 312 E C -2.362 174.262 176.600 0.040 0.000 1.027 312 E CA -1.944 54.477 56.400 0.037 0.000 0.838 312 E CB 0.441 30.172 29.700 0.053 0.000 1.066 312 E HN 0.098 nan 8.360 nan 0.000 0.401 313 P HA -0.077 nan 4.420 nan 0.000 0.272 313 P C -0.284 176.918 177.300 -0.163 0.000 1.243 313 P CA -0.310 62.795 63.100 0.008 0.000 0.803 313 P CB 0.414 32.103 31.700 -0.018 0.000 0.974 314 V N 1.070 120.869 119.914 -0.193 0.000 2.694 314 V HA -0.057 4.063 4.120 0.000 0.000 0.306 314 V C 0.697 176.624 176.094 -0.277 0.000 1.054 314 V CA 0.463 62.612 62.300 -0.251 0.000 1.161 314 V CB -1.184 30.486 31.823 -0.256 0.000 0.916 314 V HN 0.491 nan 8.190 nan 0.000 0.490 315 H N 2.316 121.374 119.070 -0.020 0.000 2.527 315 H HA 0.547 5.104 4.556 0.000 0.000 0.321 315 H C 1.000 176.273 175.328 -0.092 0.000 1.087 315 H CA 0.584 56.613 56.048 -0.032 0.000 1.337 315 H CB 1.084 30.854 29.762 0.014 0.000 1.440 315 H HN 1.017 nan 8.280 nan 0.000 0.490 316 G N 1.921 110.676 108.800 -0.075 0.000 2.141 316 G HA2 -0.203 3.757 3.960 0.000 0.000 0.195 316 G HA3 -0.203 3.757 3.960 0.000 0.000 0.195 316 G C -0.605 173.930 174.900 -0.608 0.000 1.012 316 G CA 0.011 44.962 45.100 -0.248 0.000 0.696 316 G HN 0.688 nan 8.290 nan 0.000 0.508 317 V N 0.570 120.027 119.914 -0.760 0.000 2.588 317 V HA 0.906 5.027 4.120 0.000 0.000 0.304 317 V C -0.649 175.007 176.094 -0.730 0.000 1.042 317 V CA -1.116 60.794 62.300 -0.650 0.000 0.877 317 V CB 1.268 32.929 31.823 -0.270 0.000 0.996 317 V HN 0.491 nan 8.190 nan 0.000 0.425 318 Y N 4.763 125.074 120.300 0.018 0.000 2.634 318 Y HA 0.558 5.109 4.550 0.000 0.000 0.340 318 Y C -0.673 175.230 175.900 0.005 0.000 1.058 318 Y CA -1.255 56.866 58.100 0.036 0.000 1.081 318 Y CB 1.174 39.655 38.460 0.035 0.000 1.295 318 Y HN 0.688 nan 8.280 nan 0.000 0.487 319 Y N 1.462 121.809 120.300 0.079 0.000 2.299 319 Y HA 0.492 5.042 4.550 0.000 0.000 0.326 319 Y C -0.946 174.928 175.900 -0.043 0.000 1.164 319 Y CA -0.556 57.484 58.100 -0.100 0.000 1.234 319 Y CB 1.137 39.480 38.460 -0.194 0.000 1.219 319 Y HN 0.694 nan 8.280 nan 0.000 0.497 320 D N 7.213 126.989 120.400 -1.040 0.000 2.763 320 D HA 0.286 4.926 4.640 0.000 0.000 0.235 320 D C -2.382 173.395 176.300 -0.871 0.000 1.334 320 D CA -1.969 51.600 54.000 -0.718 0.000 0.950 320 D CB 2.052 42.667 40.800 -0.308 0.000 1.433 320 D HN 0.324 nan 8.370 nan 0.000 0.580 321 P HA -0.057 nan 4.420 nan 0.000 0.233 321 P C 1.076 178.297 177.300 -0.132 0.000 1.167 321 P CA 0.326 63.264 63.100 -0.270 0.000 0.770 321 P CB 0.488 32.192 31.700 0.006 0.000 0.837 322 S N -0.717 114.892 115.700 -0.151 0.000 2.481 322 S HA -0.006 4.464 4.470 0.000 0.000 0.231 322 S C 0.781 175.329 174.600 -0.086 0.000 0.996 322 S CA 0.500 58.648 58.200 -0.086 0.000 0.942 322 S CB -0.410 62.742 63.200 -0.079 0.000 0.768 322 S HN 0.165 nan 8.310 nan 0.000 0.520 323 K N 1.895 122.214 120.400 -0.134 0.000 2.292 323 K HA 0.362 4.682 4.320 0.000 0.000 0.257 323 K C -1.092 175.437 176.600 -0.119 0.000 0.940 323 K CA -0.817 55.401 56.287 -0.115 0.000 0.811 323 K CB 1.362 33.785 32.500 -0.128 0.000 1.120 323 K HN 0.091 nan 8.250 nan 0.000 0.428 324 D N 1.151 121.506 120.400 -0.075 0.000 2.319 324 D HA -0.021 4.620 4.640 0.000 0.000 0.235 324 D C -0.493 175.738 176.300 -0.115 0.000 1.304 324 D CA 0.033 53.999 54.000 -0.057 0.000 0.894 324 D CB 0.408 41.188 40.800 -0.034 0.000 1.183 324 D HN 0.122 nan 8.370 nan 0.000 0.472 325 L N 0.782 121.947 121.223 -0.096 0.000 2.295 325 L HA 0.441 4.782 4.340 0.000 0.000 0.285 325 L C -1.117 175.609 176.870 -0.241 0.000 1.035 325 L CA -0.368 54.373 54.840 -0.165 0.000 0.806 325 L CB 1.101 43.114 42.059 -0.076 0.000 1.214 325 L HN 0.226 nan 8.230 nan 0.000 0.426 326 I N 4.612 124.935 120.570 -0.412 0.000 2.433 326 I HA 0.730 4.900 4.170 0.000 0.000 0.292 326 I C -0.173 175.590 176.117 -0.589 0.000 1.001 326 I CA -0.296 60.687 61.300 -0.528 0.000 1.119 326 I CB 1.821 39.390 38.000 -0.720 0.000 1.289 326 I HN 0.653 nan 8.210 nan 0.000 0.438 327 A N 4.835 127.334 122.820 -0.535 0.000 2.350 327 