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 1z6l_1_A DATA FIRST_RESID 6 DATA SEQUENCE PAKKKVIIIG AGIAGLKAAS TLHQNGIQDC LVLEARDRVG GRLQTVTGYQ DATA SEQUENCE GRKYDIGASW HHDTLTNPLF LEEAQLSLND GRTRFVFDDD NFIYIDEERG DATA SEQUENCE RVDHDKELLL EIVDNEMSKF AELEFHQHLG VSDCSFFQLV MKYLLQRRQF DATA SEQUENCE LTNDQIRYLP QLCRYLELWH GLDWKLLSAK DTYFGHQGRN AFALNYDSVV DATA SEQUENCE QRIAQSFPQN WLKLScEVKS ITREPSKNVT VNcEDGTVYN ADYVIITVPQ DATA SEQUENCE SVLNLSVQPE KNLRGRIEFQ PPLKPVIQDA FDKIHFGALG KVIFEFEECC DATA SEQUENCE WSNESSKIVT LANSTNEFVE IVRNAENLDE LDSMLERXXX XXXTSVTCWS DATA SEQUENCE QPLFFVNLSK STGVASFMML MQAPLTNHIE SIREDKERLF SFFQPVLNKI DATA SEQUENCE MKCLDSEDVI DGMRPXXXXX XANKPVLRNI IVSNWTRDPY SRGAYSACFP DATA SEQUENCE XXXXVDMVVA MSNGQDSRIR FAGEHTIMDG AGCAYGAWES GRREATRISD DATA SEQUENCE LLKL 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.285 177.300 -0.025 0.000 1.155 6 P CA 0.000 63.066 63.100 -0.057 0.000 0.800 6 P CB 0.000 31.675 31.700 -0.041 0.000 0.726 7 A N 2.487 125.296 122.820 -0.018 0.000 2.580 7 A HA 0.215 4.534 4.320 -0.001 0.000 0.244 7 A C 0.570 178.192 177.584 0.062 0.000 1.045 7 A CA 0.459 52.522 52.037 0.042 0.000 0.761 7 A CB 0.337 19.404 19.000 0.111 0.000 0.962 7 A HN 0.255 nan 8.150 nan 0.000 0.512 8 K N 2.432 122.847 120.400 0.026 0.000 2.276 8 K HA 0.355 4.675 4.320 -0.001 0.000 0.283 8 K C -0.176 176.412 176.600 -0.020 0.000 1.044 8 K CA -0.016 56.273 56.287 0.002 0.000 0.944 8 K CB 0.951 33.445 32.500 -0.009 0.000 1.012 8 K HN 0.644 nan 8.250 nan 0.000 0.472 9 K N 2.287 122.659 120.400 -0.047 0.000 2.482 9 K HA 0.259 4.579 4.320 -0.001 0.000 0.257 9 K C 0.514 177.052 176.600 -0.104 0.000 0.969 9 K CA -0.849 55.371 56.287 -0.111 0.000 0.842 9 K CB 1.742 34.140 32.500 -0.171 0.000 1.359 9 K HN 0.125 nan 8.250 nan 0.000 0.441 10 K N 0.097 120.415 120.400 -0.136 0.000 2.029 10 K HA 0.146 4.466 4.320 -0.001 0.000 0.205 10 K C 0.162 176.728 176.600 -0.056 0.000 1.042 10 K CA 0.989 57.230 56.287 -0.077 0.000 0.949 10 K CB 0.372 32.820 32.500 -0.086 0.000 0.740 10 K HN 0.332 nan 8.250 nan 0.000 0.442 11 V N 1.980 121.798 119.914 -0.160 0.000 2.577 11 V HA 0.360 4.480 4.120 -0.001 0.000 0.303 11 V C -1.004 174.955 176.094 -0.226 0.000 1.042 11 V CA -0.913 61.305 62.300 -0.137 0.000 0.872 11 V CB 1.982 33.718 31.823 -0.146 0.000 0.998 11 V HN 0.017 nan 8.190 nan 0.000 0.423 12 I N 5.651 126.121 120.570 -0.167 0.000 2.330 12 I HA 0.472 4.641 4.170 -0.001 0.000 0.289 12 I C -0.125 175.897 176.117 -0.157 0.000 1.001 12 I CA -0.401 60.778 61.300 -0.202 0.000 1.193 12 I CB 1.592 39.487 38.000 -0.175 0.000 1.345 12 I HN 0.477 nan 8.210 nan 0.000 0.461 13 I N 6.997 127.465 120.570 -0.170 0.000 2.321 13 I HA 0.289 4.459 4.170 -0.001 0.000 0.291 13 I C -0.201 175.862 176.117 -0.090 0.000 0.998 13 I CA -0.742 60.487 61.300 -0.119 0.000 1.227 13 I CB 1.288 39.214 38.000 -0.124 0.000 1.368 13 I HN 0.287 nan 8.210 nan 0.000 0.466 14 I N 6.087 126.624 120.570 -0.055 0.000 2.301 14 I HA 0.548 4.717 4.170 -0.001 0.000 0.292 14 I C 0.622 176.743 176.117 0.006 0.000 1.046 14 I CA 0.076 61.358 61.300 -0.030 0.000 1.282 14 I CB 0.738 38.730 38.000 -0.013 0.000 1.409 14 I HN 0.771 nan 8.210 nan 0.000 0.484 15 G N 4.611 113.411 108.800 -0.001 0.000 3.367 15 G HA2 0.255 4.215 3.960 -0.001 0.000 0.686 15 G HA3 0.255 4.215 3.960 -0.001 0.000 0.686 15 G C -0.357 174.567 174.900 0.039 0.000 1.146 15 G CA -0.517 44.599 45.100 0.027 0.000 0.913 15 G HN 0.915 nan 8.290 nan 0.000 0.554 16 A N 1.669 124.521 122.820 0.053 0.000 3.181 16 A HA 0.778 5.097 4.320 -0.001 0.000 0.293 16 A C 1.244 178.889 177.584 0.102 0.000 1.346 16 A CA 0.989 53.077 52.037 0.086 0.000 1.018 16 A CB -0.200 18.858 19.000 0.097 0.000 1.093 16 A HN 2.056 nan 8.150 nan 0.000 0.629 17 G N -0.931 107.927 108.800 0.096 0.000 2.531 17 G HA2 0.422 4.382 3.960 -0.001 0.000 0.313 17 G HA3 0.422 4.382 3.960 -0.001 0.000 0.313 17 G C 0.855 175.822 174.900 0.111 0.000 1.238 17 G CA -0.478 44.681 45.100 0.098 0.000 0.994 17 G HN 0.338 nan 8.290 nan 0.000 0.493 18 I N 0.103 120.742 120.570 0.114 0.000 2.399 18 I HA -0.197 3.973 4.170 -0.001 0.000 0.254 18 I C 2.673 178.883 176.117 0.154 0.000 1.146 18 I CA 2.023 63.424 61.300 0.169 0.000 1.412 18 I CB 0.107 38.217 38.000 0.182 0.000 1.076 18 I HN 0.471 nan 8.210 nan 0.000 0.432 19 A N 0.060 122.944 122.820 0.107 0.000 1.840 19 A HA -0.014 4.305 4.320 -0.001 0.000 0.214 19 A C 2.398 179.994 177.584 0.019 0.000 1.198 19 A CA 1.407 53.481 52.037 0.062 0.000 0.608 19 A CB -1.614 17.429 19.000 0.072 0.000 0.839 19 A HN 0.450 nan 8.150 nan 0.000 0.443 20 G N -0.435 108.386 108.800 0.036 0.000 2.422 20 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.218 20 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.218 20 G C 1.551 176.446 174.900 -0.007 0.000 1.140 20 G CA 0.898 45.999 45.100 0.000 0.000 0.775 20 G HN 0.387 nan 8.290 nan 0.000 0.545 21 L N -0.123 121.145 121.223 0.075 0.000 2.046 21 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 21 L C 2.804 179.743 176.870 0.114 0.000 1.077 21 L CA 1.522 56.464 54.840 0.170 0.000 0.747 21 L CB -0.266 41.945 42.059 0.254 0.000 0.896 21 L HN 0.192 nan 8.230 nan 0.000 0.432 22 K N 0.535 120.959 120.400 0.041 0.000 2.097 22 K HA -0.085 4.234 4.320 -0.001 0.000 0.205 22 K C 1.960 178.479 176.600 -0.136 0.000 1.050 22 K CA 1.433 57.666 56.287 -0.090 0.000 0.938 22 K CB -0.286 31.997 32.500 -0.361 0.000 0.718 22 K HN 0.218 nan 8.250 nan 0.000 0.442 23 A N 0.796 123.542 122.820 -0.123 0.000 1.845 23 A HA -0.076 4.244 4.320 -0.001 0.000 0.215 23 A C 2.424 179.941 177.584 -0.111 0.000 1.195 23 A CA 2.303 54.265 52.037 -0.125 0.000 0.616 23 A CB -1.371 17.564 19.000 -0.107 0.000 0.832 23 A HN 0.412 nan 8.150 nan 0.000 0.443 24 A N -0.665 122.049 122.820 -0.176 0.000 1.859 24 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 24 A C 2.508 180.001 177.584 -0.152 0.000 1.198 24 A CA 2.740 54.615 52.037 -0.271 0.000 0.629 24 A CB -1.375 17.081 19.000 -0.907 0.000 0.830 24 A HN 0.716 nan 8.150 nan 0.000 0.446 25 S N -1.280 114.380 115.700 -0.067 0.000 2.389 25 S HA -0.242 4.228 4.470 -0.001 0.000 0.229 25 S C 2.106 176.772 174.600 0.110 0.000 1.048 25 S CA 2.686 60.997 58.200 0.186 0.000 1.117 25 S CB -0.954 62.380 63.200 0.223 0.000 1.020 25 S HN 0.649 nan 8.310 nan 0.000 0.430 26 T N 3.043 117.607 114.554 0.017 0.000 2.607 26 T HA -0.120 4.229 4.350 -0.001 0.000 0.267 26 T C 1.783 176.504 174.700 0.034 0.000 1.049 26 T CA 1.766 63.859 62.100 -0.012 0.000 1.162 26 T CB -0.773 68.041 68.868 -0.090 0.000 0.863 26 T HN 0.364 nan 8.240 nan 0.000 0.424 27 L N 0.083 121.335 121.223 0.048 0.000 2.123 27 L HA -0.291 4.049 4.340 -0.001 0.000 0.217 27 L C 2.545 179.553 176.870 0.230 0.000 1.081 27 L CA 1.900 56.810 54.840 0.117 0.000 0.772 27 L CB -0.633 41.517 42.059 0.152 0.000 0.890 27 L HN 0.543 nan 8.230 nan 0.000 0.437 28 H N -0.530 118.605 119.070 0.107 0.000 2.299 28 H HA -0.184 4.372 4.556 -0.001 0.000 0.302 28 H C 2.291 177.632 175.328 0.023 0.000 1.078 28 H CA 1.570 57.636 56.048 0.030 0.000 1.323 28 H CB 0.188 29.873 29.762 -0.128 0.000 1.381 28 H HN 0.376 nan 8.280 nan 0.000 0.498 29 Q N 0.139 119.919 119.800 -0.033 0.000 2.197 29 Q HA -0.147 4.193 4.340 -0.001 0.000 0.207 29 Q C 0.976 176.926 176.000 -0.084 0.000 0.984 29 Q CA 1.334 57.075 55.803 -0.103 0.000 0.869 29 Q CB 0.068 28.791 28.738 -0.025 0.000 0.906 29 Q HN 0.488 nan 8.270 nan 0.000 0.426 30 N N -0.882 117.799 118.700 -0.033 0.000 2.370 30 N HA 0.060 4.799 4.740 -0.001 0.000 0.198 30 N C 0.507 176.009 175.510 -0.013 0.000 1.156 30 N CA 0.861 53.897 53.050 -0.023 0.000 0.839 30 N CB 0.635 39.113 38.487 -0.015 0.000 0.989 30 N HN 0.347 nan 8.380 nan 0.000 0.468 31 G N 0.373 109.152 108.800 -0.035 0.000 2.168 31 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.257 31 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.257 31 G C 0.039 174.991 174.900 0.086 0.000 0.997 31 G CA -0.180 44.916 45.100 -0.006 0.000 0.708 31 G HN 0.240 nan 8.290 nan 0.000 0.520 32 I N 0.471 121.124 120.570 0.138 0.000 2.529 32 I HA 0.290 4.459 4.170 -0.001 0.000 0.284 32 I C 0.813 177.122 176.117 0.321 0.000 1.082 32 I CA 0.249 61.647 61.300 0.162 0.000 1.406 32 I CB 0.706 38.772 38.000 0.109 0.000 1.405 32 I HN 0.317 nan 8.210 nan 0.000 0.548 33 Q N 3.390 123.316 119.800 0.209 0.000 2.418 33 Q HA 0.329 4.668 4.340 -0.001 0.000 0.276 33 Q C -0.887 175.108 176.000 -0.007 0.000 1.081 33 Q CA -0.848 55.121 55.803 0.277 0.000 0.864 33 Q CB 1.718 30.589 28.738 0.223 0.000 1.384 33 Q HN 0.523 nan 8.270 nan 0.000 0.467 34 D N 0.078 120.436 120.400 -0.070 0.000 2.760 34 D HA -0.146 4.494 4.640 -0.001 0.000 0.244 34 D C -1.165 174.791 176.300 -0.574 0.000 1.123 34 D CA 0.536 54.378 54.000 -0.263 0.000 0.719 34 D CB -1.472 39.257 40.800 -0.119 0.000 1.045 34 D HN 0.371 nan 8.370 nan 0.000 0.426 35 C N 0.509 119.049 119.300 -1.266 0.000 2.667 35 C HA 0.781 5.240 4.460 -0.001 0.000 0.323 35 C C 0.001 174.294 174.990 -1.162 0.000 1.214 35 C CA -0.760 57.477 59.018 -1.302 0.000 1.721 35 C CB 1.879 28.607 27.740 -1.687 0.000 2.275 35 C HN 0.389 nan 8.230 nan 0.000 0.491 36 L N 1.777 122.605 121.223 -0.658 0.000 2.401 36 L HA 0.692 5.031 4.340 -0.001 0.000 0.266 36 L C -0.665 176.039 176.870 -0.277 0.000 0.991 36 L CA -0.194 54.387 54.840 -0.432 0.000 0.818 36 L CB 2.121 43.865 42.059 -0.526 0.000 1.321 36 L HN 0.475 nan 8.230 nan 0.000 0.413 37 V N 4.875 124.707 119.914 -0.137 0.000 2.284 37 V HA 0.388 4.507 4.120 -0.001 0.000 0.274 37 V C -0.156 175.902 176.094 -0.061 0.000 1.023 37 V CA -0.526 61.730 62.300 -0.075 0.000 0.808 37 V CB 1.128 32.966 31.823 0.025 0.000 1.035 37 V HN 0.457 nan 8.190 nan 0.000 0.445 38 L N 4.304 125.470 121.223 -0.096 0.000 2.283 38 L HA 0.559 4.899 4.340 -0.001 0.000 0.287 38 L C 0.091 176.932 176.870 -0.048 0.000 1.073 38 L CA -0.102 54.693 54.840 -0.074 0.000 0.822 38 L CB 0.979 42.986 42.059 -0.086 0.000 1.186 38 L HN 0.584 nan 8.230 nan 0.000 0.436 39 E N 2.535 122.712 120.200 -0.038 0.000 2.187 39 E HA 0.483 4.832 4.350 -0.001 0.000 0.268 39 E C 0.234 176.763 176.600 -0.118 0.000 0.896 39 E CA -0.347 56.020 56.400 -0.055 0.000 0.766 39 E CB 2.055 31.751 29.700 -0.007 0.000 1.142 39 E HN 0.517 nan 8.360 nan 0.000 0.408 40 A N 5.034 127.703 122.820 -0.251 0.000 1.930 40 A HA 0.008 4.327 4.320 -0.001 0.000 0.217 40 A C 0.931 178.320 177.584 -0.324 0.000 1.175 40 A CA 0.888 52.647 52.037 -0.464 0.000 0.627 40 A CB -0.249 18.014 19.000 -1.229 0.000 0.815 40 A HN 0.617 nan 8.150 nan 0.000 0.443 41 R N 0.264 120.648 120.500 -0.194 0.000 2.652 41 R HA 0.280 4.619 4.340 -0.001 0.000 0.271 41 R C 0.052 176.351 176.300 -0.002 0.000 1.129 41 R CA 0.229 56.313 56.100 -0.026 0.000 1.200 41 R CB 0.128 30.462 30.300 0.056 0.000 1.146 41 R HN 0.434 nan 8.270 nan 0.000 0.581 42 D N 0.153 120.570 120.400 0.028 0.000 2.413 42 D HA -0.001 4.638 4.640 -0.001 0.000 0.237 42 D C -0.176 176.143 176.300 0.032 0.000 1.171 42 D CA -0.153 53.863 54.000 0.026 0.000 0.839 42 D CB -0.114 40.703 40.800 0.029 0.000 0.950 42 D HN 0.478 nan 8.370 nan 0.000 0.499 43 R N -1.706 118.817 120.500 0.039 0.000 2.733 43 R HA 0.596 4.936 4.340 -0.001 0.000 0.272 43 R C -1.037 175.299 176.300 0.061 0.000 1.029 43 R CA -1.086 55.043 56.100 0.049 0.000 0.888 43 R CB 0.856 31.191 30.300 0.057 0.000 1.251 43 R HN -0.073 nan 8.270 nan 0.000 0.464 44 V N -2.270 117.685 119.914 0.069 0.000 3.267 44 V HA 0.887 5.006 4.120 -0.001 0.000 0.317 44 V C 0.901 177.053 176.094 0.096 0.000 1.131 44 V CA 0.351 62.703 62.300 0.085 0.000 1.031 44 V CB 0.777 32.655 31.823 0.092 0.000 1.159 44 V HN 1.227 nan 8.190 nan 0.000 0.454 45 G N -0.836 108.026 108.800 0.104 0.000 2.397 45 G HA2 0.146 4.105 3.960 -0.001 0.000 0.211 45 G HA3 0.146 4.105 3.960 -0.001 0.000 0.211 45 G C 1.726 176.684 174.900 0.096 0.000 1.077 45 G CA 0.847 46.007 45.100 0.099 0.000 0.649 45 G HN 2.760 nan 8.290 nan 0.000 0.511 46 G N 0.469 109.348 108.800 0.131 0.000 2.565 46 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.295 46 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.295 46 G C 0.791 175.785 174.900 0.156 0.000 1.165 46 G CA 1.285 46.476 45.100 0.151 0.000 0.977 46 G HN 1.238 nan 8.290 nan 0.000 0.546 47 R N 0.246 120.727 120.500 -0.033 0.000 2.346 47 R HA 0.253 4.592 4.340 -0.001 0.000 0.199 47 R C 0.368 176.513 176.300 -0.259 0.000 1.015 47 R CA 0.196 56.073 56.100 -0.372 0.000 1.058 47 R CB -0.334 29.696 30.300 -0.449 0.000 0.921 47 R HN 0.332 nan 8.270 nan 0.000 0.475 48 L N 1.320 122.499 121.223 -0.073 0.000 2.318 48 L HA 0.365 4.705 4.340 -0.001 0.000 0.277 48 L C -0.561 176.363 176.870 0.090 0.000 1.008 48 L CA -0.345 54.441 54.840 -0.090 0.000 0.846 48 L CB 1.442 43.405 42.059 -0.161 0.000 1.220 48 L HN 0.067 nan 8.230 nan 0.000 0.423 49 Q N 2.356 122.259 119.800 0.172 0.000 2.289 49 Q HA 0.427 4.766 4.340 -0.001 0.000 0.270 49 Q C -1.499 174.594 176.000 0.156 0.000 1.038 49 Q CA -0.508 55.413 55.803 0.196 0.000 0.812 49 Q CB 2.806 31.718 28.738 0.289 0.000 1.300 49 Q HN 0.534 nan 8.270 nan 0.000 0.427 50 T N 3.227 117.847 114.554 0.110 0.000 2.788 50 T HA 0.432 4.781 4.350 -0.001 0.000 0.296 50 T C 0.103 174.852 174.700 0.081 0.000 1.009 50 T CA -0.526 61.628 62.100 0.091 0.000 0.949 50 T CB 0.801 69.702 68.868 0.056 0.000 0.946 50 T HN 0.482 nan 8.240 nan 0.000 0.453 51 V N 1.615 121.592 119.914 0.105 0.000 2.997 51 V HA 0.801 4.921 4.120 -0.001 0.000 0.311 51 V C 0.047 176.212 176.094 0.119 0.000 1.066 51 V CA -0.599 61.757 62.300 0.093 0.000 1.039 51 V CB 1.406 33.276 31.823 0.078 0.000 1.081 51 V HN 0.743 nan 8.190 nan 0.000 0.467 52 T N 1.928 116.538 114.554 0.094 0.000 2.888 52 T HA 0.834 5.184 4.350 -0.001 0.000 0.284 52 T C 0.192 174.975 174.700 0.139 0.000 1.017 52 T CA 0.285 62.443 62.100 0.097 0.000 1.022 52 T CB 1.392 70.287 68.868 0.045 0.000 1.013 52 T HN 1.393 nan 8.240 nan 0.000 0.465 53 G N 0.057 108.974 108.800 0.195 0.000 2.870 53 G HA2 0.472 4.431 3.960 -0.001 0.000 0.299 53 G HA3 0.472 4.431 3.960 -0.001 0.000 0.299 53 G C -1.249 173.779 174.900 0.213 0.000 1.324 53 G CA -0.866 44.363 45.100 0.215 0.000 0.808 53 G HN 0.598 nan 8.290 nan 0.000 0.535 54 Y N 1.684 122.039 120.300 0.092 0.000 2.822 54 Y HA -0.159 4.391 4.550 -0.001 0.000 0.389 54 Y C 1.479 177.423 175.900 0.074 0.000 1.228 54 Y CA 2.131 60.272 58.100 0.068 0.000 1.621 54 Y CB -0.354 38.141 38.460 0.059 0.000 1.100 54 Y HN 0.695 nan 8.280 nan 0.000 0.527 55 Q N 3.109 122.668 119.800 -0.402 0.000 2.475 55 Q HA -0.285 4.055 4.340 -0.001 0.000 0.280 55 Q C 1.126 177.055 176.000 -0.118 0.000 1.234 55 Q CA 0.829 56.437 55.803 -0.324 0.000 0.873 55 Q CB -1.953 26.511 28.738 -0.458 0.000 1.256 55 Q HN 1.420 nan 8.270 nan 0.000 0.475 56 G N -0.278 108.487 108.800 -0.057 0.000 2.199 56 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.254 56 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.254 56 G C 0.186 175.071 174.900 -0.026 0.000 0.982 56 G CA 0.237 45.317 45.100 -0.033 0.000 0.632 56 G HN 0.353 nan 8.290 nan 0.000 0.529 57 R N 0.730 121.235 120.500 0.009 0.000 2.640 57 R HA 0.428 4.768 4.340 -0.001 0.000 0.270 57 R C 0.305 176.483 176.300 -0.205 0.000 1.024 57 R CA 0.552 56.608 56.100 -0.073 0.000 1.085 57 R CB 0.386 30.748 30.300 0.103 0.000 0.963 57 R HN 0.323 nan 8.270 nan 0.000 0.426 58 K N 2.185 122.305 120.400 -0.467 0.000 2.267 58 K HA 0.459 4.779 4.320 -0.001 0.000 0.246 58 K C -1.298 174.818 176.600 -0.806 0.000 0.954 58 K CA -0.711 55.341 56.287 -0.391 0.000 0.824 58 K CB 1.743 34.138 32.500 -0.175 0.000 1.167 58 K HN 0.370 nan 8.250 nan 0.000 0.431 59 Y N -0.347 119.987 120.300 0.056 0.000 2.519 59 Y HA 0.170 4.720 4.550 -0.001 0.000 0.336 59 Y C -0.847 175.077 175.900 0.040 0.000 1.089 59 Y CA -1.222 56.917 58.100 0.065 0.000 1.025 59 Y CB 1.587 40.090 38.460 0.071 0.000 1.318 59 Y HN 0.448 nan 8.280 nan 0.000 0.452 60 D N 2.422 122.906 120.400 0.141 0.000 2.339 60 D HA 0.155 4.795 4.640 -0.001 0.000 0.241 60 D C 0.411 176.798 176.300 0.145 0.000 1.183 60 D CA 0.150 54.205 54.000 0.092 0.000 0.859 60 D CB 1.663 42.455 40.800 -0.014 0.000 1.067 60 D HN 0.520 nan 8.370 nan 0.000 0.484 61 I N 2.307 122.999 120.570 0.203 0.000 3.684 61 I HA 0.116 4.286 4.170 -0.001 0.000 0.304 61 I C 1.247 177.644 176.117 0.468 0.000 1.278 61 I CA 0.327 61.781 61.300 0.257 0.000 1.272 61 I CB 0.104 38.204 38.000 0.167 0.000 1.029 61 I HN 0.386 nan 8.210 nan 0.000 0.458 62 G N -0.682 108.332 108.800 0.357 0.000 3.341 62 G HA2 0.594 4.553 3.960 -0.001 0.000 0.177 62 G HA3 0.594 4.553 3.960 -0.001 0.000 0.177 62 G C -0.170 174.727 174.900 -0.005 0.000 1.236 62 G CA 0.047 45.248 45.100 0.167 0.000 0.888 62 G HN 0.321 nan 8.290 nan 0.000 0.644 63 A N -0.828 121.879 122.820 -0.188 0.000 2.555 63 A HA 0.493 4.813 4.320 -0.001 0.000 0.233 63 A C 0.973 178.479 177.584 -0.130 0.000 1.060 63 A CA 1.123 53.016 52.037 -0.241 0.000 0.759 63 A CB 0.497 19.110 19.000 -0.646 0.000 0.995 63 A HN 0.653 nan 8.150 nan 0.000 0.506 64 S N -0.207 115.439 115.700 -0.090 0.000 2.648 64 S HA 0.194 4.663 