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 2yxr_1_A DATA FIRST_RESID 2 DATA SEQUENCE KKLIPILEKI PEVELPVKEI TFKEKLKWTG IVLVLYFIMG CIDVYTAGAQ DATA SEQUENCE IPAIFXXXXX XXXXXGGTLI TLGIGPIVTA GIIMQLLVGS GIIQMDLSIP DATA SEQUENCE ENRALFQGCQ KLLSIIMCFV EAVLFVGAGA FGILTPLLAF LVIIQIAFGS DATA SEQUENCE IILIYLDEIV SKYGIGSGIG LFIAAGVSQT IFVGALGPEG YLWKFLNSLI DATA SEQUENCE QGVPNIEYIA PIIGTIIVFL MVVYAECMRV EIPLAHGRIK GAVGKYPIKF DATA SEQUENCE VYVSNIPVIL AAALFANIQL WGLALYRMGI PILGHYEGGR AVDGIAYYLS DATA SEQUENCE TPYGLSSVIS DPIHAIVYMI AMIITCVMFG IFWVETTGLD PKSMAKRIGS DATA SEQUENCE LGMAIKGFRK SEKAIEHRLK RYIPPLTVMS SAFVGFLATI ANFIGALGGG DATA SEQUENCE TGVLLTVSIV YRMYEQLLRE KVSELHPAIA KL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.608 176.600 0.014 0.000 0.988 2 K CA 0.000 56.294 56.287 0.011 0.000 0.838 2 K CB 0.000 32.506 32.500 0.010 0.000 1.064 3 K N 1.074 121.482 120.400 0.015 0.000 2.571 3 K HA 0.362 4.687 4.320 0.008 0.000 0.289 3 K C -0.202 176.407 176.600 0.016 0.000 1.028 3 K CA -0.778 55.520 56.287 0.017 0.000 0.895 3 K CB 1.147 33.659 32.500 0.020 0.000 1.534 3 K HN 0.570 nan 8.250 nan 0.000 0.421 4 L N 2.582 123.815 121.223 0.017 0.000 3.062 4 L HA 0.123 4.469 4.340 0.008 0.000 0.264 4 L C 1.589 178.467 176.870 0.014 0.000 1.242 4 L CA 0.178 55.027 54.840 0.015 0.000 1.072 4 L CB -1.075 40.994 42.059 0.016 0.000 1.420 4 L HN 0.445 nan 8.230 nan 0.000 0.412 5 I N 0.735 121.313 120.570 0.014 0.000 2.335 5 I HA -0.170 4.005 4.170 0.008 0.000 0.251 5 I C 0.084 176.208 176.117 0.013 0.000 1.129 5 I CA 0.993 62.300 61.300 0.013 0.000 1.402 5 I CB -1.538 36.469 38.000 0.012 0.000 1.069 5 I HN 0.370 nan 8.210 nan 0.000 0.424 6 P HA -0.183 nan 4.420 nan 0.000 0.210 6 P C 1.848 179.156 177.300 0.013 0.000 1.189 6 P CA 1.729 64.836 63.100 0.012 0.000 0.920 6 P CB -0.150 31.557 31.700 0.011 0.000 0.782 7 I N -0.337 120.241 120.570 0.013 0.000 2.264 7 I HA -0.183 3.992 4.170 0.008 0.000 0.248 7 I C 2.754 178.881 176.117 0.017 0.000 1.111 7 I CA 1.019 62.328 61.300 0.014 0.000 1.382 7 I CB -1.760 36.247 38.000 0.012 0.000 1.060 7 I HN -0.029 nan 8.210 nan 0.000 0.418 8 L N 0.851 122.083 121.223 0.015 0.000 2.127 8 L HA -0.214 4.131 4.340 0.008 0.000 0.211 8 L C 2.335 179.215 176.870 0.017 0.000 1.089 8 L CA 1.622 56.471 54.840 0.015 0.000 0.757 8 L CB -0.175 41.891 42.059 0.012 0.000 0.899 8 L HN 0.235 nan 8.230 nan 0.000 0.434 9 E N -0.726 119.484 120.200 0.016 0.000 2.371 9 E HA -0.189 4.166 4.350 0.008 0.000 0.194 9 E C 1.778 178.392 176.600 0.022 0.000 1.012 9 E CA 0.293 56.703 56.400 0.017 0.000 0.860 9 E CB 0.253 29.962 29.700 0.015 0.000 0.811 9 E HN 0.229 nan 8.360 nan 0.000 0.502 10 K N 0.810 121.224 120.400 0.023 0.000 2.296 10 K HA 0.060 4.385 4.320 0.008 0.000 0.200 10 K C 0.337 176.959 176.600 0.037 0.000 1.048 10 K CA 0.216 56.518 56.287 0.026 0.000 0.966 10 K CB 0.196 32.709 32.500 0.021 0.000 0.754 10 K HN -0.013 nan 8.250 nan 0.000 0.466 11 I N 3.309 123.904 120.570 0.041 0.000 2.517 11 I HA 0.052 4.227 4.170 0.008 0.000 0.285 11 I C -1.858 174.310 176.117 0.084 0.000 1.106 11 I CA -1.831 59.509 61.300 0.066 0.000 1.402 11 I CB 0.518 38.553 38.000 0.059 0.000 1.399 11 I HN 0.066 nan 8.210 nan 0.000 0.535 12 P HA 0.094 nan 4.420 nan 0.000 0.270 12 P C -0.491 176.885 177.300 0.128 0.000 1.227 12 P CA 0.028 63.227 63.100 0.165 0.000 0.788 12 P CB 0.716 32.562 31.700 0.244 0.000 0.926 13 E N -0.060 120.184 120.200 0.073 0.000 2.415 13 E HA 0.571 4.926 4.350 0.008 0.000 0.255 13 E C -1.732 174.856 176.600 -0.020 0.000 0.936 13 E CA -0.720 55.657 56.400 -0.039 0.000 0.876 13 E CB 1.140 30.823 29.700 -0.029 0.000 1.696 13 E HN 0.029 nan 8.360 nan 0.000 0.435 14 V N 1.914 121.796 119.914 -0.053 0.000 2.487 14 V HA 0.325 4.450 4.120 0.008 0.000 0.298 14 V C -0.348 175.768 176.094 0.037 0.000 1.028 14 V CA -0.929 61.355 62.300 -0.026 0.000 0.860 14 V CB 1.477 33.249 31.823 -0.085 0.000 0.991 14 V HN 0.627 nan 8.190 nan 0.000 0.427 15 E N 5.786 126.028 120.200 0.070 0.000 2.292 15 E HA 0.073 4.428 4.350 0.008 0.000 0.265 15 E C -0.614 176.088 176.600 0.170 0.000 1.093 15 E CA -0.299 56.162 56.400 0.101 0.000 0.922 15 E CB 0.649 30.409 29.700 0.101 0.000 1.001 15 E HN 0.712 nan 8.360 nan 0.000 0.444 16 L N 3.981 125.250 121.223 0.076 0.000 2.270 16 L HA 0.537 4.882 4.340 0.008 0.000 0.286 16 L C -2.293 174.545 176.870 -0.052 0.000 1.059 16 L CA -2.136 52.699 54.840 -0.009 0.000 0.839 16 L CB 0.457 42.495 42.059 -0.035 0.000 1.221 16 L HN 0.176 nan 8.230 nan 0.000 0.431 17 P HA 0.134 nan 4.420 nan 0.000 0.276 17 P C 0.665 177.913 177.300 -0.087 0.000 1.230 17 P CA -0.484 62.575 63.100 -0.067 0.000 0.776 17 P CB 1.712 33.377 31.700 -0.058 0.000 0.888 18 V N 1.577 121.464 119.914 -0.045 0.000 3.623 18 V HA -0.028 4.097 4.120 0.008 0.000 0.271 18 V C 1.309 177.384 176.094 -0.032 0.000 1.248 18 V CA 0.718 62.994 62.300 -0.040 0.000 1.156 18 V CB -0.938 30.872 31.823 -0.021 0.000 0.870 18 V HN 0.503 nan 8.190 nan 0.000 0.453 19 K N 1.395 121.777 120.400 -0.031 0.000 2.343 19 K HA 0.084 4.409 4.320 0.008 0.000 0.250 19 K C 0.573 177.161 176.600 -0.019 0.000 1.087 19 K CA -0.063 56.216 56.287 -0.014 0.000 0.853 19 K CB 0.209 32.709 32.500 0.001 0.000 1.133 19 K HN 0.399 nan 8.250 nan 0.000 0.509 20 E N 1.624 121.823 120.200 -0.001 0.000 2.105 20 E HA 0.126 4.481 4.350 0.008 0.000 0.285 20 E C -0.838 175.771 176.600 0.015 0.000 1.055 20 E CA -0.494 55.910 56.400 0.007 0.000 0.843 20 E CB 0.064 29.774 29.700 0.017 0.000 1.067 20 E HN 0.265 nan 8.360 nan 0.000 0.398 21 I N 2.663 123.236 120.570 0.005 0.000 2.377 21 I HA 0.181 4.356 4.170 0.008 0.000 0.282 21 I C 0.284 176.435 176.117 0.057 0.000 1.091 21 I CA -0.952 60.363 61.300 0.025 0.000 1.207 21 I CB 0.289 38.262 38.000 -0.044 0.000 1.429 21 I HN 0.230 nan 8.210 nan 0.000 0.491 22 T N -0.017 114.582 114.554 0.076 0.000 2.906 22 T HA 0.075 4.430 4.350 0.008 0.000 0.320 22 T C 0.974 175.760 174.700 0.143 0.000 1.088 22 T CA -0.159 62.005 62.100 0.106 0.000 1.120 22 T CB 0.639 69.564 68.868 0.095 0.000 1.000 22 T HN 0.464 nan 8.240 nan 0.000 0.550 23 F N 2.342 122.305 119.950 0.021 0.000 2.063 23 F HA -0.174 4.358 4.527 0.008 0.000 0.298 23 F C 2.390 178.212 175.800 0.036 0.000 1.109 23 F CA 1.903 59.917 58.000 0.023 0.000 1.212 23 F CB -0.392 38.613 39.000 0.009 0.000 0.973 23 F HN 0.645 nan 8.300 nan 0.000 0.480 24 K N -0.110 120.413 120.400 0.205 0.000 2.113 24 K HA -0.229 4.096 4.320 0.008 0.000 0.208 24 K C 2.013 178.611 176.600 -0.003 0.000 1.047 24 K CA 2.038 58.376 56.287 0.085 0.000 0.928 24 K CB -0.364 32.203 32.500 0.111 0.000 0.716 24 K HN 0.496 nan 8.250 nan 0.000 0.446 25 E N 0.815 121.035 120.200 0.033 0.000 2.028 25 E HA -0.114 4.241 4.350 0.008 0.000 0.190 25 E C 1.984 178.662 176.600 0.131 0.000 0.984 25 E CA 0.834 57.263 56.400 0.049 0.000 0.800 25 E CB 0.073 29.838 29.700 0.109 0.000 0.758 25 E HN 0.210 nan 8.360 nan 0.000 0.448 26 K N 0.856 121.322 120.400 0.111 0.000 2.089 26 K HA -0.200 4.125 4.320 0.008 0.000 0.210 26 K C 2.280 178.895 176.600 0.025 0.000 1.048 26 K CA 1.013 57.361 56.287 0.103 0.000 0.926 26 K CB -0.274 32.203 32.500 -0.037 0.000 0.714 26 K HN 0.098 nan 8.250 nan 0.000 0.448 27 L N 1.449 122.571 121.223 -0.169 0.000 1.943 27 L HA -0.266 4.079 4.340 0.008 0.000 0.215 27 L C 2.217 179.056 176.870 -0.052 0.000 1.074 27 L CA 1.691 56.408 54.840 -0.205 0.000 0.759 27 L CB -0.205 41.648 42.059 -0.342 0.000 0.888 27 L HN 0.099 nan 8.230 nan 0.000 0.433 28 K N -1.243 119.129 120.400 -0.048 0.000 2.160 28 K HA -0.263 4.062 4.320 0.008 0.000 0.206 28 K C 1.759 178.351 176.600 -0.012 0.000 1.047 28 K CA 2.074 58.328 56.287 -0.055 0.000 0.930 28 K CB -0.338 32.095 32.500 -0.113 0.000 0.720 28 K HN 0.417 nan 8.250 nan 0.000 0.450 29 W N 1.143 122.430 121.300 -0.022 0.000 2.353 29 W HA -0.206 4.459 4.660 0.009 0.000 0.319 29 W C 2.504 179.010 176.519 -0.022 0.000 1.207 29 W CA 1.254 58.602 57.345 0.004 0.000 1.291 29 W CB -0.451 29.041 29.460 0.055 0.000 1.159 29 W HN 0.016 nan 8.180 nan 0.000 0.478 30 T N -0.210 114.493 114.554 0.248 0.000 2.597 30 T HA -0.278 4.077 4.350 0.008 0.000 0.267 30 T C 1.783 176.521 174.700 0.064 0.000 1.053 30 T CA 2.037 64.190 62.100 0.088 0.000 1.165 30 T CB -1.287 67.576 68.868 -0.009 0.000 0.863 30 T HN 0.393 nan 8.240 nan 0.000 0.427 31 G N 1.160 109.984 108.800 0.041 0.000 2.513 31 G HA2 -0.265 3.701 3.960 0.008 0.000 0.219 31 G HA3 -0.265 3.701 3.960 0.008 0.000 0.219 31 G C 1.549 176.475 174.900 0.044 0.000 1.160 31 G CA 1.125 46.239 45.100 0.024 0.000 0.767 31 G HN 0.457 nan 8.290 nan 0.000 0.571 32 I N 0.933 121.547 120.570 0.072 0.000 2.208 32 I HA -0.172 4.003 4.170 0.008 0.000 0.245 32 I C 2.874 179.058 176.117 0.112 0.000 1.097 32 I CA 1.016 62.365 61.300 0.083 0.000 1.363 32 I CB -0.314 37.738 38.000 0.086 0.000 1.051 32 I HN 0.099 nan 8.210 nan 0.000 0.413 33 V N 0.311 120.312 119.914 0.144 0.000 2.237 33 V HA -0.292 3.833 4.120 0.008 0.000 0.245 33 V C 2.471 178.625 176.094 0.099 0.000 1.046 33 V CA 1.936 64.324 62.300 0.145 0.000 1.007 33 V CB -1.345 30.556 31.823 0.130 0.000 0.638 33 V HN 0.514 nan 8.190 nan 0.000 0.445 34 L N 0.417 121.640 121.223 -0.001 0.000 2.030 34 L HA -0.242 4.103 4.340 0.008 0.000 0.222 34 L C 2.355 179.076 176.870 -0.248 0.000 1.082 34 L CA 2.371 57.095 54.840 -0.194 0.000 0.785 34 L CB -0.661 41.272 42.059 -0.210 0.000 0.895 34 L HN 0.160 nan 8.230 nan 0.000 0.439 35 V N -0.439 119.446 119.914 -0.048 0.000 2.237 35 V HA -0.327 3.798 4.120 0.008 0.000 0.245 35 V C 2.576 178.725 176.094 0.091 0.000 1.046 35 V CA 2.128 64.469 62.300 0.068 0.000 1.007 35 V CB -0.721 31.163 31.823 0.101 0.000 0.638 35 V HN 0.507 nan 8.190 nan 0.000 0.445 36 L N -1.166 120.105 121.223 0.080 0.000 2.089 36 L HA -0.283 4.062 4.340 0.008 0.000 0.213 36 L C 2.461 179.365 176.870 0.057 0.000 1.079 36 L CA 2.235 57.119 54.840 0.073 0.000 0.758 36 L CB -0.737 41.369 42.059 0.079 0.000 0.891 36 L HN 0.461 nan 8.230 nan 0.000 0.433 37 Y N 0.357 120.600 120.300 -0.095 0.000 2.060 37 Y HA -0.300 4.255 4.550 0.009 0.000 0.276 37 Y C 2.426 178.312 175.900 -0.023 0.000 1.127 37 Y CA 1.631 59.624 58.100 -0.179 0.000 1.104 37 Y CB -0.753 37.516 38.460 -0.318 0.000 0.983 37 Y HN -0.059 nan 8.280 nan 0.000 0.483 38 F N -0.236 119.785 119.950 0.119 0.000 2.115 38 F HA -0.369 4.163 4.527 0.008 0.000 0.300 38 F C 2.284 178.044 175.800 -0.066 0.000 1.092 38 F CA 0.783 58.792 58.000 0.016 0.000 1.245 38 F CB -0.375 38.690 39.000 0.109 0.000 0.995 38 F HN 0.173 nan 8.300 nan 0.000 0.481 39 I N 0.127 120.795 120.570 0.163 0.000 2.127 39 I HA -0.335 3.840 4.170 0.008 0.000 0.241 39 I C 2.351 178.465 176.117 -0.005 0.000 1.075 39 I CA 1.772 63.115 61.300 0.072 0.000 1.334 39 I CB -1.177 36.861 38.000 0.063 0.000 1.040 39 I HN 0.253 nan 8.210 nan 0.000 0.405 40 M N 0.217 119.777 119.600 -0.067 0.000 2.346 40 M HA -0.142 4.344 4.480 0.008 0.000 0.263 40 M C 2.047 178.257 176.300 -0.151 0.000 1.064 40 M CA 1.669 56.896 55.300 -0.122 0.000 1.083 40 M CB -0.710 31.774 32.600 -0.193 0.000 1.399 40 M HN 0.327 nan 8.290 nan 0.000 0.435 41 G N -1.421 107.273 108.800 -0.177 0.000 2.623 41 G HA2 -0.101 3.864 3.960 0.008 0.000 0.214 41 G HA3 -0.101 3.864 3.960 0.008 0.000 0.214 41 G C 1.273 176.141 174.900 -0.054 0.000 1.138 41 G CA 0.308 45.320 45.100 -0.147 0.000 0.794 41 G HN 0.474 nan 8.290 nan 0.000 0.535 42 C N 0.533 119.818 119.300 -0.025 0.000 2.674 42 C HA 0.402 4.867 4.460 0.008 0.000 0.276 42 C C 0.652 175.644 174.990 0.004 0.000 1.300 42 C CA -0.872 58.145 59.018 -0.002 0.000 1.732 42 C CB -0.330 27.418 27.740 0.013 0.000 2.076 42 C HN 0.195 nan 8.230 nan 0.000 0.548 43 I N 2.894 123.463 120.570 -0.002 0.000 2.337 43 I HA 0.211 4.386 4.170 0.008 0.000 0.291 43 I C -0.346 175.782 176.117 0.019 0.000 1.046 43 I CA -0.095 61.211 61.300 0.009 0.000 1.324 43 I CB -0.246 37.757 38.000 0.005 0.000 1.409 43 I HN 0.210 nan 8.210 nan 0.000 0.494 44 D N 4.474 124.896 120.400 0.037 0.000 2.362 44 D HA 0.228 4.874 4.640 0.008 0.000 0.242 44 D C 0.206 176.547 176.300 0.070 0.000 1.132 44 D CA -0.050 53.985 54.000 0.057 0.000 0.907 44 D CB 1.160 41.998 40.800 0.064 0.000 1.195 44 D HN 0.389 nan 8.370 nan 0.000 0.429 45 V N 0.639 120.604 119.914 0.085 0.000 2.811 45 V HA 0.096 4.221 4.120 0.008 0.000 0.302 45 V C -0.152 175.995 176.094 0.089 0.000 1.063 45 V CA -0.738 61.608 62.300 0.076 0.000 1.088 45 V CB 0.341 32.203 31.823 0.066 0.000 0.982 45 V HN 0.425 nan 8.190 nan 0.000 0.485 46 Y N 4.908 125.191 120.300 -0.027 0.000 2.730 46 Y HA 0.482 5.037 4.550 0.008 0.000 0.354 46 Y C 0.538 176.417 175.900 -0.035 0.000 1.139 46 Y CA 0.396 58.480 58.100 -0.028 0.000 1.516 46 Y CB -0.523 37.913 38.460 -0.040 0.000 1.204 46 Y HN 1.091 nan 8.280 nan 0.000 0.520 47 T N 2.864 117.134 114.554 -0.474 0.000 3.395 47 T HA 0.600 4.955 4.350 0.008 0.000 0.330 47 T C -0.603 173.918 174.700 -0.298 0.000 1.076 47 T CA -0.541 61.272 62.100 -0.477 0.000 1.070 47 T CB 0.677 69.414 68.868 -0.218 0.000 1.119 47 T HN 0.848 nan 8.240 nan 0.000 0.462 48 A N 2.179 124.818 122.820 -0.302 0.000 2.993 48 A HA 0.640 4.965 4.320 0.008 0.000 0.281 48 A C 1.084 178.632 177.584 -0.061 0.000 1.847 48 A CA 0.251 52.214 52.037 -0.123 0.000 1.470 48 A CB -1.357 17.590 19.000 -0.087 0.000 1.028 48 A HN 2.057 nan 8.150 nan 0.000 0.604 49 G N -0.139 108.642 108.800 -0.032 0.000 2.088 49 G HA2 0.514 4.479 3.960 0.008 0.000 0.222 49 G HA3 0.514 4.479 3.960 0.008 0.000 0.222 49 G C -0.318 174.594 174.900 0.019 0.000 1.690 49 G CA -0.158 44.941 45.100 -0.003 0.000 0.923 49 G HN 1.462 nan 8.290 nan 0.000 0.730 50 A N 1.928 124.762 122.820 0.023 0.000 3.202 50 A HA 0.506 4.831 4.320 0.008 0.000 0.258 50 A C 1.456 179.058 177.584 0.030 0.000 1.572 50 A CA 0.445 52.501 52.037 0.032 0.000 1.241 50 A CB -0.099 18.918 19.000 0.027 0.000 1.127 50 A HN 0.759 nan 8.150 nan 0.000 0.648 51 Q N 0.608 120.430 119.800 0.037 0.000 1.890 51 Q HA 0.087 4.432 4.340 0.008 0.000 0.208 51 Q C 0.527 176.539 176.000 0.020 0.000 0.982 51 Q CA 1.104 56.925 55.803 0.031 0.000 0.856 51 Q CB -0.900 27.864 28.738 0.042 0.000 0.915 51 Q HN 0.770 nan 8.270 nan 0.000 0.427 52 I N -0.862 119.718 120.570 0.016 0.000 2.392 52 I HA 0.507 4.682 4.170 0.008 0.000 0.295 52 I C -2.322 173.777 176.117 -0.030 0.000 0.985 52 I CA -2.344 58.941 61.300 -0.024 0.000 1.221 52 I CB 1.074 39.030 38.000 -0.073 0.000 1.366 52 I HN 0.124 nan 8.210 nan 0.000 0.467 53 P HA 0.478 nan 4.420 nan 0.000 0.186 53 P C -0.458 176.851 177.300 0.014 0.000 1.878 53 P CA -0.334 62.766 63.100 0.001 0.000 1.225 53 P CB 1.280 32.992 31.700 0.019 0.000 1.717 54 A N 1.804 124.619 122.820 -0.009 0.000 2.543 54 A HA 0.161 4.486 4.320 