A HA 0.850 5.170 4.320 0.000 0.000 0.324 327 A C -0.737 176.685 177.584 -0.269 0.000 1.118 327 A CA -0.499 51.236 52.037 -0.504 0.000 0.783 327 A CB 1.301 19.628 19.000 -1.122 0.000 1.236 327 A HN 0.729 nan 8.150 nan 0.000 0.457 328 E N 1.716 121.900 120.200 -0.027 0.000 2.275 328 E HA 0.590 4.940 4.350 0.000 0.000 0.270 328 E C -1.803 174.887 176.600 0.150 0.000 0.882 328 E CA -0.524 55.929 56.400 0.090 0.000 0.758 328 E CB 1.235 31.041 29.700 0.176 0.000 1.195 328 E HN 0.501 nan 8.360 nan 0.000 0.419 329 I N 2.711 123.385 120.570 0.174 0.000 2.646 329 I HA 0.321 4.491 4.170 0.000 0.000 0.299 329 I C -0.945 175.312 176.117 0.234 0.000 1.036 329 I CA -0.568 60.874 61.300 0.236 0.000 1.074 329 I CB 2.029 40.182 38.000 0.255 0.000 1.258 329 I HN 0.441 nan 8.210 nan 0.000 0.430 330 Q N 3.720 123.664 119.800 0.239 0.000 2.304 330 Q HA 0.471 4.811 4.340 0.000 0.000 0.270 330 Q C -0.699 175.367 176.000 0.110 0.000 1.035 330 Q CA -0.882 55.021 55.803 0.166 0.000 0.781 330 Q CB 2.296 31.110 28.738 0.127 0.000 1.261 330 Q HN 0.426 nan 8.270 nan 0.000 0.444 331 K N 1.130 121.508 120.400 -0.036 0.000 2.286 331 K HA 0.019 4.339 4.320 0.000 0.000 0.256 331 K C -0.002 176.383 176.600 -0.358 0.000 0.999 331 K CA 0.516 56.517 56.287 -0.477 0.000 0.908 331 K CB 0.568 32.714 32.500 -0.590 0.000 0.981 331 K HN 0.643 nan 8.250 nan 0.000 0.500 332 Q N 0.360 119.870 119.800 -0.484 0.000 2.063 332 Q HA 0.171 4.512 4.340 0.000 0.000 0.234 332 Q C 0.058 175.902 176.000 -0.259 0.000 0.748 332 Q CA 0.586 56.227 55.803 -0.271 0.000 0.915 332 Q CB 1.540 30.183 28.738 -0.158 0.000 1.188 332 Q HN 0.992 nan 8.270 nan 0.000 0.456 333 G N 1.355 109.936 108.800 -0.365 0.000 2.661 333 G HA2 -0.197 3.763 3.960 0.000 0.000 0.685 333 G HA3 -0.197 3.763 3.960 0.000 0.000 0.685 333 G C -0.268 174.538 174.900 -0.158 0.000 1.298 333 G CA -0.040 44.918 45.100 -0.236 0.000 0.855 333 G HN 0.079 nan 8.290 nan 0.000 0.560 334 Q N -1.855 117.891 119.800 -0.090 0.000 2.284 334 Q HA -0.131 4.209 4.340 0.000 0.000 0.205 334 Q C 2.280 178.281 176.000 0.001 0.000 0.682 334 Q CA 3.567 59.349 55.803 -0.036 0.000 1.401 334 Q CB -1.570 27.151 28.738 -0.028 0.000 1.643 334 Q HN 2.866 nan 8.270 nan 0.000 0.717 335 G N -1.019 107.773 108.800 -0.013 0.000 2.175 335 G HA2 -0.359 3.601 3.960 0.000 0.000 0.244 335 G HA3 -0.359 3.601 3.960 0.000 0.000 0.244 335 G C -0.084 174.972 174.900 0.260 0.000 0.982 335 G CA 0.267 45.455 45.100 0.147 0.000 0.641 335 G HN 0.464 nan 8.290 nan 0.000 0.527 336 Q N -0.695 119.141 119.800 0.060 0.000 2.260 336 Q HA 0.599 4.939 4.340 0.000 0.000 0.242 336 Q C -0.679 175.358 176.000 0.061 0.000 0.932 336 Q CA -0.709 55.203 55.803 0.181 0.000 0.891 336 Q CB 0.745 29.521 28.738 0.063 0.000 1.222 336 Q HN 0.321 nan 8.270 nan 0.000 0.453 337 W N 0.069 121.491 121.300 0.203 0.000 3.062 337 W HA 0.465 5.126 4.660 0.001 0.000 0.336 337 W C -1.019 175.614 176.519 0.190 0.000 1.224 337 W CA -0.454 57.000 57.345 0.181 0.000 1.159 337 W CB 1.661 31.229 29.460 0.180 0.000 1.454 337 W HN 0.632 nan 8.180 nan 0.000 0.569 338 T N -0.548 114.223 114.554 0.362 0.000 2.912 338 T HA 0.794 5.144 4.350 0.000 0.000 0.299 338 T C -1.362 173.443 174.700 0.175 0.000 1.052 338 T CA -0.811 61.394 62.100 0.174 0.000 0.996 338 T CB 1.894 70.768 68.868 0.010 0.000 1.070 338 T HN 0.572 nan 8.240 nan 0.000 0.465 339 Y N -0.462 119.828 120.300 -0.016 0.000 2.625 339 Y HA 0.813 5.364 4.550 0.000 0.000 0.338 339 Y C -0.855 174.985 175.900 -0.100 0.000 1.123 339 Y CA -1.290 56.787 58.100 -0.039 0.000 1.046 339 Y CB 1.637 40.120 38.460 0.038 0.000 1.299 339 Y HN 0.923 nan 8.280 nan 0.000 0.464 340 Q N 1.233 121.095 119.800 0.103 0.000 2.496 340 Q HA 0.769 5.109 4.340 0.000 0.000 0.286 340 Q C -1.881 174.250 176.000 0.218 0.000 1.103 340 Q CA -1.189 54.658 55.803 0.072 0.000 0.813 340 Q CB 2.528 31.287 28.738 0.035 0.000 1.444 340 Q HN 0.822 nan 8.270 nan 0.000 0.443 341 I N 3.152 123.845 120.570 0.205 0.000 2.560 341 I HA 0.307 4.477 4.170 0.000 0.000 0.283 341 I C -1.539 174.650 176.117 