4.470 -0.001 0.000 0.270 64 S C -0.186 174.023 174.600 -0.652 0.000 1.082 64 S CA -0.294 57.628 58.200 -0.463 0.000 1.116 64 S CB 0.162 62.845 63.200 -0.863 0.000 1.040 64 S HN 0.725 nan 8.310 nan 0.000 0.572 65 W N 1.936 123.153 121.300 -0.138 0.000 2.799 65 W HA 0.499 5.159 4.660 -0.001 0.000 0.349 65 W C -0.529 175.653 176.519 -0.562 0.000 1.100 65 W CA -0.531 56.599 57.345 -0.358 0.000 1.174 65 W CB 0.417 29.696 29.460 -0.302 0.000 1.427 65 W HN 0.087 nan 8.180 nan 0.000 0.547 66 H N 2.088 121.069 119.070 -0.148 0.000 2.597 66 H HA 0.224 4.780 4.556 -0.001 0.000 0.303 66 H C 0.231 175.362 175.328 -0.328 0.000 1.057 66 H CA -0.072 55.849 56.048 -0.212 0.000 1.261 66 H CB 0.684 30.297 29.762 -0.248 0.000 1.397 66 H HN 0.198 nan 8.280 nan 0.000 0.461 67 H N 1.696 120.794 119.070 0.046 0.000 2.499 67 H HA 0.032 4.587 4.556 -0.001 0.000 0.352 67 H C 0.348 175.600 175.328 -0.126 0.000 1.237 67 H CA -0.433 55.541 56.048 -0.125 0.000 1.343 67 H CB 0.826 30.568 29.762 -0.034 0.000 1.578 67 H HN 0.621 nan 8.280 nan 0.000 0.577 68 D N 0.441 120.824 120.400 -0.029 0.000 2.697 68 D HA -0.148 4.492 4.640 -0.001 0.000 0.235 68 D C 0.868 177.036 176.300 -0.220 0.000 1.167 68 D CA 1.089 55.057 54.000 -0.052 0.000 0.656 68 D CB -1.776 39.072 40.800 0.081 0.000 1.025 68 D HN 0.757 nan 8.370 nan 0.000 0.419 69 T N -3.091 111.240 114.554 -0.370 0.000 3.219 69 T HA -0.011 4.338 4.350 -0.001 0.000 0.264 69 T C 1.821 176.387 174.700 -0.223 0.000 1.178 69 T CA 0.199 61.921 62.100 -0.629 0.000 1.057 69 T CB 0.055 68.224 68.868 -1.165 0.000 0.919 69 T HN 0.425 nan 8.240 nan 0.000 0.545 70 L N 1.040 122.197 121.223 -0.111 0.000 2.477 70 L HA 0.176 4.515 4.340 -0.001 0.000 0.220 70 L C 2.155 179.017 176.870 -0.014 0.000 1.106 70 L CA 1.136 55.962 54.840 -0.024 0.000 0.851 70 L CB 0.182 42.237 42.059 -0.007 0.000 0.994 70 L HN 0.540 nan 8.230 nan 0.000 0.462 71 T N -6.042 108.477 114.554 -0.060 0.000 3.328 71 T HA 0.093 4.442 4.350 -0.001 0.000 0.305 71 T C 0.413 175.005 174.700 -0.180 0.000 0.939 71 T CA -0.438 61.624 62.100 -0.063 0.000 0.950 71 T CB -0.312 68.545 68.868 -0.018 0.000 1.182 71 T HN -0.085 nan 8.240 nan 0.000 0.545 72 N N 3.955 122.482 118.700 -0.287 0.000 2.421 72 N HA 0.173 4.913 4.740 -0.001 0.000 0.260 72 N C -1.232 174.078 175.510 -0.334 0.000 1.173 72 N CA -1.869 50.835 53.050 -0.576 0.000 0.960 72 N CB 1.518 39.689 38.487 -0.526 0.000 1.273 72 N HN 0.161 nan 8.380 nan 0.000 0.497 73 P HA -0.214 nan 4.420 nan 0.000 0.216 73 P C 1.614 178.621 177.300 -0.489 0.000 1.153 73 P CA 0.744 63.706 63.100 -0.230 0.000 0.858 73 P CB 0.412 32.113 31.700 0.003 0.000 0.789 74 L N -1.020 119.722 121.223 -0.801 0.000 2.046 74 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 74 L C 2.532 179.112 176.870 -0.484 0.000 1.077 74 L CA 1.677 55.969 54.840 -0.915 0.000 0.747 74 L CB -1.711 39.838 42.059 -0.850 0.000 0.896 74 L HN -0.183 nan 8.230 nan 0.000 0.432 75 F N -0.127 119.519 119.950 -0.506 0.000 2.051 75 F HA -0.213 4.313 4.527 -0.001 0.000 0.296 75 F C 2.097 177.632 175.800 -0.442 0.000 1.122 75 F CA 2.030 59.652 58.000 -0.629 0.000 1.201 75 F CB -0.613 38.035 39.000 -0.587 0.000 0.978 75 F HN 0.056 nan 8.300 nan 0.000 0.472 76 L N 0.371 121.295 121.223 -0.499 0.000 2.013 76 L HA -0.282 4.057 4.340 -0.001 0.000 0.212 76 L C 2.570 179.216 176.870 -0.374 0.000 1.073 76 L CA 2.136 56.723 54.840 -0.421 0.000 0.753 76 L CB -1.087 40.887 42.059 -0.142 0.000 0.890 76 L HN 0.321 nan 8.230 nan 0.000 0.432 77 E N 0.052 120.076 120.200 -0.292 0.000 2.130 77 E HA -0.260 4.089 4.350 -0.001 0.000 0.196 77 E C 2.047 178.523 176.600 -0.206 0.000 0.998 77 E CA 1.366 57.655 56.400 -0.184 0.000 0.806 77 E CB 0.114 29.740 29.700 -0.125 0.000 0.738 77 E HN 0.436 nan 8.360 nan 0.000 0.459 78 E N -0.027 119.976 120.200 -0.328 0.000 2.072 78 E HA -0.125 4.225 4.350 -0.001 0.000 0.190 78 E C 2.054 178.561 176.600 -0.156 0.000 0.982 78 E CA 0.877 57.135 56.400 -0.237 0.000 0.803 78 E CB -0.213 29.312 29.700 -0.291 0.000 0.755 78 E HN 0.384 nan 8.360 nan 0.000 0.453 79 A N 1.344 123.963 122.820 -0.336 0.000 1.940 79 A HA -0.277 4.042 4.320 -0.001 0.000 0.219 79 A C 2.186 179.725 177.584 -0.073 0.000 1.176 79 A CA 1.994 53.969 52.037 -0.103 0.000 0.631 79 A CB -0.533 18.244 19.000 -0.372 0.000 0.814 79 A HN 0.165 nan 8.150 nan 0.000 0.446 80 Q N 0.077 119.802 119.800 -0.124 0.000 2.002 80 Q HA -0.136 4.204 4.340 -0.001 0.000 0.204 80 Q C 1.857 177.823 176.000 -0.058 0.000 0.988 80 Q CA 2.045 57.804 55.803 -0.073 0.000 0.843 80 Q CB -0.550 28.145 28.738 -0.071 0.000 0.908 80 Q HN 0.640 nan 8.270 nan 0.000 0.420 81 L N -0.046 121.138 121.223 -0.065 0.000 2.189 81 L HA -0.199 4.141 4.340 -0.001 0.000 0.214 81 L C 2.252 179.082 176.870 -0.067 0.000 1.097 81 L CA 1.249 56.056 54.840 -0.056 0.000 0.764 81 L CB -0.387 41.639 42.059 -0.054 0.000 0.900 81 L HN 0.190 nan 8.230 nan 0.000 0.436 82 S N -0.572 115.080 115.700 -0.080 0.000 2.478 82 S HA 0.006 4.476 4.470 -0.001 0.000 0.222 82 S C 1.662 176.221 174.600 -0.068 0.000 1.008 82 S CA 0.175 58.311 58.200 -0.108 0.000 0.928 82 S CB 0.084 63.166 63.200 -0.197 0.000 0.781 82 S HN 0.225 nan 8.310 nan 0.000 0.518 83 L N 2.106 123.304 121.223 -0.042 0.000 2.395 83 L HA 0.199 4.539 4.340 -0.001 0.000 0.218 83 L C 0.762 177.615 176.870 -0.028 0.000 1.130 83 L CA 1.267 56.093 54.840 -0.025 0.000 0.826 83 L CB -0.301 41.750 42.059 -0.014 0.000 0.941 83 L HN 0.116 nan 8.230 nan 0.000 0.451 84 N N -0.377 118.302 118.700 -0.035 0.000 2.236 84 N HA 0.061 4.800 4.740 -0.001 0.000 0.196 84 N C 0.082 175.572 175.510 -0.034 0.000 1.114 84 N CA 0.865 53.897 53.050 -0.030 0.000 0.859 84 N CB 0.358 38.829 38.487 -0.027 0.000 0.982 84 N HN 0.572 nan 8.380 nan 0.000 0.493 85 D N -3.016 117.358 120.400 -0.043 0.000 2.489 85 D HA 0.101 4.740 4.640 -0.001 0.000 0.343 85 D C 0.971 177.241 176.300 -0.051 0.000 1.295 85 D CA 0.286 54.260 54.000 -0.044 0.000 0.908 85 D CB -0.562 40.211 40.800 -0.045 0.000 1.382 85 D HN -0.014 nan 8.370 nan 0.000 0.468 86 G N 1.075 109.840 108.800 -0.058 0.000 2.168 86 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.257 86 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.257 86 G C 0.000 174.850 174.900 -0.084 0.000 0.997 86 G CA 0.150 45.212 45.100 -0.064 0.000 0.708 86 G HN 0.402 nan 8.290 nan 0.000 0.520 87 R N 0.598 121.037 120.500 -0.102 0.000 2.234 87 R HA 0.330 4.669 4.340 -0.001 0.000 0.324 87 R C -0.058 176.131 176.300 -0.185 0.000 1.054 87 R CA -0.193 55.837 56.100 -0.118 0.000 0.912 87 R CB 0.647 30.886 30.300 -0.101 0.000 1.030 87 R HN 0.148 nan 8.270 nan 0.000 0.455 88 T N 4.497 118.949 114.554 -0.170 0.000 2.751 88 T HA 0.120 4.470 4.350 -0.001 0.000 0.290 88 T C 1.286 175.840 174.700 -0.243 0.000 0.919 88 T CA 0.206 62.170 62.100 -0.227 0.000 1.136 88 T CB 0.422 69.215 68.868 -0.125 0.000 0.875 88 T HN 0.410 nan 8.240 nan 0.000 0.532 89 R N 1.769 122.021 120.500 -0.414 0.000 2.316 89 R HA 0.248 4.587 4.340 -0.001 0.000 0.201 89 R C -0.080 176.149 176.300 -0.119 0.000 0.888 89 R CA 0.318 56.262 56.100 -0.259 0.000 1.041 89 R CB 0.560 30.729 30.300 -0.218 0.000 1.115 89 R HN 0.635 nan 8.270 nan 0.000 0.559 90 F N -2.612 117.341 119.950 0.006 0.000 2.664 90 F HA 0.676 5.202 4.527 -0.001 0.000 0.317 90 F C -1.029 174.843 175.800 0.119 0.000 1.108 90 F CA -1.806 56.216 58.000 0.037 0.000 0.957 90 F CB 1.317 40.345 39.000 0.046 0.000 1.365 90 F HN -0.350 nan 8.300 nan 0.000 0.475 91 V N 2.236 122.442 119.914 0.486 0.000 2.559 91 V HA 0.452 4.571 4.120 -0.001 0.000 0.289 91 V C -1.463 174.870 176.094 0.399 0.000 1.036 91 V CA -0.743 61.819 62.300 0.436 0.000 0.887 91 V CB 0.906 32.911 31.823 0.304 0.000 1.022 91 V HN 0.667 nan 8.190 nan 0.000 0.442 92 F N 6.358 126.503 119.950 0.325 0.000 2.519 92 F HA 0.211 4.737 4.527 -0.001 0.000 0.381 92 F C 1.343 177.251 175.800 0.181 0.000 1.076 92 F CA 0.307 58.432 58.000 0.208 0.000 1.095 92 F CB 0.443 39.523 39.000 0.134 0.000 1.046 92 F HN 0.736 nan 8.300 nan 0.000 0.559 93 D N 0.564 121.147 120.400 0.304 0.000 2.501 93 D HA 0.015 4.655 4.640 -0.001 0.000 0.226 93 D C -0.258 176.142 176.300 0.167 0.000 1.198 93 D CA -0.278 53.852 54.000 0.217 0.000 0.830 93 D CB -0.388 40.519 40.800 0.179 0.000 1.014 93 D HN 0.218 nan 8.370 nan 0.000 0.496 94 D N 1.035 121.537 120.400 0.170 0.000 2.389 94 D HA 0.203 4.842 4.640 -0.001 0.000 0.247 94 D C -0.226 176.136 176.300 0.104 0.000 1.128 94 D CA 0.567 54.644 54.000 0.128 0.000 0.884 94 D CB 1.573 42.449 40.800 0.126 0.000 1.194 94 D HN 0.183 nan 8.370 nan 0.000 0.441 95 D N 0.483 120.932 120.400 0.082 0.000 2.732 95 D HA 0.184 4.823 4.640 -0.001 0.000 0.292 95 D C -0.872 175.487 176.300 0.098 0.000 1.135 95 D CA -0.552 53.475 54.000 0.046 0.000 1.071 95 D CB 1.419 42.199 40.800 -0.033 0.000 1.457 95 D HN 0.108 nan 8.370 nan 0.000 0.547 96 N N 1.000 119.735 118.700 0.058 0.000 2.406 96 N HA 0.164 4.903 4.740 -0.001 0.000 0.251 96 N C -0.324 175.238 175.510 0.087 0.000 1.069 96 N CA -0.118 52.994 53.050 0.103 0.000 0.947 96 N CB 0.152 38.653 38.487 0.023 0.000 1.111 96 N HN 0.198 nan 8.380 nan 0.000 0.497 97 F N 1.714 121.592 119.950 -0.119 0.000 2.629 97 F HA 0.053 4.579 4.527 -0.001 0.000 0.377 97 F C 1.271 176.817 175.800 -0.424 0.000 1.101 97 F CA 0.207 58.013 58.000 -0.323 0.000 1.301 97 F CB 0.277 38.919 39.000 -0.597 0.000 1.062 97 F HN 0.255 nan 8.300 nan 0.000 0.583 98 I N 4.822 125.220 120.570 -0.286 0.000 2.321 98 I HA 0.198 4.368 4.170 -0.001 0.000 0.291 98 I C -0.922 175.050 176.117 -0.242 0.000 0.998 98 I CA -0.638 60.554 61.300 -0.181 0.000 1.227 98 I CB 0.766 38.693 38.000 -0.122 0.000 1.368 98 I HN 0.402 nan 8.210 nan 0.000 0.466 99 Y N 6.627 127.005 120.300 0.131 0.000 2.341 99 Y HA 0.570 5.119 4.550 -0.001 0.000 0.337 99 Y C 0.046 176.003 175.900 0.094 0.000 1.014 99 Y CA -0.663 57.522 58.100 0.140 0.000 1.111 99 Y CB 1.469 40.008 38.460 0.132 0.000 1.194 99 Y HN 0.330 nan 8.280 nan 0.000 0.462 100 I N 3.163 123.892 120.570 0.265 0.000 2.410 100 I HA 0.195 4.365 4.170 -0.001 0.000 0.286 100 I C -0.902 175.372 176.117 0.260 0.000 1.009 100 I CA -0.623 60.798 61.300 0.201 0.000 1.111 100 I CB 1.598 39.694 38.000 0.161 0.000 1.262 100 I HN 0.608 nan 8.210 nan 0.000 0.443 101 D N 4.203 124.688 120.400 0.142 0.000 2.225 101 D HA 0.070 4.709 4.640 -0.001 0.000 0.249 101 D C 1.102 177.368 176.300 -0.056 0.000 1.052 101 D CA -0.216 53.846 54.000 0.102 0.000 0.909 101 D CB 1.514 42.340 40.800 0.044 0.000 1.186 101 D HN 0.608 nan 8.370 nan 0.000 0.431 102 E N 2.059 122.002 120.200 -0.429 0.000 2.110 102 E HA -0.241 4.109 4.350 -0.001 0.000 0.193 102 E C 1.224 177.607 176.600 -0.362 0.000 0.988 102 E CA 1.084 56.977 56.400 -0.846 0.000 0.804 102 E CB 0.200 28.868 29.700 -1.719 0.000 0.745 102 E HN 0.683 nan 8.360 nan 0.000 0.458 103 E N 0.482 120.545 120.200 -0.228 0.000 2.021 103 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 103 E C 1.924 178.489 176.600 -0.058 0.000 0.971 103 E CA 0.199 56.532 56.400 -0.110 0.000 0.825 103 E CB -0.145 29.531 29.700 -0.040 0.000 0.788 103 E HN 0.013 nan 8.360 nan 0.000 0.460 104 R N 0.596 121.075 120.500 -0.034 0.000 2.346 104 R HA 0.024 4.363 4.340 -0.001 0.000 0.208 104 R C 0.857 177.113 176.300 -0.074 0.000 1.052 104 R CA 0.586 56.646 56.100 -0.066 0.000 1.116 104 R CB -0.771 29.443 30.300 -0.143 0.000 1.003 104 R HN 0.473 nan 8.270 nan 0.000 0.482 105 G N 1.224 109.998 108.800 -0.044 0.000 2.634 105 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.309 105 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.309 105 G C -0.494 174.405 174.900 -0.001 0.000 1.265 105 G CA 0.207 45.301 45.100 -0.010 0.000 0.998 105 G HN 0.480 nan 8.290 nan 0.000 0.551 106 R N 0.357 120.863 120.500 0.010 0.000 2.442 106 R HA 0.383 4.723 4.340 -0.001 0.000 0.291 106 R C 1.193 177.497 176.300 0.007 0.000 1.069 106 R CA 0.446 56.567 56.100 0.034 0.000 1.022 106 R CB 0.996 31.322 30.300 0.043 0.000 0.976 106 R HN 0.931 nan 8.270 nan 0.000 0.443 107 V N -1.892 118.046 119.914 0.040 0.000 3.432 107 V HA 0.069 4.188 4.120 -0.001 0.000 0.298 107 V C 0.384 176.534 176.094 0.094 0.000 1.464 107 V CA -0.424 61.865 62.300 -0.018 0.000 1.046 107 V CB -0.142 31.582 31.823 -0.165 0.000 0.887 107 V HN 0.703 nan 8.190 nan 0.000 0.441 108 D N 0.246 120.779 120.400 0.222 0.000 2.360 108 D HA -0.033 4.607 4.640 -0.001 0.000 0.242 108 D C 0.688 177.142 176.300 0.256 0.000 1.184 108 D CA 0.114 54.316 54.000 0.337 0.000 0.930 108 D CB 0.061 41.086 40.800 0.376 0.000 1.161 108 D HN 0.421 nan 8.370 nan 0.000 0.447 109 H N -0.273 118.881 119.070 0.140 0.000 2.404 109 H HA -0.232 4.324 4.556 -0.001 0.000 0.323 109 H C -0.814 174.549 175.328 0.058 0.000 1.029 109 H CA 0.734 56.835 56.048 0.089 0.000 1.111 109 H CB -0.759 29.052 29.762 0.082 0.000 1.524 109 H HN 0.473 nan 8.280 nan 0.000 0.394 110 D N 1.336 121.720 120.400 -0.027 0.000 2.249 110 D HA 0.045 4.684 4.640 -0.001 0.000 0.246 110 D C 1.344 177.580 176.300 -0.107 0.000 1.114 110 D CA -0.146 53.815 54.000 -0.065 0.000 0.854 110 D CB 0.837 41.620 40.800 -0.028 0.000 1.132 110 D HN 0.682 nan 8.370 nan 0.000 0.461 111 K N 2.795 123.122 120.400 -0.121 0.000 2.362 111 K HA -0.169 4.150 4.320 -0.001 0.000 0.200 111 K C 1.189 177.761 176.600 -0.047 0.000 1.046 111 K CA 1.157 57.385 56.287 -0.099 0.000 0.952 111 K CB 0.271 32.720 32.500 -0.085 0.000 0.753 111 K HN 0.320 nan 8.250 nan 0.000 0.466 112 E N 1.416 121.597 120.200 -0.032 0.000 2.175 112 E HA 0.034 4.383 4.350 -0.001 0.000 0.195 112 E C 2.004 178.605 176.600 0.002 0.000 0.934 112 E CA 0.093 56.487 56.400 -0.010 0.000 0.870 112 E CB -0.341 29.356 29.700 -0.005 0.000 0.838 112 E HN 0.236 nan 8.360 nan 0.000 0.474 113 L N 0.816 122.037 121.223 -0.003 0.000 2.109 113 L HA 0.097 4.436 4.340 -0.001 0.000 0.207 113 L C 0.956 177.838 176.870 0.021 0.000 1.086 113 L CA 0.747 55.596 54.840 0.015 0.000 0.760 113 L CB -0.537 41.516 42.059 -0.011 0.000 0.910 113 L HN 0.256 nan 8.230 nan 0.000 0.437 114 L N -0.071 121.153 121.223 0.002 0.000 3.742 114 L HA -0.293 4.047 4.340 -0.001 0.000 0.431 114 L C 1.530 178.416 176.870 0.027 0.000 1.220 114 L CA -0.251 54.595 54.840 0.009 0.000 0.863 114 L CB -1.567 40.500 42.059 0.014 0.000 1.751 114 L HN 0.323 nan 8.230 nan 0.000 0.922 115 L N -0.448 120.785 121.223 0.017 0.000 1.990 115 L HA -0.240 4.100 4.340 -0.001 0.000 0.213 115 L C 2.264 179.131 176.870 -0.005 0.000 1.072 115 L CA 2.093 56.933 54.840 0.000 0.000 0.755 115 L CB -0.200 41.823 42.059 -0.061 0.000 0.889 115 L HN 0.408 nan 8.230 nan 0.000 0.432 116 E N 0.090 120.296 120.200 0.009 0.000 2.267 116 E HA -0.179 4.170 4.350 -0.001 0.000 0.197 116 E C 2.043 178.670 176.600 0.044 0.000 0.998 116 E CA 0.993 57.412 56.400 0.032 0.000 0.830 116 E CB -0.190 29.565 29.700 0.092 0.000 0.751 116 E HN 0.510 nan 8.360 nan 0.000 0.491 117 I N -0.069 120.529 120.570 0.046 0.000 2.333 117 I HA -0.164 4.005 4.170 -0.001 0.000 0.246 117 I C 2.010 178.157 176.117 0.050 0.000 1.106 117 I CA 0.723 62.051 61.300 0.048 0.000 1.411 117 I CB -0.211 37.816 38.000 0.045 0.000 1.082 117 I HN 0.075 nan 8.210 nan 0.000 0.420 118 V N -1.490 118.459 119.914 0.060 0.000 2.809 118 V HA -0.190 3.929 4.120 -0.001 0.000 0.256 118 V C 1.976 178.073 176.094 0.005 0.000 1.080 118 V CA 1.833 64.184 62.300 0.084 0.000 1.102 118 V CB -0.864 31.046 31.823 0.144 0.000 0.705 118 V HN 0.328 nan 8.190 nan 0.000 0.475 119 D N 1.342 121.747 120.400 0.007 0.000 2.097 119 D HA -0.248 4.391 4.640 -0.001 0.000 0.195 119 D C 2.138 178.440 176.300 0.004 0.000 0.989 119 D CA 1.707 55.712 54.000 0.008 0.000 0.827 119 D CB -0.338 40.502 40.800 0.066 0.000 0.966 119 D HN 0.430 nan 8.370 nan 0.000 0.456 120 N N 0.489 119.202 118.700 0.022 0.000 2.069 120 N HA -0.237 4.503 4.740 -0.001 0.000 0.191 120 N C 1.747 177.247 175.510 -0.018 0.000 1.031 120 N CA 1.337 54.397 53.050 0.017 0.000 0.852 120 N CB -0.205 38.300 38.487 0.030 0.000 1.018 120 N HN 0.412 nan 8.380 nan 0.000 0.423 121 E N -0.344 119.853 120.200 -0.006 0.000 2.110 121 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 121 E C 2.125 178.679 176.600 -0.077 0.000 0.988 121 E CA 0.616 57.031 56.400 0.024 0.000 0.804 121 E CB 0.036 29.817 29.700 0.135 0.000 0.745 121 E HN 0.310 nan 8.360 nan 0.000 0.458 122 M N 0.298 119.693 119.600 -0.341 0.000 2.086 122 M HA -0.156 4.324 4.480 -0.001 0.000 0.261 122 M C 2.562 178.689 176.300 -0.288 0.000 1.067 122 M CA 1.252 56.180 55.300 -0.621 0.000 1.116 122 M CB -0.636 31.595 32.600 -0.615 0.000 1.348 122 M HN 0.122 nan 8.290 nan 0.000 0.407 123 S N -0.004 115.521 115.700 -0.292 0.000 2.359 123 S HA -0.202 4.267 4.470 -0.001 0.000 0.224 123 S C 1.877 176.235 174.600 -0.404 0.000 1.035 123 S CA 1.845 59.677 58.200 -0.614 0.000 1.018 123 S CB -0.111 62.958 63.200 -0.219 0.000 0.876 123 S HN 0.322 nan 8.310 nan 0.000 0.448 124 K N 0.423 120.724 120.400 -0.165 0.000 2.097 124 K HA -0.007 4.313 4.320 -0.001 0.000 0.205 124 K C 1.726 178.294 176.600 -0.054 0.000 1.050 124 K CA 1.432 57.667 56.287 -0.087 0.000 0.938 124 K CB -0.716 31.768 