0.008 0.000 0.258 54 A C 1.607 179.256 177.584 0.108 0.000 1.391 54 A CA -0.253 51.810 52.037 0.044 0.000 1.066 54 A CB -1.036 17.957 19.000 -0.013 0.000 0.972 54 A HN 0.401 nan 8.150 nan 0.000 0.560 55 I N -0.968 119.665 120.570 0.106 0.000 2.145 55 I HA -0.263 3.912 4.170 0.008 0.000 0.244 55 I C 1.664 177.876 176.117 0.157 0.000 1.075 55 I CA 1.012 62.377 61.300 0.110 0.000 1.332 55 I CB -0.322 37.736 38.000 0.097 0.000 1.033 55 I HN 0.603 nan 8.210 nan 0.000 0.410 68 G N 0.518 109.421 108.800 0.172 0.000 2.556 68 G HA2 -0.080 3.885 3.960 0.008 0.000 0.220 68 G HA3 -0.080 3.885 3.960 0.008 0.000 0.220 68 G C 1.061 176.010 174.900 0.081 0.000 1.156 68 G CA 2.072 47.264 45.100 0.154 0.000 0.766 68 G HN 0.800 nan 8.290 nan 0.000 0.583 69 T N 1.111 115.696 114.554 0.053 0.000 4.058 69 T HA 0.559 4.914 4.350 0.008 0.000 0.252 69 T C 0.389 175.062 174.700 -0.044 0.000 1.264 69 T CA 0.052 62.164 62.100 0.022 0.000 1.094 69 T CB -0.153 68.732 68.868 0.029 0.000 1.316 69 T HN 0.182 nan 8.240 nan 0.000 0.872 70 L N 1.344 122.549 121.223 -0.031 0.000 4.241 70 L HA 0.300 4.645 4.340 0.008 0.000 0.426 70 L C 0.487 177.370 176.870 0.020 0.000 1.173 70 L CA -0.020 54.782 54.840 -0.064 0.000 1.461 70 L CB 0.212 42.156 42.059 -0.191 0.000 1.481 70 L HN 0.399 nan 8.230 nan 0.000 0.591 71 I N -2.342 118.256 120.570 0.046 0.000 2.582 71 I HA -0.311 3.864 4.170 0.008 0.000 0.299 71 I C 1.356 177.525 176.117 0.088 0.000 0.656 71 I CA 0.666 62.006 61.300 0.068 0.000 0.554 71 I CB -0.962 37.077 38.000 0.065 0.000 4.108 71 I HN 0.215 nan 8.210 nan 0.000 1.076 72 T N 1.517 116.134 114.554 0.105 0.000 2.536 72 T HA -0.150 4.205 4.350 0.008 0.000 0.236 72 T C 1.455 176.232 174.700 0.128 0.000 1.227 72 T CA 1.605 63.800 62.100 0.158 0.000 1.505 72 T CB -0.267 68.730 68.868 0.216 0.000 0.969 72 T HN 0.287 nan 8.240 nan 0.000 0.390 73 L N 1.513 122.803 121.223 0.111 0.000 2.187 73 L HA 0.086 4.431 4.340 0.008 0.000 0.213 73 L C 2.333 179.131 176.870 -0.119 0.000 1.100 73 L CA 1.702 56.449 54.840 -0.155 0.000 0.765 73 L CB -1.051 40.849 42.059 -0.266 0.000 0.904 73 L HN 0.494 nan 8.230 nan 0.000 0.437 74 G N -0.793 107.994 108.800 -0.021 0.000 2.807 74 G HA2 -0.227 3.738 3.960 0.008 0.000 0.207 74 G HA3 -0.227 3.738 3.960 0.008 0.000 0.207 74 G C 1.586 176.500 174.900 0.024 0.000 1.151 74 G CA 0.456 45.556 45.100 -0.000 0.000 0.800 74 G HN 0.536 nan 8.290 nan 0.000 0.523 75 I N 0.647 121.222 120.570 0.009 0.000 2.310 75 I HA -0.288 3.887 4.170 0.008 0.000 0.256 75 I C 1.699 177.841 176.117 0.042 0.000 1.060 75 I CA 1.518 62.837 61.300 0.032 0.000 1.362 75 I CB -0.067 37.950 38.000 0.027 0.000 1.044 75 I HN 0.400 nan 8.210 nan 0.000 0.443 76 G N 1.033 109.853 108.800 0.033 0.000 2.438 76 G HA2 -0.176 3.789 3.960 0.008 0.000 0.272 76 G HA3 -0.176 3.789 3.960 0.008 0.000 0.272 76 G C -1.047 173.881 174.900 0.046 0.000 0.991 76 G CA -0.029 45.104 45.100 0.055 0.000 1.348 76 G HN 0.382 nan 8.290 nan 0.000 0.483 77 P HA -0.266 nan 4.420 nan 0.000 0.220 77 P C 2.145 179.480 177.300 0.058 0.000 1.144 77 P CA 1.521 64.653 63.100 0.053 0.000 0.808 77 P CB 0.015 31.744 31.700 0.048 0.000 0.763 78 I N -1.136 119.465 120.570 0.053 0.000 2.091 78 I HA -0.244 3.931 4.170 0.008 0.000 0.239 78 I C 2.464 178.609 176.117 0.046 0.000 1.061 78 I CA 1.461 62.790 61.300 0.048 0.000 1.317 78 I CB -1.544 36.487 38.000 0.052 0.000 1.031 78 I HN -0.151 nan 8.210 nan 0.000 0.401 79 V N 1.254 121.192 119.914 0.041 0.000 2.250 79 V HA -0.337 3.788 4.120 0.008 0.000 0.250 79 V C 2.638 178.752 176.094 0.033 0.000 1.060 79 V CA 2.815 65.128 62.300 0.022 0.000 1.030 79 V CB -1.418 30.406 31.823 0.003 0.000 0.643 79 V HN 0.537 nan 8.190 nan 0.000 0.445 80 T N 0.673 115.255 114.554 0.047 0.000 2.597 80 T HA -0.314 4.041 4.350 0.008 0.000 0.267 80 T C 2.052 176.794 174.700 0.070 0.000 1.053 80 T CA 2.174 64.311 62.100 0.062 0.000 1.165 80 T CB -0.731 68.189 68.868 0.087 0.000 0.863 80 T HN 0.624 nan 8.240 nan 0.000 0.427 81 A N 1.660 124.522 122.820 0.068 0.000 1.865 81 A HA 0.057 4.382 4.320 0.008 0.000 0.217 81 A C 2.739 180.364 177.584 0.068 0.000 1.191 81 A CA 2.088 54.161 52.037 0.062 0.000 0.623 81 A CB -1.589 17.437 19.000 0.043 0.000 0.826 81 A HN 0.558 nan 8.150 nan 0.000 0.444 82 G N -0.119 108.723 108.800 0.069 0.000 2.475 82 G HA2 -0.237 3.728 3.960 0.008 0.000 0.220 82 G HA3 -0.237 3.728 3.960 0.008 0.000 0.220 82 G C 1.482 176.508 174.900 0.210 0.000 1.125 82 G CA 1.184 46.352 45.100 0.114 0.000 0.755 82 G HN 0.524 nan 8.290 nan 0.000 0.565 83 I N 0.575 121.257 120.570 0.187 0.000 2.226 83 I HA -0.156 4.019 4.170 0.008 0.000 0.245 83 I C 2.655 178.962 176.117 0.317 0.000 1.100 83 I CA 0.838 62.327 61.300 0.315 0.000 1.374 83 I CB -0.239 37.878 38.000 0.195 0.000 1.057 83 I HN 0.189 nan 8.210 nan 0.000 0.413 84 I N 0.020 120.705 120.570 0.190 0.000 2.113 84 I HA -0.307 3.868 4.170 0.008 0.000 0.238 84 I C 2.668 178.901 176.117 0.194 0.000 1.070 84 I CA 1.167 62.558 61.300 0.152 0.000 1.332 84 I CB -0.522 37.535 38.000 0.095 0.000 1.044 84 I HN 0.180 nan 8.210 nan 0.000 0.402 85 M N 0.513 120.228 119.600 0.191 0.000 2.110 85 M HA -0.255 4.230 4.480 0.008 0.000 0.257 85 M C 2.395 178.961 176.300 0.444 0.000 1.071 85 M CA 1.894 57.360 55.300 0.276 0.000 1.096 85 M CB -1.565 31.086 32.600 0.085 0.000 1.300 85 M HN 0.307 nan 8.290 nan 0.000 0.411 86 Q N 0.200 120.291 119.800 0.485 0.000 2.152 86 Q HA -0.096 4.249 4.340 0.008 0.000 0.206 86 Q C 2.322 178.606 176.000 0.474 0.000 0.985 86 Q CA 1.397 57.505 55.803 0.509 0.000 0.863 86 Q CB -0.816 28.270 28.738 0.580 0.000 0.904 86 Q HN 0.584 nan 8.270 nan 0.000 0.422 87 L N -0.338 121.090 121.223 0.342 0.000 2.023 87 L HA -0.160 4.185 4.340 0.008 0.000 0.205 87 L C 2.375 179.392 176.870 0.244 0.000 1.073 87 L CA 0.842 55.865 54.840 0.305 0.000 0.745 87 L CB -0.434 41.714 42.059 0.149 0.000 0.900 87 L HN 0.172 nan 8.230 nan 0.000 0.435 88 L N -1.082 120.248 121.223 0.179 0.000 1.950 88 L HA -0.149 4.196 4.340 0.008 0.000 0.210 88 L C 2.307 179.216 176.870 0.064 0.000 1.079 88 L CA 0.767 55.673 54.840 0.110 0.000 0.754 88 L CB -0.866 41.263 42.059 0.116 0.000 0.889 88 L HN -0.016 nan 8.230 nan 0.000 0.433 89 V N 0.700 120.688 119.914 0.123 0.000 3.244 89 V HA -0.173 3.952 4.120 0.008 0.000 0.273 89 V C 2.086 178.122 176.094 -0.097 0.000 1.180 89 V CA 1.577 63.898 62.300 0.035 0.000 1.182 89 V CB -1.437 30.448 31.823 0.103 0.000 0.796 89 V HN 0.632 nan 8.190 nan 0.000 0.543 90 G N 0.131 108.866 108.800 -0.110 0.000 2.692 90 G HA2 -0.086 3.879 3.960 0.008 0.000 0.209 90 G HA3 -0.086 3.879 3.960 0.008 0.000 0.209 90 G C 1.366 175.769 174.900 -0.828 0.000 1.166 90 G CA 0.703 45.510 45.100 -0.489 0.000 0.844 90 G HN 0.631 nan 8.290 nan 0.000 0.596 91 S N 0.717 116.072 115.700 -0.577 0.000 2.906 91 S HA 0.352 4.827 4.470 0.008 0.000 0.234 91 S C 1.870 176.343 174.600 -0.212 0.000 0.973 91 S CA 0.870 58.841 58.200 -0.382 0.000 1.036 91 S CB -0.598 62.561 63.200 -0.067 0.000 0.798 91 S HN 1.533 nan 8.310 nan 0.000 0.498 92 G N 1.816 110.483 108.800 -0.222 0.000 2.205 92 G HA2 -0.371 3.594 3.960 0.008 0.000 0.269 92 G HA3 -0.371 3.594 3.960 0.008 0.000 0.269 92 G C 0.723 175.578 174.900 -0.075 0.000 0.977 92 G CA 0.632 45.650 45.100 -0.136 0.000 0.652 92 G HN 0.638 nan 8.290 nan 0.000 0.539 93 I N -0.077 120.460 120.570 -0.055 0.000 2.367 93 I HA -0.150 4.025 4.170 0.008 0.000 0.256 93 I C 1.501 177.615 176.117 -0.005 0.000 1.132 93 I CA 1.581 62.871 61.300 -0.016 0.000 1.397 93 I CB -0.139 37.866 38.000 0.009 0.000 1.074 93 I HN 0.338 nan 8.210 nan 0.000 0.435 94 I N 0.138 120.703 120.570 -0.007 0.000 2.864 94 I HA 0.108 4.283 4.170 0.008 0.000 0.328 94 I C -0.282 175.829 176.117 -0.009 0.000 1.436 94 I CA -0.423 60.881 61.300 0.007 0.000 0.821 94 I CB 0.277 38.300 38.000 0.038 0.000 2.121 94 I HN 0.065 nan 8.210 nan 0.000 0.582 95 Q N 2.923 122.701 119.800 -0.035 0.000 2.873 95 Q HA 0.073 4.418 4.340 0.008 0.000 0.385 95 Q C -0.531 175.442 176.000 -0.045 0.000 1.117 95 Q CA 1.107 56.877 55.803 -0.055 0.000 1.167 95 Q CB 0.375 29.080 28.738 -0.055 0.000 1.105 95 Q HN 0.463 nan 8.270 nan 0.000 0.444 96 M N 2.104 121.663 119.600 -0.069 0.000 2.284 96 M HA 0.167 4.652 4.480 0.008 0.000 0.281 96 M C -1.317 174.927 176.300 -0.092 0.000 1.083 96 M CA -0.566 54.697 55.300 -0.061 0.000 0.965 96 M CB 2.155 34.732 32.600 -0.039 0.000 1.717 96 M HN 0.434 nan 8.290 nan 0.000 0.479 97 D N 4.295 124.652 120.400 -0.072 0.000 2.499 97 D HA 0.278 4.923 4.640 0.008 0.000 0.225 97 D C 1.017 177.272 176.300 -0.075 0.000 1.124 97 D CA -0.094 53.858 54.000 -0.081 0.000 0.938 97 D CB 0.671 41.433 40.800 -0.063 0.000 1.014 97 D HN 0.682 nan 8.370 nan 0.000 0.517 98 L N 2.094 123.255 121.223 -0.102 0.000 2.054 98 L HA -0.400 3.946 4.340 0.008 0.000 0.220 98 L C 2.635 179.471 176.870 -0.058 0.000 1.081 98 L CA 1.671 56.461 54.840 -0.084 0.000 0.780 98 L CB -1.137 40.842 42.059 -0.134 0.000 0.893 98 L HN 0.432 nan 8.230 nan 0.000 0.438 99 S N 0.414 116.074 115.700 -0.066 0.000 2.507 99 S HA -0.338 4.137 4.470 0.008 0.000 0.327 99 S C 0.883 175.462 174.600 -0.035 0.000 1.255 99 S CA 1.638 59.807 58.200 -0.051 0.000 1.276 99 S CB -1.652 61.519 63.200 -0.049 0.000 1.296 99 S HN 0.372 nan 8.310 nan 0.000 0.459 100 I N 3.713 124.266 120.570 -0.028 0.000 2.710 100 I HA 0.093 4.268 4.170 0.008 0.000 0.286 100 I C -1.368 174.742 176.117 -0.011 0.000 1.181 100 I CA -1.639 59.650 61.300 -0.018 0.000 1.430 100 I CB 0.410 38.401 38.000 -0.015 0.000 1.367 100 I HN 0.138 nan 8.210 nan 0.000 0.577 101 P HA -0.216 nan 4.420 nan 0.000 0.219 101 P C 0.938 178.243 177.300 0.008 0.000 1.145 101 P CA 1.386 64.486 63.100 -0.000 0.000 0.813 101 P CB 0.172 31.871 31.700 -0.002 0.000 0.771 102 E N -0.491 119.713 120.200 0.007 0.000 1.993 102 E HA -0.200 4.155 4.350 0.008 0.000 0.198 102 E C 1.790 178.405 176.600 0.026 0.000 0.999 102 E CA 1.468 57.876 56.400 0.014 0.000 0.850 102 E CB -0.779 28.926 29.700 0.009 0.000 0.796 102 E HN 0.233 nan 8.360 nan 0.000 0.482 103 N N 0.688 119.401 118.700 0.021 0.000 2.133 103 N HA -0.235 4.510 4.740 0.008 0.000 0.193 103 N C 1.674 177.224 175.510 0.067 0.000 1.012 103 N CA 1.323 54.394 53.050 0.035 0.000 0.871 103 N CB -0.266 38.221 38.487 -0.000 0.000 1.011 103 N HN 0.103 nan 8.380 nan 0.000 0.435 104 R N 0.477 121.001 120.500 0.041 0.000 2.070 104 R HA 0.013 4.358 4.340 0.008 0.000 0.233 104 R C 1.784 178.143 176.300 0.098 0.000 1.137 104 R CA 1.541 57.677 56.100 0.061 0.000 0.945 104 R CB -0.317 29.995 30.300 0.020 0.000 0.845 104 R HN 0.292 nan 8.270 nan 0.000 0.430 105 A N 0.546 123.401 122.820 0.058 0.000 2.168 105 A HA 0.016 4.341 4.320 0.008 0.000 0.215 105 A C 2.034 179.648 177.584 0.049 0.000 1.152 105 A CA 0.592 52.656 52.037 0.045 0.000 0.716 105 A CB -0.164 18.850 19.000 0.023 0.000 0.794 105 A HN 0.299 nan 8.150 nan 0.000 0.465 106 L N -2.333 118.933 121.223 0.073 0.000 2.071 106 L HA -0.017 4.328 4.340 0.008 0.000 0.201 106 L C 2.369 179.300 176.870 0.102 0.000 1.076 106 L CA 1.274 56.158 54.840 0.073 0.000 0.755 106 L CB -0.708 41.397 42.059 0.076 0.000 0.915 106 L HN 0.446 nan 8.230 nan 0.000 0.445 107 F N 1.108 121.060 119.950 0.002 0.000 2.091 107 F HA -0.312 4.221 4.527 0.010 0.000 0.299 107 F C 2.517 178.329 175.800 0.020 0.000 1.103 107 F CA 1.832 59.839 58.000 0.011 0.000 1.228 107 F CB -0.197 38.803 39.000 0.000 0.000 0.984 107 F HN 0.026 nan 8.300 nan 0.000 0.477 108 Q N 0.323 120.108 119.800 -0.026 0.000 1.916 108 Q HA 0.029 4.374 4.340 0.008 0.000 0.203 108 Q C 2.637 178.566 176.000 -0.117 0.000 0.983 108 Q CA 2.040 57.774 55.803 -0.115 0.000 0.846 108 Q CB -1.465 27.281 28.738 0.012 0.000 0.909 108 Q HN 0.460 nan 8.270 nan 0.000 0.427 109 G N 0.064 108.835 108.800 -0.048 0.000 2.606 109 G HA2 -0.401 3.564 3.960 0.008 0.000 0.221 109 G HA3 -0.401 3.564 3.960 0.008 0.000 0.221 109 G C 1.803 176.672 174.900 -0.052 0.000 1.152 109 G CA 1.339 46.415 45.100 -0.039 0.000 0.765 109 G HN 0.526 nan 8.290 nan 0.000 0.595 110 C N -0.208 119.055 119.300 -0.062 0.000 2.413 110 C HA -0.092 4.373 4.460 0.008 0.000 0.278 110 C C 2.795 177.728 174.990 -0.095 0.000 1.224 110 C CA 1.913 60.895 59.018 -0.060 0.000 1.732 110 C CB -1.049 26.663 27.740 -0.046 0.000 2.050 110 C HN 0.640 nan 8.230 nan 0.000 0.463 111 Q N 0.300 119.980 119.800 -0.199 0.000 2.133 111 Q HA -0.274 4.071 4.340 0.008 0.000 0.208 111 Q C 2.364 178.307 176.000 -0.095 0.000 0.991 111 Q CA 2.022 57.704 55.803 -0.201 0.000 0.867 111 Q CB -0.304 28.214 28.738 -0.367 0.000 0.911 111 Q HN 0.588 nan 8.270 nan 0.000 0.417 112 K N 0.774 121.123 120.400 -0.085 0.000 2.001 112 K HA -0.198 4.127 4.320 0.008 0.000 0.214 112 K C 2.123 178.722 176.600 -0.003 0.000 1.050 112 K CA 1.381 57.643 56.287 -0.041 0.000 0.934 112 K CB -0.881 31.590 32.500 -0.049 0.000 0.718 112 K HN 0.375 nan 8.250 nan 0.000 0.443 113 L N 1.632 122.854 121.223 -0.001 0.000 1.978 113 L HA -0.230 4.115 4.340 0.008 0.000 0.218 113 L C 2.450 179.343 176.870 0.039 0.000 1.075 113 L CA 1.825 56.680 54.840 0.024 0.000 0.767 113 L CB -1.238 40.831 42.059 0.016 0.000 0.890 113 L HN 0.305 nan 8.230 nan 0.000 0.434 114 L N 0.109 121.347 121.223 0.025 0.000 2.129 114 L HA -0.215 4.130 4.340 0.008 0.000 0.212 114 L C 2.777 179.685 176.870 0.063 0.000 1.087 114 L CA 2.144 57.011 54.840 0.044 0.000 0.757 114 L CB -0.875 41.200 42.059 0.026 0.000 0.896 114 L HN 0.374 nan 8.230 nan 0.000 0.434 115 S N -1.023 114.705 115.700 0.047 0.000 2.382 115 S HA -0.139 4.336 4.470 0.008 0.000 0.228 115 S C 1.859 176.511 174.600 0.087 0.000 1.027 115 S CA 1.618 59.853 58.200 0.058 0.000 0.991 115 S CB -0.307 62.916 63.200 0.038 0.000 0.823 115 S HN 0.467 nan 8.310 nan 0.000 0.469 116 I N 1.175 121.808 120.570 0.104 0.000 2.406 116 I HA 0.023 4.198 4.170 0.008 0.000 0.249 116 I C 2.046 178.311 176.117 0.248 0.000 1.122 116 I CA 0.681 62.078 61.300 0.161 0.000 1.431 116 I CB -0.444 37.648 38.000 0.152 0.000 1.087 116 I HN 0.286 nan 8.210 nan 0.000 0.424 117 I N -0.247 120.425 120.570 0.171 0.000 2.099 117 I HA -0.329 3.846 4.170 0.008 0.000 0.239 117 I C 2.403 178.653 176.117 0.222 0.000 1.066 117 I CA 1.397 62.800 61.300 0.171 0.000 1.324 117 I CB -0.312 37.755 38.000 0.113 0.000 1.037 117 I HN 0.204 nan 8.210 nan 0.000 0.401 118 M N -0.409 119.297 119.600 0.176 0.000 2.358 118 M HA -0.227 4.258 4.480 0.008 0.000 0.264 118 M C 2.473 178.869 176.300 0.160 0.000 1.064 118 M CA 1.219 56.626 55.300 0.177 0.000 1.093 118 M CB -1.735 30.950 32.600 0.142 0.000 1.401 118 M HN 0.461 nan 8.290 nan 0.000 0.440 119 C N 0.072 119.458 119.300 0.143 0.000 2.413 119 C HA -0.214 4.252 4.460 0.008 0.000 0.276 119 C C 2.655 177.631 