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 1n70_1_A DATA FIRST_RESID 41 DATA SEQUENCE LSNLPRVKHT LVPPPFAHAH EQVAASGPVI NEFEMRIIEK EVQLDEDAYL DATA SEQUENCE QAMTFDGSIP GPLMIVHEGD YVELTLINPP ENTMPHNIDF HAATGALGGG DATA SEQUENCE GLTLINPGEK VVLRFKATRA GAFVYHCAPG GPMIPWHVVS GMAGCIMVLP DATA SEQUENCE RDGLKDHEGK PVRYDTVYYI GESDHYIPKD EDGTYMRFSD PSEGYEDMVA DATA SEQUENCE VMDTLIPSHI VFNGAVGALT GEGALKAKVG DNVLFVHSQP NRDSRPALIG DATA SEQUENCE GHGDLVWETG KFHNAPERDL ETWFIRGGTA GAALYKFLQP GVYAYVNHNL DATA SEQUENCE IEAVHKGATA HVLVEGEWDN DLMEQVVAPV GLTG 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 41 L HA 0.000 nan 4.340 nan 0.000 0.249 41 L C 0.000 176.779 176.870 -0.151 0.000 1.165 41 L CA 0.000 54.712 54.840 -0.214 0.000 0.813 41 L CB 0.000 41.855 42.059 -0.340 0.000 0.961 42 S N -0.818 114.819 115.700 -0.106 0.000 2.507 42 S HA -0.050 4.420 4.470 0.001 0.000 0.235 42 S C 1.036 175.595 174.600 -0.067 0.000 0.988 42 S CA 1.283 59.434 58.200 -0.081 0.000 0.944 42 S CB -0.484 62.678 63.200 -0.063 0.000 0.762 42 S HN 0.562 nan 8.310 nan 0.000 0.526 43 N N 0.433 119.095 118.700 -0.064 0.000 2.336 43 N HA 0.297 5.038 4.740 0.001 0.000 0.189 43 N C -0.456 175.027 175.510 -0.045 0.000 1.113 43 N CA -0.096 52.925 53.050 -0.047 0.000 0.858 43 N CB 0.175 38.641 38.487 -0.036 0.000 0.970 43 N HN 0.365 nan 8.380 nan 0.000 0.471 44 L N 1.694 122.880 121.223 -0.061 0.000 2.325 44 L HA 0.435 4.776 4.340 0.001 0.000 0.279 44 L C -2.187 174.653 176.870 -0.050 0.000 1.054 44 L CA -1.912 52.900 54.840 -0.047 0.000 0.804 44 L CB 0.838 42.862 42.059 -0.059 0.000 1.200 44 L HN -0.253 nan 8.230 nan 0.000 0.436 45 P HA 0.235 nan 4.420 nan 0.000 0.272 45 P C -1.048 176.217 177.300 -0.058 0.000 1.223 45 P CA -0.246 62.827 63.100 -0.044 0.000 0.784 45 P CB 0.576 32.256 31.700 -0.033 0.000 0.923 46 R N 1.011 121.464 120.500 -0.079 0.000 2.494 46 R HA 0.601 4.942 4.340 0.001 0.000 0.305 46 R C -1.303 174.910 176.300 -0.146 0.000 0.959 46 R CA -0.862 55.175 56.100 -0.107 0.000 0.864 46 R CB 1.669 31.905 30.300 -0.107 0.000 1.159 46 R HN 0.200 nan 8.270 nan 0.000 0.446 47 V N 3.453 123.241 119.914 -0.210 0.000 2.444 47 V HA 0.251 4.372 4.120 0.001 0.000 0.294 47 V C -0.497 175.276 176.094 -0.534 0.000 1.022 47 V CA -0.909 61.184 62.300 -0.344 0.000 0.850 47 V CB 1.663 33.266 31.823 -0.368 0.000 0.992 47 V HN 0.519 nan 8.190 nan 0.000 0.426 48 K N 4.634 124.764 120.400 -0.450 0.000 2.227 48 K HA 0.397 4.718 4.320 0.001 0.000 0.280 48 K C -0.433 175.852 176.600 -0.525 0.000 1.041 48 K CA 0.028 56.065 56.287 -0.416 0.000 0.905 48 K CB 0.294 32.658 32.500 -0.226 0.000 1.068 48 K HN 0.700 nan 8.250 nan 0.000 0.470 49 H N 2.213 121.050 119.070 -0.388 0.000 2.499 49 H HA 0.357 4.914 4.556 0.001 0.000 0.340 49 H C -0.486 174.735 175.328 -0.179 0.000 1.148 49 H CA -0.565 55.262 56.048 -0.368 0.000 1.215 49 H CB 1.894 31.239 29.762 -0.695 0.000 1.529 49 H HN 0.550 nan 8.280 nan 0.000 0.510 50 T N 4.227 118.801 114.554 0.033 0.000 2.788 50 T HA 0.304 4.654 4.350 0.001 0.000 0.296 50 T C 0.790 175.564 174.700 0.125 0.000 1.009 50 T CA -0.682 61.463 62.100 0.075 0.000 0.949 50 T CB 0.399 69.305 68.868 0.065 0.000 0.946 50 T HN 0.213 nan 8.240 nan 0.000 0.453 51 L N 3.592 124.915 121.223 0.166 0.000 2.439 51 L HA 0.539 4.880 4.340 0.001 0.000 0.269 51 L C 0.561 177.556 176.870 0.209 0.000 1.179 51 L CA -0.616 54.356 54.840 0.221 0.000 0.828 51 L CB 0.530 42.716 42.059 0.212 0.000 1.106 51 L HN 0.405 nan 8.230 nan 0.000 0.467 52 V N 0.218 120.281 119.914 0.249 0.000 2.815 52 V HA 0.657 4.778 4.120 0.001 0.000 0.314 52 V C -2.395 173.841 176.094 0.236 0.000 1.064 52 V CA -2.157 60.275 62.300 0.219 0.000 0.952 52 V CB 1.363 33.325 31.823 0.231 0.000 1.020 52 V HN 0.603 nan 8.190 nan 0.000 0.439 53 P HA 0.324 nan 4.420 nan 0.000 0.271 53 P C -2.700 174.766 177.300 0.276 0.000 1.218 53 P CA -1.241 61.992 63.100 0.222 0.000 0.780 53 P CB 0.337 32.146 31.700 0.182 0.000 0.901 54 P HA 0.114 nan 4.420 nan 0.000 0.272 54 P C -1.929 175.393 177.300 0.038 0.000 1.230 54 P CA -1.519 61.642 63.100 0.102 0.000 0.788 54 P CB -0.381 31.301 31.700 -0.030 0.000 0.949 55 P HA 0.120 nan 4.420 nan 0.000 0.255 55 P C -0.298 176.833 177.300 -0.282 0.000 1.357 55 P CA 0.128 63.041 63.100 -0.312 0.000 0.839 55 P CB -0.167 31.247 31.700 -0.476 0.000 1.356 56 F N 1.297 121.349 119.950 0.170 0.000 2.380 56 F HA 0.575 5.103 4.527 0.002 0.000 0.319 56 F C 1.092 176.965 175.800 0.121 0.000 1.113 56 F CA -0.934 57.161 58.000 0.159 0.000 1.056 56 F CB 0.643 39.727 39.000 0.140 0.000 1.289 56 F HN -0.139 nan 8.300 nan 0.000 0.515 57 A N 0.192 123.167 122.820 0.258 0.000 2.365 57 A HA 0.431 4.752 4.320 0.001 0.000 0.318 57 A C -0.595 177.084 177.584 0.158 0.000 1.091 57 A CA -0.741 51.361 52.037 0.108 0.000 0.763 57 A CB 0.383 19.366 19.000 -0.029 0.000 1.248 57 A HN 0.877 nan 8.150 nan 0.000 0.442 58 H N 1.122 120.305 119.070 0.189 0.000 2.757 58 H HA 0.501 5.057 4.556 0.001 0.000 0.370 58 H C 0.429 175.927 175.328 0.283 0.000 1.172 58 H CA 0.066 56.239 56.048 0.209 0.000 1.426 58 H CB 0.652 30.536 29.762 0.204 0.000 1.438 58 H HN 0.759 nan 8.280 nan 0.000 0.612 59 A N 3.362 126.424 122.820 0.403 0.000 2.565 59 A HA 0.141 4.462 4.320 0.001 0.000 0.237 59 A C 0.176 178.010 177.584 0.417 0.000 1.053 59 A CA 0.569 52.781 52.037 0.292 0.000 0.755 59 A CB -0.463 18.657 19.000 0.201 0.000 0.980 59 A HN 1.052 nan 8.150 nan 0.000 0.506 60 H N -0.071 119.086 119.070 0.146 0.000 2.932 60 H HA 0.577 5.134 4.556 0.001 0.000 0.307 60 H C -1.511 173.885 175.328 0.114 0.000 1.391 60 H CA -0.964 55.176 56.048 0.155 0.000 1.130 60 H CB 0.745 30.542 29.762 0.058 0.000 1.836 60 H HN 0.587 nan 8.280 nan 0.000 0.522 61 E N 0.528 120.836 120.200 0.181 0.000 2.187 61 E HA 0.176 4.527 4.350 0.001 0.000 0.268 61 E C 0.332 177.077 176.600 0.242 0.000 0.896 61 E CA -0.666 55.783 56.400 0.082 0.000 0.766 61 E CB 2.989 32.739 29.700 0.084 0.000 1.142 61 E HN 0.543 nan 8.360 nan 0.000 0.408 62 Q N 0.514 120.347 119.800 0.055 0.000 2.119 62 Q HA -0.028 4.312 4.340 0.001 0.000 0.201 62 Q C 0.366 176.465 176.000 0.165 0.000 0.972 62 Q CA 0.817 56.658 55.803 0.063 0.000 0.847 62 Q CB 0.284 28.866 28.738 -0.261 0.000 0.903 62 Q HN 0.243 nan 8.270 nan 0.000 0.433 63 V N 1.312 121.250 119.914 0.040 0.000 2.394 63 V HA 0.370 4.491 4.120 0.001 0.000 0.282 63 V C -0.235 175.752 176.094 -0.178 0.000 1.031 63 V CA -0.836 61.439 62.300 -0.041 0.000 0.881 63 V CB 1.177 32.962 31.823 -0.063 0.000 0.982 63 V HN 0.208 nan 8.190 nan 0.000 0.451 64 A N 4.107 126.647 122.820 -0.466 0.000 2.545 64 A HA 0.424 4.745 4.320 0.001 0.000 0.253 64 A C 1.375 178.813 177.584 -0.243 0.000 1.074 64 A CA 0.535 52.200 52.037 -0.621 0.000 0.760 64 A CB 0.205 18.839 19.000 -0.610 0.000 1.005 64 A HN 1.396 nan 8.150 nan 0.000 0.506 65 A N 2.637 125.363 122.820 -0.158 0.000 2.238 65 A HA 0.437 4.757 4.320 0.001 0.000 0.208 65 A C 1.102 178.646 177.584 -0.066 0.000 1.177 65 A CA 1.002 52.990 52.037 -0.082 0.000 0.804 65 A CB -0.570 18.403 19.000 -0.044 0.000 0.823 65 A HN 1.925 nan 8.150 nan 0.000 0.482 66 S N -3.159 112.494 115.700 -0.079 0.000 2.703 66 S HA 0.624 5.095 4.470 0.001 0.000 0.273 66 S C 0.345 174.916 174.600 -0.048 0.000 1.178 66 S CA -0.275 57.895 58.200 -0.050 0.000 0.838 66 S CB 0.337 63.518 63.200 -0.031 0.000 1.178 66 S HN 0.927 nan 8.310 nan 0.000 0.494 67 G N 0.225 109.011 108.800 -0.023 0.000 2.570 67 G HA2 0.564 4.525 3.960 0.001 0.000 0.276 67 G HA3 0.564 4.525 3.960 0.001 0.000 0.276 67 G C -2.856 172.051 174.900 0.011 0.000 1.346 67 G CA -1.502 43.593 45.100 -0.007 0.000 1.034 67 G HN 0.618 nan 8.290 nan 0.000 0.512 68 P HA 0.213 nan 4.420 nan 0.000 0.264 68 P C -0.026 177.324 177.300 0.084 0.000 1.183 68 P CA 0.010 63.152 63.100 0.071 0.000 0.763 68 P CB 0.955 32.716 31.700 0.101 0.000 0.807 69 V N 1.039 121.012 119.914 0.098 0.000 3.141 69 V HA 0.585 4.706 4.120 0.001 0.000 0.312 69 V C -0.646 175.508 176.094 0.102 0.000 1.157 69 V CA -1.090 61.252 62.300 0.071 0.000 1.041 69 V CB 2.156 34.002 31.823 0.039 0.000 1.071 69 V HN 0.222 nan 8.190 nan 0.000 0.441 70 I N 2.850 123.438 120.570 0.030 0.000 2.307 70 I HA 0.389 4.560 4.170 0.001 0.000 0.289 70 I C -0.289 175.794 176.117 -0.057 0.000 1.021 70 I CA -0.329 60.976 61.300 0.008 0.000 1.224 70 I CB 0.939 38.899 38.000 -0.067 0.000 1.376 70 I HN 0.637 nan 8.210 nan 0.000 0.470 71 N N 7.372 126.043 118.700 -0.048 0.000 2.408 71 N HA 0.200 4.941 4.740 0.001 0.000 0.257 71 N C -0.608 174.737 175.510 -0.275 0.000 1.064 71 N CA -0.252 52.720 53.050 -0.129 0.000 0.952 71 N CB 1.271 39.772 38.487 0.024 0.000 1.093 71 N HN 0.573 nan 8.380 nan 0.000 0.490 72 E N 2.163 122.122 120.200 -0.401 0.000 2.134 72 E HA 0.382 4.733 4.350 0.001 0.000 0.278 72 E C -0.832 175.491 176.600 -0.462 0.000 0.959 72 E CA -0.288 55.923 56.400 -0.315 0.000 0.783 72 E CB 1.025 30.596 29.700 -0.215 0.000 1.095 72 E HN 0.346 nan 8.360 nan 0.000 0.399 73 F N 1.101 121.053 119.950 0.003 0.000 2.577 73 F HA 0.404 4.931 4.527 0.001 0.000 0.318 73 F C 0.133 175.936 175.800 0.005 0.000 1.065 73 F CA -0.868 57.136 58.000 0.007 0.000 0.929 73 F CB 2.103 41.098 39.000 -0.008 0.000 1.237 73 F HN 0.327 nan 8.300 nan 0.000 0.468 74 E N 2.587 122.921 120.200 0.223 0.000 2.308 74 E HA 0.642 4.993 4.350 0.001 0.000 0.275 74 E C -1.710 174.965 176.600 0.125 0.000 0.890 74 E CA -0.661 55.819 56.400 0.134 0.000 0.754 74 E CB 1.890 31.642 29.700 0.088 0.000 1.207 74 E HN 0.663 nan 8.360 nan 0.000 0.426 75 M N 3.030 122.694 119.600 0.105 0.000 2.433 75 M HA 0.408 4.888 4.480 0.001 0.000 0.290 75 M C -0.799 175.572 176.300 0.119 0.000 1.173 75 M CA -0.761 54.607 55.300 0.114 0.000 0.905 75 M CB 2.782 35.445 32.600 0.104 0.000 1.692 75 M HN 0.362 nan 8.290 nan 0.000 0.462 76 R N 2.734 123.300 120.500 0.111 0.000 2.338 76 R HA 0.632 4.972 4.340 0.001 0.000 0.317 76 R C -1.314 175.025 176.300 0.065 0.000 0.968 76 R CA -0.499 55.649 56.100 0.080 0.000 0.849 76 R CB 1.005 31.341 30.300 0.060 0.000 1.128 76 R HN 0.748 nan 8.270 nan 0.000 0.448 77 I N 5.712 126.293 120.570 0.018 0.000 2.471 77 I HA 0.132 4.302 4.170 0.001 0.000 0.286 77 I C -0.008 176.042 176.117 -0.111 0.000 1.079 77 I CA -0.128 61.104 61.300 -0.113 0.000 1.398 77 I CB 0.863 38.708 38.000 -0.258 0.000 1.403 77 I HN 0.407 nan 8.210 nan 0.000 0.530 78 I N 6.648 127.139 120.570 -0.131 0.000 2.418 78 I HA 0.313 4.484 4.170 0.001 0.000 0.287 78 I C -0.065 175.981 176.117 -0.118 0.000 1.008 78 I CA -0.541 60.708 61.300 -0.086 0.000 1.104 78 I CB 1.480 39.458 38.000 -0.037 0.000 1.264 78 I HN 0.588 nan 8.210 nan 0.000 0.438 79 E N 6.978 127.128 120.200 -0.083 0.000 2.146 79 E HA 0.519 4.869 4.350 0.001 0.000 0.282 79 E C -0.601 175.973 176.600 -0.044 0.000 0.989 79 E CA -0.574 55.780 56.400 -0.077 0.000 0.799 79 E CB 1.603 31.284 29.700 -0.033 0.000 1.088 79 E HN 0.531 nan 8.360 nan 0.000 0.397 80 K N 1.598 121.970 120.400 -0.048 0.000 2.587 80 K HA 0.294 4.614 4.320 0.001 0.000 0.276 80 K C -1.126 175.465 176.600 -0.015 0.000 0.956 80 K CA -0.950 55.325 56.287 -0.020 0.000 0.857 80 K CB 1.508 33.999 32.500 -0.015 0.000 1.431 80 K HN 0.292 nan 8.250 nan 0.000 0.420 81 E N 2.001 122.210 120.200 0.015 0.000 2.338 81 E HA 0.264 4.615 4.350 0.001 0.000 0.272 81 E C -0.589 176.045 176.600 0.056 0.000 1.029 81 E CA -0.791 55.636 56.400 0.045 0.000 0.872 81 E CB 1.196 30.936 29.700 0.067 0.000 1.015 81 E HN 0.477 nan 8.360 nan 0.000 0.417 82 V N 1.363 121.298 119.914 0.036 0.000 2.914 82 V HA 0.399 4.520 4.120 0.001 0.000 0.314 82 V C -0.628 175.423 176.094 -0.073 0.000 1.084 