32.500 -0.027 0.000 0.718 124 K HN 0.492 nan 8.250 nan 0.000 0.442 125 F N 0.340 120.211 119.950 -0.132 0.000 2.134 125 F HA -0.076 4.451 4.527 -0.001 0.000 0.299 125 F C 1.777 177.510 175.800 -0.111 0.000 1.097 125 F CA 1.521 59.485 58.000 -0.060 0.000 1.264 125 F CB -0.486 38.555 39.000 0.069 0.000 1.001 125 F HN 0.053 nan 8.300 nan 0.000 0.479 126 A N 0.160 122.886 122.820 -0.157 0.000 1.898 126 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 126 A C 2.310 179.812 177.584 -0.137 0.000 1.181 126 A CA 1.624 53.556 52.037 -0.175 0.000 0.620 126 A CB -1.047 17.887 19.000 -0.110 0.000 0.819 126 A HN 0.581 nan 8.150 nan 0.000 0.442 127 E N 0.055 120.183 120.200 -0.119 0.000 2.051 127 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 127 E C 1.899 178.498 176.600 -0.001 0.000 0.991 127 E CA 1.223 57.644 56.400 0.034 0.000 0.799 127 E CB -0.232 29.470 29.700 0.003 0.000 0.748 127 E HN 0.608 nan 8.360 nan 0.000 0.449 128 L N 0.607 121.743 121.223 -0.144 0.000 2.265 128 L HA -0.147 4.192 4.340 -0.001 0.000 0.215 128 L C 2.416 179.126 176.870 -0.267 0.000 1.117 128 L CA 0.907 55.647 54.840 -0.167 0.000 0.782 128 L CB -0.155 41.798 42.059 -0.176 0.000 0.914 128 L HN 0.152 nan 8.230 nan 0.000 0.441 129 E N -0.200 119.707 120.200 -0.489 0.000 2.158 129 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 129 E C 1.543 177.761 176.600 -0.637 0.000 0.982 129 E CA 1.199 57.165 56.400 -0.724 0.000 0.823 129 E CB 0.109 29.110 29.700 -1.165 0.000 0.766 129 E HN 0.455 nan 8.360 nan 0.000 0.468 130 F N -1.971 117.951 119.950 -0.046 0.000 2.706 130 F HA 0.194 4.721 4.527 -0.001 0.000 0.308 130 F C 2.000 177.841 175.800 0.067 0.000 1.095 130 F CA -0.221 57.788 58.000 0.014 0.000 1.244 130 F CB 0.307 39.333 39.000 0.044 0.000 1.063 130 F HN 0.119 nan 8.300 nan 0.000 0.582 131 H N 1.254 120.404 119.070 0.133 0.000 2.428 131 H HA -0.046 4.510 4.556 -0.001 0.000 0.296 131 H C 0.627 176.013 175.328 0.097 0.000 1.062 131 H CA 1.125 57.236 56.048 0.105 0.000 1.350 131 H CB 0.241 30.030 29.762 0.045 0.000 1.403 131 H HN 0.327 nan 8.280 nan 0.000 0.533 132 Q N 0.976 120.876 119.800 0.167 0.000 2.844 132 Q HA 0.049 4.389 4.340 -0.001 0.000 0.235 132 Q C -0.491 175.575 176.000 0.111 0.000 1.336 132 Q CA -0.088 55.777 55.803 0.104 0.000 1.026 132 Q CB -0.329 28.428 28.738 0.033 0.000 1.513 132 Q HN 0.188 nan 8.270 nan 0.000 0.577 133 H N 4.420 123.524 119.070 0.056 0.000 2.982 133 H HA 0.143 4.698 4.556 -0.001 0.000 0.261 133 H C -0.553 174.801 175.328 0.045 0.000 1.603 133 H CA -0.303 55.783 56.048 0.063 0.000 1.398 133 H CB -0.001 29.789 29.762 0.046 0.000 1.693 133 H HN 0.501 nan 8.280 nan 0.000 0.535 134 L N 2.509 123.730 121.223 -0.003 0.000 2.606 134 L HA 0.216 4.555 4.340 -0.001 0.000 0.148 134 L C 2.235 179.079 176.870 -0.043 0.000 1.534 134 L CA 0.773 55.628 54.840 0.024 0.000 2.847 134 L CB -0.780 41.272 42.059 -0.011 0.000 2.929 134 L HN 0.523 nan 8.230 nan 0.000 0.814 135 G N -1.238 107.532 108.800 -0.050 0.000 3.709 135 G HA2 0.352 4.311 3.960 -0.001 0.000 0.272 135 G HA3 0.352 4.311 3.960 -0.001 0.000 0.272 135 G C 1.063 175.889 174.900 -0.122 0.000 1.259 135 G CA -0.141 44.930 45.100 -0.048 0.000 1.512 135 G HN 0.228 nan 8.290 nan 0.000 0.625 136 V N 0.607 120.337 119.914 -0.307 0.000 2.277 136 V HA -0.298 3.821 4.120 -0.001 0.000 0.255 136 V C 1.595 177.675 176.094 -0.023 0.000 1.059 136 V CA 2.449 64.625 62.300 -0.208 0.000 1.096 136 V CB -0.972 30.635 31.823 -0.361 0.000 0.741 136 V HN 1.253 nan 8.190 nan 0.000 0.476 137 S N -0.712 114.985 115.700 -0.005 0.000 2.862 137 S HA -0.132 4.337 4.470 -0.001 0.000 0.843 137 S C -0.587 174.094 174.600 0.135 0.000 0.808 137 S CA 0.306 58.539 58.200 0.056 0.000 1.515 137 S CB -0.835 62.393 63.200 0.047 0.000 1.082 137 S HN 0.931 nan 8.310 nan 0.000 0.447 138 D N 2.419 122.874 120.400 0.091 0.000 2.411 138 D HA 0.807 5.446 4.640 -0.001 0.000 0.251 138 D C 0.740 177.122 176.300 0.136 0.000 1.201 138 D CA 0.543 54.597 54.000 0.089 0.000 0.996 138 D CB 1.074 41.861 40.800 -0.022 0.000 1.101 138 D HN 1.271 nan 8.370 nan 0.000 0.504 139 C N -0.848 118.548 119.300 0.160 0.000 3.314 139 C HA 0.760 5.220 4.460 -0.001 0.000 0.344 139 C C -0.179 174.905 174.990 0.158 0.000 1.461 139 C CA -0.619 58.489 59.018 0.150 0.000 1.249 139 C CB 0.408 28.247 27.740 0.164 0.000 1.632 139 C HN 0.662 nan 8.230 nan 0.000 0.452 140 S N 0.100 115.884 115.700 0.141 0.000 2.603 140 S HA 0.365 4.835 4.470 -0.001 0.000 0.268 140 S C 0.538 175.283 174.600 0.241 0.000 1.317 140 S CA -0.003 58.294 58.200 0.163 0.000 1.012 140 S CB 0.260 63.532 63.200 0.120 0.000 0.926 140 S HN 1.215 nan 8.310 nan 0.000 0.539 141 F N 1.976 121.990 119.950 0.106 0.000 2.065 141 F HA -0.151 4.376 4.527 -0.001 0.000 0.298 141 F C 1.935 177.805 175.800 0.116 0.000 1.112 141 F CA 1.862 59.950 58.000 0.147 0.000 1.212 141 F CB -0.348 38.744 39.000 0.153 0.000 0.975 141 F HN 0.767 nan 8.300 nan 0.000 0.476 142 F N 1.755 121.554 119.950 -0.252 0.000 2.063 142 F HA -0.369 4.158 4.527 -0.001 0.000 0.298 142 F C 2.433 177.917 175.800 -0.526 0.000 1.105 142 F CA 2.448 59.899 58.000 -0.914 0.000 1.215 142 F CB -1.102 37.083 39.000 -1.357 0.000 0.972 142 F HN 0.083 nan 8.300 nan 0.000 0.483 143 Q N 0.215 119.764 119.800 -0.419 0.000 2.181 143 Q HA -0.181 4.159 4.340 -0.001 0.000 0.205 143 Q C 2.031 177.895 176.000 -0.227 0.000 0.980 143 Q CA 1.803 57.392 55.803 -0.357 0.000 0.862 143 Q CB -0.590 28.134 28.738 -0.022 0.000 0.905 143 Q HN 0.608 nan 8.270 nan 0.000 0.429 144 L N -1.135 120.051 121.223 -0.062 0.000 2.072 144 L HA -0.088 4.251 4.340 -0.001 0.000 0.205 144 L C 1.877 178.776 176.870 0.049 0.000 1.079 144 L CA 1.280 56.201 54.840 0.135 0.000 0.752 144 L CB -0.393 41.888 42.059 0.371 0.000 0.906 144 L HN 0.091 nan 8.230 nan 0.000 0.436 145 V N -0.634 119.172 119.914 -0.181 0.000 2.427 145 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 145 V C 2.575 178.568 176.094 -0.170 0.000 1.051 145 V CA 1.578 63.774 62.300 -0.174 0.000 1.048 145 V CB -0.736 30.937 31.823 -0.250 0.000 0.666 145 V HN 0.386 nan 8.190 nan 0.000 0.456 146 M N 0.141 119.511 119.600 -0.383 0.000 2.117 146 M HA -0.160 4.319 4.480 -0.001 0.000 0.262 146 M C 2.166 178.353 176.300 -0.188 0.000 1.065 146 M CA 1.692 56.797 55.300 -0.325 0.000 1.114 146 M CB -1.245 31.032 32.600 -0.539 0.000 1.361 146 M HN 0.358 nan 8.290 nan 0.000 0.408 147 K N -0.639 119.681 120.400 -0.133 0.000 2.097 147 K HA -0.217 4.102 4.320 -0.001 0.000 0.206 147 K C 2.169 178.654 176.600 -0.192 0.000 1.049 147 K CA 1.242 57.497 56.287 -0.054 0.000 0.933 147 K CB -0.280 32.293 32.500 0.121 0.000 0.717 147 K HN 0.243 nan 8.250 nan 0.000 0.442 148 Y N 1.596 121.588 120.300 -0.514 0.000 2.114 148 Y HA -0.214 4.336 4.550 -0.001 0.000 0.284 148 Y C 1.697 177.318 175.900 -0.465 0.000 1.143 148 Y CA 1.694 59.221 58.100 -0.954 0.000 1.135 148 Y CB -0.374 37.568 38.460 -0.864 0.000 0.980 148 Y HN -0.019 nan 8.280 nan 0.000 0.499 149 L N -0.278 120.768 121.223 -0.295 0.000 2.043 149 L HA -0.297 4.042 4.340 -0.001 0.000 0.212 149 L C 2.549 179.228 176.870 -0.318 0.000 1.075 149 L CA 1.558 56.226 54.840 -0.286 0.000 0.752 149 L CB -0.907 41.115 42.059 -0.062 0.000 0.891 149 L HN 0.342 nan 8.230 nan 0.000 0.432 150 L N -0.566 120.504 121.223 -0.255 0.000 1.955 150 L HA -0.285 4.055 4.340 -0.001 0.000 0.213 150 L C 2.754 179.491 176.870 -0.222 0.000 1.072 150 L CA 1.746 56.461 54.840 -0.208 0.000 0.755 150 L CB -0.668 41.302 42.059 -0.147 0.000 0.888 150 L HN 0.367 nan 8.230 nan 0.000 0.432 151 Q N -0.129 119.533 119.800 -0.230 0.000 2.226 151 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 151 Q C 1.432 177.321 176.000 -0.186 0.000 0.975 151 Q CA 1.153 56.858 55.803 -0.164 0.000 0.866 151 Q CB 0.290 28.979 28.738 -0.081 0.000 0.915 151 Q HN 0.335 nan 8.270 nan 0.000 0.440 152 R N -0.061 120.223 120.500 -0.360 0.000 2.543 152 R HA 0.101 4.440 4.340 -0.001 0.000 0.323 152 R C 1.605 177.723 176.300 -0.304 0.000 1.002 152 R CA 0.110 56.056 56.100 -0.257 0.000 1.106 152 R CB 0.067 30.050 30.300 -0.529 0.000 1.280 152 R HN 0.358 nan 8.270 nan 0.000 0.549 153 R N 1.067 121.363 120.500 -0.340 0.000 2.139 153 R HA -0.201 4.138 4.340 -0.001 0.000 0.243 153 R C 1.529 177.601 176.300 -0.380 0.000 1.145 153 R CA 1.707 57.624 56.100 -0.305 0.000 0.976 153 R CB -0.373 29.770 30.300 -0.261 0.000 0.866 153 R HN 0.229 nan 8.270 nan 0.000 0.449 154 Q N 0.264 119.680 119.800 -0.641 0.000 2.500 154 Q HA -0.065 4.275 4.340 -0.001 0.000 0.213 154 Q C 0.083 175.538 176.000 -0.909 0.000 0.974 154 Q CA 0.888 56.182 55.803 -0.848 0.000 0.918 154 Q CB 0.109 28.166 28.738 -1.134 0.000 0.980 154 Q HN 0.574 nan 8.270 nan 0.000 0.505 155 F N 0.227 120.118 119.950 -0.098 0.000 2.764 155 F HA 0.371 4.898 4.527 -0.001 0.000 0.310 155 F C -0.581 175.183 175.800 -0.060 0.000 1.124 155 F CA -0.578 57.379 58.000 -0.071 0.000 1.252 155 F CB 0.739 39.698 39.000 -0.069 0.000 1.010 155 F HN -0.134 nan 8.300 nan 0.000 0.518 156 L N 0.494 121.715 121.223 -0.004 0.000 2.401 156 L HA 0.526 4.865 4.340 -0.001 0.000 0.266 156 L C 0.394 177.258 176.870 -0.010 0.000 0.991 156 L CA -1.003 53.844 54.840 0.011 0.000 0.818 156 L CB 2.291 44.340 42.059 -0.016 0.000 1.321 156 L HN 0.088 nan 8.230 nan 0.000 0.413 157 T N -2.517 112.050 114.554 0.022 0.000 2.754 157 T HA 0.158 4.508 4.350 -0.001 0.000 0.286 157 T C 0.877 175.586 174.700 0.015 0.000 0.997 157 T CA -0.542 61.567 62.100 0.016 0.000 0.982 157 T CB 0.769 69.658 68.868 0.036 0.000 1.027 157 T HN 0.503 nan 8.240 nan 0.000 0.529 158 N N 0.693 119.400 118.700 0.011 0.000 2.188 158 N HA -0.068 4.672 4.740 -0.001 0.000 0.184 158 N C 1.383 176.921 175.510 0.047 0.000 1.018 158 N CA 0.951 54.006 53.050 0.007 0.000 0.858 158 N CB -0.505 37.978 38.487 -0.007 0.000 0.989 158 N HN 0.612 nan 8.380 nan 0.000 0.426 159 D N 0.976 121.431 120.400 0.093 0.000 2.178 159 D HA -0.086 4.554 4.640 -0.001 0.000 0.202 159 D C 1.849 178.291 176.300 0.236 0.000 0.974 159 D CA 0.750 54.867 54.000 0.196 0.000 0.841 159 D CB -0.020 40.916 40.800 0.226 0.000 0.953 159 D HN 0.415 nan 8.370 nan 0.000 0.478 160 Q N -0.022 119.870 119.800 0.152 0.000 2.083 160 Q HA 0.004 4.343 4.340 -0.001 0.000 0.198 160 Q C 2.396 178.482 176.000 0.143 0.000 0.969 160 Q CA 0.590 56.482 55.803 0.149 0.000 0.838 160 Q CB 0.125 28.930 28.738 0.111 0.000 0.900 160 Q HN 0.317 nan 8.270 nan 0.000 0.436 161 I N 0.507 121.142 120.570 0.108 0.000 2.454 161 I HA -0.261 3.909 4.170 -0.001 0.000 0.254 161 I C 2.593 178.843 176.117 0.221 0.000 1.156 161 I CA 0.919 62.299 61.300 0.133 0.000 1.433 161 I CB -0.177 37.847 38.000 0.040 0.000 1.082 161 I HN 0.175 nan 8.210 nan 0.000 0.432 162 R N 0.299 120.860 120.500 0.101 0.000 2.057 162 R HA -0.121 4.219 4.340 -0.001 0.000 0.224 162 R C 2.199 178.361 176.300 -0.230 0.000 1.136 162 R CA 1.417 57.488 56.100 -0.048 0.000 0.968 162 R CB -0.172 29.939 30.300 -0.314 0.000 0.863 162 R HN 0.238 nan 8.270 nan 0.000 0.433 163 Y N 0.229 120.562 120.300 0.056 0.000 2.397 163 Y HA -0.071 4.478 4.550 -0.001 0.000 0.292 163 Y C 2.002 177.891 175.900 -0.018 0.000 1.115 163 Y CA 0.182 58.287 58.100 0.007 0.000 1.208 163 Y CB -0.136 38.327 38.460 0.005 0.000 1.046 163 Y HN 0.093 nan 8.280 nan 0.000 0.552 164 L N 2.532 123.841 121.223 0.144 0.000 1.978 164 L HA -0.158 4.181 4.340 -0.001 0.000 0.218 164 L C -0.626 176.257 176.870 0.022 0.000 1.075 164 L CA 2.135 57.021 54.840 0.077 0.000 0.767 164 L CB -1.848 40.282 42.059 0.117 0.000 0.890 164 L HN 0.003 nan 8.230 nan 0.000 0.434 165 P HA -0.204 nan 4.420 nan 0.000 0.218 165 P C 1.062 178.256 177.300 -0.178 0.000 1.146 165 P CA 1.505 64.612 63.100 0.012 0.000 0.813 165 P CB -0.107 31.639 31.700 0.077 0.000 0.778 166 Q N -0.632 119.072 119.800 -0.160 0.000 2.204 166 Q HA 0.050 4.390 4.340 -0.001 0.000 0.198 166 Q C 2.421 178.345 176.000 -0.126 0.000 0.946 166 Q CA 0.499 56.175 55.803 -0.212 0.000 0.859 166 Q CB -1.031 27.657 28.738 -0.084 0.000 0.946 166 Q HN 0.311 nan 8.270 nan 0.000 0.474 167 L N 1.147 122.329 121.223 -0.067 0.000 2.056 167 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 167 L C 2.477 179.340 176.870 -0.012 0.000 1.078 167 L CA 1.799 56.583 54.840 -0.092 0.000 0.749 167 L CB -0.340 41.561 42.059 -0.264 0.000 0.901 167 L HN 0.367 nan 8.230 nan 0.000 0.433 168 C N -0.858 118.386 119.300 -0.093 0.000 2.466 168 C HA 0.035 4.494 4.460 -0.001 0.000 0.283 168 C C 2.357 177.107 174.990 -0.400 0.000 1.472 168 C CA -0.138 58.750 59.018 -0.217 0.000 1.765 168 C CB -1.751 25.961 27.740 -0.046 0.000 1.724 168 C HN 0.473 nan 8.230 nan 0.000 0.560 169 R N 0.070 120.396 120.500 -0.291 0.000 2.313 169 R HA 0.039 4.378 4.340 -0.001 0.000 0.199 169 R C 1.620 177.745 176.300 -0.291 0.000 0.958 169 R CA 0.810 56.737 56.100 -0.289 0.000 1.047 169 R CB -0.370 29.631 30.300 -0.500 0.000 0.955 169 R HN 0.932 nan 8.270 nan 0.000 0.481 170 Y N -1.421 118.736 120.300 -0.237 0.000 2.333 170 Y HA -0.084 4.466 4.550 -0.001 0.000 0.290 170 Y C 1.596 177.054 175.900 -0.736 0.000 1.144 170 Y CA 0.507 58.389 58.100 -0.365 0.000 1.228 170 Y CB -0.653 37.576 38.460 -0.386 0.000 0.985 170 Y HN -0.059 nan 8.280 nan 0.000 0.542 171 L N 0.803 121.301 121.223 -1.208 0.000 2.261 171 L HA -0.191 4.148 4.340 -0.001 0.000 0.216 171 L C 2.259 178.937 176.870 -0.320 0.000 1.114 171 L CA 1.541 55.730 54.840 -1.084 0.000 0.777 171 L CB -0.587 40.800 42.059 -1.119 0.000 0.910 171 L HN 0.405 nan 8.230 nan 0.000 0.440 172 E N 0.098 120.199 120.200 -0.164 0.000 2.118 172 E HA -0.199 4.151 4.350 -0.001 0.000 0.195 172 E C 1.595 178.312 176.600 0.195 0.000 0.992 172 E CA 0.821 57.264 56.400 0.071 0.000 0.804 172 E CB -0.051 29.687 29.700 0.063 0.000 0.741 172 E HN 0.357 nan 8.360 nan 0.000 0.458 173 L N -0.468 120.872 121.223 0.195 0.000 2.675 173 L HA -0.005 4.334 4.340 -0.001 0.000 0.239 173 L C 1.339 178.636 176.870 0.711 0.000 1.151 173 L CA 0.928 56.012 54.840 0.406 0.000 0.905 173 L CB -1.354 40.954 42.059 0.416 0.000 1.057 173 L HN 0.321 nan 8.230 nan 0.000 0.435 174 W N -1.200 120.130 121.300 0.051 0.000 2.699 174 W HA 0.042 4.701 4.660 -0.001 0.000 0.265 174 W C 2.230 178.710 176.519 -0.065 0.000 1.210 174 W CA -0.105 57.212 57.345 -0.047 0.000 1.414 174 W CB 0.315 29.685 29.460 -0.150 0.000 1.043 174 W HN 0.296 nan 8.180 nan 0.000 0.599 175 H N -1.049 118.252 119.070 0.386 0.000 2.604 175 H HA 0.172 4.728 4.556 -0.001 0.000 0.273 175 H C 1.900 177.318 175.328 0.149 0.000 0.971 175 H CA 1.077 57.298 56.048 0.289 0.000 1.249 175 H CB 0.714 30.571 29.762 0.158 0.000 1.449 175 H HN 0.202 nan 8.280 nan 0.000 0.512 176 G N 1.201 110.154 108.800 0.256 0.000 2.132 176 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.234 176 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.234 176 G C -0.114 174.860 174.900 0.123 0.000 0.989 176 G CA 0.124 45.286 45.100 0.103 0.000 0.676 176 G HN 0.223 nan 8.290 nan 0.000 0.522 177 L N 0.588 121.920 121.223 0.181 0.000 2.408 177 L HA 0.435 4.774 4.340 -0.001 0.000 0.268 177 L C 0.073 177.041 176.870 0.163 0.000 0.986 177 L CA -1.141 53.795 54.840 0.161 0.000 0.820 177 L CB 1.872 44.038 42.059 0.179 0.000 1.303 177 L HN 0.250 nan 8.230 nan 0.000 0.411 178 D N 2.599 123.091 120.400 0.154 0.000 2.488 178 D HA -0.106 4.534 4.640 -0.001 0.000 0.238 178 D C 0.855 177.363 176.300 0.348 0.000 1.138 178 D CA -0.178 53.951 54.000 0.216 0.000 0.873 178 D CB 1.050 41.957 40.800 0.179 0.000 1.183 178 D HN 0.600 nan 8.370 nan 0.000 0.458 179 W N 5.442 126.816 121.300 0.124 0.000 2.359 179 W HA -0.141 4.519 4.660 -0.001 0.000 0.275 179 W C 0.979 177.602 176.519 0.174 0.000 1.217 179 W CA 0.341 57.823 57.345 0.227 0.000 1.196 179 W CB -0.884 28.751 29.460 0.292 0.000 1.129 179 W HN 0.354 nan 8.180 nan 0.000 0.566 180 K N 0.702 121.203 120.400 0.169 0.000 2.296 180 K HA 0.091 4.410 4.320 -0.001 0.000 0.200 180 K C 1.856 178.427 176.600 -0.048 0.000 1.048 180 K CA 0.732 56.957 56.287 -0.103 0.000 0.966 180 K CB -0.183 32.175 32.500 -0.237 0.000 0.754 180 K HN 0.349 nan 8.250 nan 0.000 0.466 181 L N 0.726 121.939 121.223 -0.016 0.000 2.640 181 L HA 0.158 4.498 4.340 -0.001 0.000 0.230 181 L C 0.267 177.104 176.870 -0.055 0.000 1.123 181 L CA -0.340 54.404 54.840 -0.160 0.000 0.900 181 L CB 0.222 42.128 42.059 -0.256 0.000 1.146 181 L HN 0.002 nan 8.230 nan 0.000 0.484 182 L N -0.082 121.190 121.223 0.082 0.000 2.307 182 L HA 0.306 4.646 4.340 -0.001 0.000 0.282 182 L C 0.541 177.468 176.870 0.095 0.000 1.051 182 L CA 0.001 54.895 54.840 0.091 0.000 0.804 182 L CB 1.659 43.740 42.059 0.036 0.000 1.197 182 L HN -0.143 nan 8.230 nan 0.000 0.431 183 S N 3.820 119.560 115.700 0.066 0.000 2.498 183 S HA 0.319 4.789 4.470 -0.001 0.000 0.281 183 S C 1.357 175.959 174.600 0.003 0.000 1.265 183 S CA 0.063 58.289 58.200 0.045 0.000 1.071 183 S CB 0.582 63.797 63.200 0.025 0.000 0.894 183 S HN 0.932 nan 8.310 nan 0.000 0.491 184 A N 5.703 128.575 122.820 0.086 0.000 1.902 184 A HA -0.067 4.253 4.320 -0.001 0.000 0.217 184 A C 2.087 179.663 177.584 -0.014 0.000 1.181 184 A CA 1.664 