174.990 -0.023 0.000 1.236 119 C CA 0.935 59.968 59.018 0.026 0.000 1.735 119 C CB -1.081 26.648 27.740 -0.019 0.000 2.031 119 C HN 0.457 nan 8.230 nan 0.000 0.474 120 F N 0.210 120.191 119.950 0.052 0.000 2.187 120 F HA -0.012 4.520 4.527 0.008 0.000 0.295 120 F C 2.268 178.112 175.800 0.073 0.000 1.091 120 F CA 1.313 59.350 58.000 0.061 0.000 1.308 120 F CB -0.946 38.093 39.000 0.064 0.000 1.030 120 F HN 0.004 nan 8.300 nan 0.000 0.487 121 V N 0.192 120.276 119.914 0.284 0.000 2.287 121 V HA -0.279 3.846 4.120 0.008 0.000 0.248 121 V C 2.354 178.561 176.094 0.188 0.000 1.053 121 V CA 1.965 64.396 62.300 0.219 0.000 1.027 121 V CB -0.558 31.416 31.823 0.251 0.000 0.646 121 V HN 0.294 nan 8.190 nan 0.000 0.447 122 E N 0.323 120.635 120.200 0.186 0.000 2.051 122 E HA -0.221 4.134 4.350 0.008 0.000 0.192 122 E C 2.399 179.080 176.600 0.134 0.000 0.991 122 E CA 1.514 58.017 56.400 0.172 0.000 0.799 122 E CB -0.585 29.177 29.700 0.103 0.000 0.748 122 E HN 0.576 nan 8.360 nan 0.000 0.449 123 A N 1.478 124.335 122.820 0.061 0.000 1.859 123 A HA -0.218 4.107 4.320 0.008 0.000 0.218 123 A C 2.657 180.316 177.584 0.125 0.000 1.209 123 A CA 2.328 54.389 52.037 0.039 0.000 0.639 123 A CB -1.084 17.883 19.000 -0.055 0.000 0.835 123 A HN 0.147 nan 8.150 nan 0.000 0.450 124 V N -0.397 119.587 119.914 0.116 0.000 2.469 124 V HA -0.233 3.892 4.120 0.008 0.000 0.251 124 V C 2.494 178.642 176.094 0.091 0.000 1.064 124 V CA 1.936 64.296 62.300 0.101 0.000 1.066 124 V CB -0.890 30.993 31.823 0.100 0.000 0.667 124 V HN 0.560 nan 8.190 nan 0.000 0.461 125 L N -1.221 120.059 121.223 0.096 0.000 2.141 125 L HA -0.049 4.296 4.340 0.008 0.000 0.209 125 L C 2.078 179.031 176.870 0.140 0.000 1.094 125 L CA 1.750 56.610 54.840 0.033 0.000 0.763 125 L CB -0.488 41.572 42.059 0.001 0.000 0.908 125 L HN 0.211 nan 8.230 nan 0.000 0.437 126 F N -1.324 118.658 119.950 0.053 0.000 2.098 126 F HA -0.142 4.390 4.527 0.008 0.000 0.294 126 F C 2.505 178.402 175.800 0.162 0.000 1.107 126 F CA 1.810 59.874 58.000 0.106 0.000 1.234 126 F CB -0.631 38.468 39.000 0.165 0.000 1.002 126 F HN -0.055 nan 8.300 nan 0.000 0.472 127 V N -0.336 119.799 119.914 0.368 0.000 2.427 127 V HA -0.133 3.992 4.120 0.008 0.000 0.248 127 V C 2.251 178.421 176.094 0.127 0.000 1.051 127 V CA 2.179 64.648 62.300 0.281 0.000 1.048 127 V CB -1.010 30.878 31.823 0.109 0.000 0.666 127 V HN 0.390 nan 8.190 nan 0.000 0.456 128 G N -1.153 107.689 108.800 0.070 0.000 2.598 128 G HA2 0.028 3.993 3.960 0.008 0.000 0.215 128 G HA3 0.028 3.993 3.960 0.008 0.000 0.215 128 G C 1.382 176.260 174.900 -0.037 0.000 1.131 128 G CA 0.665 45.767 45.100 0.003 0.000 0.785 128 G HN 0.767 nan 8.290 nan 0.000 0.539 129 A N -0.272 122.520 122.820 -0.047 0.000 2.275 129 A HA 0.512 4.837 4.320 0.008 0.000 0.212 129 A C 1.692 179.213 177.584 -0.106 0.000 1.201 129 A CA 0.977 52.945 52.037 -0.116 0.000 0.843 129 A CB -0.294 18.592 19.000 -0.190 0.000 0.873 129 A HN 1.484 nan 8.150 nan 0.000 0.492 130 G N -1.205 107.572 108.800 -0.039 0.000 2.326 130 G HA2 0.045 4.010 3.960 0.008 0.000 0.286 130 G HA3 0.045 4.010 3.960 0.008 0.000 0.286 130 G C 0.722 175.576 174.900 -0.077 0.000 1.096 130 G CA 0.323 45.413 45.100 -0.017 0.000 1.003 130 G HN 1.353 nan 8.290 nan 0.000 0.503 131 A N -1.263 121.507 122.820 -0.083 0.000 2.178 131 A HA 0.648 4.973 4.320 0.008 0.000 0.211 131 A C 1.572 178.834 177.584 -0.537 0.000 1.157 131 A CA 1.658 53.471 52.037 -0.374 0.000 0.780 131 A CB -0.030 18.627 19.000 -0.572 0.000 0.828 131 A HN 0.721 nan 8.150 nan 0.000 0.476 132 F N -2.572 117.365 119.950 -0.021 0.000 2.640 132 F HA 0.423 4.955 4.527 0.008 0.000 0.285 132 F C 1.989 177.781 175.800 -0.014 0.000 1.031 132 F CA 0.528 58.525 58.000 -0.005 0.000 1.240 132 F CB 0.254 39.258 39.000 0.005 0.000 1.011 132 F HN 0.318 nan 8.300 nan 0.000 0.656 133 G N 0.858 109.758 108.800 0.166 0.000 2.784 133 G HA2 -0.213 3.752 3.960 0.008 0.000 0.204 133 G HA3 -0.213 3.752 3.960 0.008 0.000 0.204 133 G C 0.157 175.095 174.900 0.063 0.000 1.300 133 G CA -0.194 44.955 45.100 0.081 0.000 0.863 133 G HN 0.098 nan 8.290 nan 0.000 0.541 134 I N 2.823 123.433 120.570 0.066 0.000 2.269 134 I HA 0.305 4.480 4.170 0.008 0.000 0.293 134 I C 0.613 176.739 176.117 0.017 0.000 1.106 134 I CA -0.495 60.822 61.300 0.028 0.000 1.248 134 I CB 1.083 39.089 38.000 0.010 0.000 1.444 134 I HN 0.093 nan 8.210 nan 0.000 0.497 135 L N 5.215 126.447 121.223 0.015 0.000 2.777 135 L HA 0.066 4.411 4.340 0.008 0.000 0.244 135 L C 1.035 177.905 176.870 0.000 0.000 1.235 135 L CA 0.370 55.215 54.840 0.009 0.000 1.062 135 L CB -1.448 40.617 42.059 0.011 0.000 1.340 135 L HN 0.463 nan 8.230 nan 0.000 0.439 136 T N 1.953 116.502 114.554 -0.008 0.000 2.708 136 T HA -0.032 4.323 4.350 0.008 0.000 0.257 136 T C -1.160 173.542 174.700 0.003 0.000 1.002 136 T CA -0.468 61.627 62.100 -0.007 0.000 1.269 136 T CB 0.172 69.030 68.868 -0.017 0.000 0.966 136 T HN 0.165 nan 8.240 nan 0.000 0.534 137 P HA -0.209 nan 4.420 nan 0.000 0.222 137 P C 1.514 178.844 177.300 0.051 0.000 1.154 137 P CA 0.621 63.737 63.100 0.026 0.000 0.874 137 P CB 0.098 31.803 31.700 0.007 0.000 0.787 138 L N -1.323 119.918 121.223 0.029 0.000 1.993 138 L HA -0.083 4.262 4.340 0.008 0.000 0.206 138 L C 2.154 179.076 176.870 0.086 0.000 1.074 138 L CA 1.779 56.647 54.840 0.046 0.000 0.746 138 L CB -1.647 40.422 42.059 0.016 0.000 0.896 138 L HN -0.139 nan 8.230 nan 0.000 0.435 139 L N 0.237 121.472 121.223 0.021 0.000 2.042 139 L HA -0.094 4.251 4.340 0.008 0.000 0.210 139 L C 2.546 179.385 176.870 -0.052 0.000 1.076 139 L CA 2.085 56.905 54.840 -0.034 0.000 0.749 139 L CB -1.245 40.764 42.059 -0.084 0.000 0.893 139 L HN 0.378 nan 8.230 nan 0.000 0.432 140 A N -0.822 121.982 122.820 -0.026 0.000 1.873 140 A HA -0.314 4.011 4.320 0.008 0.000 0.218 140 A C 2.289 179.868 177.584 -0.008 0.000 1.193 140 A CA 2.103 54.112 52.037 -0.046 0.000 0.629 140 A CB -1.282 17.721 19.000 0.004 0.000 0.826 140 A HN 0.537 nan 8.150 nan 0.000 0.447 141 F N 0.893 120.810 119.950 -0.054 0.000 2.046 141 F HA -0.220 4.312 4.527 0.009 0.000 0.297 141 F C 1.990 177.764 175.800 -0.043 0.000 1.123 141 F CA 2.058 60.041 58.000 -0.028 0.000 1.199 141 F CB -0.551 38.441 39.000 -0.014 0.000 0.972 141 F HN 0.178 nan 8.300 nan 0.000 0.474 142 L N -0.185 121.062 121.223 0.039 0.000 1.991 142 L HA -0.342 4.003 4.340 0.008 0.000 0.221 142 L C 2.389 179.123 176.870 -0.227 0.000 1.079 142 L CA 1.823 56.613 54.840 -0.083 0.000 0.778 142 L CB -1.546 40.545 42.059 0.053 0.000 0.893 142 L HN 0.126 nan 8.230 nan 0.000 0.437 143 V N 0.331 120.112 119.914 -0.222 0.000 2.219 143 V HA -0.349 3.776 4.120 0.008 0.000 0.248 143 V C 2.391 178.319 176.094 -0.277 0.000 1.053 143 V CA 2.389 64.515 62.300 -0.289 0.000 1.009 143 V CB -0.484 31.059 31.823 -0.467 0.000 0.636 143 V HN 0.334 nan 8.190 nan 0.000 0.445 144 I N -0.450 119.959 120.570 -0.268 0.000 2.182 144 I HA -0.344 3.831 4.170 0.008 0.000 0.248 144 I C 2.327 178.300 176.117 -0.239 0.000 1.073 144 I CA 1.636 62.815 61.300 -0.202 0.000 1.335 144 I CB -0.501 37.414 38.000 -0.141 0.000 1.031 144 I HN 0.278 nan 8.210 nan 0.000 0.420 145 I N 0.620 120.964 120.570 -0.376 0.000 2.032 145 I HA -0.357 3.818 4.170 0.008 0.000 0.228 145 I C 2.624 178.565 176.117 -0.293 0.000 1.030 145 I CA 1.799 62.862 61.300 -0.395 0.000 1.318 145 I CB -1.562 36.098 38.000 -0.568 0.000 1.049 145 I HN 0.363 nan 8.210 nan 0.000 0.387 146 Q N 0.180 119.812 119.800 -0.281 0.000 2.124 146 Q HA -0.262 4.084 4.340 0.008 0.000 0.215 146 Q C 2.117 178.067 176.000 -0.083 0.000 1.015 146 Q CA 2.004 57.710 55.803 -0.161 0.000 0.890 146 Q CB -0.287 28.385 28.738 -0.109 0.000 0.966 146 Q HN 0.431 nan 8.270 nan 0.000 0.412 147 I N 0.589 121.091 120.570 -0.112 0.000 2.032 147 I HA -0.328 3.847 4.170 0.008 0.000 0.231 147 I C 2.427 178.463 176.117 -0.135 0.000 1.035 147 I CA 1.829 63.068 61.300 -0.101 0.000 1.312 147 I CB -1.755 36.187 38.000 -0.097 0.000 1.041 147 I HN 0.272 nan 8.210 nan 0.000 0.390 148 A N 0.128 122.809 122.820 -0.231 0.000 1.997 148 A HA -0.257 4.068 4.320 0.008 0.000 0.221 148 A C 2.207 179.588 177.584 -0.339 0.000 1.172 148 A CA 1.792 53.581 52.037 -0.414 0.000 0.645 148 A CB -1.030 17.414 19.000 -0.926 0.000 0.813 148 A HN 0.375 nan 8.150 nan 0.000 0.454 149 F N 0.151 119.857 119.950 -0.406 0.000 2.146 149 F HA 0.012 4.544 4.527 0.009 0.000 0.298 149 F C 2.597 178.298 175.800 -0.166 0.000 1.096 149 F CA 0.906 58.758 58.000 -0.246 0.000 1.275 149 F CB -0.968 37.934 39.000 -0.164 0.000 1.008 149 F HN 0.266 nan 8.300 nan 0.000 0.480 150 G N -1.492 107.324 108.800 0.027 0.000 2.433 150 G HA2 -0.310 3.655 3.960 0.008 0.000 0.216 150 G HA3 -0.310 3.655 3.960 0.008 0.000 0.216 150 G C 1.907 176.770 174.900 -0.062 0.000 1.186 150 G CA 1.102 46.187 45.100 -0.025 0.000 0.779 150 G HN 0.380 nan 8.290 nan 0.000 0.543 151 S N 0.066 115.712 115.700 -0.090 0.000 2.402 151 S HA -0.143 4.332 4.470 0.008 0.000 0.233 151 S C 2.365 176.939 174.600 -0.044 0.000 1.030 151 S CA 1.142 59.294 58.200 -0.079 0.000 1.003 151 S CB -0.256 62.881 63.200 -0.105 0.000 0.813 151 S HN 0.198 nan 8.310 nan 0.000 0.477 152 I N 1.701 122.218 120.570 -0.089 0.000 2.179 152 I HA -0.147 4.028 4.170 0.008 0.000 0.242 152 I C 2.271 178.401 176.117 0.022 0.000 1.088 152 I CA 1.254 62.512 61.300 -0.069 0.000 1.357 152 I CB -1.270 36.576 38.000 -0.257 0.000 1.051 152 I HN 0.389 nan 8.210 nan 0.000 0.409 153 I N 0.444 121.005 120.570 -0.016 0.000 2.248 153 I HA -0.334 3.841 4.170 0.008 0.000 0.248 153 I C 2.559 178.743 176.117 0.112 0.000 1.107 153 I CA 1.321 62.641 61.300 0.033 0.000 1.373 153 I CB -0.230 37.774 38.000 0.007 0.000 1.055 153 I HN 0.220 nan 8.210 nan 0.000 0.418 154 L N 0.352 121.622 121.223 0.078 0.000 2.027 154 L HA -0.205 4.140 4.340 0.008 0.000 0.206 154 L C 2.557 179.574 176.870 0.246 0.000 1.074 154 L CA 1.442 56.367 54.840 0.143 0.000 0.745 154 L CB -0.574 41.506 42.059 0.035 0.000 0.898 154 L HN 0.197 nan 8.230 nan 0.000 0.433 155 I N -1.078 119.607 120.570 0.191 0.000 2.185 155 I HA -0.366 3.809 4.170 0.008 0.000 0.246 155 I C 2.378 178.555 176.117 0.099 0.000 1.088 155 I CA 1.806 63.201 61.300 0.157 0.000 1.347 155 I CB -0.559 37.550 38.000 0.183 0.000 1.041 155 I HN 0.186 nan 8.210 nan 0.000 0.415 156 Y N 0.317 120.628 120.300 0.018 0.000 2.420 156 Y HA 0.024 4.579 4.550 0.009 0.000 0.292 156 Y C 2.310 178.209 175.900 -0.002 0.000 1.119 156 Y CA 0.675 58.770 58.100 -0.007 0.000 1.229 156 Y CB -0.293 38.153 38.460 -0.025 0.000 1.026 156 Y HN 0.064 nan 8.280 nan 0.000 0.554 157 L N -0.454 120.886 121.223 0.194 0.000 2.156 157 L HA -0.186 4.159 4.340 0.008 0.000 0.208 157 L C 2.056 178.976 176.870 0.082 0.000 1.095 157 L CA 1.522 56.463 54.840 0.168 0.000 0.770 157 L CB -0.301 41.946 42.059 0.313 0.000 0.914 157 L HN 0.153 nan 8.230 nan 0.000 0.439 158 D N -0.081 120.369 120.400 0.083 0.000 2.084 158 D HA -0.219 4.426 4.640 0.008 0.000 0.194 158 D C 2.048 178.277 176.300 -0.117 0.000 0.990 158 D CA 1.183 55.139 54.000 -0.073 0.000 0.826 158 D CB 0.157 40.937 40.800 -0.033 0.000 0.971 158 D HN 0.106 nan 8.370 nan 0.000 0.453 159 E N 0.235 120.356 120.200 -0.133 0.000 2.086 159 E HA -0.202 4.153 4.350 0.008 0.000 0.200 159 E C 2.479 178.980 176.600 -0.165 0.000 1.012 159 E CA 0.839 57.133 56.400 -0.178 0.000 0.812 159 E CB -0.389 29.134 29.700 -0.294 0.000 0.743 159 E HN 0.523 nan 8.360 nan 0.000 0.453 160 I N 0.684 121.137 120.570 -0.195 0.000 2.099 160 I HA -0.275 3.900 4.170 0.008 0.000 0.239 160 I C 2.541 178.507 176.117 -0.253 0.000 1.066 160 I CA 1.122 62.226 61.300 -0.326 0.000 1.324 160 I CB -0.640 37.145 38.000 -0.357 0.000 1.037 160 I HN -0.057 nan 8.210 nan 0.000 0.401 161 V N 0.255 120.061 119.914 -0.180 0.000 2.332 161 V HA -0.268 3.857 4.120 0.008 0.000 0.248 161 V C 2.448 178.469 176.094 -0.122 0.000 1.055 161 V CA 2.199 64.413 62.300 -0.144 0.000 1.038 161 V CB -0.942 30.774 31.823 -0.178 0.000 0.651 161 V HN 0.378 nan 8.190 nan 0.000 0.450 162 S N -0.435 115.191 115.700 -0.123 0.000 2.442 162 S HA -0.126 4.349 4.470 0.008 0.000 0.236 162 S C 1.526 176.084 174.600 -0.069 0.000 1.007 162 S CA 1.353 59.497 58.200 -0.093 0.000 0.965 162 S CB -0.183 62.962 63.200 -0.091 0.000 0.773 162 S HN 0.706 nan 8.310 nan 0.000 0.504 163 K N -1.282 119.090 120.400 -0.047 0.000 2.520 163 K HA 0.260 4.585 4.320 0.008 0.000 0.206 163 K C -0.349 176.207 176.600 -0.072 0.000 1.122 163 K CA 0.073 56.344 56.287 -0.027 0.000 1.045 163 K CB 0.815 33.335 32.500 0.033 0.000 0.932 163 K HN 0.239 nan 8.250 nan 0.000 0.571 164 Y N -0.763 119.334 120.300 -0.338 0.000 2.648 164 Y HA 0.253 4.808 4.550 0.008 0.000 0.270 164 Y C 1.033 176.773 175.900 -0.266 0.000 1.043 164 Y CA -0.417 57.392 58.100 -0.484 0.000 1.238 164 Y CB 1.641 39.362 38.460 -1.233 0.000 1.385 164 Y HN 0.076 nan 8.280 nan 0.000 0.569 165 G N -0.287 108.492 108.800 -0.035 0.000 3.291 165 G HA2 0.586 4.551 3.960 0.008 0.000 0.173 165 G HA3 0.586 4.551 3.960 0.008 0.000 0.173 165 G C -0.725 174.149 174.900 -0.043 0.000 1.099 165 G CA -0.490 44.623 45.100 0.022 0.000 0.794 165 G HN -0.084 nan 8.290 nan 0.000 0.651 166 I N -0.242 120.287 120.570 -0.068 0.000 3.067 166 I HA 0.612 4.787 4.170 0.008 0.000 0.312 166 I C 1.184 177.247 176.117 -0.090 0.000 1.073 166 I CA -0.187 61.062 61.300 -0.085 0.000 1.016 166 I CB 1.621 39.550 38.000 -0.118 0.000 1.227 166 I HN 1.018 nan 8.210 nan 0.000 0.456 167 G N 2.052 110.804 108.800 -0.080 0.000 2.581 167 G HA2 -0.249 3.717 3.960 0.008 0.000 0.291 167 G HA3 -0.249 3.717 3.960 0.008 0.000 0.291 167 G C -0.176 174.659 174.900 -0.108 0.000 1.277 167 G CA 0.351 45.396 45.100 -0.091 0.000 0.959 167 G HN 0.900 nan 8.290 nan 0.000 0.554 168 S N -1.270 114.339 115.700 -0.151 0.000 2.549 168 S HA 0.675 5.150 4.470 0.008 0.000 0.280 168 S C 1.326 175.717 174.600 -0.348 0.000 1.109 168 S CA 0.439 58.526 58.200 -0.188 0.000 0.905 168 S CB 1.252 64.380 63.200 -0.120 0.000 1.081 168 S HN 2.020 nan 8.310 nan 0.000 0.477 169 G N 3.120 111.661 108.800 -0.431 0.000 2.604 169 G HA2 -0.097 3.868 3.960 0.008 0.000 0.216 169 G HA3 -0.097 3.868 3.960 0.008 0.000 0.216 169 G C 1.338 175.609 174.900 -1.049 0.000 1.265 169 G CA 1.304 45.875 45.100 -0.881 0.000 0.804 169 G HN 0.800 nan 8.290 nan 0.000 0.579 170 I N 1.490 121.771 120.570 -0.482 0.000 2.093 170 I HA -0.270 3.905 4.170 0.008 0.000 0.239 170 I C 3.107 179.095 176.117 -0.214 0.000 1.026 170 I CA 1.617 62.801 61.300 -0.192 0.000 1.295 170 I CB -1.233 36.731 38.000 -0.059 0.000 1.007 170 I HN 0.279 nan 8.210 nan 0.000 0.401 171 G N 1.235 109.920 108.800 -0.191 0.000 2.574 171 G HA2 -0.306 3.659 3.960 0.008 0.000 0.220 