82 V CA -1.092 61.200 62.300 -0.014 0.000 0.963 82 V CB 1.648 33.414 31.823 -0.096 0.000 1.025 82 V HN 0.781 nan 8.190 nan 0.000 0.432 83 Q N 1.867 121.559 119.800 -0.179 0.000 2.349 83 Q HA 0.482 4.823 4.340 0.001 0.000 0.254 83 Q C -0.001 175.731 176.000 -0.446 0.000 0.980 83 Q CA -0.409 55.062 55.803 -0.554 0.000 0.924 83 Q CB 1.388 29.839 28.738 -0.477 0.000 1.209 83 Q HN 0.916 nan 8.270 nan 0.000 0.445 84 L N 2.591 123.492 121.223 -0.538 0.000 2.209 84 L HA 0.181 4.522 4.340 0.001 0.000 0.207 84 L C 0.581 177.224 176.870 -0.379 0.000 1.094 84 L CA 0.573 55.132 54.840 -0.469 0.000 0.790 84 L CB 0.168 41.812 42.059 -0.692 0.000 0.932 84 L HN 0.674 nan 8.230 nan 0.000 0.447 85 D N -1.952 118.199 120.400 -0.414 0.000 2.792 85 D HA 0.102 4.743 4.640 0.001 0.000 0.335 85 D C -1.152 175.007 176.300 -0.236 0.000 1.353 85 D CA -0.648 53.210 54.000 -0.236 0.000 0.839 85 D CB 0.985 41.725 40.800 -0.101 0.000 1.396 85 D HN -0.101 nan 8.370 nan 0.000 0.479 86 E N 0.910 121.047 120.200 -0.105 0.000 2.417 86 E HA 0.094 4.445 4.350 0.001 0.000 0.261 86 E C -0.302 176.301 176.600 0.004 0.000 1.000 86 E CA 0.478 56.849 56.400 -0.050 0.000 0.919 86 E CB 0.264 29.960 29.700 -0.005 0.000 0.955 86 E HN 0.380 nan 8.360 nan 0.000 0.455 87 D N 1.357 121.793 120.400 0.060 0.000 2.911 87 D HA -0.223 4.418 4.640 0.001 0.000 0.227 87 D C -1.348 175.076 176.300 0.207 0.000 1.164 87 D CA 1.164 55.280 54.000 0.194 0.000 0.782 87 D CB -0.653 40.244 40.800 0.160 0.000 1.094 87 D HN 0.497 nan 8.370 nan 0.000 0.425 88 A N 0.941 123.715 122.820 -0.076 0.000 2.411 88 A HA 0.608 4.929 4.320 0.001 0.000 0.285 88 A C -1.214 176.067 177.584 -0.506 0.000 1.129 88 A CA -0.573 51.343 52.037 -0.203 0.000 0.736 88 A CB 0.977 19.723 19.000 -0.423 0.000 1.186 88 A HN 0.121 nan 8.150 nan 0.000 0.445 89 Y N 0.816 121.023 120.300 -0.156 0.000 2.562 89 Y HA 0.735 5.286 4.550 0.001 0.000 0.343 89 Y C -0.318 175.506 175.900 -0.126 0.000 1.025 89 Y CA -1.138 56.879 58.100 -0.138 0.000 1.082 89 Y CB 2.303 40.726 38.460 -0.062 0.000 1.264 89 Y HN 0.655 nan 8.280 nan 0.000 0.478 90 L N 2.153 123.378 121.223 0.004 0.000 2.409 90 L HA 0.491 4.831 4.340 0.001 0.000 0.272 90 L C -1.088 175.793 176.870 0.018 0.000 0.980 90 L CA -0.786 54.034 54.840 -0.034 0.000 0.826 90 L CB 1.844 43.759 42.059 -0.240 0.000 1.268 90 L HN 0.497 nan 8.230 nan 0.000 0.407 91 Q N 4.253 124.099 119.800 0.076 0.000 2.513 91 Q HA 0.436 4.776 4.340 0.001 0.000 0.227 91 Q C -0.163 175.809 176.000 -0.048 0.000 1.257 91 Q CA 0.071 55.906 55.803 0.055 0.000 0.915 91 Q CB 0.784 29.597 28.738 0.124 0.000 1.507 91 Q HN 0.759 nan 8.270 nan 0.000 0.543 92 A N 3.263 126.032 122.820 -0.085 0.000 2.271 92 A HA 0.730 5.051 4.320 0.001 0.000 0.288 92 A C -0.008 177.469 177.584 -0.179 0.000 1.094 92 A CA -0.306 51.643 52.037 -0.148 0.000 0.828 92 A CB 0.747 19.662 19.000 -0.141 0.000 1.091 92 A HN 0.685 nan 8.150 nan 0.000 0.493 93 M N 1.705 121.163 119.600 -0.236 0.000 2.213 93 M HA 0.393 4.874 4.480 0.001 0.000 0.286 93 M C -0.519 175.600 176.300 -0.301 0.000 1.008 93 M CA -0.303 54.823 55.300 -0.289 0.000 0.937 93 M CB 2.359 34.740 32.600 -0.364 0.000 1.600 93 M HN 0.906 nan 8.290 nan 0.000 0.450 94 T N -0.885 113.488 114.554 -0.302 0.000 2.906 94 T HA 0.723 5.073 4.350 0.001 0.000 0.295 94 T C -0.988 173.547 174.700 -0.275 0.000 1.075 94 T CA -0.661 61.294 62.100 -0.242 0.000 1.005 94 T CB 1.470 70.286 68.868 -0.087 0.000 1.136 94 T HN 0.277 nan 8.240 nan 0.000 0.498 95 F N 1.733 121.686 119.950 0.005 0.000 2.404 95 F HA 0.426 4.953 4.527 0.001 0.000 0.358 95 F C 0.994 176.826 175.800 0.054 0.000 1.120 95 F CA -0.250 57.773 58.000 0.039 0.000 1.144 95 F CB 0.449 39.539 39.000 0.151 0.000 1.133 95 F HN 0.836 nan 8.300 nan 0.000 0.495 96 D N 2.615 123.139 120.400 0.206 0.000 3.041 96 D HA -0.192 4.449 4.640 0.001 0.000 0.220 96 D C 1.309 177.669 176.300 0.101 0.000 1.157 96 D CA 1.684 55.771 54.000 0.145 0.000 0.876 96 D CB -1.084 39.818 40.800 0.171 0.000 1.107 96 D HN 1.033 nan 8.370 nan 0.000 0.422 97 G N -1.422 107.416 108.800 0.064 0.000 2.148 97 G HA2 -0.202 3.759 3.960 0.001 0.000 0.254 97 G HA3 -0.202 3.759 3.960 0.001 0.000 0.254 97 G C 0.218 175.144 174.900 0.042 0.000 0.981 97 G CA 1.120 46.242 45.100 0.036 0.000 0.670 97 G HN 1.426 nan 8.290 nan 0.000 0.528 98 S N -1.026 114.716 115.700 0.069 0.000 2.599 98 S HA 0.851 5.322 4.470 0.001 0.000 0.287 98 S C -0.664 173.972 174.600 0.060 0.000 1.105 98 S CA -1.012 57.226 58.200 0.062 0.000 0.899 98 S CB 2.766 66.020 63.200 0.090 0.000 1.100 98 S HN 0.691 nan 8.310 nan 0.000 0.482 99 I N 2.461 123.048 120.570 0.029 0.000 2.468 99 I HA 0.407 4.578 4.170 0.001 0.000 0.284 99 I C -2.421 173.685 176.117 -0.019 0.000 1.038 99 I CA -2.349 58.965 61.300 0.024 0.000 1.083 99 I CB 2.649 40.658 38.000 0.015 0.000 1.223 99 I HN 0.522 nan 8.210 nan 0.000 0.443 100 P HA 0.142 nan 4.420 nan 0.000 0.275 100 P C 0.176 177.541 177.300 0.110 0.000 1.266 100 P CA -0.086 63.011 63.100 -0.005 0.000 0.793 100 P CB 0.731 32.355 31.700 -0.127 0.000 1.074 101 G N 0.302 109.216 108.800 0.190 0.000 2.636 101 G HA2 0.287 4.248 3.960 0.001 0.000 0.246 101 G HA3 0.287 4.248 3.960 0.001 0.000 0.246 101 G C -2.236 172.853 174.900 0.316 0.000 1.216 101 G CA -0.997 44.296 45.100 0.321 0.000 0.854 101 G HN 0.430 nan 8.290 nan 0.000 0.572 102 P HA 0.062 nan 4.420 nan 0.000 0.269 102 P C -0.327 177.120 177.300 0.244 0.000 1.215 102 P CA -0.436 62.833 63.100 0.281 0.000 0.780 102 P CB 1.085 32.921 31.700 0.227 0.000 0.898 103 L N 3.166 124.488 121.223 0.164 0.000 2.331 103 L HA 0.297 4.638 4.340 0.001 0.000 0.278 103 L C 0.069 176.924 176.870 -0.025 0.000 1.106 103 L CA 0.164 54.956 54.840 -0.081 0.000 0.824 103 L CB -0.036 41.890 42.059 -0.222 0.000 1.142 103 L HN 0.302 nan 8.230 nan 0.000 0.443 104 M N 6.357 125.881 119.600 -0.128 0.000 2.336 104 M HA 0.500 4.980 4.480 0.001 0.000 0.342 104 M C -0.951 175.269 176.300 -0.133 0.000 1.128 104 M CA -0.213 54.934 55.300 -0.254 0.000 1.016 104 M CB 1.696 33.837 32.600 -0.765 0.000 1.665 104 M HN 0.448 nan 8.290 nan 0.000 0.445 105 I N 3.664 124.267 120.570 0.056 0.000 2.466 105 I HA 0.639 4.810 4.170 0.001 0.000 0.289 105 I C -0.488 175.618 176.117 -0.017 0.000 1.026 105 I CA -0.888 60.311 61.300 -0.169 0.000 1.078 105 I CB 1.739 39.383 38.000 -0.594 0.000 1.249 105 I HN 0.547 nan 8.210 nan 0.000 0.429 106 V N 1.953 121.817 119.914 -0.083 0.000 3.103 106 V HA 0.629 4.750 4.120 0.001 0.000 0.311 106 V C -1.299 174.661 176.094 -0.222 0.000 1.322 106 V CA -0.761 61.519 62.300 -0.034 0.000 1.063 106 V CB 2.191 34.050 31.823 0.062 0.000 1.090 106 V HN 0.688 nan 8.190 nan 0.000 0.462 107 H N -0.384 118.722 119.070 0.061 0.000 2.569 107 H HA 0.565 5.122 4.556 0.001 0.000 0.357 107 H C -0.403 174.944 175.328 0.031 0.000 1.153 107 H CA -0.256 55.822 56.048 0.050 0.000 1.193 107 H CB 1.693 31.485 29.762 0.049 0.000 1.602 107 H HN 0.936 nan 8.280 nan 0.000 0.523 108 E N 1.205 121.504 120.200 0.165 0.000 2.558 108 E HA 0.104 4.454 4.350 0.001 0.000 0.255 108 E C 0.636 177.276 176.600 0.066 0.000 0.968 108 E CA 1.154 57.621 56.400 0.111 0.000 0.939 108 E CB -0.037 29.760 29.700 0.162 0.000 0.921 108 E HN 0.941 nan 8.360 nan 0.000 0.477 109 G N 4.052 112.840 108.800 -0.019 0.000 2.254 109 G HA2 -0.209 3.752 3.960 0.001 0.000 0.225 109 G HA3 -0.209 3.752 3.960 0.001 0.000 0.225 109 G C 0.017 174.813 174.900 -0.173 0.000 1.003 109 G CA 0.057 45.108 45.100 -0.082 0.000 0.622 109 G HN 0.627 nan 8.290 nan 0.000 0.507 110 D N -0.106 120.233 120.400 -0.102 0.000 2.371 110 D HA 0.560 5.201 4.640 0.001 0.000 0.242 110 D C 0.139 176.260 176.300 -0.299 0.000 1.218 110 D CA 0.284 54.237 54.000 -0.079 0.000 0.945 110 D CB 0.309 41.125 40.800 0.027 0.000 1.137 110 D HN 0.242 nan 8.370 nan 0.000 0.464 111 Y N -0.963 119.262 120.300 -0.124 0.000 2.487 111 Y HA 0.481 5.032 4.550 0.001 0.000 0.337 111 Y C 0.097 175.804 175.900 -0.322 0.000 1.076 111 Y CA -0.856 57.107 58.100 -0.228 0.000 1.115 111 Y CB 1.569 39.932 38.460 -0.160 0.000 1.235 111 Y HN -0.088 nan 8.280 nan 0.000 0.468 112 V N 2.074 121.715 119.914 -0.454 0.000 2.487 112 V HA 0.347 4.468 4.120 0.001 0.000 0.298 112 V C -0.782 175.096 176.094 -0.360 0.000 1.028 112 V CA -1.034 60.958 62.300 -0.515 0.000 0.860 112 V CB 1.603 32.736 31.823 -1.150 0.000 0.991 112 V HN 0.727 nan 8.190 nan 0.000 0.427 113 E N 3.753 123.880 120.200 -0.120 0.000 2.141 113 E HA 0.452 4.803 4.350 0.001 0.000 0.259 113 E C -1.360 175.269 176.600 0.050 0.000 0.883 113 E CA -0.693 55.680 56.400 -0.045 0.000 0.744 113 E CB 2.118 31.789 29.700 -0.048 0.000 1.150 113 E HN 0.496 nan 8.360 nan 0.000 0.420 114 L N 3.028 124.303 121.223 0.086 0.000 2.296 114 L HA 0.393 4.734 4.340 0.001 0.000 0.286 114 L C -0.611 176.332 176.870 0.122 0.000 1.023 114 L CA -0.010 54.923 54.840 0.155 0.000 0.812 114 L CB 1.755 43.946 42.059 0.220 0.000 1.223 114 L HN 0.245 nan 8.230 nan 0.000 0.421 115 T N 6.500 121.119 114.554 0.108 0.000 2.738 115 T HA 0.463 4.814 4.350 0.001 0.000 0.298 115 T C -0.641 174.114 174.700 0.092 0.000 0.962 115 T CA -0.087 62.064 62.100 0.084 0.000 0.972 115 T CB 0.509 69.415 68.868 0.063 0.000 0.928 115 T HN 0.452 nan 8.240 nan 0.000 0.474 116 L N 5.772 127.052 121.223 0.095 0.000 2.296 116 L HA 0.661 5.001 4.340 0.001 0.000 0.286 116 L C -1.019 175.909 176.870 0.098 0.000 1.023 116 L CA -0.523 54.381 54.840 0.106 0.000 0.812 116 L CB 0.777 42.910 42.059 0.124 0.000 1.223 116 L HN 0.589 nan 8.230 nan 0.000 0.421 117 I N 4.503 125.131 120.570 0.096 0.000 2.406 117 I HA 0.379 4.550 4.170 0.001 0.000 0.290 117 I C -0.530 175.632 176.117 0.075 0.000 0.999 117 I CA -0.614 60.733 61.300 0.078 0.000 1.124 117 I CB 1.742 39.781 38.000 0.065 0.000 1.289 117 I HN 0.537 nan 8.210 nan 0.000 0.441 118 N N 8.491 127.238 118.700 0.078 0.000 2.621 118 N HA 0.359 5.099 4.740 0.001 0.000 0.237 118 N C -2.631 172.921 175.510 0.069 0.000 0.997 118 N CA -2.177 50.925 53.050 0.087 0.000 0.918 118 N CB 1.258 39.825 38.487 0.134 0.000 1.122 118 N HN 0.214 nan 8.380 nan 0.000 0.510 119 P HA 0.087 nan 4.420 nan 0.000 0.268 119 P C -1.947 175.380 177.300 0.045 0.000 1.208 119 P CA -0.777 62.349 63.100 0.043 0.000 0.777 119 P CB 0.630 32.349 31.700 0.032 0.000 0.875 120 P HA -0.168 nan 4.420 nan 0.000 0.222 120 P C 1.169 178.489 177.300 0.034 0.000 1.147 120 P CA 1.479 64.600 63.100 0.035 0.000 0.790 120 P CB -0.060 31.657 31.700 0.029 0.000 0.780 121 E N -0.857 119.362 120.200 0.032 0.000 2.347 121 E HA -0.050 4.301 4.350 0.001 0.000 0.196 121 E C 0.463 177.084 176.600 0.034 0.000 1.008 121 E CA 0.282 56.700 56.400 0.029 0.000 0.852 121 E CB -0.761 28.953 29.700 0.023 0.000 0.783 121 E HN 0.218 nan 8.360 nan 0.000 0.505 122 N N 1.668 120.395 118.700 0.046 0.000 2.399 122 N HA 0.002 4.743 4.740 0.001 0.000 0.250 122 N C 1.049 176.595 175.510 0.061 0.000 1.272 122 N CA 0.995 54.083 53.050 0.064 0.000 0.928 122 N CB 1.191 39.741 38.487 0.105 0.000 1.158 122 N HN 0.256 nan 8.380 nan 0.000 0.463 123 T N -3.036 111.556 114.554 0.063 0.000 3.015 123 T HA 0.327 4.678 4.350 0.001 0.000 0.250 123 T C 0.842 175.557 174.700 0.025 0.000 1.057 123 T CA 0.337 62.463 62.100 0.044 0.000 1.066 123 T CB 0.416 69.312 68.868 0.046 0.000 0.959 123 T HN 0.335 nan 8.240 nan 0.000 0.488 124 M N 0.788 120.388 119.600 0.000 0.000 2.658 124 M HA 0.554 5.035 4.480 0.001 0.000 0.295 124 M C -2.943 173.211 176.300 -0.244 0.000 1.248 124 M CA -2.545 52.697 55.300 -0.097 0.000 0.843 124 M CB 2.448 34.991 32.600 -0.095 0.000 1.749 124 M HN -0.260 nan 8.290 nan 0.000 0.464 125 P HA 0.229 