0.119 0.000 1.115 341 I CA -0.656 60.715 61.300 0.118 0.000 1.066 341 I CB 1.065 39.169 38.000 0.172 0.000 1.221 341 I HN 0.671 nan 8.210 nan 0.000 0.450 342 Y N 3.776 124.022 120.300 -0.090 0.000 2.609 342 Y HA 0.545 5.095 4.550 0.001 0.000 0.342 342 Y C 0.213 176.032 175.900 -0.136 0.000 1.058 342 Y CA -0.846 57.188 58.100 -0.111 0.000 1.055 342 Y CB 1.245 39.643 38.460 -0.103 0.000 1.292 342 Y HN 0.288 nan 8.280 nan 0.000 0.476 343 Q N 0.411 120.188 119.800 -0.040 0.000 2.274 343 Q HA 0.187 4.528 4.340 0.000 0.000 0.198 343 Q C -0.456 175.546 176.000 0.004 0.000 0.955 343 Q CA 0.937 56.671 55.803 -0.116 0.000 0.859 343 Q CB 0.487 29.149 28.738 -0.127 0.000 0.956 343 Q HN 0.736 nan 8.270 nan 0.000 0.516 344 E N 0.942 121.209 120.200 0.113 0.000 2.212 344 E HA 0.381 4.732 4.350 0.000 0.000 0.268 344 E C -2.499 174.191 176.600 0.149 0.000 0.902 344 E CA -2.427 54.045 56.400 0.119 0.000 0.779 344 E CB 1.553 31.279 29.700 0.044 0.000 1.172 344 E HN -0.082 nan 8.360 nan 0.000 0.409 345 P HA -0.106 nan 4.420 nan 0.000 0.259 345 P C -0.320 176.831 177.300 -0.247 0.000 1.163 345 P CA 0.682 63.593 63.100 -0.315 0.000 0.760 345 P CB -0.037 31.524 31.700 -0.231 0.000 0.762 346 F N 0.659 120.416 119.950 -0.321 0.000 2.705 346 F HA -0.252 4.276 4.527 0.000 0.000 0.413 346 F C 0.959 176.650 175.800 -0.181 0.000 0.588 346 F CA 1.113 58.975 58.000 -0.230 0.000 1.187 346 F CB -1.491 37.415 39.000 -0.156 0.000 1.737 346 F HN 0.344 nan 8.300 nan 0.000 0.285 347 K N 2.327 122.722 120.400 -0.007 0.000 2.765 347 K HA 0.228 4.548 4.320 0.000 0.000 0.246 347 K C 0.128 176.737 176.600 0.015 0.000 1.254 347 K CA -0.130 56.148 56.287 -0.015 0.000 1.219 347 K CB -0.440 32.053 32.500 -0.012 0.000 1.747 347 K HN 0.498 nan 8.250 nan 0.000 0.372 348 N N 0.147 118.853 118.700 0.010 0.000 2.395 348 N HA -0.046 4.695 4.740 0.000 0.000 0.246 348 N C 0.698 176.240 175.510 0.054 0.000 1.246 348 N CA 0.106 53.198 53.050 0.069 0.000 0.879 348 N CB 0.730 39.252 38.487 0.057 0.000 1.098 348 N HN 0.160 nan 8.380 nan 0.000 0.444 349 L N -0.948 120.326 121.223 0.084 0.000 2.433 349 L HA 0.282 4.622 4.340 0.000 0.000 0.200 349 L C 0.895 177.869 176.870 0.174 0.000 1.059 349 L CA 0.344 55.241 54.840 0.096 0.000 0.835 349 L CB 0.005 42.069 42.059 0.008 0.000 1.076 349 L HN 0.605 nan 8.230 nan 0.000 0.481 350 K N 0.546 121.056 120.400 0.183 0.000 2.443 350 K HA 0.282 4.602 4.320 0.000 0.000 0.252 350 K C -0.807 175.828 176.600 0.057 0.000 0.933 350 K CA -0.393 55.988 56.287 0.155 0.000 0.792 350 K CB 1.806 34.441 32.500 0.223 0.000 1.185 350 K HN -0.060 nan 8.250 nan 0.000 0.425 351 T N 0.545 115.102 114.554 0.005 0.000 2.929 351 T HA 0.553 4.903 4.350 0.000 0.000 0.331 351 T C 0.071 174.659 174.700 -0.187 0.000 1.120 351 T CA -0.649 61.408 62.100 -0.070 0.000 0.973 351 T CB 0.816 69.697 68.868 0.022 0.000 1.036 351 T HN 0.544 nan 8.240 nan 0.000 0.502 352 G N 2.252 110.763 108.800 -0.481 0.000 2.448 352 G HA2 0.600 4.560 3.960 0.000 0.000 0.324 352 G HA3 0.600 4.560 3.960 0.000 0.000 0.324 352 G C -1.246 173.189 174.900 -0.775 0.000 1.203 352 G CA -0.987 43.710 45.100 -0.673 0.000 0.954 352 G HN 0.817 nan 8.290 nan 0.000 0.480 353 K N 0.284 120.509 120.400 -0.291 0.000 2.267 353 K HA 0.603 4.923 4.320 0.000 0.000 0.246 353 K C -1.855 174.874 176.600 0.216 0.000 0.954 353 K CA -0.880 55.385 56.287 -0.035 0.000 0.824 353 K CB 2.106 34.604 32.500 -0.003 0.000 1.167 353 K HN 0.469 nan 8.250 nan 0.000 0.431 354 Y N 0.970 121.379 120.300 0.183 0.000 2.485 354 Y HA 0.610 5.160 4.550 0.000 0.000 0.345 354 Y C -1.201 174.811 175.900 0.185 0.000 0.998 354 Y CA -0.558 57.672 58.100 0.217 0.000 1.059 354 Y CB 2.112 40.740 38.460 0.281 0.000 1.234 354 Y HN 0.703 nan 8.280 nan 0.000 0.461 355 A N 5.759 128.297 122.820 -0.470 0.000 2.356 355 A HA 0.674 4.994 4.320 0.000 0.000 0.323 355 A C -0.769 176.631 177.584 -0.308 0.000 1.119 355 A CA -1.017 50.867 52.037 -0.255 0.000 0.790 355 A CB 1.144 20.029 19.000 -0.191 0.000 1.273 355 A HN 0.877 nan 8.150 nan 0.000 0.452 356 R N 