53.820 52.037 0.199 0.000 0.623 184 A CB -0.645 18.601 19.000 0.410 0.000 0.818 184 A HN 0.915 nan 8.150 nan 0.000 0.443 185 K N -0.941 119.235 120.400 -0.372 0.000 2.218 185 K HA -0.226 4.094 4.320 -0.001 0.000 0.205 185 K C 1.098 177.547 176.600 -0.252 0.000 1.046 185 K CA 1.745 57.603 56.287 -0.715 0.000 0.933 185 K CB -0.071 32.047 32.500 -0.637 0.000 0.728 185 K HN 0.428 nan 8.250 nan 0.000 0.454 186 D N -1.234 119.095 120.400 -0.119 0.000 2.407 186 D HA 0.033 4.673 4.640 -0.001 0.000 0.208 186 D C 1.078 177.408 176.300 0.050 0.000 1.083 186 D CA 0.346 54.336 54.000 -0.017 0.000 0.844 186 D CB 0.372 41.156 40.800 -0.026 0.000 0.967 186 D HN 0.035 nan 8.370 nan 0.000 0.506 187 T N -0.307 114.197 114.554 -0.084 0.000 2.555 187 T HA -0.185 4.165 4.350 -0.001 0.000 0.264 187 T C 0.244 174.923 174.700 -0.034 0.000 1.083 187 T CA 1.227 63.164 62.100 -0.271 0.000 1.179 187 T CB -0.420 68.059 68.868 -0.649 0.000 0.863 187 T HN 0.140 nan 8.240 nan 0.000 0.412 188 Y N 2.687 123.009 120.300 0.037 0.000 2.585 188 Y HA 0.395 4.945 4.550 -0.001 0.000 0.354 188 Y C -0.087 175.865 175.900 0.087 0.000 1.024 188 Y CA -1.731 56.372 58.100 0.005 0.000 1.321 188 Y CB -0.727 37.740 38.460 0.012 0.000 1.151 188 Y HN 0.189 nan 8.280 nan 0.000 0.525 189 F N -0.515 119.491 119.950 0.095 0.000 2.483 189 F HA 0.861 5.388 4.527 -0.001 0.000 0.329 189 F C 0.521 176.334 175.800 0.022 0.000 1.064 189 F CA -2.392 55.629 58.000 0.036 0.000 0.986 189 F CB 0.881 39.849 39.000 -0.053 0.000 1.218 189 F HN 0.405 nan 8.300 nan 0.000 0.484 190 G N 0.268 109.150 108.800 0.137 0.000 2.391 190 G HA2 0.178 4.137 3.960 -0.001 0.000 0.305 190 G HA3 0.178 4.137 3.960 -0.001 0.000 0.305 190 G C -1.113 173.876 174.900 0.148 0.000 1.072 190 G CA -0.459 44.684 45.100 0.072 0.000 1.016 190 G HN 0.898 nan 8.290 nan 0.000 0.418 191 H N 2.330 121.390 119.070 -0.015 0.000 3.160 191 H HA 0.050 4.606 4.556 -0.001 0.000 0.257 191 H C 0.501 175.853 175.328 0.039 0.000 1.140 191 H CA -0.137 55.931 56.048 0.032 0.000 1.492 191 H CB 0.674 30.384 29.762 -0.087 0.000 1.529 191 H HN 0.474 nan 8.280 nan 0.000 0.490 192 Q N 3.812 123.732 119.800 0.200 0.000 2.613 192 Q HA 0.177 4.516 4.340 -0.001 0.000 0.228 192 Q C 0.531 176.553 176.000 0.037 0.000 1.318 192 Q CA 0.056 55.921 55.803 0.104 0.000 0.907 192 Q CB 0.463 29.261 28.738 0.099 0.000 1.593 192 Q HN 0.945 nan 8.270 nan 0.000 0.559 193 G N 1.309 110.124 108.800 0.025 0.000 2.603 193 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.686 193 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.686 193 G C -0.758 174.118 174.900 -0.041 0.000 1.286 193 G CA -1.138 43.956 45.100 -0.010 0.000 0.871 193 G HN 0.531 nan 8.290 nan 0.000 0.568 194 R N -0.079 120.414 120.500 -0.012 0.000 2.738 194 R HA 0.405 4.744 4.340 -0.001 0.000 0.275 194 R C 0.195 176.414 176.300 -0.135 0.000 1.121 194 R CA -0.002 56.100 56.100 0.003 0.000 1.207 194 R CB 0.138 30.550 30.300 0.187 0.000 1.141 194 R HN 0.620 nan 8.270 nan 0.000 0.571 195 N N -0.854 117.753 118.700 -0.154 0.000 2.417 195 N HA 0.440 5.179 4.740 -0.001 0.000 0.300 195 N C -1.468 173.830 175.510 -0.352 0.000 1.102 195 N CA -0.546 52.345 53.050 -0.265 0.000 0.886 195 N CB 2.122 40.455 38.487 -0.257 0.000 1.203 195 N HN 0.587 nan 8.380 nan 0.000 0.496 196 A N 1.177 123.709 122.820 -0.481 0.000 2.291 196 A HA 0.405 4.724 4.320 -0.001 0.000 0.311 196 A C -1.132 176.500 177.584 0.080 0.000 1.224 196 A CA -0.616 51.088 52.037 -0.554 0.000 0.821 196 A CB -0.259 18.073 19.000 -1.114 0.000 1.172 196 A HN 0.695 nan 8.150 nan 0.000 0.494 197 F N 3.999 124.019 119.950 0.116 0.000 2.490 197 F HA 0.425 4.951 4.527 -0.001 0.000 0.357 197 F C 0.919 176.680 175.800 -0.066 0.000 1.166 197 F CA -0.294 57.694 58.000 -0.020 0.000 1.116 197 F CB 0.137 39.144 39.000 0.010 0.000 1.171 197 F HN 0.740 nan 8.300 nan 0.000 0.576 198 A N 7.317 129.782 122.820 -0.591 0.000 2.548 198 A HA 0.179 4.499 4.320 -0.001 0.000 0.247 198 A C -0.050 177.213 177.584 -0.535 0.000 1.067 198 A CA -0.213 51.499 52.037 -0.540 0.000 0.757 198 A CB -0.203 18.068 19.000 -1.216 0.000 0.996 198 A HN 0.870 nan 8.150 nan 0.000 0.504 199 L N 2.707 123.812 121.223 -0.197 0.000 2.449 199 L HA 0.413 4.752 4.340 -0.001 0.000 0.255 199 L C 0.952 177.745 176.870 -0.129 0.000 1.167 199 L CA 0.780 55.552 54.840 -0.114 0.000 1.090 199 L CB -0.926 41.131 42.059 -0.004 0.000 1.385 199 L HN 1.098 nan 8.230 nan 0.000 0.411 200 N N 0.310 118.903 118.700 -0.178 0.000 3.583 200 N HA -0.203 4.536 4.740 -0.001 0.000 0.270 200 N C 0.005 175.462 175.510 -0.087 0.000 1.016 200 N CA 0.248 53.239 53.050 -0.098 0.000 0.705 200 N CB -2.134 nan 38.487 nan 0.000 1.267 200 N HN 0.456 nan 8.380 nan 0.000 0.572 201 Y N 0.113 120.333 120.300 -0.135 0.000 2.421 201 Y HA -0.131 4.418 4.550 -0.001 0.000 0.292 201 Y C 2.328 178.205 175.900 -0.038 0.000 1.136 201 Y CA 2.044 60.077 58.100 -0.111 0.000 1.255 201 Y CB 0.393 38.758 38.460 -0.160 0.000 0.991 201 Y HN 0.925 nan 8.280 nan 0.000 0.552 202 D N -1.306 119.174 120.400 0.132 0.000 2.123 202 D HA -0.208 4.432 4.640 -0.001 0.000 0.196 202 D C 1.911 178.254 176.300 0.071 0.000 0.992 202 D CA 1.724 55.780 54.000 0.092 0.000 0.833 202 D CB -0.888 39.944 40.800 0.054 0.000 0.954 202 D HN 0.107 nan 8.370 nan 0.000 0.455 203 S N -0.295 115.429 115.700 0.041 0.000 2.419 203 S HA -0.093 4.376 4.470 -0.001 0.000 0.233 203 S C 2.125 176.754 174.600 0.048 0.000 1.016 203 S CA 0.868 59.081 58.200 0.021 0.000 0.974 203 S CB -0.288 62.906 63.200 -0.010 0.000 0.786 203 S HN 0.239 nan 8.310 nan 0.000 0.492 204 V N 0.956 120.925 119.914 0.092 0.000 2.488 204 V HA -0.053 4.066 4.120 -0.001 0.000 0.246 204 V C 2.278 178.468 176.094 0.160 0.000 1.046 204 V CA 0.995 63.379 62.300 0.140 0.000 1.053 204 V CB -0.643 31.320 31.823 0.233 0.000 0.679 204 V HN 0.338 nan 8.190 nan 0.000 0.458 205 V N -0.363 119.646 119.914 0.158 0.000 2.270 205 V HA -0.223 3.897 4.120 -0.001 0.000 0.245 205 V C 2.643 178.790 176.094 0.089 0.000 1.043 205 V CA 1.720 64.103 62.300 0.138 0.000 1.014 205 V CB -0.627 31.267 31.823 0.119 0.000 0.645 205 V HN 0.479 nan 8.190 nan 0.000 0.447 206 Q N -0.112 119.719 119.800 0.053 0.000 2.084 206 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 206 Q C 2.347 178.339 176.000 -0.014 0.000 0.978 206 Q CA 1.800 57.605 55.803 0.004 0.000 0.844 206 Q CB -0.541 28.193 28.738 -0.006 0.000 0.898 206 Q HN 0.624 nan 8.270 nan 0.000 0.426 207 R N 0.458 120.969 120.500 0.017 0.000 2.091 207 R HA -0.126 4.214 4.340 -0.001 0.000 0.238 207 R C 2.227 178.544 176.300 0.028 0.000 1.136 207 R CA 1.360 57.470 56.100 0.016 0.000 0.959 207 R CB -0.230 30.094 30.300 0.039 0.000 0.856 207 R HN 0.225 nan 8.270 nan 0.000 0.437 208 I N 0.490 121.111 120.570 0.086 0.000 2.286 208 I HA -0.154 4.016 4.170 -0.001 0.000 0.245 208 I C 2.623 178.782 176.117 0.071 0.000 1.104 208 I CA 0.972 62.359 61.300 0.144 0.000 1.397 208 I CB -0.437 37.710 38.000 0.245 0.000 1.072 208 I HN 0.314 nan 8.210 nan 0.000 0.417 209 A N 0.367 123.176 122.820 -0.018 0.000 1.865 209 A HA -0.297 4.023 4.320 -0.001 0.000 0.217 209 A C 2.205 179.348 177.584 -0.735 0.000 1.191 209 A CA 1.792 53.652 52.037 -0.294 0.000 0.623 209 A CB -0.756 18.158 19.000 -0.144 0.000 0.826 209 A HN 0.363 nan 8.150 nan 0.000 0.444 210 Q N 0.251 119.824 119.800 -0.379 0.000 2.443 210 Q HA -0.097 4.243 4.340 -0.001 0.000 0.213 210 Q C 1.976 177.778 176.000 -0.330 0.000 0.982 210 Q CA 1.317 56.913 55.803 -0.345 0.000 0.894 210 Q CB -0.352 28.280 28.738 -0.176 0.000 0.947 210 Q HN 0.822 nan 8.270 nan 0.000 0.480 211 S N -0.672 114.873 115.700 -0.259 0.000 2.660 211 S HA 0.093 4.562 4.470 -0.001 0.000 0.223 211 S C 0.123 174.697 174.600 -0.044 0.000 0.963 211 S CA -0.401 57.757 58.200 -0.069 0.000 0.932 211 S CB -0.368 62.882 63.200 0.083 0.000 0.775 211 S HN 0.314 nan 8.310 nan 0.000 0.531 212 F N -2.348 117.416 119.950 -0.310 0.000 2.685 212 F HA 0.794 5.320 4.527 -0.001 0.000 0.315 212 F C -3.447 171.869 175.800 -0.806 0.000 1.126 212 F CA -3.143 54.382 58.000 -0.791 0.000 0.950 212 F CB -0.142 38.432 39.000 -0.710 0.000 1.360 212 F HN -0.309 nan 8.300 nan 0.000 0.469 213 P HA 0.025 nan 4.420 nan 0.000 0.258 213 P C 0.313 177.439 177.300 -0.290 0.000 1.172 213 P CA 0.371 63.075 63.100 -0.659 0.000 0.762 213 P CB 0.594 31.689 31.700 -1.008 0.000 0.764 214 Q N 3.401 123.072 119.800 -0.214 0.000 2.077 214 Q HA -0.205 4.135 4.340 -0.001 0.000 0.206 214 Q C 1.625 177.668 176.000 0.073 0.000 0.989 214 Q CA 1.757 57.501 55.803 -0.098 0.000 0.853 214 Q CB -0.880 27.802 28.738 -0.094 0.000 0.907 214 Q HN 0.609 nan 8.270 nan 0.000 0.418 215 N N -0.273 118.482 118.700 0.093 0.000 2.651 215 N HA -0.187 4.552 4.740 -0.001 0.000 0.193 215 N C 0.910 176.612 175.510 0.320 0.000 1.149 215 N CA 0.772 53.927 53.050 0.175 0.000 0.933 215 N CB -0.399 38.181 38.487 0.155 0.000 0.974 215 N HN 0.241 nan 8.380 nan 0.000 0.448 216 W N 0.235 121.578 121.300 0.072 0.000 2.640 216 W HA 0.335 4.994 4.660 -0.001 0.000 0.268 216 W C 0.479 177.025 176.519 0.045 0.000 1.263 216 W CA -0.436 56.937 57.345 0.046 0.000 1.344 216 W CB -0.607 28.898 29.460 0.074 0.000 1.093 216 W HN 0.013 nan 8.180 nan 0.000 0.603 217 L N 2.378 123.811 121.223 0.351 0.000 2.313 217 L HA 0.270 4.609 4.340 -0.001 0.000 0.282 217 L C -0.098 176.842 176.870 0.116 0.000 1.092 217 L CA 0.250 55.227 54.840 0.228 0.000 0.831 217 L CB 0.446 42.643 42.059 0.229 0.000 1.159 217 L HN -0.390 nan 8.230 nan 0.000 0.442 218 K N 6.580 127.019 120.400 0.064 0.000 2.579 218 K HA 0.368 4.688 4.320 -0.001 0.000 0.225 218 K C -0.808 175.810 176.600 0.031 0.000 0.992 218 K CA -0.414 55.899 56.287 0.043 0.000 1.018 218 K CB 0.256 32.768 32.500 0.021 0.000 1.249 218 K HN 0.667 nan 8.250 nan 0.000 0.489 219 L N 0.940 122.184 121.223 0.034 0.000 2.470 219 L HA 0.119 4.458 4.340 -0.001 0.000 0.243 219 L C 1.241 178.115 176.870 0.007 0.000 1.227 219 L CA -0.229 54.622 54.840 0.018 0.000 0.824 219 L CB 0.049 42.123 42.059 0.024 0.000 1.175 219 L HN 0.682 nan 8.230 nan 0.000 0.503 220 S N -1.188 114.506 115.700 -0.010 0.000 3.350 220 S HA -0.219 4.251 4.470 -0.001 0.000 0.341 220 S C 0.046 174.637 174.600 -0.014 0.000 1.176 220 S CA 0.986 59.178 58.200 -0.013 0.000 0.972 220 S CB -1.212 61.994 63.200 0.010 0.000 0.953 220 S HN 0.743 nan 8.310 nan 0.000 0.565 221 c N 2.256 120.843 118.600 -0.022 0.000 2.251 221 c HA 0.634 5.204 4.570 -0.001 0.000 0.323 221 c C 0.123 174.183 174.090 -0.050 0.000 1.241 221 c CA -0.782 55.545 56.329 -0.003 0.000 1.601 221 c CB 0.451 42.989 42.510 0.046 0.000 2.251 221 c HN 0.542 nan 8.230 nan 0.000 0.488 222 E N 5.051 125.224 120.200 -0.045 0.000 2.046 222 E HA 0.381 4.730 4.350 -0.001 0.000 0.279 222 E C -0.637 175.955 176.600 -0.014 0.000 0.989 222 E CA -0.354 56.005 56.400 -0.067 0.000 0.798 222 E CB 1.142 30.841 29.700 -0.001 0.000 1.086 222 E HN 0.730 nan 8.360 nan 0.000 0.399 223 V N 6.395 126.294 119.914 -0.025 0.000 2.529 223 V HA -0.062 4.058 4.120 -0.001 0.000 0.292 223 V C 1.294 177.376 176.094 -0.020 0.000 1.028 223 V CA 0.694 62.983 62.300 -0.019 0.000 1.074 223 V CB 0.723 32.523 31.823 -0.038 0.000 0.958 223 V HN 0.746 nan 8.190 nan 0.000 0.481 224 K N 2.790 123.173 120.400 -0.028 0.000 2.367 224 K HA 0.260 4.580 4.320 -0.001 0.000 0.195 224 K C 0.291 176.844 176.600 -0.079 0.000 1.060 224 K CA 0.306 56.575 56.287 -0.030 0.000 1.022 224 K CB 0.653 33.146 32.500 -0.011 0.000 0.894 224 K HN 0.667 nan 8.250 nan 0.000 0.540 225 S N 0.317 115.946 115.700 -0.119 0.000 2.565 225 S HA 0.504 4.974 4.470 -0.001 0.000 0.274 225 S C -0.950 173.517 174.600 -0.221 0.000 1.144 225 S CA -1.062 57.025 58.200 -0.188 0.000 0.849 225 S CB 0.990 64.120 63.200 -0.115 0.000 1.103 225 S HN 0.171 nan 8.310 nan 0.000 0.455 226 I N 1.866 122.233 120.570 -0.337 0.000 2.439 226 I HA 0.428 4.597 4.170 -0.001 0.000 0.285 226 I C -0.777 175.251 176.117 -0.147 0.000 1.021 226 I CA -0.410 60.730 61.300 -0.268 0.000 1.091 226 I CB 2.180 39.936 38.000 -0.407 0.000 1.242 226 I HN 0.682 nan 8.210 nan 0.000 0.439 227 T N 4.624 119.135 114.554 -0.073 0.000 2.807 227 T HA 0.395 4.744 4.350 -0.001 0.000 0.279 227 T C -0.177 174.515 174.700 -0.013 0.000 0.993 227 T CA -0.671 61.415 62.100 -0.024 0.000 0.970 227 T CB 1.677 70.531 68.868 -0.025 0.000 0.950 227 T HN 0.347 nan 8.240 nan 0.000 0.441 228 R N 3.027 123.535 120.500 0.013 0.000 2.230 228 R HA 0.221 4.561 4.340 -0.001 0.000 0.337 228 R C -0.360 175.935 176.300 -0.009 0.000 1.063 228 R CA -0.399 55.701 56.100 0.001 0.000 0.935 228 R CB 0.017 30.330 30.300 0.022 0.000 1.121 228 R HN 0.399 nan 8.270 nan 0.000 0.486 229 E N 6.989 127.175 120.200 -0.024 0.000 2.166 229 E HA 0.073 4.423 4.350 -0.001 0.000 0.279 229 E C -1.656 174.927 176.600 -0.027 0.000 1.095 229 E CA -2.236 54.149 56.400 -0.024 0.000 0.888 229 E CB 0.979 30.660 29.700 -0.031 0.000 1.041 229 E HN 0.501 nan 8.360 nan 0.000 0.414 230 P HA -0.192 nan 4.420 nan 0.000 0.221 230 P C 0.703 177.987 177.300 -0.027 0.000 1.141 230 P CA 0.982 64.071 63.100 -0.019 0.000 0.794 230 P CB 0.112 31.805 31.700 -0.010 0.000 0.764 231 S N -0.203 115.480 115.700 -0.029 0.000 3.054 231 S HA 0.007 4.476 4.470 -0.001 0.000 0.243 231 S C 0.513 175.086 174.600 -0.044 0.000 1.013 231 S CA -0.183 57.998 58.200 -0.032 0.000 1.119 231 S CB -1.123 62.060 63.200 -0.028 0.000 0.838 231 S HN 0.073 nan 8.310 nan 0.000 0.505 232 K N 0.262 120.629 120.400 -0.056 0.000 3.162 232 K HA -0.127 4.192 4.320 -0.001 0.000 0.268 232 K C -0.791 175.746 176.600 -0.106 0.000 1.062 232 K CA 0.672 56.909 56.287 -0.082 0.000 0.769 232 K CB -2.635 29.823 32.500 -0.069 0.000 1.274 232 K HN 0.682 nan 8.250 nan 0.000 0.478 233 N N -0.890 117.749 118.700 -0.101 0.000 2.823 233 N HA 0.412 5.151 4.740 -0.001 0.000 0.251 233 N C -1.193 174.261 175.510 -0.094 0.000 1.392 233 N CA -0.639 52.347 53.050 -0.105 0.000 0.864 233 N CB 2.232 40.675 38.487 -0.073 0.000 1.481 233 N HN -0.100 nan 8.380 nan 0.000 0.508 234 V N 1.116 120.974 119.914 -0.094 0.000 2.483 234 V HA 0.434 4.554 4.120 -0.001 0.000 0.297 234 V C -0.338 175.724 176.094 -0.053 0.000 1.027 234 V CA -0.459 61.797 62.300 -0.074 0.000 0.855 234 V CB 1.702 33.473 31.823 -0.087 0.000 0.995 234 V HN 0.668 nan 8.190 nan 0.000 0.424 235 T N 4.601 119.129 114.554 -0.044 0.000 2.799 235 T HA 0.636 4.985 4.350 -0.001 0.000 0.286 235 T C -0.266 174.411 174.700 -0.038 0.000 0.973 235 T CA -0.386 61.693 62.100 -0.034 0.000 1.035 235 T CB 1.537 70.383 68.868 -0.036 0.000 0.932 235 T HN 0.352 nan 8.240 nan 0.000 0.469 236 V N 4.162 124.071 119.914 -0.008 0.000 2.604 236 V HA 0.472 4.592 4.120 -0.001 0.000 0.305 236 V C -0.407 175.699 176.094 0.019 0.000 1.043 236 V CA -1.058 61.240 62.300 -0.004 0.000 0.888 236 V CB 1.900 33.738 31.823 0.025 0.000 0.995 236 V HN 0.828 nan 8.190 nan 0.000 0.429 237 N N 2.287 120.977 118.700 -0.016 0.000 2.483 237 N HA 0.367 5.106 4.740 -0.001 0.000 0.267 237 N C -0.656 174.850 175.510 -0.007 0.000 0.998 237 N CA -0.336 52.699 53.050 -0.026 0.000 0.918 237 N CB 1.815 40.274 38.487 -0.047 0.000 1.215 237 N HN 0.570 nan 8.380 nan 0.000 0.500 238 c N 1.069 119.679 118.600 0.016 0.000 2.649 238 c HA 0.021 4.591 4.570 -0.001 0.000 0.377 238 c C 2.223 176.312 174.090 -0.002 0.000 1.321 238 c CA -0.182 56.164 56.329 0.029 0.000 2.368 238 c CB 0.274 42.823 42.510 0.066 0.000 2.597 238 c HN 0.769 nan 8.230 nan 0.000 0.678 239 E N 0.825 121.029 120.200 0.007 0.000 2.285 239 E HA -0.145 4.204 4.350 -0.001 0.000 0.194 239 E C 0.997 177.597 176.600 -0.001 0.000 0.997 239 E CA 1.570 57.973 56.400 0.006 0.000 0.845 239 E CB -0.440 29.275 29.700 0.024 0.000 0.782 239 E HN 0.764 nan 8.360 nan 0.000 0.491 240 D N -0.049 120.351 120.400 0.001 0.000 2.379 240 D HA 0.020 4.660 4.640 -0.001 0.000 0.243 240 D C 1.469 177.753 176.300 -0.026 0.000 1.088 240 D CA 0.906 54.904 54.000 -0.004 0.000 0.925 240 D CB -0.068 40.737 40.800 0.008 0.000 0.888 240 D HN 0.362 nan 8.370 nan 0.000 0.529 241 G N -0.363 108.415 108.800 -0.037 0.000 2.336 241 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.233 241 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.233 241 G C 0.700 175.539 174.900 -0.101 0.000 1.053 241 G CA 0.544 45.610 45.100 -0.057 0.000 0.625 241 G HN 0.878 nan 8.290 nan 0.000 0.511 242 T N -0.908 113.562 114.554 -0.140 0.000 2.788 242 T HA 0.436 4.786 4.350 -0.001 0.000 0.333 242 T C 0.050 174.555 174.700 -0.324 0.000 1.090 242 T CA 0.496 62.424 62.100 -0.285 0.000 1.094 242 T CB 1.999 70.607 68.868 -0.433 0.000 0.999 242 T HN 1.258 nan 8.240 nan 0.000 0.549 243 V N 2.249 121.888 119.914 -0.458 0.000 2.577 243 V HA 0.385 4.505 4.120 -0.001 0.000 0.294 243 V C -1.271 174.600 176.094 -0.371 0.000 1.052 243 V CA -1.099 61.016 62.300 -0.309 0.000 0.891 243 V CB 0.712 32.435 31.823 -0.168 0.000 1.017 243 V HN 0.926 nan 8.190 nan 0.000 0.436 244 Y N 2.389 122.654 120.300 -0.057 0.000 2.496 244 Y HA 0.662 5.211 4.550 -0.001 0.000 0.331 244 Y C 0.395 176.254 175.900 -0.068 0.000 1.140 244 Y CA -0.621 57.441 58.100 -0.063 0.000 1.166 244 Y CB 