nan 4.420 nan 0.000 0.274 125 P C -1.416 175.645 177.300 -0.399 0.000 1.231 125 P CA 0.084 63.075 63.100 -0.181 0.000 0.790 125 P CB 0.530 32.173 31.700 -0.096 0.000 0.951 126 H N 0.947 120.034 119.070 0.027 0.000 2.990 126 H HA 0.473 5.030 4.556 0.001 0.000 0.343 126 H C -0.199 175.142 175.328 0.022 0.000 1.270 126 H CA -0.358 55.696 56.048 0.010 0.000 1.118 126 H CB 2.343 32.121 29.762 0.027 0.000 1.861 126 H HN 0.533 nan 8.280 nan 0.000 0.544 127 N N 0.384 119.197 118.700 0.188 0.000 3.449 127 N HA 0.354 5.095 4.740 0.001 0.000 0.312 127 N C -1.542 174.076 175.510 0.180 0.000 1.557 127 N CA -0.650 52.484 53.050 0.142 0.000 0.864 127 N CB 1.913 40.438 38.487 0.063 0.000 1.799 127 N HN 0.627 nan 8.380 nan 0.000 0.554 128 I N -0.501 120.109 120.570 0.067 0.000 2.692 128 I HA 0.347 4.518 4.170 0.001 0.000 0.293 128 I C -1.842 174.162 176.117 -0.189 0.000 1.200 128 I CA -0.486 60.770 61.300 -0.074 0.000 1.036 128 I CB 1.916 39.754 38.000 -0.269 0.000 1.258 128 I HN 0.591 nan 8.210 nan 0.000 0.421 129 D N 7.198 127.395 120.400 -0.340 0.000 2.440 129 D HA 0.316 4.957 4.640 0.001 0.000 0.239 129 D C -1.544 174.531 176.300 -0.375 0.000 1.084 129 D CA -0.083 53.725 54.000 -0.319 0.000 0.843 129 D CB 0.842 41.376 40.800 -0.443 0.000 1.097 129 D HN 0.183 nan 8.370 nan 0.000 0.531 130 F N 2.936 122.755 119.950 -0.218 0.000 2.371 130 F HA 0.252 4.780 4.527 0.001 0.000 0.363 130 F C 1.855 177.559 175.800 -0.159 0.000 1.122 130 F CA -0.456 57.392 58.000 -0.253 0.000 1.129 130 F CB 1.097 39.731 39.000 -0.610 0.000 1.173 130 F HN 0.519 nan 8.300 nan 0.000 0.489 131 H N 1.958 121.044 119.070 0.027 0.000 2.521 131 H HA -0.066 4.491 4.556 0.001 0.000 0.286 131 H C 1.812 177.031 175.328 -0.182 0.000 1.034 131 H CA 0.579 56.660 56.048 0.055 0.000 1.278 131 H CB 0.510 30.430 29.762 0.263 0.000 1.386 131 H HN 0.729 nan 8.280 nan 0.000 0.567 132 A N 0.919 123.505 122.820 -0.390 0.000 2.169 132 A HA 0.307 4.627 4.320 0.001 0.000 0.212 132 A C 1.335 178.501 177.584 -0.696 0.000 1.153 132 A CA 0.449 51.790 52.037 -1.159 0.000 0.756 132 A CB 0.034 18.503 19.000 -0.886 0.000 0.813 132 A HN 0.303 nan 8.150 nan 0.000 0.471 133 A N -0.820 121.594 122.820 -0.678 0.000 2.269 133 A HA 0.629 4.949 4.320 0.001 0.000 0.319 133 A C -0.042 177.371 177.584 -0.285 0.000 1.110 133 A CA -0.214 51.426 52.037 -0.663 0.000 0.847 133 A CB 0.472 18.776 19.000 -1.160 0.000 1.161 133 A HN 0.135 nan 8.150 nan 0.000 0.497 134 T N 0.713 115.170 114.554 -0.161 0.000 2.791 134 T HA 0.664 5.015 4.350 0.001 0.000 0.288 134 T C 0.101 174.775 174.700 -0.043 0.000 0.999 134 T CA 0.617 62.672 62.100 -0.076 0.000 0.952 134 T CB 0.791 69.638 68.868 -0.034 0.000 0.938 134 T HN 2.162 nan 8.240 nan 0.000 0.444 135 G N 2.029 110.807 108.800 -0.037 0.000 2.587 135 G HA2 0.405 4.366 3.960 0.001 0.000 0.686 135 G HA3 0.405 4.366 3.960 0.001 0.000 0.686 135 G C 0.173 175.066 174.900 -0.013 0.000 1.236 135 G CA -0.341 44.751 45.100 -0.014 0.000 0.820 135 G HN 1.745 nan 8.290 nan 0.000 0.645 136 A N -0.330 122.490 122.820 0.001 0.000 2.596 136 A HA 0.095 4.416 4.320 0.001 0.000 0.300 136 A C 1.447 179.032 177.584 0.001 0.000 1.495 136 A CA 1.677 53.718 52.037 0.007 0.000 0.769 136 A CB -1.850 17.160 19.000 0.017 0.000 1.047 136 A HN 2.548 nan 8.150 nan 0.000 0.436 137 L N -3.647 117.574 121.223 -0.003 0.000 3.678 137 L HA -0.270 4.071 4.340 0.001 0.000 0.425 137 L C 1.602 178.463 176.870 -0.016 0.000 1.240 137 L CA 0.795 55.634 54.840 -0.003 0.000 0.876 137 L CB -1.993 40.071 42.059 0.009 0.000 1.766 137 L HN 2.340 nan 8.230 nan 0.000 0.917 138 G N -1.650 107.130 108.800 -0.034 0.000 2.168 138 G HA2 0.007 3.968 3.960 0.001 0.000 0.263 138 G HA3 0.007 3.968 3.960 0.001 0.000 0.263 138 G C 1.137 176.011 174.900 -0.043 0.000 0.977 138 G CA 0.709 45.774 45.100 -0.059 0.000 0.659 138 G HN 1.873 nan 8.290 nan 0.000 0.533 139 G N -1.836 106.958 108.800 -0.011 0.000 2.231 139 G HA2 0.131 4.092 3.960 0.001 0.000 0.206 139 G HA3 0.131 4.092 3.960 0.001 0.000 0.206 139 G C 1.931 176.851 174.900 0.034 0.000 0.996 139 G CA 1.055 46.179 45.100 0.040 0.000 0.645 139 G HN 1.835 nan 8.290 nan 0.000 0.498 140 G N 0.851 109.652 108.800 0.001 0.000 2.450 140 G HA2 0.197 4.158 3.960 0.001 0.000 0.220 140 G HA3 0.197 4.158 3.960 0.001 0.000 0.220 140 G C 1.663 176.572 174.900 0.016 0.000 1.130 140 G CA 1.712 46.813 45.100 0.001 0.000 0.760 140 G HN 1.494 nan 8.290 nan 0.000 0.557 141 G N -0.087 108.724 108.800 0.017 0.000 2.848 141 G HA2 0.185 4.145 3.960 0.001 0.000 0.208 141 G HA3 0.185 4.145 3.960 0.001 0.000 0.208 141 G C 1.259 176.175 174.900 0.027 0.000 1.152 141 G CA 0.131 45.243 45.100 0.020 0.000 0.789 141 G HN 0.444 nan 8.290 nan 0.000 0.531 142 L N 0.377 121.621 121.223 0.037 0.000 2.966 142 L HA 0.211 4.552 4.340 0.001 0.000 0.262 142 L C 1.552 178.455 176.870 0.055 0.000 1.165 142 L CA 0.613 55.480 54.840 0.045 0.000 0.978 142 L CB 0.769 42.859 42.059 0.052 0.000 1.337 142 L HN 0.213 nan 8.230 nan 0.000 0.563 143 T N -3.165 111.423 114.554 0.056 0.000 3.231 143 T HA 0.228 4.579 4.350 0.001 0.000 0.292 143 T C 0.033 174.773 174.700 0.067 0.000 1.001 143 T CA -0.278 61.864 62.100 0.069 0.000 0.920 143 T CB 0.169 69.089 68.868 0.086 0.000 1.140 143 T HN -0.052 nan 8.240 nan 0.000 0.525 144 L N 3.886 125.137 121.223 0.047 0.000 2.456 144 L HA 0.501 4.842 4.340 0.001 0.000 0.277 144 L C -0.201 176.696 176.870 0.045 0.000 1.124 144 L CA -0.638 54.226 54.840 0.039 0.000 0.880 144 L CB -0.245 41.824 42.059 0.016 0.000 1.192 144 L HN 0.448 nan 8.230 nan 0.000 0.463 145 I N 2.016 122.624 120.570 0.064 0.000 2.465 145 I HA 0.567 4.738 4.170 0.001 0.000 0.291 145 I C -0.364 175.790 176.117 0.062 0.000 1.014 145 I CA -0.903 60.437 61.300 0.066 0.000 1.093 145 I CB 1.615 39.667 38.000 0.087 0.000 1.267 145 I HN 0.387 nan 8.210 nan 0.000 0.431 146 N N 4.993 123.720 118.700 0.045 0.000 2.434 146 N HA 0.424 5.165 4.740 0.001 0.000 0.266 146 N C -2.569 172.974 175.510 0.056 0.000 1.223 146 N CA -1.531 51.541 53.050 0.036 0.000 0.972 146 N CB 0.508 39.008 38.487 0.022 0.000 1.207 146 N HN 0.401 nan 8.380 nan 0.000 0.525 147 P HA 0.066 nan 4.420 nan 0.000 0.263 147 P C 0.613 177.942 177.300 0.048 0.000 1.195 147 P CA 0.877 64.014 63.100 0.062 0.000 0.762 147 P CB 0.215 31.946 31.700 0.052 0.000 0.799 148 G N 1.771 110.601 108.800 0.050 0.000 2.176 148 G HA2 -0.181 3.780 3.960 0.001 0.000 0.232 148 G HA3 -0.181 3.780 3.960 0.001 0.000 0.232 148 G C -0.085 174.839 174.900 0.040 0.000 0.986 148 G CA -0.366 44.758 45.100 0.040 0.000 0.643 148 G HN 0.532 nan 8.290 nan 0.000 0.522 149 E N -0.163 120.066 120.200 0.048 0.000 2.263 149 E HA 0.723 5.074 4.350 0.001 0.000 0.264 149 E C -0.297 176.336 176.600 0.056 0.000 0.923 149 E CA -0.826 55.602 56.400 0.047 0.000 0.802 149 E CB 1.680 31.408 29.700 0.046 0.000 1.228 149 E HN 0.247 nan 8.360 nan 0.000 0.417 150 K N 0.395 120.826 120.400 0.051 0.000 2.444 150 K HA 0.719 5.040 4.320 0.001 0.000 0.252 150 K C -1.536 175.098 176.600 0.056 0.000 0.993 150 K CA -0.881 55.440 56.287 0.057 0.000 0.847 150 K CB 2.740 35.269 32.500 0.048 0.000 1.340 150 K HN 0.200 nan 8.250 nan 0.000 0.446 151 V N 0.875 120.828 119.914 0.064 0.000 3.120 151 V HA 0.506 4.627 4.120 0.001 0.000 0.303 151 V C -1.934 174.202 176.094 0.069 0.000 1.238 151 V CA -0.656 61.682 62.300 0.064 0.000 1.008 151 V CB 2.343 34.209 31.823 0.072 0.000 1.064 151 V HN 0.469 nan 8.190 nan 0.000 0.434 152 V N 6.208 126.159 119.914 0.063 0.000 2.443 152 V HA 0.563 4.684 4.120 0.001 0.000 0.293 152 V C -0.608 175.530 176.094 0.073 0.000 1.021 152 V CA -0.517 61.821 62.300 0.064 0.000 0.848 152 V CB 1.412 33.259 31.823 0.040 0.000 0.998 152 V HN 0.773 nan 8.190 nan 0.000 0.424 153 L N 5.494 126.779 121.223 0.103 0.000 2.329 153 L HA 0.733 5.074 4.340 0.001 0.000 0.279 153 L C -0.267 176.669 176.870 0.109 0.000 1.014 153 L CA -0.153 54.763 54.840 0.127 0.000 0.814 153 L CB 1.483 43.659 42.059 0.196 0.000 1.257 153 L HN 0.723 nan 8.230 nan 0.000 0.424 154 R N 4.634 125.195 120.500 0.102 0.000 2.599 154 R HA 0.682 5.023 4.340 0.001 0.000 0.295 154 R C -1.880 174.513 176.300 0.156 0.000 0.963 154 R CA -0.536 55.597 56.100 0.054 0.000 0.883 154 R CB 1.312 31.627 30.300 0.025 0.000 1.171 154 R HN 0.680 nan 8.270 nan 0.000 0.450 155 F N 0.480 120.420 119.950 -0.017 0.000 2.645 155 F HA 0.482 5.010 4.527 0.001 0.000 0.310 155 F C -1.558 174.207 175.800 -0.058 0.000 1.102 155 F CA -1.231 56.744 58.000 -0.042 0.000 0.952 155 F CB 1.368 40.285 39.000 -0.138 0.000 1.326 155 F HN 0.339 nan 8.300 nan 0.000 0.456 156 K N 2.172 122.619 120.400 0.079 0.000 2.248 156 K HA 0.714 5.035 4.320 0.001 0.000 0.281 156 K C -0.415 176.142 176.600 -0.072 0.000 1.054 156 K CA -0.628 55.496 56.287 -0.272 0.000 0.903 156 K CB 1.360 33.653 32.500 -0.345 0.000 1.077 156 K HN 0.939 nan 8.250 nan 0.000 0.474 157 A N 3.928 126.625 122.820 -0.205 0.000 2.990 157 A HA 0.058 4.378 4.320 0.001 0.000 0.282 157 A C 1.049 178.596 177.584 -0.062 0.000 1.688 157 A CA -0.246 51.760 52.037 -0.052 0.000 1.391 157 A CB -0.762 18.184 19.000 -0.091 0.000 1.112 157 A HN 0.923 nan 8.150 nan 0.000 0.588 158 T N -1.195 113.332 114.554 -0.044 0.000 3.072 158 T HA 0.062 4.413 4.350 0.001 0.000 0.266 158 T C 0.743 175.473 174.700 0.051 0.000 1.127 158 T CA 0.611 62.700 62.100 -0.017 0.000 1.107 158 T CB -0.119 68.739 68.868 -0.016 0.000 0.910 158 T HN 0.583 nan 8.240 nan 0.000 0.513 159 R N 0.693 121.234 120.500 0.069 0.000 2.513 159 R HA 0.717 5.057 4.340 0.001 0.000 0.301 159 R C -0.793 175.673 176.300 0.276 0.000 0.968 159 R CA -0.712 55.502 56.100 0.189 0.000 0.872 159 R CB 1.871 32.308 30.300 0.227 0.000 1.177 159 R HN 0.238 nan 8.270 nan 0.000 0.444 160 A N 1.804 124.768 122.820 0.239 0.000 2.388 160 A HA 0.745 5.065 4.320 0.001 0.000 0.257 160 A C 0.399 177.979 177.584 -0.008 0.000 1.095 160 A CA 0.524 52.648 52.037 0.146 0.000 0.791 160 A CB 0.543 19.501 19.000 -0.070 0.000 1.029 160 A HN 0.892 nan 8.150 nan 0.000 0.489 161 G N -0.868 107.840 108.800 -0.153 0.000 2.359 161 G HA2 0.583 4.544 3.960 0.001 0.000 0.314 161 G HA3 0.583 4.544 3.960 0.001 0.000 0.314 161 G C -0.572 173.899 174.900 -0.715 0.000 1.364 161 G CA -0.136 44.322 45.100 -1.069 0.000 0.978 161 G HN 1.931 nan 8.290 nan 0.000 0.615 162 A N -0.325 121.943 122.820 -0.919 0.000 2.301 162 A HA 0.883 5.204 4.320 0.001 0.000 0.298 162 A C -0.879 176.404 177.584 -0.502 0.000 1.185 162 A CA -0.160 51.634 52.037 -0.406 0.000 0.830 162 A CB 0.182 19.014 19.000 -0.280 0.000 1.112 162 A HN 1.068 nan 8.150 nan 0.000 0.508 163 F N 1.070 120.966 119.950 -0.090 0.000 2.588 163 F HA 0.502 5.029 4.527 0.001 0.000 0.314 163 F C 0.177 175.947 175.800 -0.051 0.000 1.069 163 F CA -0.802 57.191 58.000 -0.012 0.000 0.931 163 F CB 2.060 41.101 39.000 0.069 0.000 1.260 163 F HN 0.324 nan 8.300 nan 0.000 0.465 164 V N 2.217 122.190 119.914 0.098 0.000 2.686 164 V HA 0.283 4.404 4.120 0.001 0.000 0.295 164 V C -0.961 175.008 176.094 -0.208 0.000 1.057 164 V CA -0.502 61.704 62.300 -0.157 0.000 1.012 164 V CB 1.136 32.799 31.823 -0.267 0.000 1.006 164 V HN 0.625 nan 8.190 nan 0.000 0.477 165 Y N 2.833 122.990 120.300 -0.240 0.000 2.462 165 Y HA 0.882 5.432 4.550 0.001 0.000 0.346 165 Y C -0.606 175.128 175.900 -0.277 0.000 0.976 165 Y CA -1.552 56.272 58.100 -0.461 0.000 1.044 165 Y CB 1.238 39.220 38.460 -0.795 0.000 1.230 165 Y HN 0.877 nan 8.280 nan 0.000 0.455 166 H N 0.347 119.401 119.070 -0.026 0.000 3.003 166 H HA 0.532 5.089 4.556 0.001 0.000 0.327 166 H C -1.517 173.971 175.328 0.266 0.000 1.353 166 H CA -1.494 54.667 