1.425 121.904 120.500 -0.034 0.000 2.679 356 R HA 0.309 4.649 4.340 0.000 0.000 0.269 356 R C -0.345 175.923 176.300 -0.052 0.000 1.076 356 R CA -0.309 55.815 56.100 0.040 0.000 1.160 356 R CB 0.280 30.633 30.300 0.088 0.000 1.054 356 R HN 0.736 nan 8.270 nan 0.000 0.507 357 M N 4.852 124.426 119.600 -0.044 0.000 3.213 357 M HA 0.072 4.552 4.480 0.000 0.000 0.275 357 M C 0.646 176.882 176.300 -0.107 0.000 1.424 357 M CA 0.255 55.493 55.300 -0.104 0.000 1.561 357 M CB -0.012 32.490 32.600 -0.163 0.000 1.109 357 M HN 0.784 nan 8.290 nan 0.000 0.552 358 R N 0.523 120.983 120.500 -0.067 0.000 3.657 358 R HA -0.245 4.095 4.340 0.000 0.000 0.533 358 R C 0.575 176.854 176.300 -0.036 0.000 0.241 358 R CA 2.216 58.289 56.100 -0.045 0.000 1.659 358 R CB -1.222 29.047 30.300 -0.052 0.000 0.920 358 R HN 0.813 nan 8.270 nan 0.000 0.599 359 G N -3.485 105.298 108.800 -0.028 0.000 3.247 359 G HA2 0.558 4.518 3.960 0.000 0.000 0.226 359 G HA3 0.558 4.518 3.960 0.000 0.000 0.226 359 G C -0.019 174.908 174.900 0.044 0.000 1.220 359 G CA 0.192 45.295 45.100 0.005 0.000 0.875 359 G HN 1.481 nan 8.290 nan 0.000 0.606 360 A N -2.025 120.843 122.820 0.079 0.000 3.829 360 A HA -0.224 4.096 4.320 0.000 0.000 0.264 360 A C 1.286 178.991 177.584 0.201 0.000 0.998 360 A CA 2.169 54.281 52.037 0.126 0.000 1.270 360 A CB -2.357 16.727 19.000 0.138 0.000 1.063 360 A HN 0.800 nan 8.150 nan 0.000 0.879 361 H N -1.384 117.673 119.070 -0.023 0.000 2.332 361 H HA 0.153 4.710 4.556 0.000 0.000 0.316 361 H C 0.580 175.884 175.328 -0.040 0.000 1.069 361 H CA 0.753 56.775 56.048 -0.042 0.000 1.484 361 H CB 0.397 30.124 29.762 -0.057 0.000 1.496 361 H HN 0.754 nan 8.280 nan 0.000 0.623 362 T N 1.811 116.442 114.554 0.128 0.000 3.102 362 T HA -0.199 4.151 4.350 0.000 0.000 0.447 362 T C -0.681 174.040 174.700 0.035 0.000 0.772 362 T CA 0.446 62.587 62.100 0.068 0.000 2.328 362 T CB -1.396 67.495 68.868 0.039 0.000 1.672 362 T HN 0.480 nan 8.240 nan 0.000 0.625 363 N N 0.533 119.262 118.700 0.047 0.000 2.549 363 N HA 0.382 5.122 4.740 0.000 0.000 0.290 363 N C 0.240 175.794 175.510 0.075 0.000 1.122 363 N CA -0.689 52.357 53.050 -0.007 0.000 0.885 363 N CB 1.592 39.990 38.487 -0.149 0.000 1.455 363 N HN 0.032 nan 8.380 nan 0.000 0.521 364 D N 1.492 121.980 120.400 0.147 0.000 2.097 364 D HA -0.134 4.507 4.640 0.000 0.000 0.195 364 D C 1.936 178.374 176.300 0.230 0.000 0.989 364 D CA 1.762 55.958 54.000 0.328 0.000 0.827 364 D CB -0.019 40.975 40.800 0.323 0.000 0.966 364 D HN 0.483 nan 8.370 nan 0.000 0.456 365 V N -0.006 119.999 119.914 0.151 0.000 2.295 365 V HA -0.207 3.913 4.120 0.000 0.000 0.246 365 V C 2.353 178.497 176.094 0.083 0.000 1.049 365 V CA 1.657 64.076 62.300 0.200 0.000 1.024 365 V CB -0.778 31.223 31.823 0.297 0.000 0.648 365 V HN 0.038 nan 8.190 nan 0.000 0.447 366 K N 0.070 120.380 120.400 -0.150 0.000 2.032 366 K HA -0.246 4.074 4.320 0.000 0.000 0.209 366 K C 2.422 178.923 176.600 -0.165 0.000 1.048 366 K CA 2.143 58.249 56.287 -0.301 0.000 0.927 366 K CB -0.222 31.910 32.500 -0.614 0.000 0.712 366 K HN 0.617 nan 8.250 nan 0.000 0.441 367 Q N 0.480 120.193 119.800 -0.146 0.000 2.170 367 Q HA -0.131 4.209 4.340 0.000 0.000 0.203 367 Q C 2.185 177.825 176.000 -0.601 0.000 0.976 367 Q CA 1.152 56.811 55.803 -0.239 0.000 0.858 367 Q CB -0.013 28.703 28.738 -0.036 0.000 0.907 367 Q HN 0.340 nan 8.270 nan 0.000 0.433 368 L N 0.373 121.236 121.223 -0.599 0.000 2.005 368 L HA -0.190 4.150 4.340 0.000 0.000 0.207 368 L C 2.583 179.270 176.870 -0.304 0.000 1.072 368 L CA 1.768 56.215 54.840 -0.654 0.000 0.744 368 L CB -0.554 41.313 42.059 -0.320 0.000 0.895 368 L HN 0.415 nan 8.230 nan 0.000 0.433 369 T N -3.616 110.921 114.554 -0.029 0.000 2.803 369 T HA -0.243 4.107 4.350 0.000 0.000 0.269 369 T C 1.562 176.156 174.700 -0.176 0.000 1.052 369 T CA 1.537 63.686 62.100 0.082 0.000 1.136 369 T CB -0.398 68.601 68.868 0.219 0.000 0.864 369 T HN 0.418 nan 8.240 nan 0.000 0.467 370 E N 1.308 121.356 120.200 -0.254 0.000 2.072 370 E HA 0.073 4.423 4.350 