171 G HA3 -0.306 3.659 3.960 0.008 0.000 0.220 171 G C 1.681 176.470 174.900 -0.185 0.000 1.173 171 G CA 1.317 46.331 45.100 -0.143 0.000 0.772 171 G HN 0.411 nan 8.290 nan 0.000 0.585 172 L N -0.412 120.624 121.223 -0.312 0.000 1.933 172 L HA -0.127 4.218 4.340 0.008 0.000 0.220 172 L C 2.847 179.572 176.870 -0.242 0.000 1.078 172 L CA 2.184 56.837 54.840 -0.312 0.000 0.773 172 L CB -0.582 41.198 42.059 -0.465 0.000 0.890 172 L HN 0.363 nan 8.230 nan 0.000 0.434 173 F N 0.006 119.712 119.950 -0.407 0.000 2.079 173 F HA -0.420 4.113 4.527 0.009 0.000 0.296 173 F C 2.480 178.106 175.800 -0.291 0.000 1.084 173 F CA 1.608 59.233 58.000 -0.624 0.000 1.236 173 F CB -0.525 38.198 39.000 -0.462 0.000 0.984 173 F HN 0.229 nan 8.300 nan 0.000 0.488 174 I N 0.021 120.613 120.570 0.037 0.000 2.113 174 I HA -0.303 3.872 4.170 0.008 0.000 0.238 174 I C 2.779 178.908 176.117 0.019 0.000 1.070 174 I CA 1.238 62.560 61.300 0.037 0.000 1.332 174 I CB -0.812 37.191 38.000 0.005 0.000 1.044 174 I HN 0.112 nan 8.210 nan 0.000 0.402 175 A N 0.785 123.594 122.820 -0.018 0.000 1.908 175 A HA -0.191 4.134 4.320 0.008 0.000 0.218 175 A C 2.538 180.139 177.584 0.029 0.000 1.181 175 A CA 1.964 53.995 52.037 -0.010 0.000 0.627 175 A CB -0.892 18.087 19.000 -0.034 0.000 0.818 175 A HN 0.467 nan 8.150 nan 0.000 0.445 176 A N -0.403 122.435 122.820 0.031 0.000 1.865 176 A HA 0.050 4.375 4.320 0.008 0.000 0.217 176 A C 2.485 180.278 177.584 0.349 0.000 1.191 176 A CA 2.212 54.357 52.037 0.180 0.000 0.623 176 A CB -1.566 17.390 19.000 -0.074 0.000 0.826 176 A HN 0.792 nan 8.150 nan 0.000 0.444 177 G N -0.619 108.357 108.800 0.294 0.000 2.459 177 G HA2 -0.142 3.823 3.960 0.008 0.000 0.217 177 G HA3 -0.142 3.823 3.960 0.008 0.000 0.217 177 G C 1.541 176.528 174.900 0.146 0.000 1.183 177 G CA 1.504 46.785 45.100 0.302 0.000 0.776 177 G HN 0.362 nan 8.290 nan 0.000 0.552 178 V N 1.101 121.064 119.914 0.082 0.000 2.233 178 V HA -0.215 3.910 4.120 0.008 0.000 0.247 178 V C 3.114 179.207 176.094 -0.001 0.000 1.050 178 V CA 2.350 64.661 62.300 0.019 0.000 1.010 178 V CB -0.969 30.851 31.823 -0.006 0.000 0.637 178 V HN 0.373 nan 8.190 nan 0.000 0.444 179 S N -0.833 114.858 115.700 -0.016 0.000 2.365 179 S HA -0.348 4.127 4.470 0.008 0.000 0.225 179 S C 2.002 176.524 174.600 -0.131 0.000 1.039 179 S CA 2.173 60.306 58.200 -0.111 0.000 1.033 179 S CB -0.422 62.690 63.200 -0.146 0.000 0.887 179 S HN 0.690 nan 8.310 nan 0.000 0.447 180 Q N 0.549 120.309 119.800 -0.067 0.000 2.002 180 Q HA -0.172 4.173 4.340 0.008 0.000 0.204 180 Q C 2.046 178.037 176.000 -0.016 0.000 0.988 180 Q CA 2.025 57.762 55.803 -0.110 0.000 0.843 180 Q CB -0.537 28.106 28.738 -0.158 0.000 0.908 180 Q HN 0.483 nan 8.270 nan 0.000 0.420 181 T N 1.545 116.107 114.554 0.013 0.000 2.714 181 T HA -0.210 4.145 4.350 0.008 0.000 0.268 181 T C 1.772 176.500 174.700 0.047 0.000 1.036 181 T CA 1.670 63.786 62.100 0.026 0.000 1.148 181 T CB -0.242 68.632 68.868 0.010 0.000 0.856 181 T HN 0.300 nan 8.240 nan 0.000 0.462 182 I N -0.472 120.129 120.570 0.051 0.000 2.162 182 I HA -0.066 4.109 4.170 0.008 0.000 0.238 182 I C 2.079 178.316 176.117 0.199 0.000 1.076 182 I CA 1.431 62.789 61.300 0.097 0.000 1.353 182 I CB -0.408 37.646 38.000 0.091 0.000 1.063 182 I HN 0.218 nan 8.210 nan 0.000 0.408 183 F N 0.344 120.253 119.950 -0.069 0.000 2.202 183 F HA -0.240 4.292 4.527 0.008 0.000 0.301 183 F C 2.442 178.206 175.800 -0.061 0.000 1.082 183 F CA 0.743 58.698 58.000 -0.075 0.000 1.313 183 F CB -0.134 38.821 39.000 -0.074 0.000 1.024 183 F HN -0.111 nan 8.300 nan 0.000 0.495 184 V N -0.412 119.582 119.914 0.132 0.000 2.273 184 V HA -0.185 3.940 4.120 0.008 0.000 0.242 184 V C 2.672 178.800 176.094 0.058 0.000 1.035 184 V CA 1.964 64.304 62.300 0.067 0.000 1.013 184 V CB -1.331 30.519 31.823 0.044 0.000 0.652 184 V HN 0.416 nan 8.190 nan 0.000 0.452 185 G N -0.513 108.340 108.800 0.089 0.000 2.475 185 G HA2 -0.236 3.729 3.960 0.008 0.000 0.220 185 G HA3 -0.236 3.729 3.960 0.008 0.000 0.220 185 G C 1.614 176.629 174.900 0.193 0.000 1.125 185 G CA 1.310 46.504 45.100 0.156 0.000 0.755 185 G HN 0.626 nan 8.290 nan 0.000 0.565 186 A N -0.475 122.386 122.820 0.069 0.000 1.943 186 A HA 0.479 4.804 4.320 0.008 0.000 0.213 186 A C 2.104 179.518 177.584 -0.282 0.000 1.181 186 A CA 0.796 52.810 52.037 -0.039 0.000 0.653 186 A CB 0.065 19.001 19.000 -0.107 0.000 0.833 186 A HN 0.321 nan 8.150 nan 0.000 0.451 187 L N -1.669 119.377 121.223 -0.295 0.000 2.878 187 L HA 0.279 4.624 4.340 0.008 0.000 0.253 187 L C 1.760 178.579 176.870 -0.085 0.000 1.135 187 L CA 0.036 54.598 54.840 -0.463 0.000 0.943 187 L CB 0.106 41.917 42.059 -0.413 0.000 1.307 187 L HN 0.385 nan 8.230 nan 0.000 0.545 188 G N 1.305 110.107 108.800 0.004 0.000 2.394 188 G HA2 0.040 4.005 3.960 0.008 0.000 0.256 188 G HA3 0.040 4.005 3.960 0.008 0.000 0.256 188 G C -1.752 173.266 174.900 0.197 0.000 1.504 188 G CA -0.147 45.016 45.100 0.105 0.000 1.051 188 G HN -0.041 nan 8.290 nan 0.000 0.550 189 P HA -0.013 nan 4.420 nan 0.000 0.199 189 P C 0.976 178.360 177.300 0.139 0.000 1.118 189 P CA 1.018 64.192 63.100 0.122 0.000 0.913 189 P CB -0.008 31.731 31.700 0.065 0.000 0.738 190 E N 0.403 120.644 120.200 0.068 0.000 2.441 190 E HA 0.168 4.523 4.350 0.008 0.000 0.210 190 E C 0.815 177.406 176.600 -0.014 0.000 1.306 190 E CA -0.442 55.975 56.400 0.028 0.000 1.307 190 E CB -0.909 28.782 29.700 -0.014 0.000 1.297 190 E HN 0.220 nan 8.360 nan 0.000 0.440 191 G N -0.096 108.749 108.800 0.075 0.000 2.559 191 G HA2 -0.119 3.846 3.960 0.008 0.000 0.235 191 G HA3 -0.119 3.846 3.960 0.008 0.000 0.235 191 G C 0.036 174.918 174.900 -0.031 0.000 1.266 191 G CA -0.242 44.843 45.100 -0.025 0.000 0.847 191 G HN 0.241 nan 8.290 nan 0.000 0.583 192 Y N 1.071 121.361 120.300 -0.016 0.000 2.206 192 Y HA -0.025 4.531 4.550 0.009 0.000 0.292 192 Y C 2.612 178.535 175.900 0.039 0.000 1.123 192 Y CA 0.942 59.093 58.100 0.085 0.000 1.142 192 Y CB -0.332 38.163 38.460 0.058 0.000 1.006 192 Y HN 0.449 nan 8.280 nan 0.000 0.518 193 L N -0.847 120.357 121.223 -0.032 0.000 2.081 193 L HA -0.244 4.101 4.340 0.008 0.000 0.212 193 L C 1.705 178.621 176.870 0.076 0.000 1.080 193 L CA 1.790 56.548 54.840 -0.136 0.000 0.754 193 L CB -0.685 41.037 42.059 -0.562 0.000 0.893 193 L HN 0.321 nan 8.230 nan 0.000 0.433 194 W N -0.184 121.181 121.300 0.108 0.000 2.418 194 W HA -0.127 4.538 4.660 0.009 0.000 0.319 194 W C 2.516 179.027 176.519 -0.014 0.000 1.183 194 W CA 0.319 57.682 57.345 0.030 0.000 1.327 194 W CB -0.330 29.123 29.460 -0.010 0.000 1.163 194 W HN -0.122 nan 8.180 nan 0.000 0.479 195 K N -0.136 120.380 120.400 0.194 0.000 2.189 195 K HA -0.273 4.052 4.320 0.008 0.000 0.207 195 K C 1.743 178.197 176.600 -0.243 0.000 1.046 195 K CA 2.063 58.258 56.287 -0.153 0.000 0.928 195 K CB -0.594 31.780 32.500 -0.210 0.000 0.720 195 K HN 0.159 nan 8.250 nan 0.000 0.458 196 F N 0.996 120.940 119.950 -0.010 0.000 2.147 196 F HA -0.105 4.427 4.527 0.009 0.000 0.291 196 F C 1.839 177.667 175.800 0.047 0.000 1.093 196 F CA 0.699 58.741 58.000 0.070 0.000 1.263 196 F CB -0.320 38.784 39.000 0.174 0.000 1.036 196 F HN -0.180 nan 8.300 nan 0.000 0.481 197 L N 1.649 122.878 121.223 0.010 0.000 1.997 197 L HA -0.315 4.030 4.340 0.008 0.000 0.216 197 L C 2.463 179.226 176.870 -0.178 0.000 1.074 197 L CA 2.143 56.926 54.840 -0.094 0.000 0.763 197 L CB -1.860 40.336 42.059 0.227 0.000 0.890 197 L HN 0.425 nan 8.230 nan 0.000 0.434 198 N N -0.912 117.731 118.700 -0.095 0.000 2.120 198 N HA -0.200 4.545 4.740 0.008 0.000 0.188 198 N C 1.990 177.391 175.510 -0.182 0.000 1.024 198 N CA 1.661 54.636 53.050 -0.125 0.000 0.852 198 N CB 0.058 38.483 38.487 -0.103 0.000 1.003 198 N HN 0.304 nan 8.380 nan 0.000 0.424 199 S N 0.302 115.852 115.700 -0.248 0.000 2.400 199 S HA -0.020 4.455 4.470 0.008 0.000 0.232 199 S C 2.123 176.586 174.600 -0.228 0.000 1.025 199 S CA 0.576 58.642 58.200 -0.225 0.000 0.993 199 S CB -0.198 62.878 63.200 -0.206 0.000 0.808 199 S HN 0.371 nan 8.310 nan 0.000 0.478 200 L N 0.627 121.637 121.223 -0.354 0.000 2.027 200 L HA -0.047 4.298 4.340 0.008 0.000 0.206 200 L C 2.304 179.074 176.870 -0.166 0.000 1.074 200 L CA 1.339 56.000 54.840 -0.299 0.000 0.745 200 L CB -0.419 41.396 42.059 -0.406 0.000 0.898 200 L HN 0.378 nan 8.230 nan 0.000 0.433 201 I N -0.690 119.791 120.570 -0.149 0.000 2.127 201 I HA -0.365 3.810 4.170 0.008 0.000 0.241 201 I C 2.523 178.591 176.117 -0.083 0.000 1.075 201 I CA 1.204 62.444 61.300 -0.098 0.000 1.334 201 I CB -0.318 37.628 38.000 -0.090 0.000 1.040 201 I HN 0.313 nan 8.210 nan 0.000 0.405 202 Q N 0.825 120.571 119.800 -0.091 0.000 2.268 202 Q HA -0.185 4.160 4.340 0.008 0.000 0.210 202 Q C 1.504 177.472 176.000 -0.054 0.000 0.988 202 Q CA 1.773 57.535 55.803 -0.069 0.000 0.883 202 Q CB -0.367 28.327 28.738 -0.074 0.000 0.911 202 Q HN 0.668 nan 8.270 nan 0.000 0.430 203 G N -1.486 107.277 108.800 -0.062 0.000 2.159 203 G HA2 -0.218 3.747 3.960 0.008 0.000 0.227 203 G HA3 -0.218 3.747 3.960 0.008 0.000 0.227 203 G C 0.063 174.946 174.900 -0.028 0.000 0.986 203 G CA 0.281 45.355 45.100 -0.042 0.000 0.651 203 G HN 0.802 nan 8.290 nan 0.000 0.523 204 V N -2.450 117.446 119.914 -0.030 0.000 2.572 204 V HA 0.593 4.718 4.120 0.008 0.000 0.274 204 V C -1.853 174.248 176.094 0.013 0.000 1.075 204 V CA -2.236 60.065 62.300 0.000 0.000 1.237 204 V CB 0.764 32.595 31.823 0.013 0.000 1.517 204 V HN 0.022 nan 8.190 nan 0.000 0.616 205 P HA -0.099 nan 4.420 nan 0.000 0.252 205 P C -0.157 177.229 177.300 0.143 0.000 1.136 205 P CA 1.091 64.203 63.100 0.020 0.000 0.778 205 P CB -0.023 31.706 31.700 0.048 0.000 0.722 206 N N 4.040 122.882 118.700 0.236 0.000 2.527 206 N HA 0.116 4.861 4.740 0.008 0.000 0.236 206 N C 0.959 176.741 175.510 0.452 0.000 0.999 206 N CA -0.271 52.990 53.050 0.353 0.000 0.935 206 N CB 0.213 39.011 38.487 0.519 0.000 1.132 206 N HN 0.305 nan 8.380 nan 0.000 0.511 207 I N 2.654 123.392 120.570 0.279 0.000 2.423 207 I HA -0.221 3.954 4.170 0.008 0.000 0.254 207 I C 1.632 177.805 176.117 0.094 0.000 1.151 207 I CA 1.294 62.702 61.300 0.179 0.000 1.421 207 I CB 0.302 38.357 38.000 0.093 0.000 1.079 207 I HN 0.597 nan 8.210 nan 0.000 0.431 208 E N -0.366 119.880 120.200 0.077 0.000 2.204 208 E HA -0.241 4.114 4.350 0.008 0.000 0.195 208 E C 1.792 178.333 176.600 -0.097 0.000 0.990 208 E CA 1.270 57.635 56.400 -0.059 0.000 0.821 208 E CB -0.027 29.586 29.700 -0.144 0.000 0.750 208 E HN 0.614 nan 8.360 nan 0.000 0.477 209 Y N -0.124 120.293 120.300 0.195 0.000 2.243 209 Y HA -0.064 4.492 4.550 0.009 0.000 0.293 209 Y C 2.150 178.107 175.900 0.094 0.000 1.124 209 Y CA 0.828 59.107 58.100 0.298 0.000 1.159 209 Y CB 0.064 38.771 38.460 0.413 0.000 1.008 209 Y HN 0.080 nan 8.280 nan 0.000 0.527 210 I N -0.588 119.976 120.570 -0.010 0.000 2.617 210 I HA -0.123 4.052 4.170 0.008 0.000 0.256 210 I C 2.294 178.238 176.117 -0.289 0.000 1.167 210 I CA 0.962 62.014 61.300 -0.413 0.000 1.469 210 I CB -0.294 37.019 38.000 -1.145 0.000 1.098 210 I HN 0.187 nan 8.210 nan 0.000 0.436 211 A N 3.081 125.779 122.820 -0.205 0.000 1.859 211 A HA -0.222 4.103 4.320 0.008 0.000 0.218 211 A C 0.107 177.566 177.584 -0.209 0.000 1.242 211 A CA 2.585 54.517 52.037 -0.176 0.000 0.661 211 A CB -2.516 16.408 19.000 -0.127 0.000 0.842 211 A HN 0.427 nan 8.150 nan 0.000 0.455 212 P HA -0.186 nan 4.420 nan 0.000 0.218 212 P C 1.602 178.738 177.300 -0.274 0.000 1.146 212 P CA 1.494 64.410 63.100 -0.307 0.000 0.820 212 P CB -0.221 31.178 31.700 -0.501 0.000 0.778 213 I N -0.592 119.807 120.570 -0.284 0.000 2.202 213 I HA -0.222 3.953 4.170 0.008 0.000 0.242 213 I C 2.602 178.625 176.117 -0.157 0.000 1.091 213 I CA 1.262 62.437 61.300 -0.208 0.000 1.368 213 I CB -0.384 37.497 38.000 -0.199 0.000 1.058 213 I HN -0.161 nan 8.210 nan 0.000 0.410 214 I N 0.410 120.885 120.570 -0.158 0.000 2.127 214 I HA -0.246 3.930 4.170 0.008 0.000 0.241 214 I C 2.703 178.768 176.117 -0.086 0.000 1.075 214 I CA 1.674 62.906 61.300 -0.114 0.000 1.334 214 I CB -1.271 36.661 38.000 -0.114 0.000 1.040 214 I HN 0.258 nan 8.210 nan 0.000 0.405 215 G N 0.441 109.181 108.800 -0.099 0.000 2.545 215 G HA2 -0.298 3.667 3.960 0.008 0.000 0.222 215 G HA3 -0.298 3.667 3.960 0.008 0.000 0.222 215 G C 1.637 176.497 174.900 -0.067 0.000 1.126 215 G CA 1.866 46.918 45.100 -0.079 0.000 0.754 215 G HN 0.356 nan 8.290 nan 0.000 0.583 216 T N 1.226 115.733 114.554 -0.079 0.000 2.668 216 T HA -0.024 4.332 4.350 0.008 0.000 0.262 216 T C 2.405 177.118 174.700 0.022 0.000 1.045 216 T CA 1.052 63.122 62.100 -0.049 0.000 1.152 216 T CB -0.213 68.611 68.868 -0.074 0.000 0.864 216 T HN 0.291 nan 8.240 nan 0.000 0.419 217 I N 0.990 121.563 120.570 0.006 0.000 2.113 217 I HA -0.255 3.921 4.170 0.008 0.000 0.242 217 I C 2.314 178.506 176.117 0.125 0.000 1.064 217 I CA 1.567 62.911 61.300 0.073 0.000 1.320 217 I CB -0.661 37.349 38.000 0.016 0.000 1.028 217 I HN 0.221 nan 8.210 nan 0.000 0.406 218 I N 0.042 120.636 120.570 0.041 0.000 2.052 218 I HA -0.338 3.838 4.170 0.008 0.000 0.235 218 I C 2.648 178.771 176.117 0.010 0.000 1.046 218 I CA 1.639 62.949 61.300 0.017 0.000 1.308 218 I CB -0.649 37.342 38.000 -0.016 0.000 1.031 218 I HN 0.039 nan 8.210 nan 0.000 0.395 219 V N 0.786 120.696 119.914 -0.006 0.000 2.250 219 V HA -0.364 3.761 4.120 0.008 0.000 0.250 219 V C 2.306 178.394 176.094 -0.009 0.000 1.060 219 V CA 2.547 64.826 62.300 -0.035 0.000 1.030 219 V CB -0.677 31.114 31.823 -0.052 0.000 0.643 219 V HN 0.425 nan 8.190 nan 0.000 0.445 220 F N 0.193 120.102 119.950 -0.068 0.000 2.065 220 F HA -0.244 4.288 4.527 0.010 0.000 0.298 220 F C 2.080 177.862 175.800 -0.030 0.000 1.112 220 F CA 2.114 60.083 58.000 -0.051 0.000 1.212 220 F CB -0.546 38.430 39.000 -0.041 0.000 0.975 220 F HN 0.073 nan 8.300 nan 0.000 0.476 221 L N -0.257 120.889 121.223 -0.129 0.000 2.043 221 L HA -0.305 4.040 4.340 0.008 0.000 0.212 221 L C 2.732 179.490 176.870 -0.186 0.000 1.075 221 L CA 1.996 56.717 54.840 -0.198 0.000 0.752 221 L CB -0.745 41.320 42.059 0.010 0.000 0.891 221 L HN 0.398 nan 8.230 nan 0.000 0.432 222 M N -0.168 119.359 119.600 -0.121 0.000 2.066 222 M HA -0.208 4.277 4.480 0.008 0.000 0.259 222 M C 2.342 178.575 176.300 -0.112 0.000 1.074 222 M CA 2.064 57.307 55.300 -0.096 0.000 1.114 222 M CB -0.151 32.381 32.600 -0.113 0.000 1.306 222 M HN 0.027 nan 8.290 nan 0.000 0.411 223 V N 0.448 120.260 119.914 -0.170 0.000 2.313 223 V HA -0.316 3.809 4.120 0.008 0.000 0.253 223 V C 2.413 178.397 176.094 -0.184 0.000 1.070 223 V CA 2.018 64.215 62.300 -0.172 0.000 1.057 223 V CB -1.215 30.506 31.823 -0.172 0.000 0.653 223 