56.048 0.189 0.000 1.142 166 H CB 0.834 30.633 29.762 0.062 0.000 1.864 166 H HN 1.101 nan 8.280 nan 0.000 0.529 167 C N 1.542 121.159 119.300 0.528 0.000 2.605 167 C HA 0.802 5.263 4.460 0.001 0.000 0.404 167 C C 0.571 175.742 174.990 0.300 0.000 1.284 167 C CA 0.726 59.948 59.018 0.340 0.000 2.199 167 C CB -0.788 27.097 27.740 0.241 0.000 2.647 167 C HN 1.026 nan 8.230 nan 0.000 0.604 168 A N 6.118 129.010 122.820 0.119 0.000 3.200 168 A HA 0.439 4.760 4.320 0.001 0.000 0.274 168 A C -1.921 175.658 177.584 -0.008 0.000 1.220 168 A CA -0.458 51.640 52.037 0.102 0.000 0.904 168 A CB 0.079 19.176 19.000 0.162 0.000 1.415 168 A HN 0.616 nan 8.150 nan 0.000 0.630 169 P HA 0.094 nan 4.420 nan 0.000 0.218 169 P C 0.919 178.180 177.300 -0.064 0.000 1.148 169 P CA 2.248 65.261 63.100 -0.146 0.000 0.822 169 P CB 0.275 31.773 31.700 -0.337 0.000 0.784 170 G N -3.516 105.265 108.800 -0.031 0.000 2.348 170 G HA2 0.403 4.364 3.960 0.001 0.000 0.606 170 G HA3 0.403 4.364 3.960 0.001 0.000 0.606 170 G C 0.078 174.990 174.900 0.021 0.000 1.466 170 G CA -0.298 44.805 45.100 0.004 0.000 0.950 170 G HN 0.395 nan 8.290 nan 0.000 0.657 171 G N 1.527 110.347 108.800 0.033 0.000 2.594 171 G HA2 -0.100 3.861 3.960 0.001 0.000 0.297 171 G HA3 -0.100 3.861 3.960 0.001 0.000 0.297 171 G C -0.490 174.452 174.900 0.071 0.000 1.273 171 G CA 1.084 46.209 45.100 0.042 0.000 0.974 171 G HN 1.182 nan 8.290 nan 0.000 0.552 172 P HA -0.049 nan 4.420 nan 0.000 0.221 172 P C 2.226 179.657 177.300 0.219 0.000 1.145 172 P CA 1.977 65.158 63.100 0.136 0.000 0.795 172 P CB -0.019 31.760 31.700 0.132 0.000 0.775 173 M N -1.768 117.938 119.600 0.177 0.000 2.279 173 M HA -0.084 4.397 4.480 0.001 0.000 0.264 173 M C 1.994 178.458 176.300 0.273 0.000 1.062 173 M CA 1.285 56.760 55.300 0.293 0.000 1.099 173 M CB -1.218 31.429 32.600 0.078 0.000 1.394 173 M HN 0.035 nan 8.290 nan 0.000 0.426 174 I N 0.979 121.648 120.570 0.164 0.000 2.076 174 I HA -0.266 3.905 4.170 0.001 0.000 0.237 174 I C -0.304 175.933 176.117 0.200 0.000 1.059 174 I CA 1.830 63.226 61.300 0.159 0.000 1.317 174 I CB -2.129 35.952 38.000 0.134 0.000 1.037 174 I HN 0.159 nan 8.210 nan 0.000 0.398 175 P HA -0.220 nan 4.420 nan 0.000 0.217 175 P C 1.451 178.907 177.300 0.260 0.000 1.150 175 P CA 1.622 64.817 63.100 0.158 0.000 0.832 175 P CB -0.271 31.490 31.700 0.102 0.000 0.787 176 W N 1.446 122.843 121.300 0.162 0.000 2.335 176 W HA -0.170 4.491 4.660 0.002 0.000 0.311 176 W C 2.539 179.173 176.519 0.192 0.000 1.213 176 W CA 1.653 59.117 57.345 0.199 0.000 1.274 176 W CB -1.397 28.253 29.460 0.315 0.000 1.148 176 W HN 0.076 nan 8.180 nan 0.000 0.498 177 H N -1.210 117.855 119.070 -0.009 0.000 2.353 177 H HA -0.150 4.407 4.556 0.001 0.000 0.300 177 H C 2.185 177.460 175.328 -0.087 0.000 1.090 177 H CA 2.008 57.943 56.048 -0.187 0.000 1.327 177 H CB -0.446 29.291 29.762 -0.041 0.000 1.383 177 H HN 0.023 nan 8.280 nan 0.000 0.508 178 V N 1.249 121.248 119.914 0.142 0.000 2.295 178 V HA -0.207 3.914 4.120 0.001 0.000 0.246 178 V C 2.742 178.878 176.094 0.070 0.000 1.049 178 V CA 1.742 64.092 62.300 0.083 0.000 1.024 178 V CB -0.532 31.297 31.823 0.010 0.000 0.648 178 V HN 0.391 nan 8.190 nan 0.000 0.447 179 V N -2.753 117.225 119.914 0.107 0.000 3.444 179 V HA 0.026 4.147 4.120 0.001 0.000 0.271 179 V C 1.730 177.966 176.094 0.236 0.000 1.188 179 V CA 1.652 64.065 62.300 0.188 0.000 1.168 179 V CB -0.290 31.715 31.823 0.303 0.000 0.810 179 V HN 0.420 nan 8.190 nan 0.000 0.500 180 S N 0.414 116.130 115.700 0.026 0.000 2.556 180 S HA 0.494 4.965 4.470 0.001 0.000 0.216 180 S C 1.559 176.121 174.600 -0.063 0.000 0.970 180 S CA 0.731 58.868 58.200 -0.104 0.000 0.912 180 S CB 0.502 63.423 63.200 -0.466 0.000 0.790 180 S HN 1.240 nan 8.310 nan 0.000 0.504 181 G N 1.325 110.154 108.800 0.049 0.000 2.192 181 G HA2 -0.174 3.786 3.960 0.001 0.000 0.193 181 G HA3 -0.174 3.786 3.960 0.001 0.000 0.193 181 G C 0.163 175.067 174.900 0.006 0.000 0.999 181 G CA -0.477 44.658 45.100 0.058 0.000 0.659 181 G HN 0.414 nan 8.290 nan 0.000 0.503 182 M N 1.472 121.049 119.600 -0.039 0.000 3.213 182 M HA 0.550 5.031 4.480 0.001 0.000 0.275 182 M C 0.331 176.802 176.300 0.284 0.000 1.424 182 M CA 0.733 55.989 55.300 -0.074 0.000 1.561 182 M CB 0.226 32.652 32.600 -0.291 0.000 1.109 182 M HN 0.686 nan 8.290 nan 0.000 0.552 183 A N 0.896 123.914 122.820 0.330 0.000 2.566 183 A HA 0.906 5.227 4.320 0.001 0.000 0.297 183 A C -0.571 176.976 177.584 -0.063 0.000 1.059 183 A CA -0.481 51.673 52.037 0.195 0.000 0.691 183 A CB 1.375 20.419 19.000 0.075 0.000 1.282 183 A HN 0.668 nan 8.150 nan 0.000 0.401 184 G N -1.105 107.268 108.800 -0.711 0.000 2.947 184 G HA2 0.661 4.621 3.960 0.001 0.000 0.293 184 G HA3 0.661 4.621 3.960 0.001 0.000 0.293 184 G C -1.107 173.180 174.900 -1.021 0.000 1.243 184 G CA 0.136 44.674 45.100 -0.937 0.000 0.802 184 G HN 2.022 nan 8.290 nan 0.000 0.560 185 C N -0.433 118.374 119.300 -0.822 0.000 2.985 185 C HA 0.821 5.282 4.460 0.001 0.000 0.314 185 C C -1.156 173.751 174.990 -0.138 0.000 1.215 185 C CA -0.710 58.031 59.018 -0.460 0.000 1.414 185 C CB 0.490 27.832 27.740 -0.664 0.000 1.842 185 C HN 0.851 nan 8.230 nan 0.000 0.477 186 I N 6.114 126.727 120.570 0.072 0.000 2.466 186 I HA 0.551 4.722 4.170 0.001 0.000 0.289 186 I C -0.720 175.445 176.117 0.079 0.000 1.026 186 I CA -0.644 60.718 61.300 0.102 0.000 1.078 186 I CB 1.500 39.657 38.000 0.263 0.000 1.249 186 I HN 0.919 nan 8.210 nan 0.000 0.429 187 M N 8.422 128.006 119.600 -0.028 0.000 2.149 187 M HA 0.471 4.952 4.480 0.001 0.000 0.342 187 M C -1.745 174.582 176.300 0.044 0.000 1.068 187 M CA -0.591 54.716 55.300 0.012 0.000 0.991 187 M CB 1.300 33.850 32.600 -0.083 0.000 1.596 187 M HN 0.413 nan 8.290 nan 0.000 0.439 188 V N 7.189 127.202 119.914 0.165 0.000 2.294 188 V HA 0.336 4.457 4.120 0.001 0.000 0.272 188 V C -0.037 176.158 176.094 0.168 0.000 1.027 188 V CA -0.589 61.788 62.300 0.130 0.000 0.823 188 V CB 0.697 32.639 31.823 0.198 0.000 1.030 188 V HN 0.832 nan 8.190 nan 0.000 0.457 189 L N 6.904 128.125 121.223 -0.004 0.000 2.395 189 L HA 0.412 4.752 4.340 0.001 0.000 0.269 189 L C -2.186 174.729 176.870 0.075 0.000 1.133 189 L CA -1.722 53.098 54.840 -0.034 0.000 0.812 189 L CB 1.156 43.098 42.059 -0.195 0.000 1.125 189 L HN 0.352 nan 8.230 nan 0.000 0.452 190 P HA 0.097 nan 4.420 nan 0.000 0.269 190 P C 0.057 177.465 177.300 0.179 0.000 1.209 190 P CA -0.196 62.955 63.100 0.085 0.000 0.776 190 P CB 0.520 32.224 31.700 0.006 0.000 0.876 191 R N 1.368 121.966 120.500 0.164 0.000 2.159 191 R HA -0.166 4.175 4.340 0.001 0.000 0.237 191 R C 0.775 177.086 176.300 0.017 0.000 1.131 191 R CA 1.512 57.661 56.100 0.082 0.000 0.982 191 R CB -0.401 29.919 30.300 0.032 0.000 0.868 191 R HN 0.540 nan 8.270 nan 0.000 0.453 192 D N -0.301 120.125 120.400 0.044 0.000 2.395 192 D HA 0.153 4.794 4.640 0.001 0.000 0.226 192 D C 0.153 176.456 176.300 0.005 0.000 1.146 192 D CA 0.503 54.511 54.000 0.014 0.000 0.830 192 D CB 0.306 41.121 40.800 0.025 0.000 0.958 192 D HN 0.333 nan 8.370 nan 0.000 0.501 193 G N -0.065 108.744 108.800 0.015 0.000 2.828 193 G HA2 -0.235 3.726 3.960 0.001 0.000 0.463 193 G HA3 -0.235 3.726 3.960 0.001 0.000 0.463 193 G C -0.347 174.496 174.900 -0.095 0.000 1.394 193 G CA -0.482 44.593 45.100 -0.041 0.000 0.862 193 G HN 0.262 nan 8.290 nan 0.000 0.540 194 L N 0.363 121.481 121.223 -0.174 0.000 2.452 194 L HA 0.468 4.808 4.340 0.001 0.000 0.267 194 L C 0.674 177.545 176.870 0.000 0.000 1.188 194 L CA -0.194 54.523 54.840 -0.205 0.000 0.821 194 L CB 0.539 42.429 42.059 -0.282 0.000 1.102 194 L HN 0.461 nan 8.230 nan 0.000 0.470 195 K N 1.430 121.901 120.400 0.119 0.000 2.435 195 K HA 0.339 4.660 4.320 0.001 0.000 0.251 195 K C -0.906 175.882 176.600 0.314 0.000 0.954 195 K CA -0.781 55.611 56.287 0.175 0.000 0.820 195 K CB 2.233 34.822 32.500 0.148 0.000 1.292 195 K HN 0.600 nan 8.250 nan 0.000 0.436 196 D N 0.225 120.745 120.400 0.200 0.000 2.511 196 D HA 0.002 4.643 4.640 0.001 0.000 0.276 196 D C 1.156 177.550 176.300 0.156 0.000 1.220 196 D CA 0.113 54.231 54.000 0.197 0.000 1.077 196 D CB 0.104 40.986 40.800 0.138 0.000 1.126 196 D HN 0.619 nan 8.370 nan 0.000 0.583 197 H N -1.128 117.944 119.070 0.004 0.000 2.518 197 H HA -0.001 4.555 4.556 0.001 0.000 0.289 197 H C 0.454 175.797 175.328 0.026 0.000 1.051 197 H CA 1.137 57.189 56.048 0.007 0.000 1.280 197 H CB -0.264 29.472 29.762 -0.042 0.000 1.380 197 H HN 0.565 nan 8.280 nan 0.000 0.566 198 E N -0.091 119.855 120.200 -0.423 0.000 2.481 198 E HA 0.213 4.564 4.350 0.001 0.000 0.198 198 E C 0.865 177.400 176.600 -0.109 0.000 1.027 198 E CA 0.177 56.408 56.400 -0.282 0.000 0.900 198 E CB 0.668 30.137 29.700 -0.385 0.000 0.993 198 E HN 0.674 nan 8.360 nan 0.000 0.482 199 G N 2.375 111.150 108.800 -0.042 0.000 2.157 199 G HA2 -0.288 3.672 3.960 0.001 0.000 0.248 199 G HA3 -0.288 3.672 3.960 0.001 0.000 0.248 199 G C 0.061 174.964 174.900 0.006 0.000 0.979 199 G CA -0.054 45.056 45.100 0.016 0.000 0.650 199 G HN 0.122 nan 8.290 nan 0.000 0.529 200 K N 0.995 121.382 120.400 -0.022 0.000 2.249 200 K HA 0.403 4.724 4.320 0.001 0.000 0.280 200 K C -2.528 174.082 176.600 0.017 0.000 1.033 200 K CA -1.711 54.567 56.287 -0.015 0.000 0.946 200 K CB 0.973 33.449 32.500 -0.040 0.000 1.005 200 K HN 0.030 nan 8.250 nan 0.000 0.469 201 P HA -0.035 nan 4.420 nan 0.000 0.268 201 P C -0.915 176.393 177.300 0.013 0.000 1.204 201 P CA -0.296 62.810 63.100 0.009 0.000 0.768 201 P CB 0.670 32.363 31.700 -0.011 0.000 0.842 202 V N 1.538 121.468 119.914 0.027 0.000 2.735 202 V HA 0.739 4.860 4.120 0.001 0.000 0.310 202 V C -0.449 175.635 176.094 -0.017 0.000 1.061 202 V CA -0.975 61.348 62.300 0.039 0.000 0.913 202 V CB 2.347 34.246 31.823 0.127 0.000 1.005 202 V HN 0.437 nan 8.190 nan 0.000 0.428 203 R N 2.597 123.072 120.500 -0.041 0.000 2.744 203 R HA 0.685 5.026 4.340 0.001 0.000 0.279 203 R C -1.672 174.580 176.300 -0.080 0.000 0.977 203 R CA -0.690 55.314 56.100 -0.160 0.000 0.906 203 R CB 2.435 32.629 30.300 -0.176 0.000 1.197 203 R HN 0.961 nan 8.270 nan 0.000 0.463 204 Y N -0.058 120.220 120.300 -0.038 0.000 2.549 204 Y HA 0.485 5.035 4.550 0.001 0.000 0.339 204 Y C -0.100 175.764 175.900 -0.059 0.000 1.053 204 Y CA -0.952 57.121 58.100 -0.044 0.000 1.105 204 Y CB 1.460 39.888 38.460 -0.053 0.000 1.258 204 Y HN 0.470 nan 8.280 nan 0.000 0.478 205 D N 0.322 120.821 120.400 0.164 0.000 2.338 205 D HA 0.099 4.740 4.640 0.001 0.000 0.208 205 D C -0.261 176.091 176.300 0.086 0.000 0.997 205 D CA 0.988 55.030 54.000 0.071 0.000 0.880 205 D CB 0.658 41.478 40.800 0.033 0.000 0.980 205 D HN 0.641 nan 8.370 nan 0.000 0.509 206 T N 0.362 114.953 114.554 0.060 0.000 2.923 206 T HA 0.412 4.763 4.350 0.001 0.000 0.311 206 T C -0.621 173.863 174.700 -0.361 0.000 1.183 206 T CA -0.569 61.438 62.100 -0.156 0.000 1.020 206 T CB 3.140 71.797 68.868 -0.351 0.000 1.165 206 T HN -0.335 nan 8.240 nan 0.000 0.482 207 V N 2.834 122.491 119.914 -0.428 0.000 2.495 207 V HA 0.528 4.649 4.120 0.001 0.000 0.298 207 V C -1.441 174.363 176.094 -0.484 0.000 1.031 207 V CA -0.765 61.229 62.300 -0.510 0.000 0.871 207 V CB 1.265 32.841 31.823 -0.411 0.000 0.988 207 V HN 0.803 nan 8.190 nan 0.000 0.432 208 Y N 4.076 124.164 120.300 -0.354 0.000 2.326 208 Y HA 0.436 4.987 4.550 0.001 0.000 0.331 208 Y C -0.469 175.319 175.900 -0.186 0.000 0.962 208 Y CA -1.343 56.553 58.100 -0.341 0.000 1.167 208 Y CB 1.470 39.647 38.460 -0.471 0.000 1.148 208 Y HN 0.656 nan 8.280 nan 0.000 0.463 209 Y N 5.512 125.748 120.300 -0.107 0.000 2.477 209 Y HA 0.445 4.996 4.550 0.001 0.000 0.349 209 Y C -0.950 174.836 175.900 -0.190 0.000 0.977 209 Y CA -1.832 56.192 58.100 -0.128 0.000 1.214 209 Y CB 0.304 38.700 38.460 -0.107 0.000 1.124 209 Y HN 0.373 nan 8.280 nan 0.000 0.521 210 I N 6.720 127.097 120.570 -0.322 0.000 2.287 210 I HA 0.255 4.426 4.170 0.001 0.000 0.290 210 I C 0.796 176.424 176.117 -0.815 0.000 1.069 210 I CA -0.441 60.461 61.300 -0.662 0.000 1.237 210 I CB 0.449 37.989 38.000 -0.766 0.000 1.418 210 I HN 0.847 nan 8.210 nan 0.000 0.481 211 G N 5.704 113.972 108.800 -0.887 0.000 2.350 211 G HA2 0.295 4.256 3.960 0.001 0.000 0.306 211 G HA3 0.295 4.256 3.960 0.001 0.000 0.306 211 G C -0.134 174.614 174.900 -0.252 0.000 1.094 211 G CA -0.386 44.347 45.100 -0.611 0.000 0.953 211 G HN 0.647 nan 8.290 nan 0.000 0.420 212 E N 1.641 121.758 120.200 -0.137 0.000 2.227 212 E HA 0.492 4.842 4.350 0.001 0.000 0.282 212 E C -0.164 176.454 176.600 0.029 0.000 1.015 212 E CA -0.507 55.968 56.400 0.126 0.000 0.823 212 E CB 0.817 30.716 29.700 0.333 0.000 1.081 212 E HN 0.472 nan 8.360 nan 0.000 0.396 213 S N 3.513 119.200 115.700 -0.022 0.000 2.538 213 S HA 0.336 4.807 4.470 0.001 0.000 0.288 213 S C -1.025 173.310 174.600 -0.441 0.000 1.108 213 S CA -1.165 56.923 58.200 -0.187 0.000 0.971 213 S CB 1.408 64.539 63.200 -0.115 0.000 1.041 213 S HN 0.508 nan 8.310 nan 0.000 0.483 214 D N 1.697 121.823 120.400 -0.456 0.000 2.177 214 D HA 0.395 5.036 4.640 0.001 0.000 0.247 214 D C -0.613 175.275 176.300 -0.687 0.000 1.063 214 D CA -0.303 53.419 54.000 -0.464 0.000 0.867 214 D CB 0.640 41.331 40.800 -0.182 0.000 1.168 214 D HN 0.642 nan 8.370 nan 0.000 0.445 215 H N 0.966 119.876 119.070 -0.266 0.000 2.797 215 H HA 0.272 4.829 4.556 0.001 0.000 0.372 215 H C -0.892 174.157 175.328 -0.465 0.000 1.168 215 H CA -0.610 55.343 56.048 -0.159 0.000 1.163 215 H CB 1.550 31.270 29.762 -0.071 0.000 1.778 215 H HN 0.426 nan 8.280 nan 0.000 0.551 216 Y N 1.309 121.738 120.300 0.214 0.000 2.658 216 Y HA 0.197 4.748 4.550 0.001 0.000 0.362 216 Y C -0.013 176.006 175.900 0.198 0.000 1.017 216 Y CA -0.618 57.587 58.100 0.175 0.000 1.134 216 Y CB 0.354 38.892 38.460 0.128 0.000 1.144 216 Y HN 0.334 nan 8.280 nan 0.000 0.655 217 I N 3.490 124.222 120.570 0.270 0.000 2.471 217 I HA 0.195 4.366 4.170 0.001 0.000 0.286 217 I C -2.248 174.113 176.117 0.407 0.000 1.079 217 I CA -3.065 58.413 61.300 0.297 0.000 1.398 217 I CB 0.399 38.477 38.000 0.130 0.000 1.403 217 I HN 0.179 nan 8.210 nan 0.000 0.530 218 P HA 0.126 nan 4.420 nan 0.000 0.266 218 P C -0.559 176.928 177.300 0.312 0.000 1.195 218 P CA 0.083 63.382 63.100 0.331 0.000 0.768 218 P CB 0.628 32.554 31.700 0.376 0.000 0.838 219 K N 2.093 122.597 120.400 0.172 0.000 2.259 219 K HA 0.360 4.681 4.320 0.001 0.000 0.249 219 K C -0.346 176.247 176.600 -0.010 0.000 0.942 219 K CA -0.849 55.444 56.287 0.010 0.000 0.816 219 K CB 1.437 33.883 32.500 -0.089 0.000 1.155 219 K HN 0.395 nan 8.250 nan 0.000 0.428 220 D N 1.343 121.706 120.400 -0.063 0.000 2.398 220 D HA -0.038 4.602 4.640 0.001 0.000 0.247 220 D C 1.033 177.301 176.300 -0.054 0.000 1.227 220 D CA 0.017 53.990 54.000 -0.044 0.000 0.980 220 D CB 0.894 41.660 40.800 -0.057 0.000 1.106 220 D HN 0.626 nan 8.370 nan 0.000 0.493 221 E N -0.034 120.143 120.200 -0.038 0.000 2.204 221 E HA -0.207 4.144 4.350 0.001 0.000 0.195 221 E C 0.508 177.077 176.600 -0.051 0.000 0.990 221 E CA 1.046 57.425 56.400 -0.036 0.000 0.821 221 E CB 0.161 29.846 29.700 -0.024 0.000 0.750 221 E HN 0.384 nan 8.360 nan 0.000 0.477 222 D N -1.562 118.801 120.400 -0.063 0.000 2.328 222 D HA 0.059 4.699 4.640 0.001 0.000 0.226 222 D C 1.234 177.471 176.300 -0.106 0.000 1.066 222 D CA 0.752 54.709 54.000 -0.071 0.000 0.861 222 D CB 0.315 41.078 40.800 -0.061 0.000 0.912 222 D HN 0.296 nan 8.370 nan 0.000 0.521 223 G N -0.009 108.704 108.800 -0.145 0.000 2.217 223 G HA2 -0.279 3.681 3.960 0.001 0.000 0.246 223 G HA3 -0.279 3.681 3.960 0.001 0.000 0.246 223 G C 0.562 175.208 174.900 -0.423 0.000 0.990 223 G CA 0.369 45.328 45.100 -0.235 0.000 0.627 223 G HN 0.776 nan 8.290 nan 0.000 0.522 224 T N -0.842 113.529 114.554 -0.305 0.000 2.860 224 T HA 0.563 4.913 4.350 0.001 0.000 0.299 224 T C 0.193 174.658 174.700 -0.392 0.000 1.045 224 T CA -0.255 61.656 62.100 -0.314 0.000 1.071 224 T CB 1.360 70.156 68.868 -0.120 0.000 0.985 224 T HN 0.304 nan 8.240 nan 0.000 0.537 225 Y N 0.624 120.955 120.300 0.051 0.000 2.320 225 Y HA 0.465 5.016 4.550 0.001 0.000 0.324 225 Y C 0.926 176.837 175.900 0.018 0.000 1.190 225 Y CA -1.216 56.926 58.100 0.069 0.000 1.215 225 Y CB 0.965 39.496 38.460 0.118 0.000 1.221 225 Y HN 0.524 nan 8.280 nan 0.000 0.486 226 M N 3.337 123.033 119.600 0.161 0.000 2.288 226 M HA 0.469 4.949 4.480 0.001 0.000 0.334 226 M C -0.378 175.781 176.300 -0.235 0.000 1.150 226 M CA -0.088 55.147 55.300 -0.108 0.000 1.118 226 M CB 0.996 33.489 32.600 -0.179 0.000 1.501 226 M HN 0.556 nan 8.290 nan 0.000 0.462 227 R N 1.229 121.428 120.500 -0.502 0.000 2.740 227 R HA 0.756 5.097 4.340 0.001 0.000 0.282 227 R C -1.584 174.281 176.300 -0.726 0.000 0.969 227 R CA -0.547 55.316 56.100 -0.394 0.000 0.918 227 R CB 1.811 31.979 30.300 -0.219 0.000 1.175 227 R HN 0.463 nan 8.270 nan 0.000 0.464 228 F N -1.028 118.945 119.950 0.039 0.000 2.640 228 F HA 0.227 4.755 4.527 0.001 0.000 0.324 228 F C 1.484 177.298 175.800 0.024 0.000 1.077 228 F CA -0.826 57.199 58.000 0.041 0.000 0.965 228 F CB 1.874 40.920 39.000 0.075 0.000 1.351 228 F HN 0.565 nan 8.300 nan 0.000 0.487 229 S N -1.128 114.707 115.700 0.224 0.000 2.436 229 S HA 0.100 4.570 4.470 0.001 0.000 0.228 229 S C -0.287 174.385 174.600 0.119 0.000 1.014 229 S CA 1.045 59.318 58.200 0.121 0.000 0.950 229 S CB -0.806 62.449 63.200 0.092 0.000 0.784 229 S HN 0.755 nan 8.310 nan 0.000 0.504 230 D N -1.666 118.829 120.400 0.160 0.000 2.639 230 D HA 0.422 5.062 4.640 0.001 0.000 0.271 230 D C -2.857 173.533 176.300 0.151 0.000 1.254 230 D CA -1.705 52.369 54.000 0.124 0.000 0.810 230 D CB 0.529 41.386 40.800 0.094 0.000 1.351 230 D HN -0.251 nan 8.370 nan 0.000 0.427 231 P HA -0.159 nan 4.420 nan 0.000 0.214 231 P C 1.165 178.706 177.300 0.401 0.000 1.163 231 P CA 1.531 64.774 63.100 0.239 0.000 0.889 231 P CB 0.060 31.805 31.700 0.074 0.000 0.790 232 S N -0.481 115.401 115.700 0.304 0.000 2.374 232 S HA -0.251 4.220 4.470 0.001 0.000 0.227 232 S C 1.953 176.575 174.600 0.035 0.000 1.037 232 S CA 1.419 59.714 58.200 0.158 0.000 1.024 232 S CB -0.960 62.292 63.200 0.087 0.000 0.861 232 S HN 0.349 nan 8.310 nan 0.000 0.456 233 E N 0.531 120.755 120.200 0.040 0.000 2.118 233 E HA -0.137 4.214 4.350 0.001 0.000 0.195 233 E C 1.855 178.306 176.600 -0.249 0.000 0.992 233 E CA 1.120 57.520 56.400 -0.000 0.000 0.804 233 E CB -0.287 29.493 29.700 0.134 0.000 0.741 233 E HN 0.538 nan 8.360 nan 0.000 0.458 234 G N -0.689 107.771 108.800 -0.566 0.000 3.042 234 G HA2 -0.168 3.793 3.960 0.001 0.000 0.212 234 G HA3 -0.168 3.793 3.960 0.001 0.000 0.212 234 G C 0.961 175.516 174.900 -0.575 0.000 1.166 234 G CA 0.013 44.279 45.100 -1.390 0.000 0.767 234 G HN 0.283 nan 8.290 nan 0.000 0.546 235 Y N 2.127 122.166 120.300 -0.435 0.000 2.053 235 Y HA -0.256 4.295 4.550 0.001 0.000 0.277 235 Y C 2.578 178.226 175.900 -0.419 0.000 1.159 235 Y CA 2.420 60.179 58.100 -0.569 0.000 1.125 235 Y CB -0.171 37.784 38.460 -0.842 0.000 0.969 235 Y HN 0.326 nan 8.280 nan 0.000 0.492 236 E N 0.245 120.203 120.200 -0.404 0.000 2.070 236 E HA -0.230 4.120 4.350 0.001 0.000 0.197 236 E C 1.934 178.351 176.600 -0.304 0.000 1.004 236 E CA 1.788 57.964 56.400 -0.372 0.000 0.805 236 E CB -0.333 29.278 29.700 -0.147 0.000 0.744 236 E HN 0.548 nan 8.360 nan 0.000 0.451 237 D N -0.197 120.076 120.400 -0.211 0.000 2.144 237 D HA -0.126 4.515 4.640 0.001 0.000 0.200 237 D C 1.922 178.177 176.300 -0.075 0.000 0.978 237 D CA 0.823 54.779 54.000 -0.073 0.000 0.833 237 D CB -0.154 40.703 40.800 0.097 0.000 0.961 237 D HN 0.189 nan 8.370 nan 0.000 0.470 238 M N 0.584 120.091 119.600 -0.154 0.000 2.175 238 M HA -0.140 4.340 4.480 0.001 0.000 0.264 238 M C 1.999 178.219 176.300 -0.134 0.000 1.063 238 M CA 0.951 56.223 55.300 -0.046 0.000 1.119 238 M CB 0.147 32.769 32.600 0.037 0.000 1.377 238 M HN -0.192 nan 8.290 nan 0.000 0.415 239 V N 0.886 120.576 119.914 -0.375 0.000 2.332 239 V HA -0.281 3.839 4.120 0.001 0.000 0.248 239 V C 2.661 178.637 176.094 -0.197 0.000 1.055 239 V CA 1.955 64.029 62.300 -0.377 0.000 1.038 239 V CB -1.411 30.058 31.823 -0.590 0.000 0.651 239 V HN 0.661 nan 8.190 nan 0.000 0.450 240 A N -0.270 122.463 122.820 -0.145 0.000 1.940 240 A HA -0.165 4.156 4.320 0.001 0.000 0.219 240 A C 2.358 179.935 177.584 -0.011 0.000 1.176 240 A CA 2.193 54.190 52.037 -0.066 0.000 0.631 240 A CB -0.599 18.379 19.000 -0.037 0.000 0.814 240 A HN 0.377 nan 8.150 nan 0.000 0.446 241 V N -0.360 119.574 119.914 0.034 0.000 2.379 241 V HA -0.279 3.842 4.120 0.001 0.000 0.245 241 V C 2.584 178.743 176.094 0.108 0.000 1.044 241 V CA 2.069 64.448 62.300 0.132 0.000 1.036 241 V CB -0.794 31.176 31.823 0.244 0.000 0.664 241 V HN 0.559 nan 8.190 nan 0.000 0.453 242 M N 0.001 119.563 119.600 -0.062 0.000 2.149 242 M HA -0.220 4.261 4.480 0.001 0.000 0.261 242 M C 1.888 178.062 176.300 -0.210 0.000 1.064 242 M CA 1.839 56.913 55.300 -0.376 0.000 1.102 242 M CB -0.645 31.732 32.600 -0.372 0.000 1.369 242 M HN 0.299 nan 8.290 nan 0.000 0.408 243 D N -0.214 120.121 120.400 -0.109 0.000 2.263 243 D HA -0.110 4.531 4.640 0.001 0.000 0.208 243 D C 2.044 178.331 176.300 -0.021 0.000 0.971 243 D CA 1.846 55.807 54.000 -0.066 0.000 0.867 243 D CB -0.297 40.470 40.800 -0.055 0.000 0.929 243 D HN 0.498 nan 8.370 nan 0.000 0.492 244 T N -1.846 112.717 114.554 0.016 0.000 3.088 244 T HA 0.029 4.380 4.350 0.001 0.000 0.259 244 T C 1.598 176.343 174.700 0.075 0.000 1.122 244 T CA -0.005 62.125 62.100 0.050 0.000 1.095 244 T CB -0.029 68.886 68.868 0.077 0.000 0.930 244 T HN 0.230 nan 8.240 nan 0.000 0.508 245 L N -0.758 120.515 121.223 0.084 0.000 4.625 245 L HA -0.128 4.212 4.340 0.001 0.000 0.428 245 L C -0.260 176.762 176.870 0.253 0.000 1.129 245 L CA 0.268 55.188 54.840 0.135 0.000 0.978 245 L CB -1.861 40.240 42.059 0.070 0.000 2.043 245 L HN 0.467 nan 8.230 nan 0.000 0.847 246 I N 0.877 121.612 120.570 0.274 0.000 2.328 246 I HA 0.320 4.491 4.170 0.001 0.000 0.287 246 I C -1.950 174.233 176.117 0.110 0.000 1.012 246 I CA -1.742 59.659 61.300 0.168 0.000 1.195 246 I CB 1.182 39.241 38.000 0.098 0.000 1.350 246 I HN -0.240 nan 8.210 nan 0.000 0.464 247 P HA 0.091 nan 4.420 nan 0.000 0.271 247 P C 0.594 177.714 177.300 -0.300 0.000 1.218 247 P CA -0.226 62.498 63.100 -0.626 0.000 0.780 247 P CB 0.955 32.325 31.700 -0.551 0.000 0.901 248 S N 1.170 116.716 115.700 -0.257 0.000 2.425 248 S HA -0.010 4.460 4.470 0.001 0.000 0.225 248 S C 0.229 174.514 174.600 -0.525 0.000 1.024 248 S CA 0.780 58.876 58.200 -0.174 0.000 0.951 248 S CB -0.683 62.557 63.200 0.066 0.000 0.796 248 S HN 0.541 nan 8.310 nan 0.000 0.498 249 H N -0.565 118.382 119.070 -0.205 0.000 2.894 249 H HA 0.682 5.239 4.556 0.001 0.000 0.367 249 H C -1.292 173.926 175.328 -0.184 0.000 1.144 249 H CA -0.734 55.213 56.048 -0.167 0.000 1.180 249 H CB 1.543 31.217 29.762 -0.147 0.000 1.758 249 H HN 0.127 nan 8.280 nan 0.000 0.541 250 I N 3.118 123.640 120.570 -0.080 0.000 2.503 250 I HA 0.385 4.556 4.170 0.001 0.000 0.282 250 I C -0.720 175.287 176.117 -0.183 0.000 1.059 250 I CA -0.931 60.277 61.300 -0.152 0.000 1.081 250 I CB 1.322 39.218 38.000 -0.173 