0.000 0.000 0.190 370 E C 2.711 179.046 176.600 -0.442 0.000 0.982 370 E CA 0.851 57.077 56.400 -0.290 0.000 0.803 370 E CB -0.344 29.247 29.700 -0.181 0.000 0.755 370 E HN 0.659 nan 8.360 nan 0.000 0.453 371 A N 0.984 123.376 122.820 -0.714 0.000 1.908 371 A HA -0.173 4.147 4.320 0.000 0.000 0.218 371 A C 2.493 179.750 177.584 -0.545 0.000 1.181 371 A CA 1.330 52.803 52.037 -0.941 0.000 0.627 371 A CB -0.782 17.618 19.000 -1.000 0.000 0.818 371 A HN 0.117 nan 8.150 nan 0.000 0.445 372 V N 0.109 119.760 119.914 -0.438 0.000 2.255 372 V HA -0.373 3.747 4.120 0.000 0.000 0.247 372 V C 2.688 178.617 176.094 -0.274 0.000 1.051 372 V CA 2.434 64.442 62.300 -0.486 0.000 1.018 372 V CB -1.103 30.389 31.823 -0.552 0.000 0.641 372 V HN 0.683 nan 8.190 nan 0.000 0.445 373 Q N -0.279 119.379 119.800 -0.237 0.000 2.061 373 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 373 Q C 2.254 178.287 176.000 0.055 0.000 0.984 373 Q CA 1.215 56.983 55.803 -0.059 0.000 0.846 373 Q CB -0.299 28.255 28.738 -0.306 0.000 0.902 373 Q HN 0.448 nan 8.270 nan 0.000 0.421 374 K N 0.223 120.582 120.400 -0.069 0.000 2.442 374 K HA -0.084 4.236 4.320 0.000 0.000 0.198 374 K C 1.669 178.193 176.600 -0.126 0.000 1.044 374 K CA 0.743 57.011 56.287 -0.030 0.000 0.948 374 K CB 0.122 32.640 32.500 0.028 0.000 0.762 374 K HN 0.236 nan 8.250 nan 0.000 0.472 375 I N 0.188 120.664 120.570 -0.157 0.000 2.729 375 I HA -0.085 4.085 4.170 0.000 0.000 0.256 375 I C 2.015 178.152 176.117 0.033 0.000 1.115 375 I CA 0.917 62.104 61.300 -0.187 0.000 1.446 375 I CB -1.493 36.384 38.000 -0.205 0.000 1.176 375 I HN -0.006 nan 8.210 nan 0.000 0.446 376 T N 0.985 115.672 114.554 0.222 0.000 2.635 376 T HA -0.207 4.143 4.350 0.000 0.000 0.267 376 T C 1.896 176.609 174.700 0.022 0.000 1.040 376 T CA 2.447 64.712 62.100 0.275 0.000 1.156 376 T CB -0.851 68.320 68.868 0.505 0.000 0.863 376 T HN 0.303 nan 8.240 nan 0.000 0.430 377 T N 2.311 116.865 114.554 0.000 0.000 2.653 377 T HA -0.175 4.175 4.350 0.000 0.000 0.268 377 T C 1.840 176.390 174.700 -0.251 0.000 1.035 377 T CA 1.642 63.655 62.100 -0.146 0.000 1.154 377 T CB -0.461 68.414 68.868 0.011 0.000 0.862 377 T HN 0.585 nan 8.240 nan 0.000 0.441 378 E N 0.648 120.697 120.200 -0.252 0.000 2.418 378 E HA 0.003 4.354 4.350 0.000 0.000 0.197 378 E C 2.297 178.671 176.600 -0.378 0.000 1.026 378 E CA 0.519 56.688 56.400 -0.385 0.000 0.862 378 E CB -0.009 29.358 29.700 -0.554 0.000 0.799 378 E HN 0.349 nan 8.360 nan 0.000 0.518 379 S N 0.404 115.973 115.700 -0.218 0.000 2.406 379 S HA 0.030 4.501 4.470 0.000 0.000 0.224 379 S C 1.846 176.317 174.600 -0.216 0.000 1.030 379 S CA 0.455 58.612 58.200 -0.072 0.000 0.958 379 S CB 0.160 63.415 63.200 0.092 0.000 0.811 379 S HN 0.265 nan 8.310 nan 0.000 0.489 380 I N 0.674 121.008 120.570 -0.392 0.000 2.852 380 I HA 0.061 4.231 4.170 0.000 0.000 0.264 380 I C 1.696 177.428 176.117 -0.641 0.000 1.179 380 I CA 0.694 61.652 61.300 -0.571 0.000 1.480 380 I CB -0.584 36.910 38.000 -0.844 0.000 1.111 380 I HN 0.125 nan 8.210 nan 0.000 0.441 381 V N 1.285 120.826 119.914 -0.622 0.000 2.788 381 V HA -0.061 4.060 4.120 0.000 0.000 0.251 381 V C 2.373 178.170 176.094 -0.495 0.000 1.068 381 V CA 0.998 62.959 62.300 -0.565 0.000 1.090 381 V CB 0.103 31.654 31.823 -0.453 0.000 0.710 381 V HN 0.261 nan 8.190 nan 0.000 0.467 382 I N -1.168 118.986 120.570 -0.695 0.000 2.296 382 I HA -0.064 4.107 4.170 0.000 0.000 0.242 382 I C 1.810 177.209 176.117 -1.196 0.000 1.087 382 I CA 1.742 62.392 61.300 -1.083 0.000 1.393 382 I CB -0.312 36.550 38.000 -1.897 0.000 1.093 382 I HN 0.448 nan 8.210 nan 0.000 0.421 383 W N 0.317 121.264 121.300 -0.589 0.000 2.324 383 W HA 0.384 5.044 4.660 0.000 0.000 0.316 383 W C 0.845 176.810 176.519 -0.923 0.000 0.927 383 W CA 0.250 57.085 57.345 -0.850 0.000 1.438 383 W CB -0.311 28.584 29.460 -0.942 0.000 1.085 383 W HN 0.280 nan 8.180 nan 0.000 0.532 384 G N 3.012 111.425 108.800 -0.645 0.000 2.370 384 G HA2 -0.278 3.683 3.960 0.000 0.000 0.295 384 G HA3 -0.278 3.683 