1.632 40.048 38.460 -0.073 0.000 1.249 244 Y HN 0.657 nan 8.280 nan 0.000 0.479 245 N N 0.528 119.288 118.700 0.100 0.000 2.269 245 N HA 0.786 5.525 4.740 -0.001 0.000 0.304 245 N C -1.797 173.710 175.510 -0.006 0.000 1.072 245 N CA -0.423 52.638 53.050 0.019 0.000 0.802 245 N CB 1.676 40.160 38.487 -0.005 0.000 1.348 245 N HN 0.839 nan 8.380 nan 0.000 0.484 246 A N 1.662 124.457 122.820 -0.041 0.000 2.604 246 A HA 0.358 4.678 4.320 -0.001 0.000 0.295 246 A C -0.276 177.248 177.584 -0.101 0.000 1.067 246 A CA -0.599 51.398 52.037 -0.066 0.000 0.683 246 A CB 0.932 19.887 19.000 -0.075 0.000 1.281 246 A HN 0.687 nan 8.150 nan 0.000 0.407 247 D N -0.381 119.957 120.400 -0.104 0.000 2.149 247 D HA 0.036 4.675 4.640 -0.001 0.000 0.201 247 D C -0.494 175.538 176.300 -0.447 0.000 0.972 247 D CA 2.205 56.069 54.000 -0.228 0.000 0.835 247 D CB 0.072 40.811 40.800 -0.101 0.000 0.966 247 D HN 0.527 nan 8.370 nan 0.000 0.476 248 Y N -0.893 119.357 120.300 -0.084 0.000 2.492 248 Y HA 0.345 4.894 4.550 -0.001 0.000 0.346 248 Y C -0.359 175.473 175.900 -0.114 0.000 0.997 248 Y CA -1.239 56.806 58.100 -0.091 0.000 1.025 248 Y CB 2.371 40.778 38.460 -0.089 0.000 1.263 248 Y HN -0.330 nan 8.280 nan 0.000 0.454 249 V N 1.161 121.103 119.914 0.047 0.000 2.638 249 V HA 0.650 4.770 4.120 -0.001 0.000 0.306 249 V C -0.883 175.165 176.094 -0.077 0.000 1.052 249 V CA -0.925 61.349 62.300 -0.044 0.000 0.885 249 V CB 1.753 33.530 31.823 -0.076 0.000 0.999 249 V HN 0.704 nan 8.190 nan 0.000 0.424 250 I N 5.689 126.206 120.570 -0.088 0.000 2.371 250 I HA 0.437 4.607 4.170 -0.001 0.000 0.282 250 I C -0.365 175.708 176.117 -0.073 0.000 1.031 250 I CA -0.341 60.901 61.300 -0.097 0.000 1.180 250 I CB 1.321 39.275 38.000 -0.078 0.000 1.336 250 I HN 0.559 nan 8.210 nan 0.000 0.467 251 I N 5.719 126.226 120.570 -0.105 0.000 2.396 251 I HA 0.064 4.234 4.170 -0.001 0.000 0.289 251 I C 1.192 177.412 176.117 0.172 0.000 1.056 251 I CA 0.269 61.590 61.300 0.036 0.000 1.365 251 I CB 0.909 38.958 38.000 0.081 0.000 1.407 251 I HN 0.594 nan 8.210 nan 0.000 0.509 252 T N 2.767 117.421 114.554 0.167 0.000 3.252 252 T HA 0.236 4.586 4.350 -0.001 0.000 0.286 252 T C 0.150 175.001 174.700 0.253 0.000 1.013 252 T CA -0.499 61.730 62.100 0.215 0.000 0.914 252 T CB -0.411 68.534 68.868 0.129 0.000 1.131 252 T HN 0.345 nan 8.240 nan 0.000 0.529 253 V N -0.546 119.521 119.914 0.254 0.000 2.811 253 V HA 0.528 4.647 4.120 -0.001 0.000 0.302 253 V C -2.704 173.474 176.094 0.140 0.000 1.063 253 V CA -2.237 60.178 62.300 0.193 0.000 1.088 253 V CB 0.082 32.013 31.823 0.181 0.000 0.982 253 V HN 0.046 nan 8.190 nan 0.000 0.485 254 P HA 0.015 nan 4.420 nan 0.000 0.265 254 P C 0.714 177.819 177.300 -0.325 0.000 1.187 254 P CA 0.383 63.416 63.100 -0.112 0.000 0.766 254 P CB 0.364 32.032 31.700 -0.054 0.000 0.820 255 Q N 2.792 122.240 119.800 -0.587 0.000 2.133 255 Q HA -0.273 4.067 4.340 -0.001 0.000 0.208 255 Q C 1.761 177.634 176.000 -0.213 0.000 0.991 255 Q CA 2.614 58.197 55.803 -0.366 0.000 0.867 255 Q CB -0.317 28.346 28.738 -0.125 0.000 0.911 255 Q HN 0.605 nan 8.270 nan 0.000 0.417 256 S N -1.049 114.254 115.700 -0.663 0.000 2.382 256 S HA -0.121 4.348 4.470 -0.001 0.000 0.228 256 S C 1.892 176.310 174.600 -0.303 0.000 1.027 256 S CA 1.442 59.269 58.200 -0.623 0.000 0.991 256 S CB -0.518 62.022 63.200 -1.100 0.000 0.823 256 S HN 0.268 nan 8.310 nan 0.000 0.469 257 V N 1.279 121.060 119.914 -0.222 0.000 2.535 257 V HA 0.069 4.188 4.120 -0.001 0.000 0.246 257 V C 2.392 178.478 176.094 -0.015 0.000 1.045 257 V CA 1.201 63.456 62.300 -0.075 0.000 1.058 257 V CB -0.774 31.059 31.823 0.017 0.000 0.689 257 V HN 0.419 nan 8.190 nan 0.000 0.461 258 L N 1.227 122.469 121.223 0.033 0.000 2.191 258 L HA -0.120 4.220 4.340 -0.001 0.000 0.212 258 L C 2.069 178.911 176.870 -0.046 0.000 1.103 258 L CA 1.864 56.794 54.840 0.151 0.000 0.769 258 L CB -1.000 41.228 42.059 0.283 0.000 0.908 258 L HN 0.409 nan 8.230 nan 0.000 0.438 259 N N -0.625 117.923 118.700 -0.254 0.000 2.289 259 N HA -0.177 4.562 4.740 -0.001 0.000 0.184 259 N C 1.700 176.901 175.510 -0.516 0.000 1.016 259 N CA 1.187 53.716 53.050 -0.869 0.000 0.872 259 N CB -0.243 37.928 38.487 -0.528 0.000 0.973 259 N HN 0.455 nan 8.380 nan 0.000 0.433 260 L N -0.455 120.625 121.223 -0.239 0.000 2.353 260 L HA -0.092 4.248 4.340 -0.001 0.000 0.220 260 L C 1.924 178.740 176.870 -0.090 0.000 1.133 260 L CA 0.648 55.407 54.840 -0.135 0.000 0.798 260 L CB -0.344 41.677 42.059 -0.063 0.000 0.922 260 L HN 0.175 nan 8.230 nan 0.000 0.445 261 S N -0.043 115.616 115.700 -0.068 0.000 2.406 261 S HA -0.087 4.382 4.470 -0.001 0.000 0.228 261 S C 1.634 176.210 174.600 -0.040 0.000 1.020 261 S CA 1.111 59.335 58.200 0.040 0.000 0.965 261 S CB -0.147 63.178 63.200 0.209 0.000 0.798 261 S HN 0.427 nan 8.310 nan 0.000 0.488 262 V N 0.119 119.924 119.914 -0.183 0.000 3.513 262 V HA 0.266 4.385 4.120 -0.001 0.000 0.311 262 V C -0.250 175.777 176.094 -0.113 0.000 1.218 262 V CA 0.055 62.260 62.300 -0.159 0.000 1.266 262 V CB -1.386 30.279 31.823 -0.265 0.000 1.074 262 V HN 0.273 nan 8.190 nan 0.000 0.421 263 Q N 1.266 121.017 119.800 -0.080 0.000 2.309 263 Q HA 0.502 4.841 4.340 -0.001 0.000 0.273 263 Q C -2.940 173.044 176.000 -0.026 0.000 1.040 263 Q CA -1.625 54.145 55.803 -0.054 0.000 0.834 263 Q CB 3.101 31.798 28.738 -0.069 0.000 1.345 263 Q HN 0.200 nan 8.270 nan 0.000 0.414 264 P HA 0.084 nan 4.420 nan 0.000 0.271 264 P C -1.000 176.296 177.300 -0.008 0.000 1.216 264 P CA 0.148 63.245 63.100 -0.005 0.000 0.771 264 P CB 0.685 32.384 31.700 -0.003 0.000 0.864 265 E N 1.340 121.538 120.200 -0.003 0.000 6.559 265 E HA -0.029 4.320 4.350 -0.001 0.000 0.203 265 E C 0.036 176.635 176.600 -0.002 0.000 0.998 265 E CA -0.185 56.212 56.400 -0.005 0.000 1.460 265 E CB -0.536 29.157 29.700 -0.012 0.000 0.870 265 E HN 0.435 nan 8.360 nan 0.000 0.306 266 K N 0.374 120.776 120.400 0.002 0.000 2.243 266 K HA -0.009 4.311 4.320 -0.001 0.000 0.201 266 K C 1.064 177.667 176.600 0.005 0.000 1.051 266 K CA 0.467 56.758 56.287 0.006 0.000 0.970 266 K CB -0.012 32.491 32.500 0.006 0.000 0.755 266 K HN 0.069 nan 8.250 nan 0.000 0.465 267 N N 1.580 120.280 118.700 0.001 0.000 3.091 267 N HA 0.079 4.818 4.740 -0.001 0.000 0.301 267 N C -1.261 174.247 175.510 -0.004 0.000 1.325 267 N CA 0.028 53.078 53.050 0.001 0.000 1.143 267 N CB -0.170 38.317 38.487 -0.001 0.000 1.450 267 N HN 0.027 nan 8.380 nan 0.000 0.542 268 L N 1.184 122.405 121.223 -0.003 0.000 2.296 268 L HA 0.452 4.791 4.340 -0.001 0.000 0.286 268 L C 0.408 177.272 176.870 -0.009 0.000 1.023 268 L CA -1.029 53.801 54.840 -0.017 0.000 0.812 268 L CB 1.391 43.437 42.059 -0.022 0.000 1.223 268 L HN 0.102 nan 8.230 nan 0.000 0.421 269 R N 2.398 122.872 120.500 -0.042 0.000 2.488 269 R HA 0.170 4.510 4.340 -0.001 0.000 0.317 269 R C 1.112 177.393 176.300 -0.031 0.000 0.941 269 R CA 1.122 57.188 56.100 -0.055 0.000 1.076 269 R CB -0.022 30.153 30.300 -0.209 0.000 0.917 269 R HN 0.987 nan 8.270 nan 0.000 0.407 270 G N 2.421 111.356 108.800 0.225 0.000 2.234 270 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.235 270 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.235 270 G C 0.249 175.246 174.900 0.163 0.000 0.997 270 G CA -0.014 45.287 45.100 0.335 0.000 0.623 270 G HN 0.591 nan 8.290 nan 0.000 0.514 271 R N 1.027 121.580 120.500 0.088 0.000 2.449 271 R HA 0.511 4.850 4.340 -0.001 0.000 0.296 271 R C 0.082 176.415 176.300 0.054 0.000 1.047 271 R CA -0.201 55.937 56.100 0.063 0.000 1.018 271 R CB -0.015 30.304 30.300 0.031 0.000 0.962 271 R HN 0.319 nan 8.270 nan 0.000 0.428 272 I N 3.359 123.968 120.570 0.065 0.000 2.359 272 I HA 0.144 4.313 4.170 -0.001 0.000 0.294 272 I C -0.068 176.024 176.117 -0.042 0.000 0.987 272 I CA -0.689 60.580 61.300 -0.053 0.000 1.225 272 I CB 1.786 39.687 38.000 -0.166 0.000 1.366 272 I HN 0.602 nan 8.210 nan 0.000 0.466 273 E N 6.054 126.184 120.200 -0.116 0.000 2.115 273 E HA 0.354 4.703 4.350 -0.001 0.000 0.282 273 E C -1.542 174.999 176.600 -0.098 0.000 0.987 273 E CA -0.225 56.161 56.400 -0.023 0.000 0.797 273 E CB 0.503 30.192 29.700 -0.019 0.000 1.086 273 E HN 0.215 nan 8.360 nan 0.000 0.397 274 F N 3.334 123.307 119.950 0.038 0.000 2.404 274 F HA 0.422 4.948 4.527 -0.001 0.000 0.339 274 F C 0.263 176.082 175.800 0.031 0.000 1.105 274 F CA -0.428 57.599 58.000 0.045 0.000 1.087 274 F CB 1.489 40.535 39.000 0.077 0.000 1.143 274 F HN 0.275 nan 8.300 nan 0.000 0.491 275 Q N 4.809 124.719 119.800 0.183 0.000 2.350 275 Q HA 0.274 4.613 4.340 -0.001 0.000 0.255 275 Q C -2.680 173.377 176.000 0.095 0.000 0.951 275 Q CA -2.149 53.721 55.803 0.111 0.000 0.751 275 Q CB 2.375 31.145 28.738 0.053 0.000 1.296 275 Q HN 0.273 nan 8.270 nan 0.000 0.453 276 P HA 0.164 nan 4.420 nan 0.000 0.269 276 P C -2.467 174.920 177.300 0.146 0.000 1.215 276 P CA -1.077 62.080 63.100 0.095 0.000 0.780 276 P CB 0.175 31.915 31.700 0.066 0.000 0.898 277 P HA 0.081 nan 4.420 nan 0.000 0.269 277 P C 0.161 177.490 177.300 0.048 0.000 1.215 277 P CA -0.021 63.153 63.100 0.122 0.000 0.780 277 P CB 0.504 32.252 31.700 0.079 0.000 0.898 278 L N 2.044 123.235 121.223 -0.053 0.000 2.706 278 L HA -0.085 4.254 4.340 -0.001 0.000 0.282 278 L C 1.455 178.300 176.870 -0.041 0.000 1.219 278 L CA 0.476 55.234 54.840 -0.136 0.000 0.935 278 L CB -0.718 41.193 42.059 -0.247 0.000 1.204 278 L HN 0.349 nan 8.230 nan 0.000 0.491 279 K N 5.585 125.973 120.400 -0.020 0.000 2.542 279 K HA -0.080 4.240 4.320 -0.001 0.000 0.276 279 K C -1.212 175.381 176.600 -0.012 0.000 0.963 279 K CA -0.823 55.461 56.287 -0.006 0.000 0.975 279 K CB 0.062 32.563 32.500 0.000 0.000 0.901 279 K HN 0.432 nan 8.250 nan 0.000 0.506 280 P HA -0.166 nan 4.420 nan 0.000 0.216 280 P C 1.257 178.549 177.300 -0.014 0.000 1.150 280 P CA 1.168 64.267 63.100 -0.003 0.000 0.837 280 P CB 0.089 31.789 31.700 0.000 0.000 0.786 281 V N -0.247 119.650 119.914 -0.028 0.000 2.594 281 V HA -0.185 3.935 4.120 -0.001 0.000 0.253 281 V C 2.577 178.618 176.094 -0.087 0.000 1.069 281 V CA 1.371 63.641 62.300 -0.049 0.000 1.082 281 V CB -0.854 30.941 31.823 -0.048 0.000 0.680 281 V HN 0.039 nan 8.190 nan 0.000 0.469 282 I N -0.982 119.533 120.570 -0.092 0.000 2.494 282 I HA -0.158 4.012 4.170 -0.001 0.000 0.250 282 I C 2.589 178.676 176.117 -0.050 0.000 1.112 282 I CA 0.904 62.107 61.300 -0.162 0.000 1.438 282 I CB -0.220 37.663 38.000 -0.194 0.000 1.111 282 I HN 0.309 nan 8.210 nan 0.000 0.431 283 Q N 0.750 120.598 119.800 0.080 0.000 2.020 283 Q HA -0.245 4.094 4.340 -0.001 0.000 0.202 283 Q C 1.625 177.747 176.000 0.202 0.000 0.982 283 Q CA 1.756 57.697 55.803 0.231 0.000 0.838 283 Q CB -0.298 28.492 28.738 0.086 0.000 0.899 283 Q HN 0.434 nan 8.270 nan 0.000 0.423 284 D N 0.619 121.055 120.400 0.060 0.000 2.265 284 D HA -0.105 4.534 4.640 -0.001 0.000 0.208 284 D C 1.555 177.842 176.300 -0.021 0.000 0.977 284 D CA 1.125 55.140 54.000 0.025 0.000 0.871 284 D CB -0.159 40.639 40.800 -0.002 0.000 0.925 284 D HN 0.298 nan 8.370 nan 0.000 0.485 285 A N -0.466 122.292 122.820 -0.103 0.000 2.066 285 A HA -0.063 4.256 4.320 -0.001 0.000 0.218 285 A C 1.748 179.159 177.584 -0.288 0.000 1.157 285 A CA 0.463 52.366 52.037 -0.223 0.000 0.670 285 A CB -0.758 18.044 19.000 -0.330 0.000 0.804 285 A HN 0.169 nan 8.150 nan 0.000 0.453 286 F N 0.690 120.559 119.950 -0.136 0.000 2.234 286 F HA -0.127 4.399 4.527 -0.001 0.000 0.299 286 F C 1.652 177.319 175.800 -0.222 0.000 1.087 286 F CA 1.315 59.212 58.000 -0.171 0.000 1.340 286 F CB -0.023 38.897 39.000 -0.132 0.000 1.031 286 F HN 0.223 nan 8.300 nan 0.000 0.500 287 D N -0.154 120.260 120.400 0.023 0.000 2.350 287 D HA -0.089 4.550 4.640 -0.001 0.000 0.216 287 D C 1.679 177.929 176.300 -0.082 0.000 0.968 287 D CA 0.765 54.759 54.000 -0.009 0.000 0.894 287 D CB -0.134 40.687 40.800 0.035 0.000 0.909 287 D HN 0.183 nan 8.370 nan 0.000 0.520 288 K N 0.282 120.597 120.400 -0.140 0.000 2.358 288 K HA 0.259 4.578 4.320 -0.001 0.000 0.200 288 K C 0.656 177.141 176.600 -0.191 0.000 1.030 288 K CA -0.126 56.081 56.287 -0.134 0.000 1.097 288 K CB 1.070 33.510 32.500 -0.101 0.000 0.862 288 K HN 0.344 nan 8.250 nan 0.000 0.534 289 I N -3.632 116.734 120.570 -0.340 0.000 2.882 289 I HA 0.391 4.561 4.170 -0.001 0.000 0.298 289 I C -0.823 174.950 176.117 -0.572 0.000 1.462 289 I CA -0.908 60.187 61.300 -0.340 0.000 1.000 289 I CB 2.009 39.890 38.000 -0.199 0.000 1.340 289 I HN -0.185 nan 8.210 nan 0.000 0.462 290 H N 2.001 120.872 119.070 -0.332 0.000 3.024 290 H HA 0.585 5.141 4.556 -0.001 0.000 0.305 290 H C -1.697 173.567 175.328 -0.107 0.000 1.506 290 H CA -0.566 55.258 56.048 -0.374 0.000 1.324 290 H CB 2.222 31.284 29.762 -1.166 0.000 1.925 290 H HN 0.491 nan 8.280 nan 0.000 0.661 291 F N 0.115 120.027 119.950 -0.063 0.000 2.480 291 F HA 0.472 4.999 4.527 -0.001 0.000 0.329 291 F C 0.787 176.602 175.800 0.024 0.000 1.091 291 F CA -0.292 57.699 58.000 -0.015 0.000 0.972 291 F CB 1.619 40.628 39.000 0.015 0.000 1.150 291 F HN 0.512 nan 8.300 nan 0.000 0.467 292 G N 1.099 109.778 108.800 -0.202 0.000 2.488 292 G HA2 0.566 4.526 3.960 -0.001 0.000 0.318 292 G HA3 0.566 4.526 3.960 -0.001 0.000 0.318 292 G C -1.379 173.428 174.900 -0.155 0.000 1.188 292 G CA -0.574 44.445 45.100 -0.136 0.000 0.944 292 G HN 0.881 nan 8.290 nan 0.000 0.495 293 A N 0.698 123.486 122.820 -0.054 0.000 3.204 293 A HA 0.522 4.841 4.320 -0.001 0.000 0.327 293 A C -0.320 177.272 177.584 0.013 0.000 0.998 293 A CA -0.422 51.621 52.037 0.011 0.000 0.891 293 A CB 0.024 19.086 19.000 0.103 0.000 1.061 293 A HN 0.603 nan 8.150 nan 0.000 0.478 294 L N 1.242 122.411 121.223 -0.091 0.000 2.439 294 L HA 0.691 5.030 4.340 -0.001 0.000 0.269 294 L C 0.539 177.498 176.870 0.149 0.000 1.179 294 L CA 0.762 55.630 54.840 0.048 0.000 0.828 294 L CB 1.153 43.246 42.059 0.056 0.000 1.106 294 L HN 0.472 nan 8.230 nan 0.000 0.467 295 G N 3.417 112.334 108.800 0.195 0.000 2.672 295 G HA2 0.575 4.534 3.960 -0.001 0.000 0.292 295 G HA3 0.575 4.534 3.960 -0.001 0.000 0.292 295 G C -1.619 173.390 174.900 0.182 0.000 1.375 295 G CA -0.754 44.478 45.100 0.219 0.000 0.890 295 G HN 0.516 nan 8.290 nan 0.000 0.476 296 K N -0.150 120.339 120.400 0.148 0.000 2.371 296 K HA 0.690 5.009 4.320 -0.001 0.000 0.251 296 K C -1.372 175.171 176.600 -0.095 0.000 0.934 296 K CA -0.802 55.521 56.287 0.059 0.000 0.798 296 K CB 3.045 35.619 32.500 0.124 0.000 1.204 296 K HN 0.255 nan 8.250 nan 0.000 0.427 297 V N 3.727 123.501 119.914 -0.233 0.000 2.638 297 V HA 0.394 4.514 4.120 -0.001 0.000 0.306 297 V C -0.796 174.944 176.094 -0.590 0.000 1.052 297 V CA -0.968 61.040 62.300 -0.486 0.000 0.885 297 V CB 1.861 33.239 31.823 -0.742 0.000 0.999 297 V HN 0.617 nan 8.190 nan 0.000 0.424 298 I N 4.533 124.723 120.570 -0.632 0.000 2.339 298 I HA 0.463 4.633 4.170 -0.001 0.000 0.290 298 I C -0.664 175.058 176.117 -0.658 0.000 0.994 298 I CA -0.481 60.473 61.300 -0.577 0.000 1.191 298 I CB 1.031 38.617 38.000 -0.689 0.000 1.343 298 I HN 0.438 nan 8.210 nan 0.000 0.458 299 F N 4.629 124.472 119.950 -0.180 0.000 2.332 299 F HA 0.368 4.894 4.527 -0.001 0.000 0.368 299 F C 0.830 176.378 175.800 -0.421 0.000 1.110 299 F CA -0.578 57.237 58.000 -0.309 0.000 1.087 299 F CB 0.923 39.815 39.000 -0.180 0.000 1.235 299 F HN 0.390 nan 8.300 nan 0.000 0.470 300 E N 3.508 123.496 120.200 -0.353 0.000 2.216 300 E HA 0.504 4.853 4.350 -0.001 0.000 0.279 300 E C -1.059 175.244 176.600 -0.495 0.000 0.997 300 E CA -0.523 55.746 56.400 -0.218 0.000 0.817 300 E CB 1.596 31.247 29.700 -0.081 0.000 1.096 300 E HN 0.338 nan 8.360 nan 0.000 0.393 301 F N 0.534 120.485 119.950 0.002 0.000 2.618 301 F HA 0.194 4.720 4.527 -0.001 0.000 0.332 301 F C 1.463 177.241 175.800 -0.037 0.000 1.061 301 F CA -0.869 57.113 58.000 -0.030 0.000 0.974 301 F CB 0.936 40.009 39.000 0.121 0.000 1.310 301 F HN 0.388 nan 8.300 nan 0.000 0.491 302 E N 0.804 121.098 120.200 0.156 0.000 1.998 302 E HA -0.118 4.231 4.350 -0.001 0.000 0.196 302 E C 0.027 176.708 176.600 0.135 0.000 1.003 302 E CA 1.739 58.224 56.400 0.143 0.000 0.829 302 E CB -0.036 29.722 29.700 0.097 0.000 0.777 302 E HN 0.685 nan 8.360 nan 0.000 0.460 303 E N -1.847 118.373 120.200 0.032 0.000 2.404 303 E HA 0.388 4.738 4.350 -0.001 0.000 0.264 303 E C -1.143 175.257 176.600 -0.333 0.000 0.946 303 E CA -0.944 55.406 56.400 -0.085 0.000 0.806 303 E CB 1.198 30.847 29.700 -0.086 0.000 1.334 303 E HN 0.192 nan 8.360 nan 0.000 0.429 304 C N 1.876 120.864 119.300 -0.521 0.000 2.225 304 C HA 0.516 4.976 4.460 -0.001 0.000 0.328 304 C C 0.539 174.990 174.990 -0.898 0.000 1.187 304 C CA -0.573 57.754 59.018 -1.152 0.000 1.665 304 C CB -1.643 25.479 27.740 -1.030 0.000 2.253 304 C HN 0.669 nan 8.230 nan 0.000 0.497 305 C N 5.625 124.417 119.300 -0.846 0.000 2.792 305 C HA 0.792 5.251 4.460 -0.001 0.000 0.306 305 C C -0.611 174.299 174.990 -0.134 0.000 1.462 305 C CA -0.836 57.969 59.018 -0.354 0.000 1.640 305 C CB -2.588 25.054 27.740 -0.164 0.000 2.434 305 C HN 0.981 nan 8.230 nan 0.000 0.538 