0.000 1.210 250 I HN 0.358 nan 8.210 nan 0.000 0.450 251 V N 2.045 121.883 119.914 -0.126 0.000 3.074 251 V HA 0.657 4.778 4.120 0.001 0.000 0.314 251 V C -1.163 174.903 176.094 -0.045 0.000 1.117 251 V CA -0.722 61.480 62.300 -0.164 0.000 1.014 251 V CB 2.471 34.272 31.823 -0.037 0.000 1.057 251 V HN 0.325 nan 8.190 nan 0.000 0.438 252 F N 1.441 121.350 119.950 -0.068 0.000 2.443 252 F HA 0.588 5.116 4.527 0.001 0.000 0.335 252 F C 1.185 176.907 175.800 -0.129 0.000 1.104 252 F CA -0.909 57.019 58.000 -0.119 0.000 1.013 252 F CB 0.640 39.577 39.000 -0.105 0.000 1.136 252 F HN 0.913 nan 8.300 nan 0.000 0.470 253 N N 1.590 120.303 118.700 0.021 0.000 2.725 253 N HA -0.231 4.509 4.740 0.001 0.000 0.249 253 N C 1.064 176.562 175.510 -0.020 0.000 1.103 253 N CA 0.688 53.711 53.050 -0.045 0.000 0.707 253 N CB -0.646 37.809 38.487 -0.053 0.000 1.043 253 N HN 1.172 nan 8.380 nan 0.000 0.553 254 G N -1.830 106.971 108.800 0.003 0.000 2.184 254 G HA2 -0.081 3.880 3.960 0.001 0.000 0.264 254 G HA3 -0.081 3.880 3.960 0.001 0.000 0.264 254 G C -0.007 174.848 174.900 -0.075 0.000 0.975 254 G CA 0.834 45.923 45.100 -0.017 0.000 0.642 254 G HN 1.314 nan 8.290 nan 0.000 0.536 255 A N -1.487 121.293 122.820 -0.067 0.000 2.605 255 A HA 0.750 5.071 4.320 0.001 0.000 0.294 255 A C -0.254 177.271 177.584 -0.098 0.000 1.062 255 A CA 0.068 52.037 52.037 -0.112 0.000 0.682 255 A CB 1.222 20.150 19.000 -0.120 0.000 1.278 255 A HN 1.379 nan 8.150 nan 0.000 0.410 256 V N 1.612 121.459 119.914 -0.112 0.000 2.599 256 V HA 0.416 4.536 4.120 0.001 0.000 0.300 256 V C 1.655 177.690 176.094 -0.099 0.000 1.034 256 V CA 1.955 64.194 62.300 -0.102 0.000 1.115 256 V CB 0.500 32.280 31.823 -0.071 0.000 0.934 256 V HN 2.422 nan 8.190 nan 0.000 0.485 257 G N 4.043 112.777 108.800 -0.110 0.000 2.168 257 G HA2 -0.270 3.691 3.960 0.001 0.000 0.263 257 G HA3 -0.270 3.691 3.960 0.001 0.000 0.263 257 G C 1.032 175.883 174.900 -0.082 0.000 0.977 257 G CA 0.613 45.648 45.100 -0.109 0.000 0.659 257 G HN 1.353 nan 8.290 nan 0.000 0.533 258 A N -0.393 122.390 122.820 -0.062 0.000 1.917 258 A HA 0.212 4.533 4.320 0.001 0.000 0.219 258 A C 1.945 179.511 177.584 -0.030 0.000 1.182 258 A CA 1.720 53.734 52.037 -0.038 0.000 0.633 258 A CB -0.195 18.789 19.000 -0.026 0.000 0.819 258 A HN 1.000 nan 8.150 nan 0.000 0.448 259 L N 0.681 121.885 121.223 -0.032 0.000 2.984 259 L HA 0.209 4.550 4.340 0.001 0.000 0.246 259 L C 0.340 177.167 176.870 -0.070 0.000 1.268 259 L CA -0.011 54.805 54.840 -0.040 0.000 1.054 259 L CB -0.262 41.773 42.059 -0.040 0.000 1.393 259 L HN 0.460 nan 8.230 nan 0.000 0.532 260 T N -4.277 110.207 114.554 -0.118 0.000 2.907 260 T HA 0.793 5.144 4.350 0.001 0.000 0.290 260 T C 0.693 175.375 174.700 -0.030 0.000 1.066 260 T CA 0.048 62.018 62.100 -0.216 0.000 1.012 260 T CB 2.611 71.172 68.868 -0.512 0.000 1.184 260 T HN 0.282 nan 8.240 nan 0.000 0.522 261 G N 1.373 110.227 108.800 0.089 0.000 2.596 261 G HA2 -0.317 3.644 3.960 0.001 0.000 0.304 261 G HA3 -0.317 3.644 3.960 0.001 0.000 0.304 261 G C 0.707 175.651 174.900 0.073 0.000 1.189 261 G CA 0.653 45.806 45.100 0.089 0.000 0.986 261 G HN 0.919 nan 8.290 nan 0.000 0.548 262 E N 1.290 121.518 120.200 0.048 0.000 2.338 262 E HA 0.106 4.457 4.350 0.001 0.000 0.197 262 E C 2.365 178.996 176.600 0.052 0.000 1.007 262 E CA 0.658 57.086 56.400 0.048 0.000 0.849 262 E CB -0.272 29.450 29.700 0.037 0.000 0.774 262 E HN 0.624 nan 8.360 nan 0.000 0.506 263 G N 0.849 109.673 108.800 0.040 0.000 3.141 263 G HA2 0.247 4.207 3.960 0.001 0.000 0.218 263 G HA3 0.247 4.207 3.960 0.001 0.000 0.218 263 G C 0.460 175.379 174.900 0.032 0.000 1.170 263 G CA 0.125 45.248 45.100 0.040 0.000 0.769 263 G HN 0.203 nan 8.290 nan 0.000 0.546 264 A N 0.441 123.293 122.820 0.053 0.000 2.531 264 A HA 0.464 4.785 4.320 0.001 0.000 0.236 264 A C 0.546 178.148 177.584 0.031 0.000 1.062 264 A CA -0.107 51.972 52.037 0.069 0.000 0.760 264 A CB 0.210 19.292 19.000 0.137 0.000 0.995 264 A HN 0.323 nan 8.150 nan 0.000 0.501 265 L N 2.100 123.295 121.223 -0.048 0.000 2.452 265 L HA 0.261 4.602 4.340 0.001 0.000 0.267 265 L C 0.488 177.358 176.870 0.001 0.000 1.188 265 L CA -0.118 54.619 54.840 -0.173 0.000 0.821 265 L CB 0.282 42.026 42.059 -0.526 0.000 1.102 265 L HN 0.606 nan 8.230 nan 0.000 0.470 266 K N 1.668 122.134 120.400 0.110 0.000 2.267 266 K HA 0.902 5.222 4.320 0.001 0.000 0.246 266 K C -0.849 175.842 176.600 0.151 0.000 0.954 266 K CA -0.622 55.740 56.287 0.125 0.000 0.824 266 K CB 2.344 34.929 32.500 0.141 0.000 1.167 266 K HN 0.724 nan 8.250 nan 0.000 0.431 267 A N 1.375 124.206 122.820 0.018 0.000 2.540 267 A HA 0.639 4.960 4.320 0.001 0.000 0.291 267 A C -1.568 175.973 177.584 -0.072 0.000 1.083 267 A CA -0.834 51.181 52.037 -0.037 0.000 0.650 267 A CB 1.343 20.226 19.000 -0.197 0.000 1.292 267 A HN 0.542 nan 8.150 nan 0.000 0.435 268 K N 0.136 120.519 120.400 -0.028 0.000 2.385 268 K HA 0.614 4.934 4.320 0.001 0.000 0.248 268 K C -0.943 175.691 176.600 0.057 0.000 0.955 268 K CA -0.942 55.353 56.287 0.013 0.000 0.816 268 K CB 2.418 34.942 32.500 0.039 0.000 1.250 268 K HN 0.427 nan 8.250 nan 0.000 0.434 269 V N 1.924 121.890 119.914 0.087 0.000 2.617 269 V HA 0.047 4.168 4.120 0.001 0.000 0.304 269 V C 1.344 177.500 176.094 0.102 0.000 1.040 269 V CA 2.105 64.484 62.300 0.133 0.000 1.149 269 V CB 0.209 32.103 31.823 0.119 0.000 0.914 269 V HN 1.177 nan 8.190 nan 0.000 0.487 270 G N 4.015 112.878 108.800 0.106 0.000 2.259 270 G HA2 -0.179 3.782 3.960 0.001 0.000 0.217 270 G HA3 -0.179 3.782 3.960 0.001 0.000 0.217 270 G C -0.043 174.893 174.900 0.061 0.000 1.001 270 G CA -0.048 45.084 45.100 0.054 0.000 0.627 270 G HN 0.661 nan 8.290 nan 0.000 0.501 271 D N 1.629 122.102 120.400 0.123 0.000 2.458 271 D HA 0.301 4.942 4.640 0.001 0.000 0.243 271 D C 0.191 176.567 176.300 0.126 0.000 1.146 271 D CA 0.180 54.260 54.000 0.133 0.000 0.877 271 D CB 0.406 41.313 40.800 0.179 0.000 1.176 271 D HN 0.204 nan 8.370 nan 0.000 0.461 272 N N 1.617 120.360 118.700 0.071 0.000 2.462 272 N HA 0.196 4.937 4.740 0.001 0.000 0.242 272 N C -0.984 174.574 175.510 0.080 0.000 1.010 272 N CA -0.286 52.794 53.050 0.050 0.000 0.939 272 N CB 1.332 39.851 38.487 0.052 0.000 1.127 272 N HN 0.063 nan 8.380 nan 0.000 0.509 273 V N 3.265 123.220 119.914 0.068 0.000 2.435 273 V HA 0.332 4.453 4.120 0.001 0.000 0.290 273 V C 0.070 176.076 176.094 -0.146 0.000 1.030 273 V CA -0.893 61.356 62.300 -0.084 0.000 0.881 273 V CB 1.858 33.637 31.823 -0.073 0.000 0.983 273 V HN 0.403 nan 8.190 nan 0.000 0.445 274 L N 5.851 126.893 121.223 -0.302 0.000 2.255 274 L HA 0.567 4.907 4.340 0.001 0.000 0.289 274 L C -0.860 175.845 176.870 -0.275 0.000 1.046 274 L CA 0.266 54.971 54.840 -0.224 0.000 0.816 274 L CB 0.398 42.168 42.059 -0.482 0.000 1.197 274 L HN 0.466 nan 8.230 nan 0.000 0.427 275 F N 5.306 125.308 119.950 0.088 0.000 2.350 275 F HA 0.369 4.896 4.527 0.001 0.000 0.365 275 F C 0.171 176.076 175.800 0.175 0.000 1.122 275 F CA -0.537 57.531 58.000 0.113 0.000 1.139 275 F CB 1.028 40.146 39.000 0.198 0.000 1.220 275 F HN 0.101 nan 8.300 nan 0.000 0.499 276 V N 3.704 123.761 119.914 0.238 0.000 2.406 276 V HA 0.172 4.293 4.120 0.001 0.000 0.272 276 V C -0.462 175.846 176.094 0.357 0.000 1.043 276 V CA -0.554 61.891 62.300 0.242 0.000 0.915 276 V CB 0.856 32.728 31.823 0.081 0.000 0.988 276 V HN 0.653 nan 8.190 nan 0.000 0.466 277 H N 3.202 122.437 119.070 0.275 0.000 2.589 277 H HA 0.619 5.176 4.556 0.001 0.000 0.335 277 H C -0.017 175.423 175.328 0.186 0.000 1.019 277 H CA -0.206 55.985 56.048 0.238 0.000 1.213 277 H CB 1.327 31.263 29.762 0.291 0.000 1.472 277 H HN 0.767 nan 8.280 nan 0.000 0.508 278 S N 4.555 120.402 115.700 0.245 0.000 2.568 278 S HA 0.451 4.921 4.470 0.001 0.000 0.302 278 S C -0.816 173.878 174.600 0.157 0.000 1.082 278 S CA -0.945 57.379 58.200 0.207 0.000 1.009 278 S CB 2.276 65.606 63.200 0.217 0.000 1.069 278 S HN 0.640 nan 8.310 nan 0.000 0.500 279 Q N 1.587 121.451 119.800 0.107 0.000 2.526 279 Q HA 0.331 4.671 4.340 0.001 0.000 0.238 279 Q C -2.511 173.496 176.000 0.010 0.000 0.866 279 Q CA -1.598 54.241 55.803 0.060 0.000 0.801 279 Q CB 2.326 31.104 28.738 0.067 0.000 1.380 279 Q HN 0.602 nan 8.270 nan 0.000 0.446 280 P HA -0.033 nan 4.420 nan 0.000 0.233 280 P C 0.452 177.705 177.300 -0.079 0.000 1.167 280 P CA 0.889 63.947 63.100 -0.070 0.000 0.770 280 P CB 0.672 32.309 31.700 -0.104 0.000 0.837 281 N N -1.149 117.529 118.700 -0.037 0.000 2.104 281 N HA 0.057 4.797 4.740 0.001 0.000 0.227 281 N C 0.150 175.669 175.510 0.015 0.000 1.321 281 N CA -0.103 52.937 53.050 -0.016 0.000 0.877 281 N CB 1.531 40.017 38.487 -0.000 0.000 1.117 281 N HN -0.016 nan 8.380 nan 0.000 0.486 282 R N 0.809 121.315 120.500 0.009 0.000 2.668 282 R HA 0.208 4.549 4.340 0.001 0.000 0.272 282 R C -1.537 174.743 176.300 -0.033 0.000 1.019 282 R CA -0.521 55.587 56.100 0.015 0.000 0.894 282 R CB 1.463 31.790 30.300 0.045 0.000 1.228 282 R HN -0.073 nan 8.270 nan 0.000 0.460 283 D N 1.036 121.406 120.400 -0.049 0.000 2.400 283 D HA 0.133 4.774 4.640 0.001 0.000 0.238 283 D C -0.456 175.748 176.300 -0.161 0.000 1.157 283 D CA 0.524 54.408 54.000 -0.194 0.000 0.889 283 D CB 1.569 42.315 40.800 -0.089 0.000 1.199 283 D HN 0.346 nan 8.370 nan 0.000 0.436 284 S N -0.264 115.250 115.700 -0.311 0.000 2.588 284 S HA 0.590 5.061 4.470 0.001 0.000 0.275 284 S C -1.338 173.116 174.600 -0.244 0.000 1.130 284 S CA -1.016 57.074 58.200 -0.183 0.000 0.855 284 S CB 1.244 64.382 63.200 -0.103 0.000 1.116 284 S HN 0.498 nan 8.310 nan 0.000 0.472 285 R N 1.635 122.036 120.500 -0.165 0.000 2.585 285 R HA 0.403 4.744 4.340 0.001 0.000 0.278 285 R C -3.230 172.810 176.300 -0.434 0.000 1.663 285 R CA -1.762 54.243 56.100 -0.160 0.000 1.592 285 R CB 0.476 30.795 30.300 0.031 0.000 1.200 285 R HN 0.278 nan 8.270 nan 0.000 0.611 286 P HA 0.093 nan 4.420 nan 0.000 0.266 286 P C -0.881 175.486 177.300 -1.555 0.000 1.195 286 P CA 0.162 62.542 63.100 -1.199 0.000 0.768 286 P CB 1.140 32.046 31.700 -1.324 0.000 0.838 287 A N 2.860 124.932 122.820 -1.247 0.000 2.547 287 A HA 0.558 4.879 4.320 0.001 0.000 0.297 287 A C -1.763 175.431 177.584 -0.649 0.000 1.056 287 A CA -0.511 50.973 52.037 -0.922 0.000 0.688 287 A CB 1.015 19.788 19.000 -0.377 0.000 1.282 287 A HN 0.473 nan 8.150 nan 0.000 0.400 288 L N 3.615 124.619 121.223 -0.365 0.000 2.297 288 L HA 0.523 4.863 4.340 0.001 0.000 0.277 288 L C -0.559 176.270 176.870 -0.068 0.000 1.040 288 L CA -0.319 54.431 54.840 -0.149 0.000 0.867 288 L CB -0.073 41.906 42.059 -0.134 0.000 1.244 288 L HN 0.575 nan 8.230 nan 0.000 0.433 289 I N 5.968 126.536 120.570 -0.002 0.000 2.662 289 I HA 0.218 4.389 4.170 0.001 0.000 0.285 289 I C 1.424 177.588 176.117 0.078 0.000 1.161 289 I CA 1.160 62.468 61.300 0.014 0.000 1.415 289 I CB 0.017 38.026 38.000 0.016 0.000 1.385 289 I HN 0.898 nan 8.210 nan 0.000 0.552 290 G N 4.028 112.832 108.800 0.006 0.000 2.238 290 G HA2 -0.139 3.822 3.960 0.001 0.000 0.217 290 G HA3 -0.139 3.822 3.960 0.001 0.000 0.217 290 G C 0.264 175.278 174.900 0.190 0.000 0.996 290 G CA -0.256 44.853 45.100 0.015 0.000 0.632 290 G HN 0.988 nan 8.290 nan 0.000 0.503 291 G N -1.275 107.533 108.800 0.013 0.000 3.195 291 G HA2 0.757 4.718 3.960 0.001 0.000 0.217 291 G HA3 0.757 4.718 3.960 0.001 0.000 0.217 291 G C -0.804 173.606 174.900 -0.816 0.000 1.166 291 G CA 0.111 45.025 45.100 -0.311 0.000 0.812 291 G HN 0.664 nan 8.290 nan 0.000 0.617 292 H N -2.430 116.199 119.070 -0.734 0.000 2.928 292 H HA 0.572 5.129 4.556 0.001 