3.960 0.000 0.000 0.295 384 G C -0.262 174.570 174.900 -0.114 0.000 1.045 384 G CA 0.580 45.415 45.100 -0.441 0.000 1.199 384 G HN 0.184 nan 8.290 nan 0.000 0.513 385 K N -0.664 119.697 120.400 -0.065 0.000 2.568 385 K HA 0.528 4.848 4.320 0.000 0.000 0.273 385 K C -0.461 176.207 176.600 0.113 0.000 0.951 385 K CA -0.787 55.563 56.287 0.105 0.000 0.854 385 K CB 1.629 34.241 32.500 0.188 0.000 1.424 385 K HN 0.146 nan 8.250 nan 0.000 0.427 386 T N 3.226 117.891 114.554 0.186 0.000 2.829 386 T HA 0.447 4.798 4.350 0.000 0.000 0.282 386 T C -2.522 172.284 174.700 0.177 0.000 0.990 386 T CA -1.426 60.813 62.100 0.232 0.000 1.028 386 T CB 1.357 70.416 68.868 0.320 0.000 0.951 386 T HN 0.301 nan 8.240 nan 0.000 0.460 387 P HA 0.364 nan 4.420 nan 0.000 0.296 387 P C -1.085 176.194 177.300 -0.034 0.000 1.310 387 P CA -1.105 61.960 63.100 -0.059 0.000 0.900 387 P CB 1.107 32.640 31.700 -0.278 0.000 1.111 388 K N 2.043 122.391 120.400 -0.087 0.000 2.316 388 K HA 0.336 4.656 4.320 0.000 0.000 0.289 388 K C -0.836 175.712 176.600 -0.086 0.000 1.070 388 K CA -0.347 55.953 56.287 0.021 0.000 0.928 388 K CB -0.178 32.308 32.500 -0.024 0.000 1.039 388 K HN 0.169 nan 8.250 nan 0.000 0.480 389 F N 3.014 123.002 119.950 0.063 0.000 2.439 389 F HA 0.131 4.658 4.527 0.000 0.000 0.356 389 F C 0.600 176.339 175.800 -0.102 0.000 1.161 389 F CA -0.389 57.602 58.000 -0.015 0.000 1.151 389 F CB 0.718 39.697 39.000 -0.035 0.000 1.222 389 F HN 0.345 nan 8.300 nan 0.000 0.558 390 K N 5.492 125.894 120.400 0.004 0.000 2.166 390 K HA 0.166 4.487 4.320 0.000 0.000 0.273 390 K C -0.415 176.182 176.600 -0.004 0.000 1.095 390 K CA 0.013 56.295 56.287 -0.008 0.000 0.985 390 K CB 0.148 32.666 32.500 0.030 0.000 1.172 390 K HN 0.553 nan 8.250 nan 0.000 0.401 391 L N 6.194 127.331 121.223 -0.143 0.000 2.325 391 L HA 0.143 4.483 4.340 0.000 0.000 0.284 391 L C -1.539 175.341 176.870 0.017 0.000 1.089 391 L CA -1.872 52.857 54.840 -0.185 0.000 0.836 391 L CB 0.330 41.998 42.059 -0.652 0.000 1.184 391 L HN 0.322 nan 8.230 nan 0.000 0.444 392 P HA 0.100 nan 4.420 nan 0.000 0.238 392 P C -0.404 176.986 177.300 0.150 0.000 1.729 392 P CA 0.653 63.841 63.100 0.146 0.000 1.055 392 P CB 0.289 32.108 31.700 0.199 0.000 1.980 393 I N -0.102 120.550 120.570 0.137 0.000 2.897 393 I HA 0.198 4.369 4.170 0.000 0.000 0.299 393 I C -1.339 174.800 176.117 0.036 0.000 1.527 393 I CA -1.067 60.301 61.300 0.114 0.000 0.979 393 I CB 2.443 40.510 38.000 0.111 0.000 1.360 393 I HN -0.199 nan 8.210 nan 0.000 0.495 394 Q N 3.843 123.613 119.800 -0.050 0.000 2.327 394 Q HA 0.222 4.562 4.340 0.000 0.000 0.254 394 Q C 0.750 176.432 176.000 -0.530 0.000 0.952 394 Q CA 0.028 55.681 55.803 -0.250 0.000 0.884 394 Q CB 1.270 29.940 28.738 -0.113 0.000 1.224 394 Q HN 0.432 nan 8.270 nan 0.000 0.422 395 K N 1.694 121.495 120.400 -0.999 0.000 2.059 395 K HA -0.325 3.995 4.320 0.000 0.000 0.212 395 K C 1.380 177.770 176.600 -0.349 0.000 1.050 395 K CA 1.989 57.643 56.287 -1.056 0.000 0.927 395 K CB 0.226 32.314 32.500 -0.687 0.000 0.714 395 K HN 0.612 nan 8.250 nan 0.000 0.447 396 E N -0.005 120.054 120.200 -0.235 0.000 2.072 396 E HA -0.115 4.235 4.350 0.000 0.000 0.190 396 E C 1.699 178.255 176.600 -0.072 0.000 0.982 396 E CA 2.101 58.422 56.400 -0.133 0.000 0.803 396 E CB -0.333 29.306 29.700 -0.102 0.000 0.755 396 E HN 0.478 nan 8.360 nan 0.000 0.453 397 T N -2.703 111.854 114.554 0.005 0.000 2.977 397 T HA -0.147 4.203 4.350 0.000 0.000 0.271 397 T C 1.614 176.489 174.700 0.292 0.000 1.105 397 T CA 1.095 63.291 62.100 0.159 0.000 1.116 397 T CB -0.385 68.601 68.868 0.198 0.000 0.878 397 T HN 0.330 nan 8.240 nan 0.000 0.509 398 W N 1.077 122.365 121.300 -0.019 0.000 2.798 398 W HA 0.395 5.056 4.660 0.000 0.000 0.260 398 W C 1.964 178.440 176.519 -0.071 0.000 1.165 398 W CA -0.184 57.180 57.345 0.032 0.000 1.501 398 W CB 0.418 29.896 29.460 0.029 0.000 1.023 398 W HN -0.028 nan 8.180 nan 0.000 0.615 399 E N 0.084 120.293 120.200 0.015 0.000 2.455 399 E HA -0.151 4.199 4.350 0.000 0.000 0.202 