V HN 0.491 nan 8.190 nan 0.000 0.450 224 V N -1.192 118.523 119.914 -0.332 0.000 2.237 224 V HA -0.319 3.806 4.120 0.008 0.000 0.245 224 V C 2.121 178.130 176.094 -0.142 0.000 1.046 224 V CA 2.544 64.641 62.300 -0.338 0.000 1.007 224 V CB -0.810 30.678 31.823 -0.558 0.000 0.638 224 V HN 0.605 nan 8.190 nan 0.000 0.445 225 Y N 1.107 121.289 120.300 -0.197 0.000 2.062 225 Y HA -0.413 4.141 4.550 0.007 0.000 0.276 225 Y C 2.429 178.303 175.900 -0.043 0.000 1.189 225 Y CA 2.255 60.293 58.100 -0.103 0.000 1.130 225 Y CB -0.369 38.050 38.460 -0.069 0.000 0.959 225 Y HN 0.213 nan 8.280 nan 0.000 0.499 226 A N -0.158 122.867 122.820 0.343 0.000 1.933 226 A HA -0.219 4.106 4.320 0.008 0.000 0.218 226 A C 2.096 179.801 177.584 0.202 0.000 1.175 226 A CA 1.779 54.018 52.037 0.337 0.000 0.628 226 A CB -0.685 18.500 19.000 0.309 0.000 0.814 226 A HN 0.557 nan 8.150 nan 0.000 0.444 227 E N -0.310 119.925 120.200 0.057 0.000 2.268 227 E HA -0.127 4.228 4.350 0.008 0.000 0.195 227 E C 1.768 178.336 176.600 -0.052 0.000 0.995 227 E CA 1.031 57.422 56.400 -0.015 0.000 0.836 227 E CB -0.364 29.270 29.700 -0.110 0.000 0.763 227 E HN 0.672 nan 8.360 nan 0.000 0.491 228 C N 0.004 119.262 119.300 -0.071 0.000 2.495 228 C HA 0.182 4.647 4.460 0.008 0.000 0.275 228 C C 1.338 176.311 174.990 -0.028 0.000 1.392 228 C CA -0.403 58.545 59.018 -0.116 0.000 1.766 228 C CB -0.811 26.798 27.740 -0.218 0.000 1.933 228 C HN 0.275 nan 8.230 nan 0.000 0.519 229 M N 1.273 120.910 119.600 0.061 0.000 2.249 229 M HA 0.199 4.684 4.480 0.008 0.000 0.340 229 M C 0.257 176.636 176.300 0.132 0.000 1.166 229 M CA 1.446 56.805 55.300 0.099 0.000 1.115 229 M CB 0.194 32.899 32.600 0.176 0.000 1.606 229 M HN 0.288 nan 8.290 nan 0.000 0.448 230 R N 1.037 121.581 120.500 0.073 0.000 2.774 230 R HA 0.611 4.956 4.340 0.008 0.000 0.272 230 R C -1.611 174.693 176.300 0.006 0.000 1.000 230 R CA -0.945 55.206 56.100 0.086 0.000 0.906 230 R CB 2.295 32.643 30.300 0.079 0.000 1.227 230 R HN 0.449 nan 8.270 nan 0.000 0.468 231 V N 2.519 122.440 119.914 0.011 0.000 2.304 231 V HA 0.155 4.280 4.120 0.008 0.000 0.262 231 V C -0.072 176.012 176.094 -0.018 0.000 1.061 231 V CA -0.328 61.929 62.300 -0.071 0.000 0.872 231 V CB 0.720 32.471 31.823 -0.120 0.000 1.077 231 V HN 0.628 nan 8.190 nan 0.000 0.480 232 E N 4.852 125.038 120.200 -0.024 0.000 2.259 232 E HA 0.335 4.690 4.350 0.008 0.000 0.281 232 E C -0.719 175.863 176.600 -0.031 0.000 1.037 232 E CA -0.366 56.041 56.400 0.011 0.000 0.854 232 E CB 1.219 30.921 29.700 0.004 0.000 1.051 232 E HN 0.378 nan 8.360 nan 0.000 0.409 233 I N 5.636 126.205 120.570 -0.002 0.000 2.390 233 I HA 0.247 4.422 4.170 0.008 0.000 0.283 233 I C -2.330 173.781 176.117 -0.009 0.000 1.016 233 I CA -3.062 58.200 61.300 -0.062 0.000 1.151 233 I CB 0.786 38.700 38.000 -0.144 0.000 1.293 233 I HN 0.169 nan 8.210 nan 0.000 0.458 234 P HA 0.193 nan 4.420 nan 0.000 0.265 234 P C -0.531 176.766 177.300 -0.004 0.000 1.187 234 P CA 0.184 63.283 63.100 -0.002 0.000 0.766 234 P CB 0.708 32.399 31.700 -0.015 0.000 0.820 235 L N 1.367 122.593 121.223 0.005 0.000 2.323 235 L HA 0.721 5.066 4.340 0.008 0.000 0.265 235 L C 0.217 177.053 176.870 -0.056 0.000 1.012 235 L CA -1.323 53.511 54.840 -0.009 0.000 0.820 235 L CB 1.914 43.990 42.059 0.028 0.000 1.334 235 L HN 0.275 nan 8.230 nan 0.000 0.427 236 A N 0.575 123.329 122.820 -0.111 0.000 2.289 236 A HA 0.365 4.690 4.320 0.008 0.000 0.298 236 A C 0.056 177.448 177.584 -0.320 0.000 1.208 236 A CA -0.551 51.303 52.037 -0.305 0.000 0.845 236 A CB -0.085 18.721 19.000 -0.324 0.000 1.125 236 A HN 0.823 nan 8.150 nan 0.000 0.517 237 H N 0.820 119.901 119.070 0.018 0.000 3.174 237 H HA -0.041 4.520 4.556 0.009 0.000 0.323 237 H C 0.596 175.938 175.328 0.024 0.000 1.022 237 H CA 0.549 56.607 56.048 0.016 0.000 1.322 237 H CB 0.313 30.079 29.762 0.007 0.000 1.229 237 H HN 0.611 nan 8.280 nan 0.000 0.597 238 G N 2.212 111.108 108.800 0.160 0.000 2.807 238 G HA2 0.274 4.239 3.960 0.008 0.000 0.316 238 G HA3 0.274 4.239 3.960 0.008 0.000 0.316 238 G C 0.628 175.602 174.900 0.124 0.000 0.900 238 G CA -0.500 44.665 45.100 0.109 0.000 1.499 238 G HN 0.792 nan 8.290 nan 0.000 0.484 239 R N 0.042 120.644 120.500 0.170 0.000 3.870 239 R HA -0.219 4.126 4.340 0.008 0.000 0.463 239 R C 1.013 177.352 176.300 0.064 0.000 0.790 239 R CA 1.568 57.738 56.100 0.116 0.000 1.576 239 R CB -1.841 28.495 30.300 0.060 0.000 2.233 239 R HN 0.556 nan 8.270 nan 0.000 0.463 240 I N 0.862 121.468 120.570 0.059 0.000 3.545 240 I HA 0.190 4.365 4.170 0.008 0.000 0.207 240 I C 0.369 176.210 176.117 -0.461 0.000 1.437 240 I CA -0.146 61.104 61.300 -0.084 0.000 0.700 240 I CB 0.263 38.255 38.000 -0.013 0.000 1.832 240 I HN -0.041 nan 8.210 nan 0.000 0.908 241 K N -0.263 119.836 120.400 -0.503 0.000 2.542 241 K HA 0.597 4.922 4.320 0.008 0.000 0.259 241 K C -0.794 175.633 176.600 -0.289 0.000 0.932 241 K CA -0.490 55.332 56.287 -0.774 0.000 0.820 241 K CB 2.254 34.516 32.500 -0.397 0.000 1.345 241 K HN 0.940 nan 8.250 nan 0.000 0.432 242 G N 0.621 109.363 108.800 -0.096 0.000 2.525 242 G HA2 0.186 4.151 3.960 0.008 0.000 0.685 242 G HA3 0.186 4.151 3.960 0.008 0.000 0.685 242 G C -1.086 173.910 174.900 0.159 0.000 1.290 242 G CA -0.621 44.509 45.100 0.051 0.000 0.915 242 G HN 0.760 nan 8.290 nan 0.000 0.548 243 A N -0.759 122.107 122.820 0.076 0.000 2.488 243 A HA 0.719 5.044 4.320 0.008 0.000 0.249 243 A C 1.033 178.653 177.584 0.059 0.000 1.083 243 A CA 1.098 53.170 52.037 0.058 0.000 0.768 243 A CB 0.716 19.730 19.000 0.025 0.000 1.017 243 A HN 1.955 nan 8.150 nan 0.000 0.496 244 V N 2.756 122.702 119.914 0.053 0.000 5.433 244 V HA 0.363 4.488 4.120 0.008 0.000 0.113 244 V C 1.703 177.815 176.094 0.031 0.000 0.910 244 V CA 0.356 62.685 62.300 0.047 0.000 1.337 244 V CB -1.173 30.692 31.823 0.071 0.000 2.216 244 V HN 1.119 nan 8.190 nan 0.000 0.473 245 G N 0.039 108.858 108.800 0.031 0.000 2.846 245 G HA2 0.238 4.204 3.960 0.008 0.000 0.257 245 G HA3 0.238 4.204 3.960 0.008 0.000 0.257 245 G C 0.074 174.996 174.900 0.037 0.000 1.253 245 G CA 1.120 46.244 45.100 0.039 0.000 0.918 245 G HN 0.572 nan 8.290 nan 0.000 0.597 246 K N -1.629 118.807 120.400 0.060 0.000 3.496 246 K HA 0.017 4.342 4.320 0.008 0.000 0.135 246 K C -0.802 175.859 176.600 0.101 0.000 1.127 246 K CA -0.559 55.761 56.287 0.055 0.000 0.813 246 K CB -1.086 31.430 32.500 0.026 0.000 0.831 246 K HN 0.485 nan 8.250 nan 0.000 0.389 247 Y N 3.003 123.294 120.300 -0.016 0.000 2.805 247 Y HA 0.164 4.720 4.550 0.011 0.000 0.331 247 Y C -2.426 173.467 175.900 -0.011 0.000 1.241 247 Y CA -0.969 57.126 58.100 -0.009 0.000 1.546 247 Y CB 0.536 38.992 38.460 -0.008 0.000 1.248 247 Y HN 0.168 nan 8.280 nan 0.000 0.559 248 P HA 0.395 nan 4.420 nan 0.000 0.301 248 P C -1.177 176.323 177.300 0.333 0.000 1.350 248 P CA -0.523 62.714 63.100 0.228 0.000 0.941 248 P CB 2.073 33.811 31.700 0.063 0.000 1.128 249 I N -0.965 119.773 120.570 0.279 0.000 2.562 249 I HA 0.515 4.690 4.170 0.008 0.000 0.301 249 I C -0.015 176.234 176.117 0.220 0.000 1.003 249 I CA -1.342 60.123 61.300 0.275 0.000 1.127 249 I CB 2.195 40.312 38.000 0.196 0.000 1.304 249 I HN 0.058 nan 8.210 nan 0.000 0.446 250 K N 3.706 124.245 120.400 0.232 0.000 2.110 250 K HA 0.090 4.415 4.320 0.008 0.000 0.260 250 K C 0.352 177.103 176.600 0.252 0.000 1.126 250 K CA -0.203 56.234 56.287 0.250 0.000 1.005 250 K CB 0.051 32.748 32.500 0.328 0.000 1.336 250 K HN 0.593 nan 8.250 nan 0.000 0.369 251 F N 3.022 123.027 119.950 0.092 0.000 2.250 251 F HA -0.232 4.303 4.527 0.014 0.000 0.301 251 F C 1.389 177.261 175.800 0.120 0.000 1.077 251 F CA 1.495 59.538 58.000 0.071 0.000 1.348 251 F CB 0.055 39.062 39.000 0.011 0.000 1.040 251 F HN 0.202 nan 8.300 nan 0.000 0.509 252 V N -2.143 117.760 119.914 -0.018 0.000 2.521 252 V HA -0.071 4.054 4.120 0.008 0.000 0.239 252 V C 2.178 178.297 176.094 0.042 0.000 1.053 252 V CA 1.049 63.305 62.300 -0.074 0.000 1.073 252 V CB -1.828 30.018 31.823 0.037 0.000 0.746 252 V HN 0.266 nan 8.190 nan 0.000 0.476 253 Y N 2.121 122.421 120.300 -0.000 0.000 2.333 253 Y HA -0.119 4.436 4.550 0.009 0.000 0.290 253 Y C 2.559 178.476 175.900 0.027 0.000 1.144 253 Y CA 1.170 59.282 58.100 0.020 0.000 1.228 253 Y CB -0.547 37.955 38.460 0.071 0.000 0.985 253 Y HN 0.121 nan 8.280 nan 0.000 0.542 254 V N -0.179 119.693 119.914 -0.070 0.000 2.282 254 V HA -0.261 3.864 4.120 0.008 0.000 0.249 254 V C 1.704 177.728 176.094 -0.117 0.000 1.057 254 V CA 2.733 64.971 62.300 -0.104 0.000 1.032 254 V CB -0.821 31.027 31.823 0.041 0.000 0.645 254 V HN 0.444 nan 8.190 nan 0.000 0.447 255 S N 0.700 116.336 115.700 -0.106 0.000 2.685 255 S HA 0.145 4.620 4.470 0.008 0.000 0.240 255 S C 1.275 175.769 174.600 -0.177 0.000 0.967 255 S CA -0.017 58.094 58.200 -0.149 0.000 1.009 255 S CB -0.546 62.587 63.200 -0.112 0.000 0.776 255 S HN 0.680 nan 8.310 nan 0.000 0.467 256 N N 2.454 121.073 118.700 -0.135 0.000 2.048 256 N HA -0.037 4.708 4.740 0.008 0.000 0.193 256 N C 1.615 177.012 175.510 -0.188 0.000 1.061 256 N CA 1.235 54.250 53.050 -0.058 0.000 0.849 256 N CB -0.276 38.334 38.487 0.205 0.000 1.044 256 N HN 0.269 nan 8.380 nan 0.000 0.429 257 I N 2.084 122.489 120.570 -0.275 0.000 2.236 257 I HA -0.200 3.976 4.170 0.008 0.000 0.249 257 I C -1.040 174.762 176.117 -0.524 0.000 1.102 257 I CA 1.379 62.427 61.300 -0.420 0.000 1.365 257 I CB -1.076 36.531 38.000 -0.656 0.000 1.051 257 I HN 0.274 nan 8.210 nan 0.000 0.420 258 P HA -0.175 nan 4.420 nan 0.000 0.212 258 P C 2.181 179.279 177.300 -0.335 0.000 1.178 258 P CA 1.339 64.183 63.100 -0.427 0.000 0.915 258 P CB -0.061 31.448 31.700 -0.317 0.000 0.788 259 V N -0.448 119.302 119.914 -0.273 0.000 2.469 259 V HA -0.235 3.890 4.120 0.008 0.000 0.251 259 V C 2.146 178.073 176.094 -0.279 0.000 1.064 259 V CA 1.594 63.739 62.300 -0.258 0.000 1.066 259 V CB -1.076 30.618 31.823 -0.216 0.000 0.667 259 V HN 0.036 nan 8.190 nan 0.000 0.461 260 I N -0.908 119.505 120.570 -0.261 0.000 2.361 260 I HA -0.246 3.929 4.170 0.008 0.000 0.251 260 I C 2.169 178.117 176.117 -0.282 0.000 1.133 260 I CA 1.444 62.612 61.300 -0.220 0.000 1.413 260 I CB -0.191 37.707 38.000 -0.170 0.000 1.073 260 I HN 0.299 nan 8.210 nan 0.000 0.424 261 L N 0.157 121.124 121.223 -0.425 0.000 2.131 261 L HA -0.099 4.246 4.340 0.008 0.000 0.206 261 L C 2.798 179.164 176.870 -0.839 0.000 1.087 261 L CA 0.911 55.353 54.840 -0.663 0.000 0.767 261 L CB -0.580 40.913 42.059 -0.943 0.000 0.917 261 L HN 0.201 nan 8.230 nan 0.000 0.441 262 A N 0.398 122.801 122.820 -0.696 0.000 1.828 262 A HA -0.176 4.149 4.320 0.008 0.000 0.215 262 A C 2.510 179.906 177.584 -0.312 0.000 1.203 262 A CA 1.719 53.486 52.037 -0.451 0.000 0.614 262 A CB -1.005 17.795 19.000 -0.333 0.000 0.844 262 A HN 0.344 nan 8.150 nan 0.000 0.445 263 A N -0.377 122.231 122.820 -0.352 0.000 2.032 263 A HA 0.093 4.418 4.320 0.008 0.000 0.221 263 A C 2.413 179.956 177.584 -0.069 0.000 1.165 263 A CA 2.257 54.131 52.037 -0.271 0.000 0.645 263 A CB -0.948 17.939 19.000 -0.188 0.000 0.807 263 A HN 1.140 nan 8.150 nan 0.000 0.453 264 A N -0.485 122.272 122.820 -0.105 0.000 1.898 264 A HA -0.014 4.311 4.320 0.008 0.000 0.216 264 A C 2.118 179.730 177.584 0.047 0.000 1.181 264 A CA 1.461 53.476 52.037 -0.036 0.000 0.620 264 A CB -0.475 18.458 19.000 -0.111 0.000 0.819 264 A HN 0.487 nan 8.150 nan 0.000 0.442 265 L N -1.153 120.102 121.223 0.054 0.000 2.017 265 L HA -0.125 4.220 4.340 0.008 0.000 0.208 265 L C 2.269 179.295 176.870 0.261 0.000 1.073 265 L CA 2.149 57.084 54.840 0.159 0.000 0.745 265 L CB -1.216 40.983 42.059 0.234 0.000 0.894 265 L HN 0.399 nan 8.230 nan 0.000 0.432 266 F N 0.535 120.500 119.950 0.025 0.000 2.202 266 F HA -0.145 4.387 4.527 0.008 0.000 0.301 266 F C 2.655 178.514 175.800 0.099 0.000 1.082 266 F CA 1.016 59.063 58.000 0.077 0.000 1.313 266 F CB -1.263 37.800 39.000 0.106 0.000 1.024 266 F HN 0.177 nan 8.300 nan 0.000 0.495 267 A N 0.045 123.038 122.820 0.289 0.000 1.898 267 A HA -0.171 4.154 4.320 0.008 0.000 0.216 267 A C 2.094 179.815 177.584 0.229 0.000 1.181 267 A CA 1.671 53.842 52.037 0.224 0.000 0.620 267 A CB -0.697 18.408 19.000 0.174 0.000 0.819 267 A HN 0.318 nan 8.150 nan 0.000 0.442 268 N N -0.246 118.568 118.700 0.190 0.000 2.550 268 N HA 0.037 4.782 4.740 0.008 0.000 0.186 268 N C 1.425 177.052 175.510 0.195 0.000 1.110 268 N CA 0.730 53.895 53.050 0.192 0.000 0.912 268 N CB -0.114 38.392 38.487 0.031 0.000 0.968 268 N HN 0.588 nan 8.380 nan 0.000 0.448 269 I N 0.602 121.274 120.570 0.171 0.000 2.385 269 I HA -0.138 4.037 4.170 0.008 0.000 0.244 269 I C 2.051 178.327 176.117 0.265 0.000 1.089 269 I CA 0.523 61.925 61.300 0.170 0.000 1.410 269 I CB -0.103 37.932 38.000 0.058 0.000 1.117 269 I HN -0.060 nan 8.210 nan 0.000 0.429 270 Q N 0.532 120.487 119.800 0.258 0.000 2.135 270 Q HA -0.201 4.144 4.340 0.008 0.000 0.204 270 Q C 2.195 178.357 176.000 0.272 0.000 0.981 270 Q CA 1.509 57.502 55.803 0.317 0.000 0.856 270 Q CB -0.575 28.316 28.738 0.254 0.000 0.902 270 Q HN 0.376 nan 8.270 nan 0.000 0.425 271 L N -1.288 120.089 121.223 0.257 0.000 2.131 271 L HA -0.030 4.315 4.340 0.008 0.000 0.206 271 L C 1.568 178.560 176.870 0.204 0.000 1.087 271 L CA 1.427 56.391 54.840 0.207 0.000 0.767 271 L CB -0.457 41.793 42.059 0.318 0.000 0.917 271 L HN 0.141 nan 8.230 nan 0.000 0.441 272 W N -0.419 120.922 121.300 0.069 0.000 2.770 272 W HA 0.219 4.885 4.660 0.009 0.000 0.256 272 W C 2.272 178.813 176.519 0.036 0.000 1.291 272 W CA 0.879 58.258 57.345 0.058 0.000 1.396 272 W CB -0.504 29.003 29.460 0.079 0.000 1.114 272 W HN 0.226 nan 8.180 nan 0.000 0.637 273 G N -0.207 108.742 108.800 0.249 0.000 2.439 273 G HA2 -0.162 3.803 3.960 0.008 0.000 0.212 273 G HA3 -0.162 3.803 3.960 0.008 0.000 0.212 273 G C 1.420 176.154 174.900 -0.277 0.000 1.199 273 G CA 0.644 45.871 45.100 0.210 0.000 0.807 273 G HN 0.085 nan 8.290 nan 0.000 0.537 274 L N 1.469 122.108 121.223 -0.974 0.000 2.042 274 L HA -0.047 4.298 4.340 0.008 0.000 0.210 274 L C 2.985 179.643 176.870 -0.354 0.000 1.076 274 L CA 2.520 56.625 54.840 -1.225 0.000 0.749 274 L CB -1.196 40.321 42.059 -0.904 0.000 0.893 274 L HN 0.296 nan 8.230 nan 0.000 0.432 275 A N 0.220 122.898 122.820 -0.237 0.000 1.834 275 A HA -0.192 4.133 4.320 0.008 0.000 0.216 275 A C 1.832 179.344 177.584 -0.120 0.000 1.203 275 A CA 1.343 53.276 52.037 -0.173 0.000 0.621 275 A CB -0.998 17.855 19.000 -0.245 0.000 0.841 275 A HN 0.456 nan 8.150 nan 0.000 0.446 276 L N -0.475 120.697 121.223 -0.085 0.000 2.912 276 L HA 0.064 4.409 4.340 0.008 0.000 0.246 276 L C 0.945 177.866 176.870 0.085 0.000 1.371 276 L CA 0.180 