0.000 0.285 292 H C -0.159 175.019 175.328 -0.251 0.000 1.438 292 H CA -0.143 55.757 56.048 -0.246 0.000 1.176 292 H CB 1.424 31.169 29.762 -0.029 0.000 1.864 292 H HN 0.805 nan 8.280 nan 0.000 0.567 293 G N 0.140 108.980 108.800 0.067 0.000 2.547 293 G HA2 0.191 4.152 3.960 0.001 0.000 0.327 293 G HA3 0.191 4.152 3.960 0.001 0.000 0.327 293 G C -0.294 174.552 174.900 -0.089 0.000 1.118 293 G CA -0.379 44.563 45.100 -0.263 0.000 1.022 293 G HN 0.533 nan 8.290 nan 0.000 0.464 294 D N 1.546 121.985 120.400 0.065 0.000 2.097 294 D HA -0.060 4.581 4.640 0.001 0.000 0.195 294 D C 0.918 177.140 176.300 -0.130 0.000 0.989 294 D CA 1.292 55.301 54.000 0.016 0.000 0.827 294 D CB 0.287 41.118 40.800 0.051 0.000 0.966 294 D HN 0.284 nan 8.370 nan 0.000 0.456 295 L N 0.398 121.504 121.223 -0.194 0.000 2.438 295 L HA 0.410 4.750 4.340 0.001 0.000 0.270 295 L C -1.155 175.413 176.870 -0.503 0.000 0.972 295 L CA -0.653 53.954 54.840 -0.389 0.000 0.831 295 L CB 3.068 44.903 42.059 -0.374 0.000 1.273 295 L HN -0.345 nan 8.230 nan 0.000 0.405 296 V N 1.336 120.877 119.914 -0.623 0.000 2.638 296 V HA 0.406 4.527 4.120 0.001 0.000 0.306 296 V C -1.014 174.813 176.094 -0.444 0.000 1.052 296 V CA -0.497 61.490 62.300 -0.522 0.000 0.885 296 V CB 2.534 33.992 31.823 -0.607 0.000 0.999 296 V HN 0.670 nan 8.190 nan 0.000 0.424 297 W N 4.201 125.456 121.300 -0.075 0.000 2.313 297 W HA 0.305 4.966 4.660 0.001 0.000 0.315 297 W C 1.257 177.757 176.519 -0.031 0.000 0.917 297 W CA -0.390 56.946 57.345 -0.016 0.000 1.626 297 W CB 1.105 30.590 29.460 0.042 0.000 1.574 297 W HN 0.981 nan 8.180 nan 0.000 0.395 298 E N -0.287 119.996 120.200 0.139 0.000 2.204 298 E HA -0.182 4.168 4.350 0.001 0.000 0.195 298 E C 1.472 178.156 176.600 0.141 0.000 0.990 298 E CA 1.857 58.365 56.400 0.179 0.000 0.821 298 E CB -0.152 29.689 29.700 0.235 0.000 0.750 298 E HN 0.161 nan 8.360 nan 0.000 0.477 299 T N -2.882 111.738 114.554 0.110 0.000 3.129 299 T HA 0.297 4.648 4.350 0.001 0.000 0.251 299 T C 1.533 176.198 174.700 -0.060 0.000 1.117 299 T CA 0.173 62.299 62.100 0.043 0.000 1.034 299 T CB 0.237 69.135 68.868 0.049 0.000 0.968 299 T HN 0.437 nan 8.240 nan 0.000 0.526 300 G N 1.953 110.727 108.800 -0.043 0.000 2.179 300 G HA2 -0.243 3.718 3.960 0.001 0.000 0.257 300 G HA3 -0.243 3.718 3.960 0.001 0.000 0.257 300 G C -0.129 174.362 174.900 -0.682 0.000 1.010 300 G CA -0.021 44.910 45.100 -0.282 0.000 0.736 300 G HN 0.541 nan 8.290 nan 0.000 0.513 301 K N 0.117 120.243 120.400 -0.457 0.000 2.389 301 K HA 0.481 4.802 4.320 0.001 0.000 0.261 301 K C 0.763 177.141 176.600 -0.369 0.000 1.014 301 K CA -1.271 54.698 56.287 -0.529 0.000 0.920 301 K CB 0.567 32.920 32.500 -0.244 0.000 1.149 301 K HN -0.009 nan 8.250 nan 0.000 0.444 302 F N 0.878 120.562 119.950 -0.443 0.000 2.287 302 F HA -0.167 4.361 4.527 0.001 0.000 0.301 302 F C 1.844 177.510 175.800 -0.224 0.000 1.069 302 F CA 1.162 58.786 58.000 -0.626 0.000 1.372 302 F CB -0.479 38.090 39.000 -0.717 0.000 1.056 302 F HN 0.559 nan 8.300 nan 0.000 0.523 303 H N -0.602 118.567 119.070 0.166 0.000 2.551 303 H HA 0.113 4.670 4.556 0.001 0.000 0.266 303 H C 0.452 175.905 175.328 0.208 0.000 0.977 303 H CA 0.177 56.332 56.048 0.177 0.000 1.163 303 H CB -0.296 29.538 29.762 0.121 0.000 1.381 303 H HN 0.150 nan 8.280 nan 0.000 0.581 304 N N 0.820 119.725 118.700 0.342 0.000 2.524 304 N HA 0.232 4.973 4.740 0.001 0.000 0.283 304 N C 0.051 175.783 175.510 0.370 0.000 1.142 304 N CA -0.162 53.068 53.050 0.301 0.000 0.984 304 N CB 1.425 40.059 38.487 0.246 0.000 1.155 304 N HN 0.095 nan 8.380 nan 0.000 0.467 305 A N 2.644 125.596 122.820 0.221 0.000 2.488 305 A HA 0.254 4.575 4.320 0.001 0.000 0.249 305 A C -1.855 175.713 177.584 -0.027 0.000 1.083 305 A CA -0.729 51.397 52.037 0.147 0.000 0.768 305 A CB -0.362 18.701 19.000 0.105 0.000 1.017 305 A HN 0.457 nan 8.150 nan 0.000 0.496 306 P HA 0.309 nan 4.420 nan 0.000 0.279 306 P C -0.520 176.511 177.300 -0.448 0.000 1.252 306 P CA -0.377 62.264 63.100 -0.764 0.000 0.811 306 P CB 1.107 31.845 31.700 -1.602 0.000 1.035 307 E N 0.923 120.879 120.200 -0.408 0.000 2.250 307 E HA 0.388 4.739 4.350 0.001 0.000 0.269 307 E C -0.360 176.040 176.600 -0.334 0.000 1.018 307 E CA -0.616 55.606 56.400 -0.297 0.000 0.873 307 E CB 1.034 30.624 29.700 -0.184 0.000 1.134 307 E HN 0.301 nan 8.360 nan 0.000 0.403 308 R N 0.954 121.282 120.500 -0.287 0.000 2.832 308 R HA 0.253 4.593 4.340 0.001 0.000 0.271 308 R C -0.850 175.354 176.300 -0.159 0.000 0.996 308 R CA -0.598 55.352 56.100 -0.250 0.000 0.977 308 R CB 0.693 30.819 30.300 -0.291 0.000 1.168 308 R HN 0.458 nan 8.270 nan 0.000 0.482 309 D N 0.257 120.583 120.400 -0.122 0.000 2.945 309 D HA -0.181 4.460 4.640 0.001 0.000 0.225 309 D C -0.554 175.751 176.300 0.009 0.000 1.158 309 D CA 0.790 54.739 54.000 -0.086 0.000 0.805 309 D CB -1.109 39.615 40.800 -0.126 0.000 1.098 309 D HN 0.308 nan 8.370 nan 0.000 0.426 310 L N 0.734 121.978 121.223 0.034 0.000 2.439 310 L HA 0.084 4.425 4.340 0.001 0.000 0.269 310 L C 2.201 179.245 176.870 0.291 0.000 1.179 310 L CA 0.139 55.064 54.840 0.143 0.000 0.828 310 L CB 0.485 42.640 42.059 0.161 0.000 1.106 310 L HN 0.099 nan 8.230 nan 0.000 0.467 311 E N 0.092 120.427 120.200 0.225 0.000 2.166 311 E HA 0.073 4.424 4.350 0.001 0.000 0.192 311 E C -0.230 176.396 176.600 0.043 0.000 0.967 311 E CA 0.329 56.804 56.400 0.125 0.000 0.840 311 E CB 0.526 30.239 29.700 0.022 0.000 0.795 311 E HN 0.620 nan 8.360 nan 0.000 0.470 312 T N 0.598 115.197 114.554 0.075 0.000 2.982 312 T HA 0.428 4.779 4.350 0.001 0.000 0.321 312 T C -1.628 173.160 174.700 0.146 0.000 1.229 312 T CA -0.902 61.111 62.100 -0.145 0.000 1.044 312 T CB 1.128 69.843 68.868 -0.256 0.000 1.184 312 T HN 0.380 nan 8.240 nan 0.000 0.477 313 W N 1.253 122.528 121.300 -0.042 0.000 3.164 313 W HA 0.890 5.550 4.660 0.001 0.000 0.325 313 W C -1.542 175.041 176.519 0.106 0.000 1.228 313 W CA -1.377 55.979 57.345 0.019 0.000 1.024 313 W CB 0.657 30.123 29.460 0.010 0.000 1.534 313 W HN 0.504 nan 8.180 nan 0.000 0.614 314 F N 2.397 122.447 119.950 0.167 0.000 2.518 314 F HA 0.548 5.076 4.527 0.001 0.000 0.323 314 F C -1.016 174.829 175.800 0.074 0.000 1.129 314 F CA -1.852 56.172 58.000 0.040 0.000 0.920 314 F CB 0.989 40.008 39.000 0.031 0.000 1.160 314 F HN 0.107 nan 8.300 nan 0.000 0.440 315 I N 6.235 126.506 120.570 -0.499 0.000 2.354 315 I HA 0.354 4.525 4.170 0.001 0.000 0.286 315 I C 0.040 175.767 176.117 -0.649 0.000 1.007 315 I CA -0.628 60.453 61.300 -0.366 0.000 1.167 315 I CB 1.248 39.129 38.000 -0.197 0.000 1.320 315 I HN 0.539 nan 8.210 nan 0.000 0.458 316 R N 3.372 123.618 120.500 -0.422 0.000 2.491 316 R HA 0.334 4.674 4.340 0.001 0.000 0.283 316 R C 0.836 177.049 176.300 -0.146 0.000 1.072 316 R CA -0.209 55.714 56.100 -0.295 0.000 1.048 316 R CB 0.426 30.704 30.300 -0.037 0.000 0.983 316 R HN 0.806 nan 8.270 nan 0.000 0.450 317 G N 0.661 109.398 108.800 -0.105 0.000 2.272 317 G HA2 0.313 4.273 3.960 0.001 0.000 0.247 317 G HA3 0.313 4.273 3.960 0.001 0.000 0.247 317 G C 0.833 175.744 174.900 0.018 0.000 1.272 317 G CA 0.275 45.355 45.100 -0.034 0.000 0.921 317 G HN 0.813 nan 8.290 nan 0.000 0.495 318 G N 0.882 109.706 108.800 0.039 0.000 2.131 318 G HA2 0.111 4.072 3.960 0.001 0.000 0.201 318 G HA3 0.111 4.072 3.960 0.001 0.000 0.201 318 G C 0.356 175.376 174.900 0.200 0.000 1.000 318 G CA 0.737 45.920 45.100 0.137 0.000 0.680 318 G HN 2.184 nan 8.290 nan 0.000 0.514 319 T N -3.266 111.344 114.554 0.094 0.000 2.787 319 T HA 0.951 5.301 4.350 0.001 0.000 0.297 319 T C -0.527 174.196 174.700 0.039 0.000 1.221 319 T CA 0.219 62.368 62.100 0.082 0.000 1.006 319 T CB 2.007 70.897 68.868 0.036 0.000 1.328 319 T HN 1.928 nan 8.240 nan 0.000 0.509 320 A N -0.183 122.636 122.820 -0.002 0.000 2.414 320 A HA 0.972 5.293 4.320 0.001 0.000 0.306 320 A C 0.098 177.671 177.584 -0.020 0.000 1.054 320 A CA -0.355 51.691 52.037 0.015 0.000 0.724 320 A CB 1.455 20.436 19.000 -0.032 0.000 1.267 320 A HN 1.543 nan 8.150 nan 0.000 0.418 321 G N -0.573 108.282 108.800 0.093 0.000 2.816 321 G HA2 0.884 4.844 3.960 0.001 0.000 0.288 321 G HA3 0.884 4.844 3.960 0.001 0.000 0.288 321 G C -0.737 174.286 174.900 0.205 0.000 1.334 321 G CA -0.178 44.993 45.100 0.118 0.000 0.978 321 G HN 1.885 nan 8.290 nan 0.000 0.493 322 A N -1.318 121.660 122.820 0.263 0.000 2.488 322 A HA 0.908 5.229 4.320 0.001 0.000 0.298 322 A C -0.597 177.173 177.584 0.310 0.000 1.044 322 A CA 0.012 52.250 52.037 0.335 0.000 0.693 322 A CB 1.595 20.822 19.000 0.377 0.000 1.272 322 A HN 2.172 nan 8.150 nan 0.000 0.402 323 A N 1.291 124.253 122.820 0.236 0.000 2.374 323 A HA 0.720 5.041 4.320 0.001 0.000 0.305 323 A C -1.357 176.347 177.584 0.200 0.000 1.053 323 A CA -0.419 51.605 52.037 -0.021 0.000 0.726 323 A CB 1.173 19.839 19.000 -0.557 0.000 1.229 323 A HN 1.690 nan 8.150 nan 0.000 0.431 324 L N 2.232 123.539 121.223 0.140 0.000 2.317 324 L HA 0.790 5.131 4.340 0.001 0.000 0.281 324 L C -1.325 175.667 176.870 0.203 0.000 1.024 324 L CA -0.369 54.589 54.840 0.198 0.000 0.810 324 L CB 1.288 43.468 42.059 0.202 0.000 1.240 324 L HN 0.675 nan 8.230 nan 0.000 0.427 325 Y N 4.103 124.440 120.300 0.060 0.000 2.470 325 Y HA 0.432 4.983 4.550 0.001 0.000 0.341 325 Y C -1.123 174.692 175.900 -0.143 0.000 1.021 325 Y CA -1.122 56.941 58.100 -0.060 0.000 1.025 325 Y CB 1.431 39.825 38.460 -0.110 0.000 1.266 325 Y HN 0.659 nan 8.280 nan 0.000 0.448 326 K N 6.248 126.154 120.400 -0.823 0.000 2.263 326 K HA 0.382 4.703 4.320 0.001 0.000 0.272 326 K C -1.452 174.537 176.600 -1.019 0.000 1.033 326 K CA -0.460 55.454 56.287 -0.623 0.000 0.884 326 K CB 0.384 32.690 32.500 -0.324 0.000 1.107 326 K HN 0.567 nan 8.250 nan 0.000 0.460 327 F N 4.676 124.360 119.950 -0.442 0.000 2.538 327 F HA 0.052 4.580 4.527 0.002 0.000 0.371 327 F C 1.128 176.852 175.800 -0.127 0.000 1.087 327 F CA 0.107 57.958 58.000 -0.247 0.000 1.250 327 F CB 0.602 39.571 39.000 -0.053 0.000 1.110 327 F HN 0.481 nan 8.300 nan 0.000 0.570 328 L N 1.499 122.804 121.223 0.138 0.000 2.672 328 L HA 0.212 4.553 4.340 0.001 0.000 0.236 328 L C 0.140 177.078 176.870 0.113 0.000 1.092 328 L CA 0.126 55.017 54.840 0.084 0.000 0.887 328 L CB -0.022 42.056 42.059 0.032 0.000 1.168 328 L HN 0.463 nan 8.230 nan 0.000 0.502 329 Q N 1.079 121.043 119.800 0.274 0.000 2.375 329 Q HA 0.455 4.796 4.340 0.001 0.000 0.271 329 Q C -2.537 173.727 176.000 0.439 0.000 1.074 329 Q CA -1.749 54.185 55.803 0.218 0.000 0.808 329 Q CB 3.009 31.787 28.738 0.066 0.000 1.327 329 Q HN -0.146 nan 8.270 nan 0.000 0.441 330 P HA 0.539 nan 4.420 nan 0.000 0.278 330 P C -0.010 177.532 177.300 0.402 0.000 1.266 330 P CA 0.233 63.551 63.100 0.363 0.000 0.807 330 P CB 1.275 33.147 31.700 0.287 0.000 1.094 331 G N -1.346 107.626 108.800 0.286 0.000 2.331 331 G HA2 0.023 3.984 3.960 0.001 0.000 0.479 331 G HA3 0.023 3.984 3.960 0.001 0.000 0.479 331 G C -1.539 173.463 174.900 0.170 0.000 1.262 331 G CA -0.571 44.634 45.100 0.175 0.000 1.029 331 G HN 0.445 nan 8.290 nan 0.000 0.487 332 V N 0.819 120.754 119.914 0.035 0.000 2.427 332 V HA 0.700 4.821 4.120 0.001 0.000 0.286 332 V C -0.522 175.555 176.094 -0.029 0.000 1.034 332 V CA -0.372 61.955 62.300 0.045 0.000 0.893 332 V CB 1.020 32.802 31.823 -0.068 0.000 0.982 332 V HN 0.633 nan 8.190 nan 0.000 0.452 333 Y N 1.718 122.068 120.300 0.084 0.000 2.562 333 Y HA 0.775 5.325 4.550 0.001 0.000 0.343 333 Y C 0.271 176.243 175.900 0.120 0.000 1.025 333 Y CA -0.983 57.202 58.100 0.141 0.000 1.082 333 Y CB 2.115 40.748 38.460 0.289 