399 E C 1.818 178.224 176.600 -0.323 0.000 1.045 399 E CA 1.725 57.978 56.400 -0.245 0.000 0.872 399 E CB -0.307 29.256 29.700 -0.227 0.000 0.792 399 E HN 0.460 nan 8.360 nan 0.000 0.542 400 T N -3.342 110.962 114.554 -0.417 0.000 2.976 400 T HA -0.068 4.282 4.350 0.000 0.000 0.257 400 T C 1.196 175.404 174.700 -0.820 0.000 1.051 400 T CA 0.297 61.934 62.100 -0.772 0.000 1.141 400 T CB -0.334 67.827 68.868 -1.178 0.000 0.881 400 T HN 0.216 nan 8.240 nan 0.000 0.461 401 W N 1.023 122.241 121.300 -0.136 0.000 2.467 401 W HA 0.471 5.131 4.660 0.000 0.000 0.369 401 W C 1.199 177.490 176.519 -0.380 0.000 0.938 401 W CA -1.951 55.239 57.345 -0.258 0.000 1.845 401 W CB -0.437 28.927 29.460 -0.159 0.000 1.167 401 W HN 0.251 nan 8.180 nan 0.000 0.558 402 W N 2.027 122.976 121.300 -0.584 0.000 2.825 402 W HA -0.005 4.655 4.660 0.000 0.000 0.243 402 W C 0.807 177.010 176.519 -0.525 0.000 1.293 402 W CA 1.572 58.358 57.345 -0.932 0.000 1.403 402 W CB -1.428 26.905 29.460 -1.877 0.000 1.134 402 W HN 0.029 nan 8.180 nan 0.000 0.666 403 T N -1.881 111.998 114.554 -1.125 0.000 3.045 403 T HA -0.004 4.346 4.350 0.000 0.000 0.239 403 T C 1.412 175.889 174.700 -0.371 0.000 1.008 403 T CA 0.593 62.130 62.100 -0.939 0.000 1.143 403 T CB -0.640 67.744 68.868 -0.806 0.000 0.894 403 T HN -0.114 nan 8.240 nan 0.000 0.451 404 E N 1.115 121.085 120.200 -0.384 0.000 2.394 404 E HA -0.142 4.209 4.350 0.000 0.000 0.202 404 E C 0.090 176.377 176.600 -0.522 0.000 1.029 404 E CA 1.121 57.256 56.400 -0.443 0.000 0.855 404 E CB -0.263 29.063 29.700 -0.624 0.000 0.770 404 E HN 0.757 nan 8.360 nan 0.000 0.527 405 Y N -2.574 117.723 120.300 -0.005 0.000 2.779 405 Y HA 0.164 4.714 4.550 0.000 0.000 0.251 405 Y C 0.191 176.081 175.900 -0.016 0.000 1.145 405 Y CA -1.175 56.919 58.100 -0.010 0.000 1.201 405 Y CB -0.165 38.288 38.460 -0.011 0.000 1.281 405 Y HN 0.037 nan 8.280 nan 0.000 0.563 406 W N 3.063 124.283 121.300 -0.134 0.000 2.351 406 W HA 0.454 5.114 4.660 0.000 0.000 0.311 406 W C -0.704 175.725 176.519 -0.152 0.000 1.168 406 W CA -0.142 57.091 57.345 -0.188 0.000 1.200 406 W CB 1.174 30.423 29.460 -0.351 0.000 1.221 406 W HN 0.133 nan 8.180 nan 0.000 0.519 407 Q N 4.413 123.887 119.800 -0.543 0.000 2.805 407 Q HA 0.453 4.793 4.340 0.000 0.000 0.360 407 Q C -0.537 175.141 176.000 -0.536 0.000 0.832 407 Q CA -0.200 55.383 55.803 -0.366 0.000 1.020 407 Q CB 1.190 29.769 28.738 -0.265 0.000 1.444 407 Q HN 0.379 nan 8.270 nan 0.000 0.391 408 A N -0.190 122.226 122.820 -0.673 0.000 2.594 408 A HA 0.637 4.958 4.320 0.000 0.000 0.291 408 A C 0.299 177.742 177.584 -0.234 0.000 1.105 408 A CA -0.612 50.919 52.037 -0.843 0.000 0.694 408 A CB 1.202 18.948 19.000 -2.090 0.000 1.291 408 A HN 0.211 nan 8.150 nan 0.000 0.410 409 T N -2.570 111.929 114.554 -0.091 0.000 3.223 409 T HA 0.443 4.793 4.350 0.000 0.000 0.259 409 T C -0.399 174.573 174.700 0.453 0.000 1.015 409 T CA 0.133 62.382 62.100 0.249 0.000 0.908 409 T CB -1.136 67.916 68.868 0.308 0.000 1.054 409 T HN 1.181 nan 8.240 nan 0.000 0.567 410 W N 0.219 121.787 121.300 0.447 0.000 3.138 410 W HA 0.769 5.429 4.660 0.000 0.000 0.331 410 W C -1.750 175.135 176.519 0.610 0.000 1.166 410 W CA -1.784 55.821 57.345 0.434 0.000 1.212 410 W CB 1.028 30.734 29.460 0.410 0.000 1.399 410 W HN -0.139 nan 8.180 nan 0.000 0.514 411 I N 5.029 125.918 120.570 0.531 0.000 2.410 411 I HA 0.309 4.479 4.170 0.000 0.000 0.286 411 I C -1.784 174.599 176.117 0.444 0.000 1.009 411 I CA -1.870 59.688 61.300 0.430 0.000 1.111 411 I CB 1.554 39.742 38.000 0.313 0.000 1.262 411 I HN 0.287 nan 8.210 nan 0.000 0.443 412 P HA 0.294 nan 4.420 nan 0.000 0.279 412 P C -0.497 176.936 177.300 0.223 0.000 1.276 412 P CA -0.404 62.985 63.100 0.481 0.000 0.801 412 P CB 1.611 33.711 31.700 0.667 0.000 1.127 413 E N -0.208 120.088 120.200 0.160 0.000 2.283 413 E HA 0.435 4.785 4.350 0.000 0.000 0.271 413 E C -0.705 175.941 176.600 0.076 0.000 1.031 413 E CA -0.003 56.325 56.400 -0.119 0.000 0.868 413 E CB 0.891 30.565 29.700 -0.044 0.000 1.094 