55.012 54.840 -0.013 0.000 1.196 276 L CB -0.534 41.549 42.059 0.039 0.000 1.596 276 L HN 0.735 nan 8.230 nan 0.000 0.429 277 Y N 0.768 121.010 120.300 -0.097 0.000 3.087 277 Y HA 0.094 4.649 4.550 0.009 0.000 0.227 277 Y C 1.899 177.774 175.900 -0.042 0.000 1.015 277 Y CA -0.095 57.974 58.100 -0.052 0.000 1.399 277 Y CB 0.290 38.678 38.460 -0.119 0.000 1.483 277 Y HN 0.197 nan 8.280 nan 0.000 0.420 278 R N 1.250 121.614 120.500 -0.227 0.000 2.449 278 R HA 0.266 4.611 4.340 0.008 0.000 0.262 278 R C 0.381 176.585 176.300 -0.159 0.000 1.006 278 R CA 0.541 56.468 56.100 -0.288 0.000 1.104 278 R CB -0.133 30.086 30.300 -0.135 0.000 1.206 278 R HN 0.497 nan 8.270 nan 0.000 0.538 279 M N -0.126 119.397 119.600 -0.129 0.000 3.741 279 M HA 0.267 4.752 4.480 0.008 0.000 0.507 279 M C -0.735 175.522 176.300 -0.072 0.000 1.722 279 M CA -0.068 55.177 55.300 -0.091 0.000 0.692 279 M CB 1.376 33.924 32.600 -0.087 0.000 1.492 279 M HN 0.379 nan 8.290 nan 0.000 0.555 280 G N 0.927 109.681 108.800 -0.076 0.000 2.455 280 G HA2 0.260 4.226 3.960 0.008 0.000 0.223 280 G HA3 0.260 4.226 3.960 0.008 0.000 0.223 280 G C -1.744 173.142 174.900 -0.024 0.000 1.226 280 G CA -0.880 44.196 45.100 -0.039 0.000 0.948 280 G HN 0.089 nan 8.290 nan 0.000 0.478 281 I N 1.706 122.287 120.570 0.019 0.000 2.472 281 I HA 0.395 4.570 4.170 0.008 0.000 0.290 281 I C -1.977 174.201 176.117 0.102 0.000 1.016 281 I CA -2.328 59.003 61.300 0.052 0.000 1.348 281 I CB 1.541 39.572 38.000 0.052 0.000 1.417 281 I HN 0.093 nan 8.210 nan 0.000 0.521 282 P HA 0.184 nan 4.420 nan 0.000 0.237 282 P C 0.916 178.250 177.300 0.057 0.000 1.701 282 P CA 0.351 63.563 63.100 0.186 0.000 0.955 282 P CB -0.182 31.654 31.700 0.227 0.000 1.937 283 I N -0.506 120.116 120.570 0.086 0.000 2.099 283 I HA -0.287 3.888 4.170 0.008 0.000 0.239 283 I C 2.029 178.170 176.117 0.041 0.000 1.066 283 I CA 1.725 63.064 61.300 0.065 0.000 1.324 283 I CB -0.437 37.620 38.000 0.095 0.000 1.037 283 I HN 0.160 nan 8.210 nan 0.000 0.401 284 L N -0.402 120.870 121.223 0.082 0.000 2.095 284 L HA 0.197 4.542 4.340 0.008 0.000 0.204 284 L C 1.049 177.908 176.870 -0.018 0.000 1.080 284 L CA 0.671 55.554 54.840 0.071 0.000 0.759 284 L CB -0.607 41.553 42.059 0.167 0.000 0.914 284 L HN 0.421 nan 8.230 nan 0.000 0.439 285 G N -2.186 106.597 108.800 -0.028 0.000 2.338 285 G HA2 0.243 4.208 3.960 0.008 0.000 0.295 285 G HA3 0.243 4.208 3.960 0.008 0.000 0.295 285 G C -1.628 173.103 174.900 -0.281 0.000 1.461 285 G CA -0.804 44.136 45.100 -0.266 0.000 0.817 285 G HN -0.014 nan 8.290 nan 0.000 0.556 286 H N 1.015 119.988 119.070 -0.161 0.000 2.652 286 H HA 0.424 4.985 4.556 0.009 0.000 0.298 286 H C -0.029 175.037 175.328 -0.437 0.000 1.076 286 H CA -0.039 55.886 56.048 -0.205 0.000 1.360 286 H CB 1.058 30.780 29.762 -0.066 0.000 1.421 286 H HN 0.467 nan 8.280 nan 0.000 0.464 287 Y N 1.494 121.336 120.300 -0.764 0.000 2.362 287 Y HA -0.012 4.543 4.550 0.008 0.000 0.258 287 Y C 0.672 176.438 175.900 -0.224 0.000 1.048 287 Y CA -0.051 57.765 58.100 -0.473 0.000 1.070 287 Y CB 0.052 38.177 38.460 -0.559 0.000 1.028 287 Y HN 0.589 nan 8.280 nan 0.000 0.475 288 E N -0.677 119.561 120.200 0.064 0.000 7.199 288 E HA -0.037 4.318 4.350 0.008 0.000 0.263 288 E C 0.308 176.946 176.600 0.063 0.000 1.009 288 E CA 0.475 56.946 56.400 0.118 0.000 1.473 288 E CB -1.446 28.311 29.700 0.095 0.000 0.927 288 E HN 0.893 nan 8.360 nan 0.000 0.276 289 G N 0.734 109.574 108.800 0.067 0.000 2.148 289 G HA2 0.056 4.022 3.960 0.008 0.000 0.203 289 G HA3 0.056 4.022 3.960 0.008 0.000 0.203 289 G C 0.825 175.744 174.900 0.030 0.000 0.993 289 G CA 0.598 45.718 45.100 0.032 0.000 0.661 289 G HN 1.743 nan 8.290 nan 0.000 0.518 290 G N 0.037 108.872 108.800 0.058 0.000 3.597 290 G HA2 -0.049 3.916 3.960 0.008 0.000 0.202 290 G HA3 -0.049 3.916 3.960 0.008 0.000 0.202 290 G C 0.713 175.681 174.900 0.114 0.000 1.702 290 G CA 0.794 45.923 45.100 0.049 0.000 1.354 290 G HN 1.544 nan 8.290 nan 0.000 0.609 291 R N 1.080 121.649 120.500 0.116 0.000 2.519 291 R HA 0.817 5.162 4.340 0.008 0.000 0.244 291 R C 0.320 176.677 176.300 0.095 0.000 1.241 291 R CA 0.027 56.236 56.100 0.182 0.000 1.120 291 R CB 0.522 30.866 30.300 0.073 0.000 1.333 291 R HN 1.159 nan 8.270 nan 0.000 0.587 292 A N 0.435 123.105 122.820 -0.250 0.000 2.301 292 A HA 0.425 4.750 4.320 0.008 0.000 0.298 292 A C 0.169 177.617 177.584 -0.226 0.000 1.185 292 A CA -0.831 50.741 52.037 -0.775 0.000 0.830 292 A CB 0.968 19.209 19.000 -1.265 0.000 1.112 292 A HN 0.479 nan 8.150 nan 0.000 0.508 293 V N 2.060 121.833 119.914 -0.236 0.000 3.085 293 V HA 0.280 4.405 4.120 0.008 0.000 0.345 293 V C -0.410 175.370 176.094 -0.524 0.000 1.397 293 V CA 0.548 62.727 62.300 -0.202 0.000 1.165 293 V CB -0.980 30.739 31.823 -0.173 0.000 1.153 293 V HN 0.983 nan 8.190 nan 0.000 0.495 294 D N -0.972 119.182 120.400 -0.409 0.000 2.842 294 D HA 0.494 5.139 4.640 0.008 0.000 0.248 294 D C -0.254 175.863 176.300 -0.305 0.000 1.140 294 D CA 0.987 54.728 54.000 -0.432 0.000 0.728 294 D CB 1.509 42.153 40.800 -0.260 0.000 1.595 294 D HN 0.489 nan 8.370 nan 0.000 0.450 295 G N 1.233 109.842 108.800 -0.318 0.000 2.655 295 G HA2 -0.166 3.799 3.960 0.008 0.000 0.680 295 G HA3 -0.166 3.799 3.960 0.008 0.000 0.680 295 G C 1.081 175.874 174.900 -0.178 0.000 1.302 295 G CA -0.317 44.628 45.100 -0.258 0.000 0.872 295 G HN 0.678 nan 8.290 nan 0.000 0.540 296 I N 0.871 121.385 120.570 -0.094 0.000 2.113 296 I HA -0.316 3.859 4.170 0.008 0.000 0.242 296 I C 3.341 179.468 176.117 0.017 0.000 1.057 296 I CA 2.744 64.042 61.300 -0.004 0.000 1.314 296 I CB -0.808 37.192 38.000 0.000 0.000 1.022 296 I HN 0.914 nan 8.210 nan 0.000 0.408 297 A N 0.301 123.108 122.820 -0.022 0.000 1.881 297 A HA -0.348 3.977 4.320 0.008 0.000 0.219 297 A C 2.255 179.831 177.584 -0.012 0.000 1.215 297 A CA 2.350 54.372 52.037 -0.026 0.000 0.648 297 A CB -1.401 17.508 19.000 -0.151 0.000 0.832 297 A HN 0.534 nan 8.150 nan 0.000 0.455 298 Y N -0.805 119.376 120.300 -0.198 0.000 2.014 298 Y HA -0.316 4.239 4.550 0.009 0.000 0.272 298 Y C 2.253 178.254 175.900 0.168 0.000 1.164 298 Y CA 2.095 60.107 58.100 -0.147 0.000 1.114 298 Y CB -0.857 37.427 38.460 -0.294 0.000 0.961 298 Y HN 0.455 nan 8.280 nan 0.000 0.489 299 Y N -0.292 120.077 120.300 0.116 0.000 2.736 299 Y HA -0.104 4.451 4.550 0.009 0.000 0.298 299 Y C 0.629 176.638 175.900 0.183 0.000 1.156 299 Y CA 0.003 58.208 58.100 0.175 0.000 1.384 299 Y CB -0.059 38.506 38.460 0.176 0.000 0.976 299 Y HN 0.160 nan 8.280 nan 0.000 0.556 300 L N 0.353 121.747 121.223 0.284 0.000 3.193 300 L HA 0.186 4.531 4.340 0.008 0.000 0.305 300 L C -0.216 176.853 176.870 0.330 0.000 1.299 300 L CA -0.218 54.793 54.840 0.285 0.000 0.904 300 L CB 0.426 42.439 42.059 -0.076 0.000 1.331 300 L HN -0.076 nan 8.230 nan 0.000 0.588 301 S N -1.677 114.153 115.700 0.216 0.000 2.596 301 S HA 0.462 4.937 4.470 0.008 0.000 0.318 301 S C 0.118 174.588 174.600 -0.216 0.000 1.097 301 S CA -0.540 57.692 58.200 0.053 0.000 1.080 301 S CB 1.393 64.569 63.200 -0.040 0.000 0.991 301 S HN 0.152 nan 8.310 nan 0.000 0.471 302 T N 5.112 119.471 114.554 -0.326 0.000 2.905 302 T HA 0.185 4.540 4.350 0.008 0.000 0.299 302 T C -1.816 172.593 174.700 -0.485 0.000 1.024 302 T CA -0.322 61.384 62.100 -0.657 0.000 1.151 302 T CB 0.097 68.708 68.868 -0.429 0.000 0.987 302 T HN 0.514 nan 8.240 nan 0.000 0.535 303 P HA 0.143 nan 4.420 nan 0.000 0.262 303 P C -0.033 177.228 177.300 -0.066 0.000 1.304 303 P CA -0.119 62.867 63.100 -0.190 0.000 0.859 303 P CB -0.055 31.533 31.700 -0.187 0.000 1.310 304 Y N -0.495 119.801 120.300 -0.007 0.000 2.296 304 Y HA 0.557 5.112 4.550 0.008 0.000 0.396 304 Y C 1.595 177.532 175.900 0.062 0.000 1.347 304 Y CA -0.072 58.041 58.100 0.023 0.000 1.875 304 Y CB -0.684 37.781 38.460 0.007 0.000 1.685 304 Y HN 0.030 nan 8.280 nan 0.000 0.642 305 G N -1.191 107.980 108.800 0.619 0.000 3.145 305 G HA2 -0.160 3.805 3.960 0.008 0.000 0.195 305 G HA3 -0.160 3.805 3.960 0.008 0.000 0.195 305 G C 0.102 175.145 174.900 0.238 0.000 2.278 305 G CA 0.206 45.601 45.100 0.492 0.000 1.441 305 G HN 0.644 nan 8.290 nan 0.000 0.452 306 L N 0.920 122.228 121.223 0.141 0.000 2.920 306 L HA 0.563 4.908 4.340 0.008 0.000 0.168 306 L C 1.193 178.063 176.870 0.001 0.000 1.141 306 L CA 1.292 56.151 54.840 0.032 0.000 0.859 306 L CB -0.290 41.781 42.059 0.021 0.000 1.398 306 L HN 0.703 nan 8.230 nan 0.000 0.517 307 S N -0.629 115.080 115.700 0.014 0.000 2.536 307 S HA 0.648 5.123 4.470 0.008 0.000 0.298 307 S C -0.182 174.426 174.600 0.014 0.000 1.083 307 S CA -0.556 57.645 58.200 0.002 0.000 0.995 307 S CB 1.517 64.708 63.200 -0.014 0.000 1.058 307 S HN 0.245 nan 8.310 nan 0.000 0.488 308 S N 1.251 116.956 115.700 0.009 0.000 2.549 308 S HA 0.366 4.841 4.470 0.008 0.000 0.286 308 S C 0.047 174.620 174.600 -0.044 0.000 1.314 308 S CA -0.772 57.423 58.200 -0.009 0.000 1.062 308 S CB 0.029 63.228 63.200 -0.003 0.000 0.865 308 S HN 0.792 nan 8.310 nan 0.000 0.498 309 V N 4.741 124.608 119.914 -0.079 0.000 2.348 309 V HA 0.240 4.365 4.120 0.008 0.000 0.270 309 V C 0.989 177.022 176.094 -0.101 0.000 1.037 309 V CA -0.483 61.775 62.300 -0.069 0.000 0.872 309 V CB 0.065 31.861 31.823 -0.046 0.000 1.002 309 V HN 0.978 nan 8.190 nan 0.000 0.464 310 I N 2.950 123.479 120.570 -0.069 0.000 2.703 310 I HA -0.058 4.117 4.170 0.008 0.000 0.259 310 I C 2.096 178.189 176.117 -0.040 0.000 1.151 310 I CA 0.789 62.049 61.300 -0.067 0.000 1.470 310 I CB -0.036 37.939 38.000 -0.042 0.000 1.112 310 I HN 0.741 nan 8.210 nan 0.000 0.437 311 S N 0.328 116.015 115.700 -0.021 0.000 3.170 311 S HA -0.065 4.410 4.470 0.008 0.000 0.252 311 S C 0.181 174.792 174.600 0.019 0.000 1.047 311 S CA 0.372 58.571 58.200 -0.001 0.000 1.194 311 S CB -0.659 62.542 63.200 0.001 0.000 0.916 311 S HN 0.390 nan 8.310 nan 0.000 0.506 312 D N -0.100 120.311 120.400 0.018 0.000 4.239 312 D HA 0.133 4.778 4.640 0.008 0.000 0.242 312 D C -2.459 173.864 176.300 0.039 0.000 1.453 312 D CA -0.622 53.417 54.000 0.065 0.000 0.841 312 D CB 0.739 41.613 40.800 0.125 0.000 1.362 312 D HN 0.098 nan 8.370 nan 0.000 0.855 313 P HA -0.208 nan 4.420 nan 0.000 0.217 313 P C 1.821 179.111 177.300 -0.017 0.000 1.162 313 P CA 1.255 64.338 63.100 -0.027 0.000 0.901 313 P CB 0.152 31.846 31.700 -0.011 0.000 0.793 314 I N -2.200 118.376 120.570 0.010 0.000 2.151 314 I HA -0.284 3.891 4.170 0.008 0.000 0.243 314 I C 2.387 178.481 176.117 -0.039 0.000 1.080 314 I CA 1.899 63.190 61.300 -0.014 0.000 1.339 314 I CB -2.192 35.809 38.000 0.001 0.000 1.039 314 I HN -0.014 nan 8.210 nan 0.000 0.409 315 H N 1.496 120.511 119.070 -0.092 0.000 2.289 315 H HA -0.162 4.400 4.556 0.009 0.000 0.294 315 H C 2.158 177.434 175.328 -0.085 0.000 1.095 315 H CA 1.980 57.958 56.048 -0.116 0.000 1.256 315 H CB -0.651 29.069 29.762 -0.071 0.000 1.359 315 H HN 0.388 nan 8.280 nan 0.000 0.487 316 A N 0.498 123.189 122.820 -0.216 0.000 1.849 316 A HA -0.185 4.140 4.320 0.008 0.000 0.217 316 A C 2.564 180.176 177.584 0.047 0.000 1.202 316 A CA 2.085 53.983 52.037 -0.231 0.000 0.629 316 A CB -1.134 17.636 19.000 -0.384 0.000 0.834 316 A HN 0.410 nan 8.150 nan 0.000 0.447 317 I N -0.190 120.396 120.570 0.027 0.000 2.074 317 I HA -0.314 3.861 4.170 0.008 0.000 0.238 317 I C 2.494 178.641 176.117 0.050 0.000 1.037 317 I CA 1.909 63.245 61.300 0.060 0.000 1.301 317 I CB -0.921 37.086 38.000 0.012 0.000 1.016 317 I HN 0.192 nan 8.210 nan 0.000 0.400 318 V N -0.158 119.740 119.914 -0.026 0.000 2.222 318 V HA -0.405 3.720 4.120 0.008 0.000 0.252 318 V C 2.212 178.345 176.094 0.065 0.000 1.060 318 V CA 2.598 64.874 62.300 -0.039 0.000 1.027 318 V CB -1.191 30.514 31.823 -0.197 0.000 0.644 318 V HN 0.466 nan 8.190 nan 0.000 0.448 319 Y N 0.141 120.421 120.300 -0.033 0.000 1.993 319 Y HA -0.418 4.138 4.550 0.009 0.000 0.267 319 Y C 2.712 178.681 175.900 0.115 0.000 1.155 319 Y CA 2.653 60.791 58.100 0.065 0.000 1.105 319 Y CB -0.590 37.853 38.460 -0.027 0.000 0.960 319 Y HN 0.205 nan 8.280 nan 0.000 0.486 320 M N -0.107 119.570 119.600 0.129 0.000 2.113 320 M HA -0.314 4.171 4.480 0.008 0.000 0.255 320 M C 2.040 178.310 176.300 -0.051 0.000 1.073 320 M CA 2.664 57.966 55.300 0.003 0.000 1.091 320 M CB -0.499 32.215 32.600 0.190 0.000 1.309 320 M HN 0.469 nan 8.290 nan 0.000 0.407 321 I N -0.169 120.405 120.570 0.007 0.000 2.226 321 I HA -0.244 3.931 4.170 0.008 0.000 0.245 321 I C 2.627 178.742 176.117 -0.003 0.000 1.100 321 I CA 1.186 62.486 61.300 -0.001 0.000 1.374 321 I CB -1.045 36.961 38.000 0.010 0.000 1.057 321 I HN 0.440 nan 8.210 nan 0.000 0.413 322 A N 0.699 123.525 122.820 0.012 0.000 1.908 322 A HA -0.281 4.044 4.320 0.008 0.000 0.218 322 A C 2.300 179.978 177.584 0.155 0.000 1.181 322 A CA 2.117 54.201 52.037 0.077 0.000 0.627 322 A CB -0.577 18.491 19.000 0.113 0.000 0.818 322 A HN 0.379 nan 8.150 nan 0.000 0.445 323 M N -0.032 119.539 119.600 -0.049 0.000 2.064 323 M HA -0.055 4.430 4.480 0.008 0.000 0.260 323 M C 1.779 178.005 176.300 -0.123 0.000 1.073 323 M CA 1.509 56.659 55.300 -0.251 0.000 1.124 323 M CB -0.507 31.690 32.600 -0.671 0.000 1.326 323 M HN 0.318 nan 8.290 nan 0.000 0.410 324 I N 1.145 121.653 120.570 -0.103 0.000 2.091 324 I HA -0.343 3.832 4.170 0.008 0.000 0.240 324 I C 2.576 178.690 176.117 -0.005 0.000 1.046 324 I CA 2.449 63.724 61.300 -0.042 0.000 1.306 324 I CB -1.753 36.234 38.000 -0.021 0.000 1.018 324 I HN 0.582 nan 8.210 nan 0.000 0.404 325 I N -0.984 119.593 120.570 0.012 0.000 2.264 325 I HA -0.253 3.922 4.170 0.008 0.000 0.248 325 I C 2.343 178.485 176.117 0.041 0.000 1.111 325 I CA 1.962 63.278 61.300 0.027 0.000 1.382 325 I CB -1.093 36.924 38.000 0.028 0.000 1.060 325 I HN 0.086 nan 8.210 nan 0.000 0.418 326 T N 0.255 114.861 114.554 0.086 0.000 2.867 326 T HA -0.093 4.262 4.350 0.008 0.000 0.268 326 T C 2.029 176.830 174.700 0.169 0.000 1.057 326 T CA 1.592 63.789 62.100 0.161 0.000 1.136 326 T CB -0.626 68.442 68.868 0.335 0.000 0.874 326 T HN 0.511 nan 8.240 nan 0.000 0.466 327 C N 1.003 120.339 119.300 0.060 0.000 2.476 327 C HA 0.027 4.492 4.460 0.008 0.000 0.278 327 C C 2.873 177.896 174.990 0.056 0.000 1.274 327 C CA 0.041 59.075 59.018 0.028 0.000 1.713 327 C CB -1.098 26.608 27.740 -0.057 0.000 2.039 327 C HN 0.359 nan 8.230 nan 0.000 0.484 328 V N 0.997 120.937 119.914 0.043 0.000 2.392 328 V HA -0.347 3.778 4.120 0.008 0.000 0.249 328 V C 2.356 178.483 176.094 0.054 0.000 1.059 328 V CA 2.325 64.659 62.300 0.057 0.000 1.051 328 V CB -0.745 31.109 31.823 0.052 0.000 0.658 328 V HN 0.609 nan 8.190 nan 0.000 0.455 329 M N -0.460 119.129 119.600 -0.018 0.000 2.126 329 