306 W N -0.581 120.675 121.300 -0.073 0.000 3.137 306 W HA 0.678 5.338 4.660 0.000 0.000 0.324 306 W C -0.564 175.939 176.519 -0.028 0.000 1.253 306 W CA -1.227 56.084 57.345 -0.056 0.000 1.183 306 W CB 0.120 29.539 29.460 -0.069 0.000 1.424 306 W HN 0.154 nan 8.180 nan 0.000 0.566 307 S N 1.412 117.289 115.700 0.296 0.000 2.560 307 S HA 0.137 4.607 4.470 -0.001 0.000 0.284 307 S C 0.081 174.837 174.600 0.261 0.000 1.327 307 S CA 0.103 58.416 58.200 0.188 0.000 1.055 307 S CB 0.082 63.348 63.200 0.110 0.000 0.868 307 S HN 0.511 nan 8.310 nan 0.000 0.506 308 N N 3.315 122.107 118.700 0.153 0.000 2.610 308 N HA 0.101 4.840 4.740 -0.001 0.000 0.309 308 N C 0.806 176.355 175.510 0.065 0.000 1.536 308 N CA -0.137 52.997 53.050 0.140 0.000 0.954 308 N CB 0.689 39.243 38.487 0.111 0.000 1.310 308 N HN 0.815 nan 8.380 nan 0.000 0.502 309 E N 0.066 120.294 120.200 0.046 0.000 2.110 309 E HA -0.075 4.274 4.350 -0.001 0.000 0.193 309 E C 0.148 176.745 176.600 -0.005 0.000 0.988 309 E CA 0.687 57.097 56.400 0.015 0.000 0.804 309 E CB 0.384 30.088 29.700 0.007 0.000 0.745 309 E HN 0.169 nan 8.360 nan 0.000 0.458 310 S N -2.129 113.557 115.700 -0.023 0.000 2.656 310 S HA 0.249 4.718 4.470 -0.001 0.000 0.273 310 S C -0.013 174.536 174.600 -0.086 0.000 1.168 310 S CA -0.144 58.021 58.200 -0.058 0.000 0.817 310 S CB 1.541 64.683 63.200 -0.096 0.000 1.146 310 S HN 0.121 nan 8.310 nan 0.000 0.475 311 S N 0.660 116.290 115.700 -0.117 0.000 2.559 311 S HA 0.411 4.880 4.470 -0.001 0.000 0.226 311 S C -0.326 174.114 174.600 -0.267 0.000 1.000 311 S CA -0.397 57.715 58.200 -0.148 0.000 0.948 311 S CB -0.067 63.078 63.200 -0.091 0.000 0.870 311 S HN 0.470 nan 8.310 nan 0.000 0.497 312 K N 1.914 122.104 120.400 -0.350 0.000 2.425 312 K HA 0.564 4.883 4.320 -0.001 0.000 0.259 312 K C -1.193 175.090 176.600 -0.528 0.000 0.978 312 K CA -0.172 55.765 56.287 -0.583 0.000 0.883 312 K CB 1.495 33.353 32.500 -1.070 0.000 1.110 312 K HN 0.335 nan 8.250 nan 0.000 0.436 313 I N 2.156 122.486 120.570 -0.400 0.000 2.498 313 I HA 0.376 4.546 4.170 -0.001 0.000 0.290 313 I C -0.554 175.587 176.117 0.040 0.000 1.032 313 I CA -1.290 59.872 61.300 -0.230 0.000 1.073 313 I CB 2.276 40.096 38.000 -0.299 0.000 1.251 313 I HN 0.034 nan 8.210 nan 0.000 0.426 314 V N 3.561 123.567 119.914 0.154 0.000 2.588 314 V HA 0.428 4.548 4.120 -0.001 0.000 0.304 314 V C 0.018 176.334 176.094 0.370 0.000 1.042 314 V CA -0.610 61.941 62.300 0.418 0.000 0.877 314 V CB 2.195 34.370 31.823 0.587 0.000 0.996 314 V HN 0.839 nan 8.190 nan 0.000 0.425 315 T N 3.806 118.594 114.554 0.389 0.000 2.749 315 T HA 0.699 5.048 4.350 -0.001 0.000 0.287 315 T C -0.351 174.582 174.700 0.388 0.000 0.970 315 T CA -0.545 61.765 62.100 0.349 0.000 0.980 315 T CB 0.473 69.466 68.868 0.207 0.000 0.924 315 T HN 0.372 nan 8.240 nan 0.000 0.456 316 L N 2.788 124.256 121.223 0.409 0.000 2.436 316 L HA 0.592 4.931 4.340 -0.001 0.000 0.265 316 L C 1.218 178.304 176.870 0.361 0.000 1.168 316 L CA -1.127 53.905 54.840 0.320 0.000 0.815 316 L CB 0.189 42.408 42.059 0.268 0.000 1.109 316 L HN 0.855 nan 8.230 nan 0.000 0.462 317 A N 1.957 124.909 122.820 0.219 0.000 2.327 317 A HA 0.235 4.554 4.320 -0.001 0.000 0.255 317 A C 0.004 177.682 177.584 0.156 0.000 1.099 317 A CA -0.541 51.631 52.037 0.225 0.000 0.801 317 A CB -0.010 19.040 19.000 0.084 0.000 1.062 317 A HN 0.776 nan 8.150 nan 0.000 0.496 318 N N 0.614 119.384 118.700 0.116 0.000 2.458 318 N HA 0.289 5.028 4.740 -0.001 0.000 0.258 318 N C 0.101 175.588 175.510 -0.038 0.000 1.219 318 N CA 0.597 53.642 53.050 -0.007 0.000 0.902 318 N CB 0.614 39.073 38.487 -0.047 0.000 1.076 318 N HN 0.713 nan 8.380 nan 0.000 0.455 319 S N -0.772 114.877 115.700 -0.086 0.000 2.677 319 S HA 0.819 5.288 4.470 -0.001 0.000 0.304 319 S C -0.259 174.273 174.600 -0.114 0.000 1.108 319 S CA -0.898 57.210 58.200 -0.154 0.000 0.944 319 S CB 1.710 64.725 63.200 -0.308 0.000 1.127 319 S HN 0.549 nan 8.310 nan 0.000 0.511 320 T N -1.286 113.234 114.554 -0.056 0.000 2.912 320 T HA 0.463 4.812 4.350 -0.001 0.000 0.299 320 T C 0.227 174.947 174.700 0.033 0.000 1.052 320 T CA -0.970 61.126 62.100 -0.006 0.000 0.996 320 T CB 1.209 70.097 68.868 0.033 0.000 1.070 320 T HN 0.449 nan 8.240 nan 0.000 0.465 321 N N 1.125 119.823 118.700 -0.004 0.000 2.364 321 N HA -0.130 4.610 4.740 -0.001 0.000 0.183 321 N C 1.528 177.042 175.510 0.006 0.000 1.022 321 N CA 1.038 54.086 53.050 -0.004 0.000 0.883 321 N CB -0.132 38.348 38.487 -0.011 0.000 0.965 321 N HN 0.818 nan 8.380 nan 0.000 0.438 322 E N 1.123 121.338 120.200 0.024 0.000 2.077 322 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 322 E C 1.691 178.302 176.600 0.019 0.000 0.989 322 E CA 0.772 57.181 56.400 0.016 0.000 0.800 322 E CB -0.533 29.184 29.700 0.029 0.000 0.746 322 E HN 0.359 nan 8.360 nan 0.000 0.452 323 F N 0.173 120.100 119.950 -0.038 0.000 2.126 323 F HA -0.166 4.360 4.527 -0.001 0.000 0.299 323 F C 1.924 177.700 175.800 -0.040 0.000 1.096 323 F CA 1.485 59.469 58.000 -0.026 0.000 1.255 323 F CB -0.453 38.538 39.000 -0.016 0.000 0.997 323 F HN -0.039 nan 8.300 nan 0.000 0.479 324 V N 0.943 120.719 119.914 -0.230 0.000 2.332 324 V HA -0.314 3.806 4.120 -0.001 0.000 0.248 324 V C 2.278 178.199 176.094 -0.289 0.000 1.055 324 V CA 2.386 64.510 62.300 -0.294 0.000 1.038 324 V CB -0.848 30.916 31.823 -0.098 0.000 0.651 324 V HN 0.387 nan 8.190 nan 0.000 0.450 325 E N -0.110 119.977 120.200 -0.189 0.000 2.110 325 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 325 E C 2.179 178.667 176.600 -0.187 0.000 0.988 325 E CA 1.397 57.706 56.400 -0.152 0.000 0.804 325 E CB -0.194 29.450 29.700 -0.095 0.000 0.745 325 E HN 0.568 nan 8.360 nan 0.000 0.458 326 I N 0.676 121.102 120.570 -0.239 0.000 2.315 326 I HA -0.220 3.949 4.170 -0.001 0.000 0.248 326 I C 2.308 178.255 176.117 -0.284 0.000 1.117 326 I CA 0.751 61.914 61.300 -0.229 0.000 1.404 326 I CB -0.177 37.702 38.000 -0.200 0.000 1.071 326 I HN 0.007 nan 8.210 nan 0.000 0.419 327 V N 0.793 120.441 119.914 -0.443 0.000 2.358 327 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 327 V C 2.615 178.556 176.094 -0.255 0.000 1.047 327 V CA 1.513 63.582 62.300 -0.385 0.000 1.035 327 V CB -0.685 30.836 31.823 -0.504 0.000 0.658 327 V HN 0.353 nan 8.190 nan 0.000 0.452 328 R N 0.844 121.205 120.500 -0.232 0.000 2.096 328 R HA -0.074 4.266 4.340 -0.001 0.000 0.235 328 R C 1.836 178.049 176.300 -0.146 0.000 1.127 328 R CA 1.264 57.259 56.100 -0.175 0.000 0.968 328 R CB -0.840 29.371 30.300 -0.149 0.000 0.861 328 R HN 0.557 nan 8.270 nan 0.000 0.440 329 N N 0.360 118.977 118.700 -0.139 0.000 2.392 329 N HA 0.051 4.791 4.740 -0.001 0.000 0.177 329 N C 0.513 175.963 175.510 -0.100 0.000 1.066 329 N CA 0.337 53.322 53.050 -0.108 0.000 0.895 329 N CB 0.055 38.487 38.487 -0.093 0.000 0.988 329 N HN 0.084 nan 8.380 nan 0.000 0.457 330 A N 1.125 123.875 122.820 -0.116 0.000 2.448 330 A HA 0.091 4.410 4.320 -0.001 0.000 0.239 330 A C 0.951 178.483 177.584 -0.088 0.000 1.080 330 A CA 0.140 52.119 52.037 -0.097 0.000 0.779 330 A CB 0.459 19.395 19.000 -0.108 0.000 1.026 330 A HN 0.234 nan 8.150 nan 0.000 0.499 331 E N -0.328 119.830 120.200 -0.070 0.000 2.372 331 E HA 0.082 4.432 4.350 -0.001 0.000 0.201 331 E C -0.249 176.316 176.600 -0.060 0.000 0.938 331 E CA 0.718 57.080 56.400 -0.063 0.000 0.944 331 E CB 0.229 29.899 29.700 -0.050 0.000 0.937 331 E HN 0.886 nan 8.360 nan 0.000 0.495 332 N N -1.255 117.412 118.700 -0.056 0.000 3.308 332 N HA 0.044 4.783 4.740 -0.001 0.000 0.276 332 N C -0.018 175.463 175.510 -0.048 0.000 1.533 332 N CA -0.664 52.357 53.050 -0.049 0.000 0.878 332 N CB 0.499 38.965 38.487 -0.035 0.000 1.566 332 N HN -0.103 nan 8.380 nan 0.000 0.546 333 L N 0.097 121.296 121.223 -0.040 0.000 2.093 333 L HA 0.052 4.392 4.340 -0.001 0.000 0.208 333 L C 1.070 177.927 176.870 -0.021 0.000 1.085 333 L CA 1.936 56.754 54.840 -0.037 0.000 0.755 333 L CB -0.910 41.132 42.059 -0.028 0.000 0.904 333 L HN 0.610 nan 8.230 nan 0.000 0.435 334 D N -0.391 120.000 120.400 -0.016 0.000 2.087 334 D HA -0.270 4.369 4.640 -0.001 0.000 0.192 334 D C 1.921 178.215 176.300 -0.010 0.000 0.993 334 D CA 1.786 55.781 54.000 -0.009 0.000 0.828 334 D CB -0.008 40.786 40.800 -0.009 0.000 0.968 334 D HN 0.556 nan 8.370 nan 0.000 0.448 335 E N 0.285 120.473 120.200 -0.020 0.000 2.110 335 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 335 E C 2.251 178.838 176.600 -0.022 0.000 0.988 335 E CA 0.359 56.745 56.400 -0.023 0.000 0.804 335 E CB -0.034 29.646 29.700 -0.034 0.000 0.745 335 E HN 0.036 nan 8.360 nan 0.000 0.458 336 L N 1.719 122.925 121.223 -0.029 0.000 2.012 336 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 336 L C 1.709 178.591 176.870 0.021 0.000 1.073 336 L CA 2.039 56.864 54.840 -0.026 0.000 0.748 336 L CB -0.584 41.446 42.059 -0.049 0.000 0.891 336 L HN 0.104 nan 8.230 nan 0.000 0.431 337 D N -0.942 119.478 120.400 0.034 0.000 2.097 337 D HA -0.140 4.500 4.640 -0.001 0.000 0.195 337 D C 2.121 178.446 176.300 0.042 0.000 0.989 337 D CA 1.610 55.652 54.000 0.069 0.000 0.827 337 D CB 0.096 40.933 40.800 0.063 0.000 0.966 337 D HN 0.403 nan 8.370 nan 0.000 0.456 338 S N 0.924 116.635 115.700 0.018 0.000 2.359 338 S HA -0.173 4.296 4.470 -0.001 0.000 0.222 338 S C 2.113 176.718 174.600 0.009 0.000 1.038 338 S CA 1.065 59.269 58.200 0.008 0.000 1.051 338 S CB -0.305 62.895 63.200 -0.002 0.000 0.944 338 S HN 0.276 nan 8.310 nan 0.000 0.433 339 M N 0.636 120.238 119.600 0.003 0.000 2.346 339 M HA -0.026 4.453 4.480 -0.001 0.000 0.263 339 M C 1.567 177.880 176.300 0.022 0.000 1.064 339 M CA 1.054 56.354 55.300 -0.001 0.000 1.083 339 M CB -0.487 32.099 32.600 -0.022 0.000 1.399 339 M HN 0.243 nan 8.290 nan 0.000 0.435 340 L N -0.556 120.696 121.223 0.047 0.000 2.492 340 L HA -0.008 4.331 4.340 -0.001 0.000 0.223 340 L C 0.687 177.587 176.870 0.050 0.000 1.132 340 L CA -0.050 54.842 54.840 0.086 0.000 0.850 340 L CB -0.179 41.970 42.059 0.151 0.000 0.966 340 L HN 0.106 nan 8.230 nan 0.000 0.454 341 E N 2.195 122.410 120.200 0.025 0.000 2.493 341 E HA 0.083 4.432 4.350 -0.001 0.000 0.255 341 E C -0.205 176.401 176.600 0.010 0.000 0.999 341 E CA 0.494 56.899 56.400 0.008 0.000 0.934 341 E CB 0.646 30.347 29.700 0.002 0.000 0.940 341 E HN 0.117 nan 8.360 nan 0.000 0.473 350 S N 0.487 116.189 115.700 0.003 0.000 2.971 350 S HA -0.078 4.391 4.470 -0.001 0.000 0.856 350 S C -0.310 174.298 174.600 0.013 0.000 0.951 350 S CA -0.362 57.839 58.200 0.001 0.000 1.380 350 S CB -0.268 62.934 63.200 0.004 0.000 0.986 350 S HN 1.092 nan 8.310 nan 0.000 0.235 351 V N 6.112 126.034 119.914 0.013 0.000 2.470 351 V HA 0.506 4.626 4.120 -0.001 0.000 0.276 351 V C 1.215 177.370 176.094 0.101 0.000 1.040 351 V CA 0.772 63.106 62.300 0.057 0.000 1.008 351 V CB 0.422 32.270 31.823 0.041 0.000 0.990 351 V HN 1.027 nan 8.190 nan 0.000 0.477 352 T N 1.008 115.574 114.554 0.020 0.000 2.927 352 T HA 0.205 4.554 4.350 -0.001 0.000 0.286 352 T C 1.274 175.755 174.700 -0.365 0.000 1.040 352 T CA -0.114 61.836 62.100 -0.250 0.000 1.010 352 T CB 1.357 70.144 68.868 -0.136 0.000 1.177 352 T HN 0.798 nan 8.240 nan 0.000 0.546 353 C N -1.745 116.989 119.300 -0.944 0.000 2.434 353 C HA 0.151 4.611 4.460 -0.001 0.000 0.298 353 C C 1.273 176.014 174.990 -0.414 0.000 1.495 353 C CA -0.517 58.062 59.018 -0.733 0.000 1.756 353 C CB -2.295 24.864 27.740 -0.969 0.000 1.647 353 C HN 0.803 nan 8.230 nan 0.000 0.579 354 W N 0.579 121.817 121.300 -0.103 0.000 2.846 354 W HA 0.308 4.967 4.660 -0.001 0.000 0.391 354 W C 1.941 178.460 176.519 0.000 0.000 1.011 354 W CA -0.205 57.130 57.345 -0.018 0.000 1.832 354 W CB -0.046 29.391 29.460 -0.039 0.000 1.151 354 W HN 0.076 nan 8.180 nan 0.000 0.582 355 S N 0.692 116.502 115.700 0.182 0.000 2.527 355 S HA -0.014 4.456 4.470 -0.001 0.000 0.222 355 S C 0.674 175.344 174.600 0.117 0.000 0.985 355 S CA 0.450 58.731 58.200 0.135 0.000 0.921 355 S CB -0.152 63.112 63.200 0.108 0.000 0.772 355 S HN 0.236 nan 8.310 nan 0.000 0.529 356 Q N 0.026 119.905 119.800 0.133 0.000 2.482 356 Q HA 0.426 4.766 4.340 -0.001 0.000 0.286 356 Q C -3.574 172.502 176.000 0.127 0.000 1.007 356 Q CA -2.409 53.449 55.803 0.091 0.000 0.801 356 Q CB 0.611 29.411 28.738 0.103 0.000 1.455 356 Q HN -0.083 nan 8.270 nan 0.000 0.398 357 P HA 0.339 nan 4.420 nan 0.000 0.272 357 P C -0.596 176.835 177.300 0.219 0.000 1.230 357 P CA -0.195 63.004 63.100 0.165 0.000 0.788 357 P CB 0.858 32.624 31.700 0.112 0.000 0.949 358 L N 1.085 122.481 121.223 0.289 0.000 2.409 358 L HA 0.489 4.828 4.340 -0.001 0.000 0.262 358 L C -0.575 176.515 176.870 0.366 0.000 0.992 358 L CA -0.933 54.074 54.840 0.278 0.000 0.817 358 L CB 2.119 44.348 42.059 0.283 0.000 1.350 358 L HN 0.277 nan 8.230 nan 0.000 0.411 359 F N 2.533 122.523 119.950 0.066 0.000 2.426 359 F HA 0.601 5.127 4.527 -0.001 0.000 0.348 359 F C -1.204 174.533 175.800 -0.105 0.000 1.124 359 F CA -0.972 57.114 58.000 0.142 0.000 1.008 359 F CB 0.876 40.058 39.000 0.303 0.000 1.139 359 F HN 0.072 nan 8.300 nan 0.000 0.452 360 F N 5.589 125.285 119.950 -0.423 0.000 2.444 360 F HA 0.512 5.039 4.527 -0.001 0.000 0.342 360 F C -0.389 174.927 175.800 -0.808 0.000 1.121 360 F CA -1.049 56.626 58.000 -0.541 0.000 0.997 360 F CB 1.722 40.402 39.000 -0.534 0.000 1.130 360 F HN 0.076 nan 8.300 nan 0.000 0.454 361 V N 3.845 123.482 119.914 -0.462 0.000 2.334 361 V HA 0.117 4.237 4.120 -0.001 0.000 0.267 361 V C 0.269 176.222 176.094 -0.236 0.000 1.040 361 V CA -0.823 61.263 62.300 -0.358 0.000 0.866 361 V CB 0.879 32.618 31.823 -0.139 0.000 1.019 361 V HN 0.765 nan 8.190 nan 0.000 0.468 362 N N 5.129 123.649 118.700 -0.300 0.000 2.549 362 N HA 0.121 4.860 4.740 -0.001 0.000 0.267 362 N C 1.137 176.674 175.510 0.045 0.000 1.182 362 N CA -0.382 52.562 53.050 -0.178 0.000 1.019 362 N CB 0.415 38.772 38.487 -0.217 0.000 1.380 362 N HN 0.686 nan 8.380 nan 0.000 0.505 363 L N 1.823 123.143 121.223 0.162 0.000 2.187 363 L HA -0.202 4.137 4.340 -0.001 0.000 0.213 363 L C 2.568 179.546 176.870 0.180 0.000 1.100 363 L CA 0.631 55.544 54.840 0.122 0.000 0.765 363 L CB -0.563 41.634 42.059 0.231 0.000 0.904 363 L HN 0.547 nan 8.230 nan 0.000 0.437 364 S N 0.472 116.373 115.700 0.336 0.000 2.377 364 S HA -0.340 4.130 4.470 -0.001 0.000 0.224 364 S C 2.125 176.823 174.600 0.164 0.000 1.042 364 S CA 2.322 60.701 58.200 0.298 0.000 1.086 364 S CB -0.165 63.328 63.200 0.489 0.000 0.995 364 S HN 0.426 nan 8.310 nan 0.000 0.428 365 K N 0.253 120.746 120.400 0.155 0.000 2.032 365 K HA -0.098 4.221 4.320 -0.001 0.000 0.209 365 K C 2.212 178.843 176.600 0.051 0.000 1.048 365 K CA 1.935 58.274 56.287 0.085 0.000 0.927 365 K CB -0.442 32.099 32.500 0.068 0.000 0.712 365 K HN 0.580 nan 8.250 nan 0.000 0.441 366 S N -1.118 114.596 115.700 0.024 0.000 2.496 366 S HA -0.057 4.413 4.470 -0.001 0.000 0.224 366 S C 1.626 176.235 174.600 0.015 0.000 0.996 366 S CA 1.056 59.257 58.200 0.001 0.000 0.927 366 S CB 0.208 63.357 63.200 -0.085 0.000 0.774 366 S HN 0.563 nan 8.310 nan 0.000 0.524 367 T N -4.622 109.949 114.554 0.030 0.000 3.046 367 T HA 0.543 4.893 4.350 -0.001 0.000 0.270 367 T C 1.500 176.237 174.700 0.062 0.000 0.920 367 T CA 0.806 62.938 62.100 0.053 0.000 0.874 367 T CB 0.200 69.106 68.868 0.063 0.000 1.214 367 T HN 1.081 nan 8.240 nan 0.000 0.536 368 G N 1.361 110.204 108.800 0.072 0.000 2.284 368 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.247 368 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.247 368 G C 0.104 175.059 174.900 0.091 0.000 1.012 368 G CA -0.018 45.120 45.100 0.064 0.000 0.618 368 G HN 0.897 nan 8.290 nan 0.000 0.521 369 V N 1.992 121.982 119.914 0.128 0.000 2.479 369 V HA 0.476 4.595 4.120 -0.001 0.000 0.281 369 V C 1.373 177.636 176.094 0.281 0.000 1.031 369 V CA 0.480 62.890 62.300 0.183 0.000 1.038 369 V CB 1.188 33.129 31.823 0.197 0.000 0.981 369 V HN 1.208 nan 8.190 nan 0.000 0.478 370 A N 4.778 127.758 122.820 0.266 0.000 3.046 370 A HA 0.473 4.792 4.320 -0.001 0.000 0.259 370 A C 0.659 178.600 177.584 0.595 0.000 1.843 370 A CA 0.095 52.342 52.037 0.350 0.000 1.451 370 A CB -0.606 18.475 19.000 0.135 0.000 1.025 370 A HN 0.740 nan 8.150 nan 0.000 0.625 371 S N -0.442 115.627 115.700 0.616 0.000 2.618 371 S HA 0.721 5.191 4.470 -0.001 0.000 0.277 371 S C -0.830 174.189 174.600 0.699 0.000 1.138 371 S CA -0.494 58.050 58.200 0.574 0.000 0.844 371 S CB 1.321 64.824 63.200 0.505 0.000 1.127 371 S HN 0.422 nan 8.310 nan 0.000 0.474 372 F N 1.756 121.924 119.950 0.363 0.000 2.482 372 F HA 0.490 5.017 4.527 -0.001 0.000 0.331 372 F C 0.026 175.929 175.800 0.171 0.000 1.115 372 F CA -0.962 57.211 58.000 0.289 0.000 0.955 372 F CB 1.599 40.877 39.000 0.462 0.000 1.136 372 F HN 0.269 nan 8.300 nan 0.000 0.452 373 M N 6.790 126.539 119.600 0.248 0.000 2.047 373 M HA 0.370 4.849 4.480 -0.001 0.000 0.342 373 M C -1.291 174.993 176.300 -0.028 0.000 1.058 373 M CA -0.305 55.047 55.300 0.088 0.000 0.991 373 M CB 0.975 33.640 32.600 0.108 0.000 1.474 373 M HN 0.656 nan 