413 E HN 0.512 nan 8.360 nan 0.000 0.401 414 W N 0.929 122.211 121.300 -0.029 0.000 2.923 414 W HA 0.489 5.149 4.660 0.000 0.000 0.373 414 W C -0.970 175.378 176.519 -0.285 0.000 1.205 414 W CA -0.800 56.463 57.345 -0.135 0.000 1.180 414 W CB 0.033 29.353 29.460 -0.234 0.000 1.477 414 W HN 0.522 nan 8.180 nan 0.000 0.581 415 E N -0.168 120.037 120.200 0.008 0.000 2.421 415 E HA 0.745 5.095 4.350 0.000 0.000 0.265 415 E C -1.917 174.407 176.600 -0.460 0.000 0.990 415 E CA -1.101 55.206 56.400 -0.155 0.000 0.874 415 E CB 2.408 32.094 29.700 -0.022 0.000 1.646 415 E HN 0.288 nan 8.360 nan 0.000 0.451 416 F N 0.544 120.530 119.950 0.060 0.000 2.507 416 F HA 0.493 5.020 4.527 0.000 0.000 0.328 416 F C -0.439 175.374 175.800 0.021 0.000 1.136 416 F CA -0.916 57.086 58.000 0.003 0.000 0.930 416 F CB 2.182 41.174 39.000 -0.013 0.000 1.166 416 F HN 0.276 nan 8.300 nan 0.000 0.436 417 V N 4.037 124.072 119.914 0.200 0.000 2.630 417 V HA 0.478 4.598 4.120 0.000 0.000 0.305 417 V C -0.217 175.963 176.094 0.144 0.000 1.046 417 V CA -0.336 62.052 62.300 0.147 0.000 0.934 417 V CB 1.859 33.753 31.823 0.118 0.000 1.003 417 V HN 0.861 nan 8.190 nan 0.000 0.451 418 N N 1.430 120.200 118.700 0.117 0.000 2.113 418 N HA 0.052 4.792 4.740 0.000 0.000 0.223 418 N C 0.229 175.794 175.510 0.092 0.000 1.310 418 N CA 0.366 53.473 53.050 0.095 0.000 0.896 418 N CB 0.708 39.238 38.487 0.073 0.000 1.097 418 N HN 0.802 nan 8.380 nan 0.000 0.507 419 T N 1.588 116.205 114.554 0.106 0.000 2.853 419 T HA 0.296 4.646 4.350 0.000 0.000 0.298 419 T C -2.119 172.655 174.700 0.123 0.000 0.978 419 T CA -0.882 61.288 62.100 0.117 0.000 1.152 419 T CB 1.026 69.976 68.868 0.136 0.000 0.914 419 T HN -0.013 nan 8.240 nan 0.000 0.539 420 P HA 0.443 nan 4.420 nan 0.000 0.281 420 P C -2.366 174.983 177.300 0.082 0.000 1.264 420 P CA -1.765 61.376 63.100 0.069 0.000 0.824 420 P CB -0.177 31.546 31.700 0.039 0.000 1.092 421 P HA 0.115 nan 4.420 nan 0.000 0.271 421 P C 0.344 177.578 177.300 -0.110 0.000 1.238 421 P CA -0.038 62.897 63.100 -0.276 0.000 0.794 421 P CB 1.005 32.372 31.700 -0.555 0.000 0.959 422 L N 0.228 121.377 121.223 -0.122 0.000 2.924 422 L HA 0.117 4.457 4.340 0.000 0.000 0.172 422 L C 1.006 177.885 176.870 0.015 0.000 1.292 422 L CA 0.051 54.982 54.840 0.151 0.000 0.870 422 L CB -0.871 41.561 42.059 0.622 0.000 1.305 422 L HN 0.086 nan 8.230 nan 0.000 0.535 423 V N -0.147 119.786 119.914 0.032 0.000 2.071 423 V HA 0.218 4.338 4.120 0.000 0.000 0.254 423 V C 0.491 176.497 176.094 -0.148 0.000 1.456 423 V CA -0.644 61.672 62.300 0.027 0.000 1.383 423 V CB -0.555 31.398 31.823 0.216 0.000 1.433 423 V HN 0.550 nan 8.190 nan 0.000 0.499 424 K N 3.123 123.418 120.400 -0.175 0.000 3.451 424 K HA -0.178 4.142 4.320 0.000 0.000 0.273 424 K C -0.142 176.284 176.600 -0.291 0.000 0.944 424 K CA 0.140 56.319 56.287 -0.179 0.000 0.734 424 K CB -0.693 31.758 32.500 -0.082 0.000 1.437 424 K HN 0.672 nan 8.250 nan 0.000 0.454 425 L N -0.224 120.665 121.223 -0.557 0.000 3.052 425 L HA -0.248 4.092 4.340 0.000 0.000 0.540 425 L C 0.817 177.363 176.870 -0.540 0.000 1.001 425 L CA 1.709 56.111 54.840 -0.731 0.000 1.287 425 L CB -0.815 41.034 42.059 -0.350 0.000 1.312 425 L HN 0.587 nan 8.230 nan 0.000 0.637 426 W N 4.017 125.178 121.300 -0.231 0.000 3.430 426 W HA 0.169 4.829 4.660 0.000 0.000 0.383 426 W C 0.583 176.779 176.519 -0.539 0.000 1.129 426 W CA -0.372 56.743 57.345 -0.382 0.000 1.805 426 W CB -0.639 28.464 29.460 -0.594 0.000 0.966 426 W HN 0.617 nan 8.180 nan 0.000 0.797 427 Y N -0.347 120.019 120.300 0.110 0.000 3.312 427 Y HA 0.060 4.611 4.550 0.001 0.000 0.180 427 Y C 1.730 177.654 175.900 0.040 0.000 0.891 427 Y CA -0.376 57.784 58.100 0.100 0.000 1.762 427 Y CB -0.612 37.910 38.460 0.105 0.000 1.441 427 Y HN -0.201 nan 8.280 nan 0.000 0.362 428 Q N 0.000 119.909 119.800 0.182 0.000 2.315 428 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 428 Q CA 0.000 55.854 55.803 0.085 0.000 1.022 428 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481