M HA -0.220 4.265 4.480 0.008 0.000 0.259 329 M C 2.140 178.217 176.300 -0.371 0.000 1.073 329 M CA 2.340 57.496 55.300 -0.240 0.000 1.103 329 M CB -0.345 31.987 32.600 -0.448 0.000 1.284 329 M HN 0.288 nan 8.290 nan 0.000 0.420 330 F N 0.298 120.068 119.950 -0.301 0.000 2.287 330 F HA -0.117 4.415 4.527 0.008 0.000 0.301 330 F C 2.344 178.182 175.800 0.063 0.000 1.069 330 F CA 1.363 59.262 58.000 -0.169 0.000 1.372 330 F CB -1.179 37.732 39.000 -0.149 0.000 1.056 330 F HN 0.348 nan 8.300 nan 0.000 0.523 331 G N 0.492 109.417 108.800 0.209 0.000 2.414 331 G HA2 -0.190 3.775 3.960 0.008 0.000 0.215 331 G HA3 -0.190 3.775 3.960 0.008 0.000 0.215 331 G C 1.706 176.801 174.900 0.325 0.000 1.188 331 G CA 0.961 46.198 45.100 0.228 0.000 0.783 331 G HN 0.362 nan 8.290 nan 0.000 0.537 332 I N 0.034 120.782 120.570 0.296 0.000 2.264 332 I HA -0.129 4.046 4.170 0.008 0.000 0.248 332 I C 2.185 178.528 176.117 0.378 0.000 1.111 332 I CA 0.810 62.295 61.300 0.308 0.000 1.382 332 I CB -0.355 37.831 38.000 0.310 0.000 1.060 332 I HN -0.009 nan 8.210 nan 0.000 0.418 333 F N -0.471 119.533 119.950 0.090 0.000 2.699 333 F HA -0.141 4.391 4.527 0.007 0.000 0.298 333 F C 2.020 177.943 175.800 0.204 0.000 1.154 333 F CA 0.455 58.504 58.000 0.082 0.000 1.457 333 F CB -0.739 38.265 39.000 0.006 0.000 1.106 333 F HN 0.288 nan 8.300 nan 0.000 0.585 334 W N -0.560 120.863 121.300 0.205 0.000 3.077 334 W HA 0.055 4.719 4.660 0.007 0.000 0.266 334 W C 1.221 177.771 176.519 0.052 0.000 1.300 334 W CA 0.522 57.940 57.345 0.122 0.000 1.586 334 W CB 0.431 29.963 29.460 0.120 0.000 1.103 334 W HN -0.229 nan 8.180 nan 0.000 0.652 335 V N 0.536 120.540 119.914 0.151 0.000 2.300 335 V HA -0.209 3.916 4.120 0.008 0.000 0.241 335 V C 1.830 177.878 176.094 -0.076 0.000 1.034 335 V CA 1.913 64.225 62.300 0.020 0.000 1.021 335 V CB -0.889 30.975 31.823 0.067 0.000 0.662 335 V HN -0.151 nan 8.190 nan 0.000 0.458 336 E N -0.035 120.117 120.200 -0.079 0.000 2.130 336 E HA -0.149 4.206 4.350 0.008 0.000 0.196 336 E C 1.379 177.857 176.600 -0.203 0.000 0.998 336 E CA 1.451 57.765 56.400 -0.144 0.000 0.806 336 E CB -0.189 29.398 29.700 -0.187 0.000 0.738 336 E HN 0.591 nan 8.360 nan 0.000 0.459 337 T N -1.978 112.434 114.554 -0.237 0.000 2.884 337 T HA 0.186 4.541 4.350 0.008 0.000 0.277 337 T C 1.039 175.478 174.700 -0.436 0.000 0.976 337 T CA 0.028 61.900 62.100 -0.380 0.000 0.956 337 T CB 0.691 69.274 68.868 -0.474 0.000 1.113 337 T HN 0.156 nan 8.240 nan 0.000 0.554 338 T N 1.569 115.819 114.554 -0.507 0.000 1.696 338 T HA -0.243 4.112 4.350 0.008 0.000 0.110 338 T C 1.356 175.730 174.700 -0.543 0.000 1.926 338 T CA 2.171 63.950 62.100 -0.535 0.000 0.857 338 T CB -1.922 66.509 68.868 -0.728 0.000 0.808 338 T HN 1.705 nan 8.240 nan 0.000 0.389 339 G N 1.126 109.392 108.800 -0.891 0.000 2.595 339 G HA2 -0.157 3.808 3.960 0.008 0.000 0.382 339 G HA3 -0.157 3.808 3.960 0.008 0.000 0.382 339 G C -0.497 174.261 174.900 -0.236 0.000 1.327 339 G CA 0.076 44.829 45.100 -0.578 0.000 0.916 339 G HN 0.978 nan 8.290 nan 0.000 0.547 340 L N 1.586 122.751 121.223 -0.097 0.000 2.433 340 L HA 0.325 4.670 4.340 0.008 0.000 0.284 340 L C 0.375 177.210 176.870 -0.059 0.000 1.120 340 L CA -0.071 54.740 54.840 -0.048 0.000 0.879 340 L CB 0.477 42.537 42.059 0.002 0.000 1.232 340 L HN 0.594 nan 8.230 nan 0.000 0.454 341 D N 3.510 123.866 120.400 -0.073 0.000 2.396 341 D HA 0.258 4.903 4.640 0.008 0.000 0.225 341 D C -2.160 174.114 176.300 -0.044 0.000 1.121 341 D CA -2.265 51.693 54.000 -0.069 0.000 0.853 341 D CB 1.640 42.385 40.800 -0.092 0.000 1.043 341 D HN 0.137 nan 8.370 nan 0.000 0.500 342 P HA -0.215 nan 4.420 nan 0.000 0.216 342 P C 1.181 178.468 177.300 -0.022 0.000 1.153 342 P CA 1.639 64.727 63.100 -0.020 0.000 0.858 342 P CB 0.248 31.943 31.700 -0.009 0.000 0.789 343 K N -0.206 120.176 120.400 -0.029 0.000 2.049 343 K HA -0.188 4.137 4.320 0.008 0.000 0.219 343 K C 2.116 178.701 176.600 -0.025 0.000 1.056 343 K CA 2.378 58.647 56.287 -0.030 0.000 0.946 343 K CB -1.131 31.346 32.500 -0.038 0.000 0.723 343 K HN 0.206 nan 8.250 nan 0.000 0.453 344 S N 0.941 116.625 115.700 -0.027 0.000 2.428 344 S HA -0.020 4.455 4.470 0.008 0.000 0.230 344 S C 1.955 176.548 174.600 -0.012 0.000 1.014 344 S CA 1.022 59.210 58.200 -0.020 0.000 0.957 344 S CB -0.171 63.015 63.200 -0.023 0.000 0.784 344 S HN 0.212 nan 8.310 nan 0.000 0.499 345 M N 1.634 121.225 119.600 -0.015 0.000 2.175 345 M HA -0.034 4.451 4.480 0.008 0.000 0.264 345 M C 2.620 178.915 176.300 -0.010 0.000 1.063 345 M CA 1.130 56.423 55.300 -0.012 0.000 1.119 345 M CB -0.863 31.723 32.600 -0.022 0.000 1.377 345 M HN 0.442 nan 8.290 nan 0.000 0.415 346 A N 1.296 124.110 122.820 -0.011 0.000 1.877 346 A HA -0.310 4.015 4.320 0.008 0.000 0.218 346 A C 2.126 179.707 177.584 -0.005 0.000 1.301 346 A CA 2.640 54.671 52.037 -0.009 0.000 0.699 346 A CB -0.971 18.021 19.000 -0.012 0.000 0.844 346 A HN 0.487 nan 8.150 nan 0.000 0.464 347 K N -0.918 119.479 120.400 -0.005 0.000 2.296 347 K HA 0.004 4.329 4.320 0.008 0.000 0.200 347 K C 2.173 178.775 176.600 0.004 0.000 1.048 347 K CA 0.679 56.965 56.287 -0.002 0.000 0.966 347 K CB -0.078 32.419 32.500 -0.004 0.000 0.754 347 K HN 0.444 nan 8.250 nan 0.000 0.466 348 R N 0.271 120.774 120.500 0.006 0.000 2.189 348 R HA -0.010 4.335 4.340 0.008 0.000 0.223 348 R C 1.766 178.079 176.300 0.022 0.000 1.092 348 R CA 0.747 56.856 56.100 0.016 0.000 0.989 348 R CB 0.066 30.378 30.300 0.021 0.000 0.876 348 R HN 0.216 nan 8.270 nan 0.000 0.457 349 I N -1.272 119.306 120.570 0.014 0.000 2.867 349 I HA 0.024 4.199 4.170 0.008 0.000 0.265 349 I C 2.201 178.326 176.117 0.014 0.000 1.162 349 I CA 0.849 62.157 61.300 0.015 0.000 1.471 349 I CB -0.986 37.014 38.000 -0.000 0.000 1.123 349 I HN 0.184 nan 8.210 nan 0.000 0.440 350 G N 1.483 110.289 108.800 0.009 0.000 2.394 350 G HA2 -0.226 3.740 3.960 0.008 0.000 0.214 350 G HA3 -0.226 3.740 3.960 0.008 0.000 0.214 350 G C 1.816 176.723 174.900 0.012 0.000 1.176 350 G CA 1.179 46.284 45.100 0.009 0.000 0.786 350 G HN 0.476 nan 8.290 nan 0.000 0.533 351 S N 1.013 116.720 115.700 0.011 0.000 2.368 351 S HA -0.158 4.317 4.470 0.008 0.000 0.226 351 S C 2.318 176.927 174.600 0.015 0.000 1.044 351 S CA 1.585 59.791 58.200 0.011 0.000 1.062 351 S CB -0.615 62.590 63.200 0.009 0.000 0.931 351 S HN 0.244 nan 8.310 nan 0.000 0.440 352 L N 1.272 122.506 121.223 0.020 0.000 2.291 352 L HA 0.184 4.529 4.340 0.008 0.000 0.214 352 L C 1.855 178.742 176.870 0.028 0.000 1.120 352 L CA 0.477 55.331 54.840 0.024 0.000 0.799 352 L CB -1.044 41.033 42.059 0.030 0.000 0.925 352 L HN 0.694 nan 8.230 nan 0.000 0.446 353 G N 0.729 109.544 108.800 0.025 0.000 2.272 353 G HA2 -0.312 3.653 3.960 0.008 0.000 0.280 353 G HA3 -0.312 3.653 3.960 0.008 0.000 0.280 353 G C 0.187 175.102 174.900 0.026 0.000 1.067 353 G CA -0.003 45.114 45.100 0.027 0.000 0.902 353 G HN 0.277 nan 8.290 nan 0.000 0.500 354 M N 1.008 120.619 119.600 0.018 0.000 2.385 354 M HA 0.521 5.006 4.480 0.008 0.000 0.346 354 M C 0.817 177.115 176.300 -0.004 0.000 1.180 354 M CA -0.114 55.188 55.300 0.003 0.000 1.154 354 M CB 1.012 33.623 32.600 0.019 0.000 1.251 354 M HN 0.476 nan 8.290 nan 0.000 0.430 355 A N 3.120 125.936 122.820 -0.007 0.000 2.327 355 A HA 0.501 4.826 4.320 0.008 0.000 0.255 355 A C 0.627 178.214 177.584 0.006 0.000 1.099 355 A CA -0.530 51.516 52.037 0.014 0.000 0.801 355 A CB 0.434 19.466 19.000 0.053 0.000 1.062 355 A HN 0.646 nan 8.150 nan 0.000 0.496 356 I N -0.300 120.288 120.570 0.029 0.000 3.466 356 I HA -0.071 4.104 4.170 0.008 0.000 0.272 356 I C 1.661 177.788 176.117 0.016 0.000 1.305 356 I CA 0.672 61.988 61.300 0.027 0.000 1.307 356 I CB -0.033 38.005 38.000 0.064 0.000 1.365 356 I HN 0.920 nan 8.210 nan 0.000 0.629 357 K N 1.865 122.267 120.400 0.003 0.000 2.243 357 K HA 0.023 4.348 4.320 0.008 0.000 0.201 357 K C 1.657 178.254 176.600 -0.006 0.000 1.051 357 K CA 1.248 57.521 56.287 -0.023 0.000 0.970 357 K CB -0.544 31.943 32.500 -0.022 0.000 0.755 357 K HN 0.726 nan 8.250 nan 0.000 0.465 358 G N -0.138 108.691 108.800 0.049 0.000 2.524 358 G HA2 -0.015 3.950 3.960 0.008 0.000 0.215 358 G HA3 -0.015 3.950 3.960 0.008 0.000 0.215 358 G C 0.336 175.340 174.900 0.172 0.000 1.239 358 G CA 0.830 45.981 45.100 0.086 0.000 0.798 358 G HN 0.379 nan 8.290 nan 0.000 0.557 359 F N -3.179 116.764 119.950 -0.012 0.000 3.180 359 F HA 0.301 4.822 4.527 -0.010 0.000 0.332 359 F C -0.964 174.826 175.800 -0.016 0.000 1.054 359 F CA -1.266 56.724 58.000 -0.018 0.000 0.840 359 F CB 0.483 39.477 39.000 -0.011 0.000 1.788 359 F HN 0.063 nan 8.300 nan 0.000 0.435 360 R N 2.081 122.485 120.500 -0.161 0.000 2.794 360 R HA -0.090 4.255 4.340 0.008 0.000 0.283 360 R C -0.901 175.335 176.300 -0.107 0.000 1.022 360 R CA 0.432 56.361 56.100 -0.284 0.000 0.644 360 R CB -1.779 28.437 30.300 -0.139 0.000 1.453 360 R HN 0.670 nan 8.270 nan 0.000 0.387 361 K N 0.001 120.348 120.400 -0.088 0.000 2.668 361 K HA 0.113 4.438 4.320 0.008 0.000 0.204 361 K C 0.129 176.710 176.600 -0.032 0.000 1.016 361 K CA 0.203 56.487 56.287 -0.004 0.000 1.131 361 K CB 0.374 32.910 32.500 0.060 0.000 0.891 361 K HN 0.169 nan 8.250 nan 0.000 0.499 362 S N 0.850 116.512 115.700 -0.064 0.000 2.489 362 S HA 0.098 4.573 4.470 0.008 0.000 0.291 362 S C 0.840 175.421 174.600 -0.032 0.000 1.151 362 S CA -0.684 57.485 58.200 -0.051 0.000 1.082 362 S CB 1.877 65.034 63.200 -0.072 0.000 1.019 362 S HN 0.201 nan 8.310 nan 0.000 0.492 363 E N 2.999 123.185 120.200 -0.024 0.000 2.028 363 E HA -0.212 4.143 4.350 0.008 0.000 0.217 363 E C 1.514 178.104 176.600 -0.017 0.000 1.039 363 E CA 1.845 58.235 56.400 -0.018 0.000 0.882 363 E CB -0.056 29.633 29.700 -0.018 0.000 0.794 363 E HN 0.580 nan 8.360 nan 0.000 0.488 364 K N -0.198 120.187 120.400 -0.025 0.000 2.228 364 K HA -0.242 4.083 4.320 0.008 0.000 0.205 364 K C 1.981 178.579 176.600 -0.002 0.000 1.045 364 K CA 1.028 57.298 56.287 -0.028 0.000 0.931 364 K CB -0.232 32.238 32.500 -0.050 0.000 0.727 364 K HN 0.197 nan 8.250 nan 0.000 0.458 365 A N 1.683 124.498 122.820 -0.009 0.000 1.832 365 A HA -0.142 4.183 4.320 0.008 0.000 0.214 365 A C 2.127 179.725 177.584 0.024 0.000 1.200 365 A CA 1.203 53.243 52.037 0.004 0.000 0.610 365 A CB -0.622 18.346 19.000 -0.054 0.000 0.842 365 A HN 0.131 nan 8.150 nan 0.000 0.444 366 I N -0.476 120.095 120.570 0.002 0.000 2.069 366 I HA -0.349 3.826 4.170 0.008 0.000 0.237 366 I C 2.575 178.707 176.117 0.025 0.000 1.053 366 I CA 2.096 63.401 61.300 0.009 0.000 1.311 366 I CB -0.644 37.358 38.000 0.004 0.000 1.030 366 I HN 0.618 nan 8.210 nan 0.000 0.398 367 E N 0.243 120.457 120.200 0.023 0.000 2.233 367 E HA -0.376 3.979 4.350 0.008 0.000 0.210 367 E C 2.085 178.730 176.600 0.074 0.000 1.046 367 E CA 2.068 58.485 56.400 0.028 0.000 0.844 367 E CB -0.265 29.441 29.700 0.009 0.000 0.741 367 E HN 0.637 nan 8.360 nan 0.000 0.465 368 H N -0.693 118.348 119.070 -0.048 0.000 2.294 368 H HA -0.046 4.520 4.556 0.017 0.000 0.306 368 H C 2.389 177.671 175.328 -0.076 0.000 1.065 368 H CA 1.162 57.173 56.048 -0.061 0.000 1.343 368 H CB 0.084 29.805 29.762 -0.069 0.000 1.396 368 H HN 0.002 nan 8.280 nan 0.000 0.506 369 R N 0.612 121.023 120.500 -0.149 0.000 2.226 369 R HA -0.125 4.220 4.340 0.008 0.000 0.246 369 R C 2.257 178.473 176.300 -0.140 0.000 1.161 369 R CA 1.019 56.956 56.100 -0.271 0.000 0.997 369 R CB -0.239 29.971 30.300 -0.150 0.000 0.870 369 R HN 0.392 nan 8.270 nan 0.000 0.465 370 L N -0.398 120.819 121.223 -0.009 0.000 2.071 370 L HA -0.046 4.299 4.340 0.008 0.000 0.201 370 L C 2.373 179.265 176.870 0.036 0.000 1.076 370 L CA 1.141 56.014 54.840 0.055 0.000 0.755 370 L CB -0.458 41.621 42.059 0.032 0.000 0.915 370 L HN 0.151 nan 8.230 nan 0.000 0.445 371 K N 0.222 120.640 120.400 0.030 0.000 2.442 371 K HA -0.228 4.097 4.320 0.008 0.000 0.200 371 K C 2.129 178.737 176.600 0.014 0.000 1.045 371 K CA 1.037 57.345 56.287 0.036 0.000 0.937 371 K CB 0.101 32.641 32.500 0.066 0.000 0.757 371 K HN 0.195 nan 8.250 nan 0.000 0.474 372 R N -0.909 119.558 120.500 -0.055 0.000 2.062 372 R HA -0.061 4.284 4.340 0.008 0.000 0.218 372 R C 1.622 177.881 176.300 -0.068 0.000 1.161 372 R CA 0.686 56.706 56.100 -0.133 0.000 0.994 372 R CB -0.299 29.790 30.300 -0.352 0.000 0.888 372 R HN 0.091 nan 8.270 nan 0.000 0.442 373 Y N 1.530 121.797 120.300 -0.054 0.000 2.384 373 Y HA -0.148 4.400 4.550 -0.004 0.000 0.289 373 Y C 2.022 177.912 175.900 -0.017 0.000 1.152 373 Y CA 0.897 58.972 58.100 -0.042 0.000 1.258 373 Y CB -0.327 38.101 38.460 -0.054 0.000 0.979 373 Y HN 0.104 nan 8.280 nan 0.000 0.549 374 I N 0.217 120.874 120.570 0.145 0.000 2.032 374 I HA -0.316 3.860 4.170 0.008 0.000 0.228 374 I C -0.218 175.958 176.117 0.097 0.000 1.030 374 I CA 1.430 62.789 61.300 0.099 0.000 1.318 374 I CB -1.737 36.300 38.000 0.063 0.000 1.049 374 I HN 0.082 nan 8.210 nan 0.000 0.387 375 P HA -0.235 nan 4.420 nan 0.000 0.216 375 P C -1.363 175.993 177.300 0.093 0.000 1.151 375 P CA 2.843 65.991 63.100 0.080 0.000 0.953 375 P CB -1.475 30.259 31.700 0.056 0.000 0.789 376 P HA -0.205 nan 4.420 nan 0.000 0.215 376 P C 1.752 179.117 177.300 0.108 0.000 1.163 376 P CA 1.553 64.707 63.100 0.089 0.000 0.894 376 P CB -0.524 31.227 31.700 0.085 0.000 0.791 377 L N 0.084 121.373 121.223 0.110 0.000 1.956 377 L HA -0.175 4.170 4.340 0.008 0.000 0.216 377 L C 2.370 179.352 176.870 0.187 0.000 1.073 377 L CA 2.971 57.885 54.840 0.124 0.000 0.762 377 L CB -1.927 40.191 42.059 0.098 0.000 0.889 377 L HN -0.052 nan 8.230 nan 0.000 0.433 378 T N -0.840 113.809 114.554 0.159 0.000 2.653 378 T HA -0.252 4.103 4.350 0.008 0.000 0.268 378 T C 1.946 176.742 174.700 0.159 0.000 1.035 378 T CA 1.928 64.127 62.100 0.165 0.000 1.154 378 T CB -0.686 68.277 68.868 0.159 0.000 0.862 378 T HN 0.255 nan 8.240 nan 0.000 0.441 379 V N 1.190 121.190 119.914 0.143 0.000 2.295 379 V HA -0.170 3.955 4.120 0.008 0.000 0.246 379 V C 2.526 178.712 176.094 0.153 0.000 1.049 379 V CA 1.557 63.934 62.300 0.129 0.000 1.024 379 V CB -0.434 31.451 31.823 0.104 0.000 0.648 379 V HN 0.422 nan 8.190 nan 0.000 0.447 380 M N -0.452 119.262 119.600 0.190 0.000 2.067 380 M HA -0.132 4.353 4.480 0.008 0.000 0.260 380 M C 2.517 179.043 176.300 0.377 0.000 1.069 380 M CA 2.303 57.756 55.300 0.255 0.000 1.117 380 M CB -1.217 31.516 32.600 0.222 0.000 1.334 380 M HN 0.509 nan 8.290 nan 0.000 0.407 381 S N 0.549 116.509 115.700 0.435 0.000 2.427 381 S HA -0.220 4.255 4.470 0.008 0.000 0.231 381 S C 2.091 176.697 174.600 0.009 0.000 1.045 381 S CA 3.526 61.798 58.200 0.120 0.000 1.154 381 S CB -0.708 62.548 63.200 0.094 0.000 1.093 