0.000 1.264 333 Y HN 0.646 nan 8.280 nan 0.000 0.478 334 A N 1.842 124.827 122.820 0.275 0.000 2.310 334 A HA 0.483 4.804 4.320 0.001 0.000 0.304 334 A C -2.077 175.644 177.584 0.228 0.000 1.231 334 A CA -0.569 51.624 52.037 0.260 0.000 0.799 334 A CB -0.011 19.080 19.000 0.151 0.000 1.162 334 A HN 0.698 nan 8.150 nan 0.000 0.486 335 Y N 3.842 124.224 120.300 0.137 0.000 2.383 335 Y HA 0.498 5.049 4.550 0.002 0.000 0.344 335 Y C 0.081 176.068 175.900 0.145 0.000 0.986 335 Y CA 0.021 58.132 58.100 0.017 0.000 1.175 335 Y CB 0.988 39.400 38.460 -0.081 0.000 1.152 335 Y HN 0.831 nan 8.280 nan 0.000 0.511 336 V N 3.379 123.157 119.914 -0.227 0.000 3.160 336 V HA 0.545 4.666 4.120 0.001 0.000 0.310 336 V C -1.136 174.869 176.094 -0.150 0.000 1.181 336 V CA -1.255 61.027 62.300 -0.030 0.000 1.047 336 V CB 2.015 33.768 31.823 -0.117 0.000 1.068 336 V HN 0.786 nan 8.190 nan 0.000 0.441 337 N N 1.031 119.723 118.700 -0.014 0.000 2.414 337 N HA 0.186 4.927 4.740 0.001 0.000 0.256 337 N C 0.250 175.678 175.510 -0.137 0.000 1.029 337 N CA -0.065 52.945 53.050 -0.067 0.000 0.948 337 N CB 0.492 38.965 38.487 -0.024 0.000 1.102 337 N HN 0.958 nan 8.380 nan 0.000 0.496 338 H N 3.131 122.076 119.070 -0.208 0.000 2.682 338 H HA 0.029 4.586 4.556 0.001 0.000 0.293 338 H C -0.491 174.762 175.328 -0.124 0.000 1.080 338 H CA 0.220 56.163 56.048 -0.174 0.000 1.189 338 H CB -0.322 29.316 29.762 -0.208 0.000 1.311 338 H HN 0.624 nan 8.280 nan 0.000 0.599 339 N N 0.682 119.348 118.700 -0.055 0.000 2.500 339 N HA 0.066 4.807 4.740 0.001 0.000 0.236 339 N C 1.089 176.510 175.510 -0.149 0.000 1.022 339 N CA -0.355 52.662 53.050 -0.055 0.000 0.935 339 N CB 0.580 39.036 38.487 -0.050 0.000 1.147 339 N HN 0.162 nan 8.380 nan 0.000 0.512 340 L N 3.304 124.412 121.223 -0.192 0.000 2.261 340 L HA -0.187 4.154 4.340 0.001 0.000 0.216 340 L C 1.715 178.446 176.870 -0.232 0.000 1.114 340 L CA 0.963 55.655 54.840 -0.246 0.000 0.777 340 L CB -0.318 41.602 42.059 -0.231 0.000 0.910 340 L HN 0.736 nan 8.230 nan 0.000 0.440 341 I N -0.430 119.989 120.570 -0.253 0.000 2.286 341 I HA -0.225 3.946 4.170 0.001 0.000 0.245 341 I C 2.352 178.332 176.117 -0.228 0.000 1.104 341 I CA 1.216 62.290 61.300 -0.376 0.000 1.397 341 I CB -0.247 37.546 38.000 -0.344 0.000 1.072 341 I HN 0.253 nan 8.210 nan 0.000 0.417 342 E N 1.050 121.148 120.200 -0.171 0.000 2.150 342 E HA -0.155 4.196 4.350 0.001 0.000 0.193 342 E C 2.341 178.838 176.600 -0.173 0.000 0.985 342 E CA 1.136 57.447 56.400 -0.147 0.000 0.814 342 E CB -0.111 29.515 29.700 -0.123 0.000 0.752 342 E HN 0.502 nan 8.360 nan 0.000 0.466 343 A N 0.697 123.407 122.820 -0.184 0.000 1.873 343 A HA -0.102 4.218 4.320 0.001 0.000 0.215 343 A C 2.377 179.871 177.584 -0.150 0.000 1.186 343 A CA 1.163 53.081 52.037 -0.198 0.000 0.616 343 A CB -0.253 18.626 19.000 -0.202 0.000 0.823 343 A HN 0.112 nan 8.150 nan 0.000 0.442 344 V N -1.296 118.561 119.914 -0.094 0.000 2.672 344 V HA -0.068 4.053 4.120 0.001 0.000 0.242 344 V C 2.146 178.296 176.094 0.092 0.000 1.059 344 V CA 1.396 63.696 62.300 -0.001 0.000 1.081 344 V CB -0.988 30.863 31.823 0.045 0.000 0.752 344 V HN 0.677 nan 8.190 nan 0.000 0.472 345 H N 0.066 119.073 119.070 -0.106 0.000 2.372 345 H HA 0.028 4.585 4.556 0.001 0.000 0.301 345 H C 1.934 177.183 175.328 -0.131 0.000 1.065 345 H CA 0.866 56.854 56.048 -0.100 0.000 1.364 345 H CB 0.364 30.073 29.762 -0.089 0.000 1.406 345 H HN 0.214 nan 8.280 nan 0.000 0.521 346 K N -0.241 120.145 120.400 -0.023 0.000 2.314 346 K HA 0.072 4.393 4.320 0.001 0.000 0.198 346 K C 1.390 177.913 176.600 -0.128 0.000 1.045 346 K CA 0.865 57.079 56.287 -0.122 0.000 0.988 346 K CB 0.780 33.195 32.500 -0.142 0.000 0.783 346 K HN 0.514 nan 8.250 nan 0.000 0.484 347 G N 0.387 109.097 108.800 -0.150 0.000 2.192 347 G HA2 -0.202 3.759 3.960 0.001 0.000 0.193 347 G HA3 -0.202 3.759 3.960 0.001 0.000 0.193 347 G C 0.337 175.002 174.900 -0.392 0.000 0.999 347 G CA -0.030 44.951 45.100 -0.198 0.000 0.659 347 G HN 0.350 nan 8.290 nan 0.000 0.503 348 A N 1.166 123.692 122.820 -0.490 0.000 3.051 348 A HA 0.637 4.958 4.320 0.001 0.000 0.257 348 A C 0.567 177.681 177.584 -0.783 0.000 1.785 348 A CA 1.184 52.631 52.037 -0.982 0.000 1.420 348 A CB -0.353 18.262 19.000 -0.643 0.000 1.063 348 A HN 0.655 nan 8.150 nan 0.000 0.630 349 T N 0.565 114.794 114.554 -0.541 0.000 2.971 349 T HA 0.654 5.005 4.350 0.001 0.000 0.304 349 T C -0.399 174.379 174.700 0.131 0.000 1.038 349 T CA 0.084 62.155 62.100 -0.049 0.000 1.007 349 T CB 1.678 70.510 68.868 -0.061 0.000 1.055 349 T HN 0.828 nan 8.240 nan 0.000 0.451 350 A N 2.642 125.687 122.820 0.375 0.000 2.413 350 A HA 0.834 5.155 4.320 0.001 0.000 0.307 350 A C -1.174 176.577 177.584 0.279 0.000 1.087 350 A CA -0.724 51.465 52.037 0.253 0.000 0.750 350 A CB 1.065 20.241 19.000 0.294 0.000 1.296 350 A HN 0.974 nan 8.150 nan 0.000 0.423 351 H N -0.532 118.613 119.070 0.125 0.000 2.529 351 H HA 0.621 5.177 4.556 0.001 0.000 0.348 351 H C -1.128 174.264 175.328 0.107 0.000 1.152 351 H CA -1.032 55.090 56.048 0.125 0.000 1.202 351 H CB 2.155 31.970 29.762 0.089 0.000 1.562 351 H HN 0.391 nan 8.280 nan 0.000 0.515 352 V N 4.455 124.542 119.914 0.289 0.000 2.483 352 V HA 0.216 4.337 4.120 0.001 0.000 0.297 352 V C -0.420 175.781 176.094 0.178 0.000 1.027 352 V CA -0.701 61.713 62.300 0.190 0.000 0.855 352 V CB 1.661 33.622 31.823 0.230 0.000 0.995 352 V HN 0.510 nan 8.190 nan 0.000 0.424 353 L N 5.419 126.700 121.223 0.098 0.000 2.280 353 L HA 0.642 4.983 4.340 0.001 0.000 0.287 353 L C -0.644 176.243 176.870 0.029 0.000 1.023 353 L CA -0.665 54.230 54.840 0.092 0.000 0.819 353 L CB 1.678 43.785 42.059 0.081 0.000 1.212 353 L HN 0.363 nan 8.230 nan 0.000 0.420 354 V N 2.997 122.943 119.914 0.055 0.000 2.417 354 V HA 0.286 4.407 4.120 0.001 0.000 0.291 354 V C 0.058 176.196 176.094 0.073 0.000 1.024 354 V CA -0.724 61.562 62.300 -0.023 0.000 0.861 354 V CB 1.775 33.529 31.823 -0.115 0.000 0.985 354 V HN 0.821 nan 8.190 nan 0.000 0.436 355 E N 3.738 123.969 120.200 0.051 0.000 2.242 355 E HA 0.852 5.202 4.350 0.001 0.000 0.275 355 E C 0.107 176.761 176.600 0.091 0.000 1.002 355 E CA -0.384 56.062 56.400 0.077 0.000 0.841 355 E CB 2.224 31.960 29.700 0.059 0.000 1.109 355 E HN 0.952 nan 8.360 nan 0.000 0.394 356 G N 1.203 110.068 108.800 0.107 0.000 2.356 356 G HA2 0.073 4.033 3.960 0.001 0.000 0.288 356 G HA3 0.073 4.033 3.960 0.001 0.000 0.288 356 G C -1.529 173.454 174.900 0.139 0.000 1.302 356 G CA -0.931 44.235 45.100 0.111 0.000 0.887 356 G HN 0.447 nan 8.290 nan 0.000 0.521 357 E N 0.056 120.335 120.200 0.131 0.000 2.231 357 E HA 0.279 4.630 4.350 0.001 0.000 0.277 357 E C -0.333 176.390 176.600 0.206 0.000 0.999 357 E CA -0.707 55.787 56.400 0.157 0.000 0.827 357 E CB 1.660 31.426 29.700 0.111 0.000 1.101 357 E HN 0.554 nan 8.360 nan 0.000 0.393 358 W N 2.877 124.214 121.300 0.062 0.000 2.218 358 W HA 0.095 4.755 4.660 0.001 0.000 0.326 358 W C -0.552 176.004 176.519 0.062 0.000 1.276 358 W CA 0.058 57.443 57.345 0.067 0.000 1.210 358 W CB 1.011 30.503 29.460 0.053 0.000 1.143 358 W HN 0.340 nan 8.180 nan 0.000 0.563 359 D N 4.277 124.295 120.400 -0.635 0.000 2.460 359 D HA 0.093 4.734 4.640 0.001 0.000 0.232 359 D C 0.775 176.796 176.300 -0.466 0.000 1.079 359 D CA -0.202 53.560 54.000 -0.396 0.000 0.864 359 D CB 0.474 41.092 40.800 -0.302 0.000 1.048 359 D HN 0.290 nan 8.370 nan 0.000 0.523 360 N N 2.660 121.325 118.700 -0.058 0.000 2.381 360 N HA -0.156 4.585 4.740 0.001 0.000 0.182 360 N C 0.997 176.531 175.510 0.041 0.000 1.025 360 N CA 0.515 53.640 53.050 0.124 0.000 0.888 360 N CB 0.219 38.829 38.487 0.205 0.000 0.965 360 N HN 0.555 nan 8.380 nan 0.000 0.438 361 D N 0.607 120.995 120.400 -0.020 0.000 2.178 361 D HA -0.022 4.619 4.640 0.001 0.000 0.202 361 D C 2.006 178.290 176.300 -0.026 0.000 0.974 361 D CA 0.617 54.610 54.000 -0.011 0.000 0.841 361 D CB 0.099 40.888 40.800 -0.019 0.000 0.953 361 D HN 0.164 nan 8.370 nan 0.000 0.478 362 L N -1.077 120.093 121.223 -0.088 0.000 2.131 362 L HA 0.148 4.489 4.340 0.001 0.000 0.206 362 L C 1.043 177.895 176.870 -0.030 0.000 1.087 362 L CA 0.362 55.153 54.840 -0.081 0.000 0.767 362 L CB -0.008 41.958 42.059 -0.155 0.000 0.917 362 L HN 0.164 nan 8.230 nan 0.000 0.441 363 M N -0.613 118.979 119.600 -0.013 0.000 2.373 363 M HA 0.304 4.785 4.480 0.001 0.000 0.290 363 M C -1.909 174.612 176.300 0.368 0.000 1.143 363 M CA -0.381 55.022 55.300 0.171 0.000 0.949 363 M CB 2.541 35.288 32.600 0.245 0.000 1.756 363 M HN -0.097 nan 8.290 nan 0.000 0.494 364 E N 2.696 123.064 120.200 0.280 0.000 2.335 364 E HA 0.232 4.583 4.350 0.001 0.000 0.280 364 E C -1.898 174.788 176.600 0.143 0.000 0.918 364 E CA -0.510 56.046 56.400 0.259 0.000 0.765 364 E CB 2.389 32.206 29.700 0.196 0.000 1.218 364 E HN 0.748 nan 8.360 nan 0.000 0.425 365 Q N 4.223 124.075 119.800 0.087 0.000 2.402 365 Q HA 0.164 4.505 4.340 0.001 0.000 0.238 365 Q C 0.158 176.178 176.000 0.032 0.000 1.126 365 Q CA -0.209 55.615 55.803 0.035 0.000 0.904 365 Q CB 0.882 29.610 28.738 -0.017 0.000 1.357 365 Q HN 0.604 nan 8.270 nan 0.000 0.491 366 V N 3.739 123.676 119.914 0.038 0.000 2.379 366 V HA -0.072 4.049 4.120 0.001 0.000 0.245 366 V C 0.524 176.629 176.094 0.018 0.000 1.044 366 V CA 0.963 63.282 62.300 0.032 0.000 1.036 366 V CB 0.359 32.202 31.823 0.033 0.000 0.664 366 V HN 0.528 nan 8.190 nan 0.000 0.453 367 V N 0.324 120.246 119.914 0.013 0.000 2.482 367 V HA 0.740 4.861 4.120 0.001 0.000 0.295 367 V C 0.073 176.167 176.094 -0.000 0.000 1.026 367 V CA -0.695 61.608 62.300 0.006 0.000 0.856 367 V CB 1.167 32.994 31.823 0.007 0.000 1.001 367 V HN 0.324 nan 8.190 nan 0.000 0.424 368 A N 6.658 129.474 122.820 -0.007 0.000 2.366 368 A HA 0.684 5.005 4.320 0.001 0.000 0.249 368 A C -2.318 175.259 177.584 -0.012 0.000 1.084 368 A CA -1.185 50.843 52.037 -0.015 0.000 0.794 368 A CB -0.242 18.745 19.000 -0.022 0.000 1.034 368 A HN 0.685 nan 8.150 nan 0.000 0.491 369 P HA 0.198 nan 4.420 nan 0.000 0.258 369 P C -0.671 176.623 177.300 -0.011 0.000 1.172 369 P CA 0.665 63.758 63.100 -0.012 0.000 0.762 369 P CB 0.365 32.055 31.700 -0.016 0.000 0.764 370 V N 2.855 122.764 119.914 -0.008 0.000 3.178 370 V HA 0.927 5.048 4.120 0.001 0.000 0.302 370 V C -0.598 175.493 176.094 -0.005 0.000 1.262 370 V CA 0.192 62.488 62.300 -0.007 0.000 1.030 370 V CB 2.266 34.086 31.823 -0.005 0.000 1.074 370 V HN 0.793 nan 8.190 nan 0.000 0.438 371 G N 3.590 112.387 108.800 -0.005 0.000 2.352 371 G HA2 0.311 4.272 3.960 0.001 0.000 0.303 371 G HA3 0.311 4.272 3.960 0.001 0.000 0.303 371 G C -1.783 173.115 174.900 -0.004 0.000 1.593 371 G CA -0.625 44.473 45.100 -0.004 0.000 0.963 371 G HN 0.935 nan 8.290 nan 0.000 0.685 372 L N 0.801 122.022 121.223 -0.003 0.000 2.453 372 L HA 0.732 5.073 4.340 0.001 0.000 0.261 372 L C 1.296 178.164 176.870 -0.004 0.000 1.179 372 L CA 0.148 54.986 54.840 -0.003 0.000 0.813 372 L CB 1.401 43.459 42.059 -0.003 0.000 1.110 372 L HN 0.997 nan 8.230 nan 0.000 0.466 373 T N -1.401 113.151 114.554 -0.004 0.000 2.754 373 T HA 0.871 5.221 4.350 0.001 0.000 0.296 373 T C -0.450 174.248 174.700 -0.003 0.000 1.205 373 T CA -0.289 61.809 62.100 -0.004 0.000 1.009 373 T CB 2.017 70.882 68.868 -0.004 0.000 1.368 373 T HN 0.925 nan 8.240 nan 0.000 0.509 374 G N 0.000 108.798 108.800 -0.004 0.000 5.446 374 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 374 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 374 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 374 G HN 0.000 nan 8.290 nan 0.000 0.925