381 S HN 0.689 nan 8.310 nan 0.000 0.422 382 S N 2.740 118.462 115.700 0.037 0.000 2.368 382 S HA -0.166 4.309 4.470 0.008 0.000 0.226 382 S C 2.221 176.838 174.600 0.029 0.000 1.044 382 S CA 1.873 60.074 58.200 0.001 0.000 1.062 382 S CB -1.625 61.587 63.200 0.019 0.000 0.931 382 S HN 1.006 nan 8.310 nan 0.000 0.440 383 A N 1.603 124.476 122.820 0.088 0.000 1.940 383 A HA -0.110 4.215 4.320 0.008 0.000 0.221 383 A C 1.934 179.610 177.584 0.153 0.000 1.190 383 A CA 2.063 54.159 52.037 0.099 0.000 0.647 383 A CB -1.248 17.822 19.000 0.116 0.000 0.821 383 A HN 0.622 nan 8.150 nan 0.000 0.457 384 F N 0.502 120.482 119.950 0.051 0.000 1.990 384 F HA -0.119 4.415 4.527 0.012 0.000 0.294 384 F C 2.285 178.095 175.800 0.017 0.000 1.177 384 F CA 1.806 59.859 58.000 0.089 0.000 1.167 384 F CB -1.036 37.983 39.000 0.033 0.000 0.971 384 F HN 0.033 nan 8.300 nan 0.000 0.483 385 V N 1.258 121.002 119.914 -0.285 0.000 2.230 385 V HA -0.437 3.688 4.120 0.008 0.000 0.256 385 V C 2.723 178.592 176.094 -0.376 0.000 1.064 385 V CA 2.496 64.547 62.300 -0.416 0.000 1.050 385 V CB -1.882 29.809 31.823 -0.220 0.000 0.666 385 V HN 0.685 nan 8.190 nan 0.000 0.457 386 G N -1.078 107.587 108.800 -0.226 0.000 2.574 386 G HA2 -0.395 3.570 3.960 0.008 0.000 0.220 386 G HA3 -0.395 3.570 3.960 0.008 0.000 0.220 386 G C 1.451 176.213 174.900 -0.230 0.000 1.173 386 G CA 1.468 46.437 45.100 -0.219 0.000 0.772 386 G HN 0.520 nan 8.290 nan 0.000 0.585 387 F N 1.428 121.194 119.950 -0.305 0.000 2.043 387 F HA -0.127 4.405 4.527 0.009 0.000 0.297 387 F C 2.345 177.910 175.800 -0.391 0.000 1.121 387 F CA 1.785 59.603 58.000 -0.304 0.000 1.199 387 F CB -0.950 37.921 39.000 -0.215 0.000 0.968 387 F HN 0.144 nan 8.300 nan 0.000 0.478 388 L N 1.161 121.856 121.223 -0.879 0.000 1.951 388 L HA -0.194 4.151 4.340 0.008 0.000 0.222 388 L C 2.645 179.115 176.870 -0.666 0.000 1.078 388 L CA 2.809 57.076 54.840 -0.955 0.000 0.778 388 L CB -1.565 39.920 42.059 -0.956 0.000 0.893 388 L HN 0.271 nan 8.230 nan 0.000 0.436 389 A N -1.822 120.702 122.820 -0.493 0.000 1.915 389 A HA -0.323 4.002 4.320 0.008 0.000 0.220 389 A C 2.305 179.687 177.584 -0.336 0.000 1.198 389 A CA 2.849 54.677 52.037 -0.348 0.000 0.647 389 A CB -1.472 17.359 19.000 -0.282 0.000 0.825 389 A HN 0.610 nan 8.150 nan 0.000 0.456 390 T N -0.367 113.948 114.554 -0.398 0.000 2.674 390 T HA -0.117 4.238 4.350 0.008 0.000 0.265 390 T C 1.838 176.096 174.700 -0.737 0.000 1.039 390 T CA 1.408 63.269 62.100 -0.398 0.000 1.150 390 T CB -0.353 68.278 68.868 -0.395 0.000 0.864 390 T HN 0.430 nan 8.240 nan 0.000 0.427 391 I N 0.856 120.892 120.570 -0.891 0.000 2.335 391 I HA -0.197 3.978 4.170 0.008 0.000 0.251 391 I C 2.498 178.340 176.117 -0.458 0.000 1.129 391 I CA 1.041 61.827 61.300 -0.857 0.000 1.402 391 I CB -0.262 37.216 38.000 -0.870 0.000 1.069 391 I HN 0.218 nan 8.210 nan 0.000 0.424 392 A N 0.057 122.637 122.820 -0.399 0.000 2.121 392 A HA -0.203 4.122 4.320 0.008 0.000 0.218 392 A C 1.883 179.387 177.584 -0.133 0.000 1.154 392 A CA 1.815 53.707 52.037 -0.240 0.000 0.679 392 A CB -0.804 18.046 19.000 -0.249 0.000 0.795 392 A HN 0.601 nan 8.150 nan 0.000 0.458 393 N N -1.486 117.159 118.700 -0.092 0.000 2.387 393 N HA 0.117 4.862 4.740 0.008 0.000 0.176 393 N C 1.385 177.046 175.510 0.252 0.000 1.022 393 N CA 0.391 53.514 53.050 0.123 0.000 0.883 393 N CB -0.159 38.485 38.487 0.262 0.000 1.019 393 N HN 0.537 nan 8.380 nan 0.000 0.435 394 F N 1.276 121.222 119.950 -0.008 0.000 2.043 394 F HA -0.233 4.300 4.527 0.009 0.000 0.297 394 F C 2.500 178.289 175.800 -0.018 0.000 1.121 394 F CA 0.478 58.465 58.000 -0.021 0.000 1.199 394 F CB -0.206 38.776 39.000 -0.031 0.000 0.968 394 F HN 0.058 nan 8.300 nan 0.000 0.478 395 I N 0.733 121.404 120.570 0.169 0.000 2.335 395 I HA -0.017 4.158 4.170 0.008 0.000 0.251 395 I C 1.074 177.212 176.117 0.036 0.000 1.129 395 I CA 1.255 62.592 61.300 0.061 0.000 1.402 395 I CB -1.077 36.920 38.000 -0.005 0.000 1.069 395 I HN 0.164 nan 8.210 nan 0.000 0.424 396 G N 0.488 109.314 108.800 0.044 0.000 3.068 396 G HA2 0.232 4.197 3.960 0.008 0.000 0.685 396 G HA3 0.232 4.197 3.960 0.008 0.000 0.685 396 G C -0.384 174.471 174.900 -0.075 0.000 1.142 396 G CA -0.081 45.028 45.100 0.015 0.000 0.977 396 G HN 1.264 nan 8.290 nan 0.000 0.567 397 A N 2.146 124.866 122.820 -0.165 0.000 2.609 397 A HA 0.864 5.189 4.320 0.008 0.000 0.291 397 A C -0.199 177.256 177.584 -0.215 0.000 1.096 397 A CA -0.430 51.508 52.037 -0.164 0.000 0.684 397 A CB 1.535 20.456 19.000 -0.131 0.000 1.282 397 A HN 2.104 nan 8.150 nan 0.000 0.412 398 L N 1.253 122.377 121.223 -0.165 0.000 2.514 398 L HA 0.421 4.766 4.340 0.008 0.000 0.280 398 L C 1.567 178.347 176.870 -0.150 0.000 1.223 398 L CA 2.606 57.362 54.840 -0.140 0.000 0.864 398 L CB 0.549 42.550 42.059 -0.097 0.000 1.118 398 L HN 1.954 nan 8.230 nan 0.000 0.494 399 G N 2.127 110.838 108.800 -0.148 0.000 2.304 399 G HA2 -0.056 3.909 3.960 0.008 0.000 0.252 399 G HA3 -0.056 3.909 3.960 0.008 0.000 0.252 399 G C 0.736 175.499 174.900 -0.229 0.000 1.014 399 G CA 0.031 45.047 45.100 -0.141 0.000 0.619 399 G HN 2.036 nan 8.290 nan 0.000 0.525 400 G N -1.317 107.247 108.800 -0.394 0.000 3.199 400 G HA2 0.446 4.411 3.960 0.008 0.000 0.680 400 G HA3 0.446 4.411 3.960 0.008 0.000 0.680 400 G C 1.325 175.945 174.900 -0.467 0.000 1.197 400 G CA 0.672 45.372 45.100 -0.666 0.000 1.143 400 G HN 1.754 nan 8.290 nan 0.000 0.492 401 G N 1.312 109.792 108.800 -0.532 0.000 2.574 401 G HA2 -0.211 3.754 3.960 0.008 0.000 0.220 401 G HA3 -0.211 3.754 3.960 0.008 0.000 0.220 401 G C 2.023 176.802 174.900 -0.203 0.000 1.173 401 G CA 2.613 47.545 45.100 -0.280 0.000 0.772 401 G HN 1.873 nan 8.290 nan 0.000 0.585 402 T N 0.380 114.825 114.554 -0.181 0.000 2.684 402 T HA -0.019 4.336 4.350 0.008 0.000 0.267 402 T C 2.472 177.104 174.700 -0.115 0.000 1.036 402 T CA 2.372 64.397 62.100 -0.124 0.000 1.148 402 T CB -0.846 67.993 68.868 -0.047 0.000 0.863 402 T HN 0.339 nan 8.240 nan 0.000 0.436 403 G N 0.740 109.472 108.800 -0.114 0.000 2.446 403 G HA2 -0.171 3.794 3.960 0.008 0.000 0.217 403 G HA3 -0.171 3.794 3.960 0.008 0.000 0.217 403 G C 1.772 176.628 174.900 -0.074 0.000 1.168 403 G CA 1.182 46.232 45.100 -0.082 0.000 0.771 403 G HN 0.501 nan 8.290 nan 0.000 0.551 404 V N 1.047 120.906 119.914 -0.090 0.000 2.278 404 V HA -0.246 3.879 4.120 0.008 0.000 0.251 404 V C 2.683 178.758 176.094 -0.033 0.000 1.062 404 V CA 1.994 64.267 62.300 -0.045 0.000 1.038 404 V CB -0.663 31.134 31.823 -0.043 0.000 0.646 404 V HN 0.444 nan 8.190 nan 0.000 0.447 405 L N -0.644 120.534 121.223 -0.076 0.000 1.944 405 L HA -0.235 4.110 4.340 0.008 0.000 0.218 405 L C 2.446 179.279 176.870 -0.062 0.000 1.075 405 L CA 1.999 56.786 54.840 -0.087 0.000 0.767 405 L CB -0.379 41.598 42.059 -0.137 0.000 0.890 405 L HN 0.228 nan 8.230 nan 0.000 0.434 406 L N -0.542 120.641 121.223 -0.068 0.000 2.011 406 L HA -0.356 3.989 4.340 0.008 0.000 0.225 406 L C 2.519 179.371 176.870 -0.031 0.000 1.084 406 L CA 2.294 57.105 54.840 -0.049 0.000 0.791 406 L CB -1.364 40.662 42.059 -0.054 0.000 0.898 406 L HN 0.437 nan 8.230 nan 0.000 0.440 407 T N -0.343 114.197 114.554 -0.023 0.000 2.544 407 T HA -0.242 4.113 4.350 0.008 0.000 0.264 407 T C 1.940 176.648 174.700 0.014 0.000 1.096 407 T CA 1.954 64.050 62.100 -0.007 0.000 1.181 407 T CB -0.553 68.316 68.868 0.001 0.000 0.864 407 T HN 0.101 nan 8.240 nan 0.000 0.415 408 V N 1.494 121.432 119.914 0.040 0.000 2.252 408 V HA -0.273 3.852 4.120 0.008 0.000 0.255 408 V C 2.702 178.821 176.094 0.041 0.000 1.071 408 V CA 2.403 64.743 62.300 0.067 0.000 1.050 408 V CB -1.043 30.796 31.823 0.027 0.000 0.654 408 V HN 0.473 nan 8.190 nan 0.000 0.448 409 S N -0.373 115.326 115.700 -0.001 0.000 2.338 409 S HA -0.079 4.396 4.470 0.008 0.000 0.218 409 S C 1.876 176.432 174.600 -0.073 0.000 1.032 409 S CA 1.750 59.936 58.200 -0.024 0.000 0.999 409 S CB -0.390 62.799 63.200 -0.018 0.000 0.905 409 S HN 0.513 nan 8.310 nan 0.000 0.439 410 I N 1.543 122.069 120.570 -0.073 0.000 2.248 410 I HA -0.187 3.988 4.170 0.008 0.000 0.248 410 I C 2.163 178.240 176.117 -0.066 0.000 1.107 410 I CA 0.920 62.162 61.300 -0.097 0.000 1.373 410 I CB -0.546 37.416 38.000 -0.063 0.000 1.055 410 I HN 0.146 nan 8.210 nan 0.000 0.418 411 V N -0.022 119.888 119.914 -0.006 0.000 2.295 411 V HA -0.320 3.805 4.120 0.008 0.000 0.246 411 V C 2.271 178.408 176.094 0.073 0.000 1.049 411 V CA 1.978 64.294 62.300 0.028 0.000 1.024 411 V CB -0.799 31.059 31.823 0.058 0.000 0.648 411 V HN 0.367 nan 8.190 nan 0.000 0.447 412 Y N 2.005 122.294 120.300 -0.018 0.000 2.200 412 Y HA -0.239 4.316 4.550 0.008 0.000 0.290 412 Y C 2.782 178.678 175.900 -0.007 0.000 1.137 412 Y CA 2.133 60.258 58.100 0.041 0.000 1.163 412 Y CB -0.285 38.186 38.460 0.018 0.000 0.988 412 Y HN 0.285 nan 8.280 nan 0.000 0.518 413 R N -0.447 119.981 120.500 -0.120 0.000 2.241 413 R HA -0.164 4.181 4.340 0.008 0.000 0.224 413 R C 2.022 178.206 176.300 -0.194 0.000 1.101 413 R CA 1.752 57.684 56.100 -0.279 0.000 0.995 413 R CB -0.656 29.287 30.300 -0.595 0.000 0.870 413 R HN 0.416 nan 8.270 nan 0.000 0.463 414 M N 0.135 119.660 119.600 -0.125 0.000 2.287 414 M HA -0.074 4.412 4.480 0.008 0.000 0.266 414 M C 1.922 178.198 176.300 -0.040 0.000 1.079 414 M CA 1.178 56.433 55.300 -0.075 0.000 1.146 414 M CB -0.125 32.446 32.600 -0.047 0.000 1.374 414 M HN 0.212 nan 8.290 nan 0.000 0.435 415 Y N 1.593 121.766 120.300 -0.211 0.000 2.114 415 Y HA -0.244 4.311 4.550 0.008 0.000 0.284 415 Y C 1.796 177.560 175.900 -0.228 0.000 1.143 415 Y CA 2.114 60.081 58.100 -0.221 0.000 1.135 415 Y CB -0.834 37.423 38.460 -0.337 0.000 0.980 415 Y HN 0.314 nan 8.280 nan 0.000 0.499 416 E N 0.010 119.831 120.200 -0.631 0.000 2.070 416 E HA -0.364 3.991 4.350 0.008 0.000 0.197 416 E C 2.231 178.646 176.600 -0.309 0.000 1.004 416 E CA 1.639 57.671 56.400 -0.613 0.000 0.805 416 E CB -0.357 29.087 29.700 -0.426 0.000 0.744 416 E HN 0.615 nan 8.360 nan 0.000 0.451 417 Q N 0.772 120.462 119.800 -0.183 0.000 2.112 417 Q HA -0.168 4.177 4.340 0.008 0.000 0.206 417 Q C 2.185 178.182 176.000 -0.005 0.000 0.987 417 Q CA 1.287 57.044 55.803 -0.075 0.000 0.858 417 Q CB -0.083 28.622 28.738 -0.056 0.000 0.905 417 Q HN 0.291 nan 8.270 nan 0.000 0.420 418 L N -0.108 121.127 121.223 0.020 0.000 2.362 418 L HA -0.147 4.198 4.340 0.008 0.000 0.219 418 L C 1.930 178.882 176.870 0.136 0.000 1.134 418 L CA 0.487 55.442 54.840 0.192 0.000 0.807 418 L CB -0.146 42.044 42.059 0.219 0.000 0.927 418 L HN 0.344 nan 8.230 nan 0.000 0.447 419 L N -1.358 119.820 121.223 -0.074 0.000 2.200 419 L HA -0.022 4.323 4.340 0.008 0.000 0.200 419 L C 2.604 179.414 176.870 -0.101 0.000 1.072 419 L CA 0.490 55.249 54.840 -0.135 0.000 0.787 419 L CB -0.381 41.507 42.059 -0.284 0.000 0.957 419 L HN 0.107 nan 8.230 nan 0.000 0.459 420 R N 0.107 120.551 120.500 -0.093 0.000 2.200 420 R HA -0.155 4.190 4.340 0.008 0.000 0.234 420 R C 1.990 178.286 176.300 -0.006 0.000 1.127 420 R CA 0.967 57.035 56.100 -0.053 0.000 0.989 420 R CB -0.012 30.260 30.300 -0.046 0.000 0.869 420 R HN 0.386 nan 8.270 nan 0.000 0.459 421 E N 0.328 120.558 120.200 0.051 0.000 2.075 421 E HA -0.113 4.242 4.350 0.008 0.000 0.190 421 E C 1.722 178.286 176.600 -0.061 0.000 0.969 421 E CA 0.591 57.079 56.400 0.147 0.000 0.815 421 E CB -0.112 29.876 29.700 0.480 0.000 0.776 421 E HN 0.202 nan 8.360 nan 0.000 0.457 422 K N 1.167 121.409 120.400 -0.265 0.000 2.218 422 K HA -0.128 4.197 4.320 0.008 0.000 0.205 422 K C 1.878 178.311 176.600 -0.279 0.000 1.046 422 K CA 1.122 57.094 56.287 -0.525 0.000 0.933 422 K CB 0.190 32.457 32.500 -0.388 0.000 0.728 422 K HN -0.071 nan 8.250 nan 0.000 0.454 423 V N -0.005 119.818 119.914 -0.152 0.000 2.492 423 V HA -0.089 4.036 4.120 0.008 0.000 0.241 423 V C 1.873 177.934 176.094 -0.055 0.000 1.041 423 V CA 1.435 63.681 62.300 -0.091 0.000 1.057 423 V CB 0.225 32.019 31.823 -0.049 0.000 0.711 423 V HN 0.253 nan 8.190 nan 0.000 0.468 424 S N 0.075 115.758 115.700 -0.028 0.000 2.528 424 S HA -0.186 4.289 4.470 0.008 0.000 0.244 424 S C 1.550 176.144 174.600 -0.009 0.000 0.982 424 S CA 1.067 59.270 58.200 0.006 0.000 0.953 424 S CB -0.297 62.917 63.200 0.024 0.000 0.754 424 S HN 0.599 nan 8.310 nan 0.000 0.529 425 E N 0.092 120.259 120.200 -0.055 0.000 2.320 425 E HA 0.226 4.582 4.350 0.008 0.000 0.189 425 E C 0.678 177.221 176.600 -0.095 0.000 1.100 425 E CA 0.105 56.466 56.400 -0.065 0.000 1.009 425 E CB -0.039 29.583 29.700 -0.130 0.000 1.145 425 E HN 0.240 nan 8.360 nan 0.000 0.454 426 L N -0.925 120.234 121.223 -0.107 0.000 2.865 426 L HA 0.201 4.547 4.340 0.008 0.000 0.167 426 L C -0.062 176.678 176.870 -0.216 0.000 1.135 426 L CA 0.178 54.896 54.840 -0.203 0.000 0.895 426 L CB 0.173 42.046 42.059 -0.311 0.000 1.643 426 L HN 0.097 nan 8.230 nan 0.000 0.518 427 H N 1.420 120.476 119.070 -0.024 0.000 2.908 427 H HA 0.290 4.851 4.556 0.009 0.000 0.269 427 H C -1.934 173.386 175.328 -0.013 0.000 1.303 427 H CA -2.071 53.967 56.048 -0.017 0.000 1.341 427 H CB 0.065 29.816 29.762 -0.018 0.000 1.519 427 H HN 0.028 nan 8.280 nan 0.000 0.505 428 P HA 0.117 nan 4.420 nan 0.000 0.238 428 P C 0.342 177.671 177.300 0.048 0.000 1.729 428 P CA 0.322 63.451 63.100 0.049 0.000 1.055 428 P CB 0.335 32.052 31.700 0.028 0.000 1.980 429 A N 1.537 124.387 122.820 0.051 0.000 1.428 429 A HA 0.048 4.373 4.320 0.008 0.000 0.209 429 A C 0.864 178.458 177.584 0.017 0.000 1.887 429 A CA -0.186 51.868 52.037 0.028 0.000 1.545 429 A CB -0.659 18.354 19.000 0.022 0.000 1.456 429 A HN 0.293 nan 8.150 nan 0.000 0.330 430 I N -0.123 120.458 120.570 0.018 0.000 2.749 430 I HA 0.470 4.645 4.170 0.008 0.000 0.283 430 I C 0.710 176.834 176.117 0.011 0.000 0.993 430 I CA 0.521 61.823 61.300 0.003 0.000 2.393 430 I CB 0.042 38.034 38.000 -0.014 0.000 1.549 430 I HN 0.236 nan 8.210 nan 0.000 1.045 431 A N 3.641 126.468 122.820 0.011 0.000 2.640 431 A HA 0.308 4.633 4.320 0.008 0.000 0.282 431 A C 1.283 178.871 177.584 0.006 0.000 1.357 431 A CA -0.302 51.741 52.037 0.010 0.000 0.946 431 A CB -0.215 18.791 19.000 0.009 0.000 1.065 431 A HN 0.726 nan 8.150 nan 0.000 0.541 432 K N -1.099 119.304 120.400 0.005 0.000 2.603 432 K HA 0.292 4.617 4.320 0.008 0.000 0.216 432 K C -0.008 176.597 176.600 0.008 0.000 1.562 432 K CA -0.118 56.173 56.287 0.007 0.000 1.012 432 K CB 0.410 32.913 32.500 0.005 0.000 1.280 432 K HN 0.379 nan 8.250 nan 0.000 0.620 433 L N 0.000 121.225 121.223 0.003 0.000 2.949 433 L HA 0.000 4.345 4.340 0.008 0.000 0.249 433 L CA 0.000 54.840 54.840 0.000 0.000 0.813 433 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502