8.290 nan 0.000 0.419 374 M N 5.169 124.704 119.600 -0.109 0.000 2.268 374 M HA 0.449 4.928 4.480 -0.001 0.000 0.344 374 M C -1.965 174.254 176.300 -0.135 0.000 1.106 374 M CA -0.803 54.283 55.300 -0.357 0.000 1.010 374 M CB 1.182 33.403 32.600 -0.631 0.000 1.649 374 M HN 0.658 nan 8.290 nan 0.000 0.443 375 L N 5.963 127.206 121.223 0.033 0.000 2.334 375 L HA 0.655 4.994 4.340 -0.001 0.000 0.275 375 L C -0.275 176.709 176.870 0.191 0.000 1.036 375 L CA -0.100 54.880 54.840 0.232 0.000 0.807 375 L CB 1.894 44.265 42.059 0.519 0.000 1.231 375 L HN 0.804 nan 8.230 nan 0.000 0.438 376 M N 1.206 120.924 119.600 0.196 0.000 2.631 376 M HA 0.696 5.175 4.480 -0.001 0.000 0.288 376 M C -1.048 175.368 176.300 0.192 0.000 1.260 376 M CA -0.869 54.548 55.300 0.195 0.000 0.842 376 M CB 2.226 34.938 32.600 0.186 0.000 1.743 376 M HN 0.506 nan 8.290 nan 0.000 0.461 377 Q N 1.685 121.592 119.800 0.178 0.000 2.852 377 Q HA 0.890 5.230 4.340 -0.001 0.000 0.262 377 Q C -1.336 174.743 176.000 0.133 0.000 1.051 377 Q CA -0.880 55.015 55.803 0.153 0.000 0.894 377 Q CB 1.549 30.380 28.738 0.155 0.000 1.381 377 Q HN 0.928 nan 8.270 nan 0.000 0.501 378 A N 1.137 124.028 122.820 0.118 0.000 2.303 378 A HA 0.540 4.860 4.320 -0.001 0.000 0.317 378 A C -1.915 175.726 177.584 0.095 0.000 1.149 378 A CA -1.460 50.641 52.037 0.105 0.000 0.822 378 A CB 0.534 19.597 19.000 0.104 0.000 1.131 378 A HN 0.697 nan 8.150 nan 0.000 0.493 379 P HA 0.001 nan 4.420 nan 0.000 0.249 379 P C 1.164 178.525 177.300 0.101 0.000 1.229 379 P CA 0.024 63.172 63.100 0.080 0.000 0.788 379 P CB 0.212 31.944 31.700 0.052 0.000 1.072 380 L N 1.105 122.398 121.223 0.117 0.000 2.012 380 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 380 L C 2.206 179.155 176.870 0.130 0.000 1.073 380 L CA 2.296 57.219 54.840 0.137 0.000 0.748 380 L CB -1.788 40.376 42.059 0.175 0.000 0.891 380 L HN -0.082 nan 8.230 nan 0.000 0.431 381 T N 0.195 114.825 114.554 0.126 0.000 2.685 381 T HA -0.227 4.122 4.350 -0.001 0.000 0.268 381 T C 1.607 176.354 174.700 0.079 0.000 1.034 381 T CA 2.025 64.190 62.100 0.109 0.000 1.149 381 T CB -0.463 68.478 68.868 0.122 0.000 0.860 381 T HN 0.488 nan 8.240 nan 0.000 0.449 382 N N 0.223 118.976 118.700 0.088 0.000 2.106 382 N HA -0.098 4.642 4.740 -0.001 0.000 0.188 382 N C 1.736 177.273 175.510 0.045 0.000 1.029 382 N CA 1.114 54.205 53.050 0.069 0.000 0.848 382 N CB -0.465 38.071 38.487 0.080 0.000 1.007 382 N HN 0.519 nan 8.380 nan 0.000 0.423 383 H N 0.789 119.849 119.070 -0.017 0.000 2.321 383 H HA -0.020 4.535 4.556 -0.001 0.000 0.300 383 H C 1.569 176.843 175.328 -0.091 0.000 1.087 383 H CA 1.148 57.163 56.048 -0.054 0.000 1.319 383 H CB 0.042 29.761 29.762 -0.072 0.000 1.379 383 H HN 0.069 nan 8.280 nan 0.000 0.501 384 I N 1.615 122.051 120.570 -0.223 0.000 2.315 384 I HA -0.196 3.973 4.170 -0.001 0.000 0.248 384 I C 2.232 178.235 176.117 -0.190 0.000 1.117 384 I CA 1.117 62.260 61.300 -0.261 0.000 1.404 384 I CB -1.014 36.957 38.000 -0.048 0.000 1.071 384 I HN 0.378 nan 8.210 nan 0.000 0.419 385 E N 0.639 120.772 120.200 -0.112 0.000 2.208 385 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 385 E C 2.207 178.738 176.600 -0.115 0.000 0.988 385 E CA 1.356 57.699 56.400 -0.096 0.000 0.828 385 E CB -0.027 29.644 29.700 -0.049 0.000 0.763 385 E HN 0.524 nan 8.360 nan 0.000 0.478 386 S N 1.502 117.118 115.700 -0.140 0.000 2.423 386 S HA -0.114 4.356 4.470 -0.001 0.000 0.231 386 S C 1.767 176.281 174.600 -0.143 0.000 1.014 386 S CA 0.783 58.909 58.200 -0.124 0.000 0.965 386 S CB -0.496 62.636 63.200 -0.114 0.000 0.785 386 S HN 0.420 nan 8.310 nan 0.000 0.495 387 I N -0.688 119.758 120.570 -0.206 0.000 3.531 387 I HA 0.454 4.623 4.170 -0.001 0.000 0.341 387 I C 1.064 177.110 176.117 -0.118 0.000 1.550 387 I CA -0.913 60.291 61.300 -0.161 0.000 1.087 387 I CB 0.148 38.023 38.000 -0.209 0.000 1.408 387 I HN 0.052 nan 8.210 nan 0.000 0.484 388 R N -0.550 119.885 120.500 -0.109 0.000 2.357 388 R HA 0.066 4.406 4.340 -0.001 0.000 0.202 388 R C 1.015 177.274 176.300 -0.068 0.000 1.047 388 R CA 0.720 56.765 56.100 -0.092 0.000 1.034 388 R CB -0.357 29.878 30.300 -0.107 0.000 0.875 388 R HN 0.369 nan 8.270 nan 0.000 0.473 389 E N 0.889 121.056 120.200 -0.055 0.000 2.162 389 E HA -0.031 4.318 4.350 -0.001 0.000 0.193 389 E C 0.112 176.703 176.600 -0.015 0.000 0.953 389 E CA 0.437 56.815 56.400 -0.036 0.000 0.849 389 E CB -0.228 29.451 29.700 -0.034 0.000 0.810 389 E HN 0.232 nan 8.360 nan 0.000 0.470 390 D N 2.376 122.771 120.400 -0.009 0.000 2.606 390 D HA -0.066 4.573 4.640 -0.001 0.000 0.234 390 D C 0.870 177.200 176.300 0.049 0.000 1.140 390 D CA 0.104 54.115 54.000 0.019 0.000 1.182 390 D CB 0.189 41.001 40.800 0.019 0.000 1.130 390 D HN -0.137 nan 8.370 nan 0.000 0.485 391 K N 1.683 122.110 120.400 0.044 0.000 2.074 391 K HA -0.195 4.125 4.320 -0.001 0.000 0.209 391 K C 1.667 178.350 176.600 0.137 0.000 1.048 391 K CA 0.965 57.295 56.287 0.071 0.000 0.926 391 K CB 0.055 32.573 32.500 0.031 0.000 0.713 391 K HN 0.315 nan 8.250 nan 0.000 0.444 392 E N 0.574 120.842 120.200 0.113 0.000 2.031 392 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 392 E C 2.100 178.836 176.600 0.227 0.000 0.994 392 E CA 1.235 57.729 56.400 0.157 0.000 0.800 392 E CB -0.125 29.637 29.700 0.102 0.000 0.752 392 E HN 0.223 nan 8.360 nan 0.000 0.447 393 R N 0.039 120.639 120.500 0.167 0.000 2.096 393 R HA -0.111 4.228 4.340 -0.001 0.000 0.235 393 R C 2.246 178.685 176.300 0.232 0.000 1.127 393 R CA 1.129 57.332 56.100 0.173 0.000 0.968 393 R CB -0.273 30.096 30.300 0.114 0.000 0.861 393 R HN 0.189 nan 8.270 nan 0.000 0.440 394 L N -0.277 121.092 121.223 0.242 0.000 1.994 394 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 394 L C 2.391 179.562 176.870 0.503 0.000 1.071 394 L CA 1.463 56.517 54.840 0.357 0.000 0.745 394 L CB -0.636 41.592 42.059 0.281 0.000 0.892 394 L HN 0.228 nan 8.230 nan 0.000 0.431 395 F N 0.608 120.738 119.950 0.299 0.000 2.126 395 F HA -0.288 4.238 4.527 -0.001 0.000 0.299 395 F C 2.866 178.805 175.800 0.231 0.000 1.096 395 F CA 1.740 59.907 58.000 0.278 0.000 1.255 395 F CB -0.383 38.712 39.000 0.158 0.000 0.997 395 F HN 0.051 nan 8.300 nan 0.000 0.479 396 S N -0.413 115.371 115.700 0.140 0.000 2.399 396 S HA -0.250 4.219 4.470 -0.001 0.000 0.231 396 S C 2.074 176.638 174.600 -0.061 0.000 1.022 396 S CA 1.288 59.487 58.200 -0.002 0.000 0.983 396 S CB -1.074 62.209 63.200 0.138 0.000 0.803 396 S HN 0.498 nan 8.310 nan 0.000 0.480 397 F N 0.914 120.802 119.950 -0.104 0.000 2.128 397 F HA 0.222 4.748 4.527 -0.001 0.000 0.295 397 F C 1.164 176.696 175.800 -0.446 0.000 1.100 397 F CA 1.178 59.013 58.000 -0.275 0.000 1.260 397 F CB -0.156 38.629 39.000 -0.358 0.000 1.009 397 F HN 0.256 nan 8.300 nan 0.000 0.476 398 F N -0.097 119.906 119.950 0.089 0.000 2.692 398 F HA 0.139 4.665 4.527 -0.001 0.000 0.303 398 F C 2.126 177.746 175.800 -0.301 0.000 1.114 398 F CA 0.006 57.978 58.000 -0.047 0.000 1.361 398 F CB -0.565 38.575 39.000 0.233 0.000 1.063 398 F HN 0.053 nan 8.300 nan 0.000 0.550 399 Q N 1.093 120.694 119.800 -0.332 0.000 2.046 399 Q HA -0.138 4.201 4.340 -0.001 0.000 0.200 399 Q C -0.620 175.241 176.000 -0.232 0.000 0.975 399 Q CA 1.635 57.165 55.803 -0.455 0.000 0.836 399 Q CB -0.919 27.440 28.738 -0.631 0.000 0.896 399 Q HN 0.226 nan 8.270 nan 0.000 0.428 400 P HA -0.178 nan 4.420 nan 0.000 0.214 400 P C 1.538 178.814 177.300 -0.040 0.000 1.163 400 P CA 2.164 65.253 63.100 -0.019 0.000 0.889 400 P CB -0.272 31.485 31.700 0.096 0.000 0.790 401 V N -3.413 116.284 119.914 -0.363 0.000 2.548 401 V HA -0.166 3.954 4.120 -0.001 0.000 0.249 401 V C 2.199 178.102 176.094 -0.319 0.000 1.055 401 V CA 1.439 63.445 62.300 -0.489 0.000 1.065 401 V CB -1.797 29.633 31.823 -0.655 0.000 0.681 401 V HN -0.001 nan 8.190 nan 0.000 0.462 402 L N 0.605 121.665 121.223 -0.272 0.000 1.989 402 L HA -0.150 4.190 4.340 -0.001 0.000 0.211 402 L C 2.892 179.666 176.870 -0.160 0.000 1.071 402 L CA 2.225 56.906 54.840 -0.266 0.000 0.749 402 L CB -0.868 41.060 42.059 -0.218 0.000 0.890 402 L HN 0.405 nan 8.230 nan 0.000 0.431 403 N N 0.246 118.895 118.700 -0.085 0.000 2.006 403 N HA -0.241 4.498 4.740 -0.001 0.000 0.196 403 N C 1.756 177.258 175.510 -0.015 0.000 1.057 403 N CA 1.287 54.325 53.050 -0.020 0.000 0.853 403 N CB -0.467 38.031 38.487 0.019 0.000 1.051 403 N HN 0.051 nan 8.380 nan 0.000 0.423 404 K N 1.272 121.699 120.400 0.045 0.000 2.097 404 K HA -0.116 4.204 4.320 -0.001 0.000 0.214 404 K C 2.024 178.625 176.600 0.002 0.000 1.052 404 K CA 1.155 57.497 56.287 0.092 0.000 0.932 404 K CB -0.674 32.009 32.500 0.305 0.000 0.716 404 K HN 0.258 nan 8.250 nan 0.000 0.455 405 I N -0.230 120.276 120.570 -0.108 0.000 2.099 405 I HA -0.337 3.832 4.170 -0.001 0.000 0.239 405 I C 2.243 178.277 176.117 -0.138 0.000 1.066 405 I CA 1.381 62.560 61.300 -0.201 0.000 1.324 405 I CB -0.326 37.418 38.000 -0.427 0.000 1.037 405 I HN 0.218 nan 8.210 nan 0.000 0.401 406 M N 0.411 119.938 119.600 -0.120 0.000 2.144 406 M HA -0.252 4.227 4.480 -0.001 0.000 0.260 406 M C 2.241 178.540 176.300 -0.003 0.000 1.067 406 M CA 1.739 57.006 55.300 -0.056 0.000 1.095 406 M CB -1.220 31.355 32.600 -0.042 0.000 1.365 406 M HN 0.226 nan 8.290 nan 0.000 0.406 407 K N 0.126 120.525 120.400 -0.002 0.000 1.965 407 K HA -0.157 4.162 4.320 -0.001 0.000 0.214 407 K C 2.063 178.671 176.600 0.013 0.000 1.046 407 K CA 2.104 58.401 56.287 0.016 0.000 0.944 407 K CB -0.181 32.332 32.500 0.023 0.000 0.726 407 K HN 0.338 nan 8.250 nan 0.000 0.441 408 C N 1.046 120.349 119.300 0.004 0.000 2.401 408 C HA -0.080 4.379 4.460 -0.001 0.000 0.286 408 C C 2.058 177.049 174.990 0.001 0.000 1.332 408 C CA 0.514 59.534 59.018 0.003 0.000 1.795 408 C CB -0.910 26.829 27.740 -0.002 0.000 1.922 408 C HN 0.480 nan 8.230 nan 0.000 0.520 409 L N 0.283 121.505 121.223 -0.001 0.000 2.653 409 L HA 0.137 4.477 4.340 -0.001 0.000 0.231 409 L C -0.440 176.475 176.870 0.076 0.000 1.153 409 L CA 0.296 55.155 54.840 0.030 0.000 0.933 409 L CB -0.435 41.630 42.059 0.011 0.000 1.175 409 L HN 0.310 nan 8.230 nan 0.000 0.473 410 D N 0.984 121.415 120.400 0.053 0.000 3.515 410 D HA -0.142 4.497 4.640 -0.001 0.000 0.247 410 D C -0.084 176.256 176.300 0.066 0.000 1.084 410 D CA 0.905 54.937 54.000 0.052 0.000 1.030 410 D CB -0.786 40.043 40.800 0.048 0.000 0.946 410 D HN 0.364 nan 8.370 nan 0.000 0.420 411 S N -0.360 115.374 115.700 0.057 0.000 2.643 411 S HA 0.428 4.897 4.470 -0.001 0.000 0.266 411 S C -1.038 173.590 174.600 0.046 0.000 1.130 411 S CA -0.699 57.537 58.200 0.060 0.000 0.817 411 S CB 1.531 64.793 63.200 0.103 0.000 1.107 411 S HN 0.078 nan 8.310 nan 0.000 0.471 412 E N 0.939 121.167 120.200 0.047 0.000 2.700 412 E HA 0.488 4.837 4.350 -0.001 0.000 0.253 412 E C -0.819 175.812 176.600 0.053 0.000 1.175 412 E CA -0.548 55.879 56.400 0.045 0.000 1.010 412 E CB 0.279 30.005 29.700 0.043 0.000 1.284 412 E HN 0.571 nan 8.360 nan 0.000 0.557 413 D N -0.129 120.307 120.400 0.060 0.000 2.368 413 D HA 0.082 4.722 4.640 -0.001 0.000 0.240 413 D C -0.352 176.017 176.300 0.114 0.000 1.169 413 D CA -0.133 53.914 54.000 0.077 0.000 0.906 413 D CB 0.531 41.380 40.800 0.082 0.000 1.187 413 D HN -0.011 nan 8.370 nan 0.000 0.435 414 V N 1.820 121.829 119.914 0.158 0.000 2.843 414 V HA 0.093 4.213 4.120 -0.001 0.000 0.305 414 V C 0.789 177.042 176.094 0.265 0.000 1.065 414 V CA -0.140 62.313 62.300 0.254 0.000 1.116 414 V CB 0.528 32.571 31.823 0.367 0.000 0.968 414 V HN 0.318 nan 8.190 nan 0.000 0.487 415 I N 2.888 123.577 120.570 0.199 0.000 2.339 415 I HA 0.239 4.408 4.170 -0.001 0.000 0.290 415 I C -0.004 176.077 176.117 -0.060 0.000 0.994 415 I CA -0.458 60.890 61.300 0.080 0.000 1.191 415 I CB 1.565 39.600 38.000 0.058 0.000 1.343 415 I HN 0.582 nan 8.210 nan 0.000 0.458 416 D N 6.091 126.333 120.400 -0.263 0.000 2.441 416 D HA 0.108 4.748 4.640 -0.001 0.000 0.243 416 D C 0.756 176.895 176.300 -0.269 0.000 1.257 416 D CA 0.144 53.826 54.000 -0.530 0.000 1.027 416 D CB 0.651 40.996 40.800 -0.759 0.000 1.084 416 D HN 0.727 nan 8.370 nan 0.000 0.514 417 G N 3.205 111.883 108.800 -0.202 0.000 3.936 417 G HA2 0.061 4.020 3.960 -0.001 0.000 0.296 417 G HA3 0.061 4.020 3.960 -0.001 0.000 0.296 417 G C 1.304 176.117 174.900 -0.146 0.000 1.121 417 G CA -0.258 44.762 45.100 -0.133 0.000 0.899 417 G HN 0.402 nan 8.290 nan 0.000 0.542 418 M N -0.337 119.161 119.600 -0.170 0.000 2.200 418 M HA 0.095 4.574 4.480 -0.001 0.000 0.265 418 M C 1.272 177.533 176.300 -0.065 0.000 1.066 418 M CA 1.096 56.316 55.300 -0.134 0.000 1.127 418 M CB 0.156 32.677 32.600 -0.131 0.000 1.379 418 M HN 0.018 nan 8.290 nan 0.000 0.420 419 R N 0.945 121.410 120.500 -0.059 0.000 2.937 419 R HA 0.322 4.661 4.340 -0.001 0.000 0.264 419 R C -2.117 174.174 176.300 -0.016 0.000 1.334 419 R CA -1.420 54.666 56.100 -0.024 0.000 1.516 419 R CB -0.254 30.030 30.300 -0.026 0.000 1.187 419 R HN 0.131 nan 8.270 nan 0.000 0.609 428 N N 0.434 119.125 118.700 -0.015 0.000 2.250 428 N HA 0.121 4.861 4.740 -0.001 0.000 0.190 428 N C -0.310 175.202 175.510 0.003 0.000 1.116 428 N CA 0.237 53.278 53.050 -0.015 0.000 0.881 428 N CB 0.268 38.751 38.487 -0.005 0.000 1.006 428 N HN 0.493 nan 8.380 nan 0.000 0.491 429 K N 2.775 123.184 120.400 0.014 0.000 2.234 429 K HA 0.327 4.647 4.320 -0.001 0.000 0.277 429 K C -2.416 174.215 176.600 0.052 0.000 1.038 429 K CA -1.723 54.587 56.287 0.037 0.000 0.888 429 K CB 1.596 34.121 32.500 0.042 0.000 1.091 429 K HN 0.134 nan 8.250 nan 0.000 0.467 430 P HA -0.013 nan 4.420 nan 0.000 0.267 430 P C -0.615 176.812 177.300 0.211 0.000 1.205 430 P CA -0.143 63.026 63.100 0.115 0.000 0.765 430 P CB 0.736 32.476 31.700 0.067 0.000 0.828 431 V N 5.510 125.589 119.914 0.275 0.000 2.376 431 V HA 0.149 4.269 4.120 -0.001 0.000 0.287 431 V C 0.364 176.608 176.094 0.250 0.000 1.015 431 V CA -0.850 61.577 62.300 0.212 0.000 0.834 431 V CB 1.357 33.232 31.823 0.087 0.000 1.001 431 V HN 0.433 nan 8.190 nan 0.000 0.428 432 L N 6.526 127.812 121.223 0.104 0.000 2.319 432 L HA 0.458 4.797 4.340 -0.001 0.000 0.280 432 L C 1.240 177.921 176.870 -0.314 0.000 1.099 432 L CA 0.707 55.365 54.840 -0.302 0.000 0.828 432 L CB 0.596 42.499 42.059 -0.259 0.000 1.150 432 L HN 0.479 nan 8.230 nan 0.000 0.442 433 R N 2.898 123.114 120.500 -0.473 0.000 2.142 433 R HA 0.270 4.610 4.340 -0.001 0.000 0.204 433 R C 0.190 176.260 176.300 -0.383 0.000 1.059 433 R CA 0.393 56.161 56.100 -0.553 0.000 1.055 433 R CB -0.106 29.380 30.300 -1.356 0.000 0.976 433 R HN 0.765 nan 8.270 nan 0.000 0.483 434 N N -0.323 118.162 118.700 -0.358 0.000 2.455 434 N HA 0.463 5.202 4.740 -0.001 0.000 0.278 434 N C -1.486 173.901 175.510 -0.205 0.000 1.291 434 N CA -0.524 52.410 53.050 -0.193 0.000 0.780 434 N CB 2.192 40.630 38.487 -0.081 0.000 1.520 434 N HN -0.177 nan 8.380 nan 0.000 0.486 435 I N 2.676 123.143 120.570 -0.172 0.000 2.529 435 I HA 0.364 4.533 4.170 -0.001 0.000 0.284 435 I C -0.931 175.039 176.117 -0.245 0.000 1.088 435 I CA -0.445 60.702 61.300 -0.256 0.000 1.062 435 I CB 1.821 39.723 38.000 -0.164 0.000 1.218 435 I HN 0.377 nan 8.210 nan 0.000 0.442 436 I N 6.461 126.838 120.570 -0.322 0.000 2.412 436 I HA 0.559 4.728 4.170 -0.001 0.000 0.296 436 I C -0.451 175.497 176.117 -0.281 0.000 0.987 436 I CA -0.974 60.178 61.300 -0.247 0.000 1.180 436 I CB 2.009 39.874 38.000 -0.225 0.000 1.340 436 I HN 0.153 nan 8.210 nan 0.000 0.455 437 V N 3.919 123.708 119.914 -0.210 0.000 2.735 437 V HA 0.370 4.489 4.120 -0.001 0.000 0.310 437 V C 0.217 176.205 176.094 -0.177 0.000 1.061 437 V CA -0.734 61.448 62.300 -0.196 0.000 0.913 437 V CB 2.017 33.740 31.823 -0.165 0.000 1.005 437 V HN 0.933 nan 8.190 nan 0.000 0.428 438 S N 2.107 117.717 115.700 -0.151 0.000 2.606 438 S HA 0.247 4.716 4.470 -0.001 0.000 0.257 438 S C 0.309 174.720 174.600 -0.314 0.000 1.327 438 S CA 0.086 58.142 58.200 -0.240 0.000 0.984 438 S CB 0.520 63.703 63.200 -0.029 0.000 0.941 438 S HN 0.882 nan 8.310 nan 0.000 0.576 439 N N -1.378 116.980 118.700 -0.571 0.000 2.381 439 N HA 0.222 4.961 4.740 -0.001 0.000 0.257 439 N C -0.153 175.176 175.510 -0.302 0.000 1.409 439 N CA -0.536 52.295 53.050 -0.365 0.000 0.836 439 N CB -0.233 38.059 38.487 -0.324 0.000 1.384 439 N HN 0.748 nan 8.380 nan 0.000 0.490 440 W N 0.030 121.351 121.300 0.035 0.000 2.350 440 W HA -0.130 4.530 4.660 -0.001 0.000 0.289 440 W C 2.351 178.904 176.519 0.056 0.000 1.215 440 W CA 1.567 58.948 57.345 0.060 0.000 1.236 440 W CB -0.435 29.076 29.460 0.086 0.000 1.130 440 W HN 0.176 nan 8.180 nan 0.000 0.541 441 T N -1.093 113.595 114.554 0.223 0.000 2.812 441 T HA -0.098 4.251 4.350 -0.001 0.000 0.264 441 T C 1.611 176.353 174.700 0.070 0.000 1.042 441 T CA 0.976 63.165 62.100 0.147 0.000 1.140 441 T CB -0.419 68.516 68.868 0.111 0.000 0.870 441 T HN 0.157 nan 8.240 nan 0.000 0.445 442 R N 1.333 121.847 120.500 0.023 0.000 2.299 442 R HA 0.187 4.527 4.340 -0.001 0.000 0.197 442 R C 0.360 176.635 176.300 -0.042 0.000 0.971 442 R CA 0.165 56.252 56.100 -0.020 0.000 1.030 442 R CB -0.019 30.256 30.300 -0.043 0.000 0.932 442 R HN 0.390 nan 8.270 nan 0.000 0.477 443 D N 1.749 122.139 120.400 -0.016 0.000 2.336 443 D HA 0.037 4.677 4.640 -0.001 0.000 0.249 443 D C -1.433 174.829 176.300 -0.063 0.000 1.213 443 D CA -2.288 51.697 54.000 -0.026 0.000 0.870 443 D CB 1.478 42.308 40.800 0.051 0.000 1.076 443 D HN -0.034 nan 8.370 nan 0.000 0.483 444 P HA -0.163 nan 4.420 nan 0.000 0.223 444 P C 0.612 177.671 177.300 -0.402 0.000 1.144 444 P CA 1.055 63.925 63.100 -0.382 0.000 0.783 444 P CB -0.046 31.296 31.700 -0.597 0.000 0.771 445 Y N -0.341 119.998 120.300 0.065 0.000 2.468 445 Y HA 0.098 4.648 4.550 -0.001 0.000 0.268 445 Y C 2.268 178.234 175.900 0.111 0.000 1.177 445 Y CA 0.288 58.435 58.100 0.077 0.000 1.265 445 Y CB 0.271 38.782 38.460 0.085 0.000 1.103 445 Y HN 0.139 nan 8.280 nan 0.000 0.522 446 S N -0.884 114.946 115.700 0.216 0.000 3.171 446 S HA 0.134 4.603 4.470 -0.001 0.000 0.258 446 S C 0.701 175.360 174.600 0.099 0.000 1.083 446 S CA -0.394 57.945 58.200 0.232 0.000 0.801 446 S CB 0.134 63.610 63.200 0.460 0.000 0.831 446 S HN 0.231 nan 8.310 nan 0.000 0.462 447 R N 2.140 122.700 120.500 0.101 0.000 3.322 447 R HA -0.005 4.334 4.340 -0.001 0.000 0.253 447 R C 0.528 176.881 176.300 0.088 0.000 0.987 447 R CA 0.504 56.623 56.100 0.032 0.000 0.666 447 R CB -2.204 28.044 30.300 -0.086 0.000 1.072 447 R HN 1.115 nan 8.270 nan 0.000 0.447 448 G N -2.516 106.459 108.800 0.292 0.000 2.340 448 G HA2 0.353 4.313 3.960 -0.001 0.000 0.282 448 G HA3 0.353 4.313 3.960 -0.001 0.000 0.282 448 G C -0.147 175.021 174.900 0.447 0.000 1.312 448 G CA -0.234 45.154 45.100 0.481 0.000 0.942 448 G HN 0.314 nan 8.290 nan 0.000 0.495 449 A N -1.451 121.464 122.820 0.158 0.000 2.010 449 A HA 0.812 5.132 4.320 -0.001 0.000 0.210 449 A C 0.407 177.772 177.584 -0.365 0.000 1.479 449 A CA 2.156 54.052 52.037 -0.235 0.000 0.748 449 A CB 0.035 18.723 19.000 -0.520 0.000 1.125 449 A HN 2.239 nan 8.150 nan 0.000 0.522 450 Y N -2.428 117.287 120.300 -0.975 0.000 2.774 450 Y HA 0.503 5.052 4.550 -0.001 0.000 0.346 450 Y C -0.154 174.917 175.900 -1.382 0.000 1.222 450 Y CA -1.349 56.058 58.100 -1.155 0.000 1.088 450 Y CB -0.011 38.166 38.460 -0.471 0.000 1.354 450 Y HN 0.225 nan 8.280 nan 0.000 0.455 451 S N 0.957 116.339 115.700 -0.530 0.000 2.563 451 S HA 0.625 5.095 4.470 -0.001 0.000 0.294 451 S C -0.060 174.498 174.600 -0.071 0.000 1.279 451 S CA 0.314 58.389 58.200 -0.210 0.000 1.069 451 S CB 0.292 63.497 63.200 0.007 0.000 0.828 451 S HN 1.664 nan 8.310 nan 0.000 0.497 452 A N 2.025 124.803 122.820 -0.070 0.000 2.572 452 A HA 0.642 4.961 4.320 -0.001 0.000 0.295 452 A C -0.636 176.942 177.584 -0.009 0.000 1.072 452 A CA -0.900 51.155 52.037 0.031 0.000 0.691 452 A CB 1.066 20.103 19.000 0.062 0.000 1.291 452 A HN 0.972 nan 8.150 nan 0.000 0.404 453 C N 1.180 120.514 119.300 0.057 0.000 2.319 453 C HA 0.638 5.098 4.460 -0.001 0.000 0.335 453 C C 0.119 175.271 174.990 0.270 0.000 1.274 453 C CA -0.361 58.693 59.018 0.061 0.000 1.806 453 C CB -1.036 26.720 27.740 0.028 0.000 2.329 453 C HN 0.636 nan 8.230 nan 0.000 0.524 454 F N 3.536 123.544 119.950 0.096 0.000 2.408 454 F HA 0.398 4.924 4.527 -0.001 0.000 0.325 454 F C -1.283 174.551 175.800 0.057 0.000 1.082 454 F CA -2.155 55.894 58.000 0.082 0.000 1.032 454 F CB 1.124 40.196 39.000 0.120 0.000 1.259 454 F HN 0.372 nan 8.300 nan 0.000 0.503 461 D N 0.565 120.902 120.400 -0.105 0.000 2.123 461 D HA -0.154 4.486 4.640 -0.001 0.000 0.196 461 D C 2.011 178.216 176.300 -0.158 0.000 0.992 461 D CA 1.534 55.464 54.000 -0.117 0.000 0.833 461 D CB -0.079 40.653 40.800 -0.113 0.000 0.954 461 D HN 0.236 nan 8.370 nan 0.000 0.455 462 M N 0.246 119.732 119.600 -0.190 0.000 2.086 462 M HA -0.098 4.382 4.480 -0.001 0.000 0.261 462 M C 2.165 178.340 176.300 -0.208 0.000 1.067 462 M CA 0.772 55.922 55.300 -0.249 0.000 1.116 462 M CB -0.506 31.941 32.600 -0.255 0.000 1.348 462 M HN -0.079 nan 8.290 nan 0.000 0.407 463 V N -0.506 119.315 119.914 -0.155 0.000 2.332 463 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 463 V C 2.508 178.531 176.094 -0.118 0.000 1.055 463 V CA 1.426 63.646 62.300 -0.134 0.000 1.038 463 V CB -0.758 31.003 31.823 -0.103 0.000 0.651 463 V HN 0.219 nan 8.190 nan 0.000 0.450 464 V N 0.237 120.087 119.914 -0.107 0.000 2.237 464 V HA -0.261 3.859 4.120 -0.001 0.000 0.245 464 V C 2.720 178.758 176.094 -0.092 0.000 1.046 464 V CA 2.168 64.417 62.300 -0.084 0.000 1.007 464 V CB -1.178 30.600 31.823 -0.074 0.000 0.638 464 V HN 0.560 nan 8.190 nan 0.000 0.445 465 A N -0.860 121.882 122.820 -0.129 0.000 1.978 465 A HA -0.217 4.102 4.320 -0.001 0.000 0.220 465 A C 2.224 179.703 177.584 -0.174 0.000 1.170 465 A CA 1.992 53.940 52.037 -0.147 0.000 0.636 465 A CB -0.419 18.460 19.000 -0.202 0.000 0.810 465 A HN 0.424 nan 8.150 nan 0.000 0.448 466 M N 0.242 119.713 119.600 -0.216 0.000 2.073 466 M HA -0.100 4.380 4.480 -0.001 0.000 0.259 466 M C 2.540 178.840 176.300 -0.001 0.000 1.079 466 M CA 2.043 57.209 55.300 -0.223 0.000 1.131 466 M CB -1.566 30.876 32.600 -0.263 0.000 1.316 466 M HN 0.623 nan 8.290 nan 0.000 0.415 467 S N 0.100 115.781 115.700 -0.031 0.000 2.500 467 S HA -0.107 4.363 4.470 -0.001 0.000 0.239 467 S C 1.275 175.893 174.600 0.031 0.000 0.989 467 S CA 1.270 59.473 58.200 0.005 0.000 0.951 467 S CB -0.579 62.604 63.200 -0.028 0.000 0.759 467 S HN 0.396 nan 8.310 nan 0.000 0.523 468 N N 1.512 120.231 118.700 0.032 0.000 2.280 468 N HA 0.326 5.065 4.740 -0.001 0.000 0.192 468 N C 0.909 176.474 175.510 0.092 0.000 1.109 468 N CA 0.745 53.819 53.050 0.040 0.000 0.855 468 N CB 0.309 38.803 38.487 0.011 0.000 0.974 468 N HN 0.650 nan 8.380 nan 0.000 0.482 469 G N 0.971 109.883 108.800 0.187 0.000 2.953 469 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.421 469 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.421 469 G C 0.512 175.588 174.900 0.293 0.000 1.531 469 G CA 0.336 45.624 45.100 0.314 0.000 0.971 469 G HN 0.304 nan 8.290 nan 0.000 0.558 470 Q N 0.122 120.137 119.800 0.359 0.000 2.172 470 Q HA 0.204 4.544 4.340 -0.001 0.000 0.200 470 Q C 1.003 177.073 176.000 0.117 0.000 0.964 470 Q CA 2.736 58.683 55.803 0.241 0.000 0.855 470 Q CB 0.058 28.924 28.738 0.213 0.000 0.918 470 Q HN 1.176 nan 8.270 nan 0.000 0.444 471 D N -4.391 116.063 120.400 0.090 0.000 2.804 471 D HA 0.013 4.653 4.640 -0.001 0.000 0.309 471 D C 0.275 176.610 176.300 0.060 0.000 1.311 471 D CA 0.222 54.258 54.000 0.059 0.000 0.765 471 D CB -0.353 40.471 40.800 0.039 0.000 1.293 471 D HN -0.057 nan 8.370 nan 0.000 0.434 472 S N -0.599 115.134 115.700 0.055 0.000 2.413 472 S HA -0.304 4.166 4.470 -0.001 0.000 0.237 472 S C 1.414 176.105 174.600 0.153 0.000 1.044 472 S CA 1.160 59.417 58.200 0.095 0.000 1.024 472 S CB -0.445 62.792 63.200 0.062 0.000 0.829 472 S HN 0.518 nan 8.310 nan 0.000 0.475 473 R N 0.384 120.890 120.500 0.010 0.000 2.142 473 R HA 0.404 4.744 4.340 -0.001 0.000 0.204 473 R C 0.149 176.463 176.300 0.024 0.000 1.059 473 R CA 0.114 56.164 56.100 -0.084 0.000 1.055 473 R CB -0.847 29.288 30.300 -0.275 0.000 0.976 473 R HN 0.419 nan 8.270 nan 0.000 0.483 474 I N 3.309 123.870 120.570 -0.015 0.000 2.308 474 I HA 0.100 4.269 4.170 -0.001 0.000 0.293 474 I C 0.282 176.283 176.117 -0.194 0.000 1.078 474 I CA 0.167 61.417 61.300 -0.084 0.000 1.292 474 I CB 0.263 38.255 38.000 -0.012 0.000 1.423 474 I HN -0.206 nan 8.210 nan 0.000 0.493 475 R N 5.383 125.719 120.500 -0.274 0.000 2.902 475 R HA 0.695 5.034 4.340 -0.001 0.000 0.258 475 R C -1.110 174.859 176.300 -0.552 0.000 1.071 475 R CA -0.914 55.023 56.100 -0.270 0.000 1.024 475 R CB 1.423 31.682 30.300 -0.069 0.000 1.184 475 R HN 0.227 nan 8.270 nan 0.000 0.492 476 F N -0.564 119.396 119.950 0.017 0.000 2.565 476 F HA 0.719 5.245 4.527 -0.001 0.000 0.313 476 F C 0.068 175.835 175.800 -0.056 0.000 1.091 476 F CA -0.774 57.229 58.000 0.005 0.000 0.915 476 F CB 2.294 41.291 39.000 -0.005 0.000 1.208 476 F HN 0.605 nan 8.300 nan 0.000 0.453 477 A N 1.280 124.178 122.820 0.131 0.000 2.569 477 A HA 1.005 5.325 4.320 -0.001 0.000 0.290 477 A C -0.357 177.226 177.584 -0.002 0.000 1.136 477 A CA -0.389 51.656 52.037 0.013 0.000 0.710 477 A CB 1.733 20.735 19.000 0.002 0.000 1.303 477 A HN 1.722 nan 8.150 nan 0.000 0.413 478 G N -0.395 108.383 108.800 -0.037 0.000 2.362 478 G HA2 0.418 4.377 3.960 -0.001 0.000 0.656 478 G HA3 0.418 4.377 3.960 -0.001 0.000 0.656 478 G C -0.020 174.871 174.900 -0.015 0.000 1.376 478 G CA 0.568 45.701 45.100 0.054 0.000 0.971 478 G HN 1.746 nan 8.290 nan 0.000 0.636 479 E N -0.317 119.947 120.200 0.108 0.000 2.273 479 E HA -0.228 4.121 4.350 -0.001 0.000 0.198 479 E C 1.626 178.243 176.600 0.028 0.000 1.002 479 E CA 2.419 58.835 56.400 0.027 0.000 0.828 479 E CB -0.351 29.347 29.700 -0.004 0.000 0.747 479 E HN 0.887 nan 8.360 nan 0.000 0.491 480 H N -0.160 118.913 119.070 0.004 0.000 2.539 480 H HA 0.188 4.743 4.556 -0.001 0.000 0.269 480 H C 0.765 176.063 175.328 -0.051 0.000 0.980 480 H CA 1.143 57.183 56.048 -0.013 0.000 1.152 480 H CB -0.265 29.527 29.762 0.050 0.000 1.407 480 H HN 0.306 nan 8.280 nan 0.000 0.564 481 T N -1.611 112.672 114.554 -0.452 0.000 3.176 481 T HA 0.399 4.748 4.350 -0.001 0.000 0.263 481 T C 0.335 174.933 174.700 -0.171 0.000 1.021 481 T CA -0.411 61.485 62.100 -0.340 0.000 0.905 481 T CB -0.379 68.279 68.868 -0.350 0.000 1.057 481 T HN 0.327 nan 8.240 nan 0.000 0.558 482 I N 0.101 120.591 120.570 -0.133 0.000 2.918 482 I HA 0.372 4.541 4.170 -0.001 0.000 0.301 482 I C 0.254 176.321 176.117 -0.083 0.000 1.312 482 I CA -1.287 59.961 61.300 -0.087 0.000 1.007 482 I CB 2.149 40.112 38.000 -0.062 0.000 1.281 482 I HN -0.126 nan 8.210 nan 0.000 0.440 483 M N 1.915 121.481 119.600 -0.057 0.000 2.155 483 M HA 0.074 4.553 4.480 -0.001 0.000 0.258 483 M C -0.013 176.261 176.300 -0.043 0.000 1.092 483 M CA 1.179 56.448 55.300 -0.052 0.000 1.153 483 M CB -0.625 31.955 32.600 -0.033 0.000 1.316 483 M HN 0.455 nan 8.290 nan 0.000 0.431 484 D N 0.951 121.354 120.400 0.004 0.000 2.401 484 D HA 0.277 4.917 4.640 -0.001 0.000 0.254 484 D C 1.023 177.306 176.300 -0.028 0.000 1.192 484 D CA 0.860 54.891 54.000 0.053 0.000 0.885 484 D CB 0.351 41.236 40.800 0.141 0.000 1.147 484 D HN 0.655 nan 8.370 nan 0.000 0.478 485 G N 1.946 110.667 108.800 -0.131 0.000 2.137 485 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.237 485 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.237 485 G C 0.549 175.168 174.900 -0.470 0.000 1.002 485 G CA 0.055 44.782 45.100 -0.621 0.000 0.702 485 G HN 0.844 nan 8.290 nan 0.000 0.515 486 A N -0.417 122.237 122.820 -0.275 0.000 2.565 486 A HA 0.588 4.908 4.320 -0.001 0.000 0.237 486 A C 2.184 179.590 177.584 -0.296 0.000 1.053 486 A CA 2.028 53.926 52.037 -0.231 0.000 0.755 486 A CB -0.149 18.748 19.000 -0.172 0.000 0.980 486 A HN 2.420 nan 8.150 nan 0.000 0.506 487 G N 0.600 109.250 108.800 -0.250 0.000 2.189 487 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.267 487 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.267 487 G C 0.446 175.085 174.900 -0.436 0.000 0.975 487 G CA 0.544 45.441 45.100 -0.338 0.000 0.644 487 G HN 1.140 nan 8.290 nan 0.000 0.537 488 C N -0.059 119.017 119.300 -0.374 0.000 2.358 488 C HA 0.774 5.233 4.460 -0.001 0.000 0.354 488 C C 2.311 177.158 174.990 -0.239 0.000 1.183 488 C CA 0.219 59.049 59.018 -0.313 0.000 2.150 488 C CB 1.163 28.670 27.740 -0.389 0.000 2.361 488 C HN 0.836 nan 8.230 nan 0.000 0.535 489 A N 1.063 123.796 122.820 -0.146 0.000 1.908 489 A HA -0.184 4.136 4.320 -0.001 0.000 0.218 489 A C 1.777 179.404 177.584 0.072 0.000 1.181 489 A CA 2.165 54.147 52.037 -0.092 0.000 0.627 489 A CB -0.848 18.029 19.000 -0.205 0.000 0.818 489 A HN 1.078 nan 8.150 nan 0.000 0.445 490 Y N -0.649 119.684 120.300 0.055 0.000 2.439 490 Y HA 0.244 4.793 4.550 -0.001 0.000 0.292 490 Y C 2.001 178.028 175.900 0.211 0.000 1.130 490 Y CA 0.455 58.606 58.100 0.086 0.000 1.254 490 Y CB -1.002 37.455 38.460 -0.005 0.000 1.000 490 Y HN 0.073 nan 8.280 nan 0.000 0.554 491 G N 0.765 109.336 108.800 -0.381 0.000 2.395 491 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.214 491 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.214 491 G C 1.850 176.755 174.900 0.008 0.000 1.177 491 G CA 0.942 45.887 45.100 -0.258 0.000 0.794 491 G HN 0.604 nan 8.290 nan 0.000 0.532 492 A N 0.322 123.147 122.820 0.008 0.000 1.892 492 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 492 A C 2.166 179.846 177.584 0.159 0.000 1.188 492 A CA 1.795 53.871 52.037 0.065 0.000 0.631 492 A CB -1.010 18.028 19.000 0.064 0.000 0.822 492 A HN 0.612 nan 8.150 nan 0.000 0.447 493 W N 0.810 122.128 121.300 0.030 0.000 2.318 493 W HA -0.284 4.376 4.660 -0.001 0.000 0.313 493 W C 2.037 178.599 176.519 0.072 0.000 1.221 493 W CA 2.464 59.855 57.345 0.075 0.000 1.266 493 W CB -0.135 29.404 29.460 0.133 0.000 1.150 493 W HN 0.424 nan 8.180 nan 0.000 0.496 494 E N 0.523 120.996 120.200 0.456 0.000 2.051 494 E HA -0.240 4.110 4.350 -0.001 0.000 0.192 494 E C 2.389 178.965 176.600 -0.040 0.000 0.991 494 E CA 2.463 58.971 56.400 0.180 0.000 0.799 494 E CB -0.733 29.186 29.700 0.364 0.000 0.748 494 E HN 0.291 nan 8.360 nan 0.000 0.449 495 S N -0.914 114.788 115.700 0.004 0.000 2.419 495 S HA -0.106 4.364 4.470 -0.001 0.000 0.235 495 S C 2.124 176.674 174.600 -0.083 0.000 1.019 495 S CA 1.137 59.312 58.200 -0.041 0.000 0.982 495 S CB -0.836 62.339 63.200 -0.042 0.000 0.789 495 S HN 0.357 nan 8.310 nan 0.000 0.490 496 G N 1.843 110.569 108.800 -0.124 0.000 2.404 496 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.214 496 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.214 496 G C 1.516 176.285 174.900 -0.219 0.000 1.189 496 G CA 0.508 45.512 45.100 -0.161 0.000 0.789 496 G HN 0.551 nan 8.290 nan 0.000 0.533 497 R N 0.397 120.685 120.500 -0.354 0.000 2.159 497 R HA -0.019 4.321 4.340 -0.001 0.000 0.237 497 R C 2.500 178.684 176.300 -0.193 0.000 1.131 497 R CA 1.330 57.230 56.100 -0.333 0.000 0.982 497 R CB -0.244 29.745 30.300 -0.518 0.000 0.868 497 R HN 0.370 nan 8.270 nan 0.000 0.453 498 R N 0.406 120.817 120.500 -0.149 0.000 2.075 498 R HA -0.134 4.206 4.340 -0.001 0.000 0.230 498 R C 1.736 177.980 176.300 -0.094 0.000 1.140 498 R CA 1.759 57.804 56.100 -0.093 0.000 0.928 498 R CB -0.140 30.124 30.300 -0.061 0.000 0.834 498 R HN 0.180 nan 8.270 nan 0.000 0.429 499 E N 0.542 120.686 120.200 -0.093 0.000 2.085 499 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 499 E C 1.902 178.424 176.600 -0.129 0.000 0.994 499 E CA 1.355 57.697 56.400 -0.098 0.000 0.801 499 E CB -0.400 29.251 29.700 -0.081 0.000 0.743 499 E HN 0.505 nan 8.360 nan 0.000 0.453 500 A N 0.904 123.647 122.820 -0.128 0.000 1.883 500 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 500 A C 2.489 179.998 177.584 -0.125 0.000 1.186 500 A CA 2.246 54.207 52.037 -0.127 0.000 0.624 500 A CB -1.002 17.929 19.000 -0.115 0.000 0.822 500 A HN 0.269 nan 8.150 nan 0.000 0.444 501 T N -0.678 113.808 114.554 -0.113 0.000 2.684 501 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 501 T C 2.048 176.683 174.700 -0.107 0.000 1.036 501 T CA 1.600 63.643 62.100 -0.096 0.000 1.148 501 T CB -0.285 68.535 68.868 -0.080 0.000 0.863 501 T HN 0.611 nan 8.240 nan 0.000 0.436 502 R N 0.833 121.263 120.500 -0.117 0.000 2.103 502 R HA -0.115 4.225 4.340 -0.001 0.000 0.234 502 R C 2.419 178.599 176.300 -0.199 0.000 1.132 502 R CA 1.891 57.913 56.100 -0.129 0.000 0.925 502 R CB -0.621 29.608 30.300 -0.119 0.000 0.842 502 R HN 0.390 nan 8.270 nan 0.000 0.430 503 I N 0.885 121.275 120.570 -0.301 0.000 2.118 503 I HA -0.335 3.834 4.170 -0.001 0.000 0.241 503 I C 2.483 178.422 176.117 -0.296 0.000 1.070 503 I CA 1.681 62.683 61.300 -0.497 0.000 1.327 503 I CB -0.512 37.144 38.000 -0.573 0.000 1.034 503 I HN 0.261 nan 8.210 nan 0.000 0.405 504 S N 0.769 116.358 115.700 -0.185 0.000 2.380 504 S HA -0.273 4.196 4.470 -0.001 0.000 0.229 504 S C 1.638 176.185 174.600 -0.089 0.000 1.050 504 S CA 2.039 60.175 58.200 -0.107 0.000 1.100 504 S CB -0.558 62.597 63.200 -0.075 0.000 0.984 504 S HN 0.461 nan 8.310 nan 0.000 0.434 505 D N 1.434 121.781 120.400 -0.088 0.000 2.103 505 D HA -0.099 4.541 4.640 -0.001 0.000 0.190 505 D C 2.002 178.267 176.300 -0.057 0.000 0.997 505 D CA 0.948 54.911 54.000 -0.062 0.000 0.833 505 D CB -0.687 40.079 40.800 -0.057 0.000 0.961 505 D HN 0.281 nan 8.370 nan 0.000 0.447 506 L N 0.274 121.445 121.223 -0.087 0.000 2.013 506 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 506 L C 2.632 179.496 176.870 -0.010 0.000 1.073 506 L CA 0.937 55.748 54.840 -0.048 0.000 0.753 506 L CB -0.474 41.531 42.059 -0.091 0.000 0.890 506 L HN 0.101 nan 8.230 nan 0.000 0.432 507 L N -0.335 120.864 121.223 -0.040 0.000 2.141 507 L HA -0.205 4.135 4.340 -0.001 0.000 0.209 507 L C 2.655 179.526 176.870 0.003 0.000 1.094 507 L CA 0.917 55.760 54.840 0.005 0.000 0.763 507 L CB -0.506 41.546 42.059 -0.012 0.000 0.908 507 L HN 0.240 nan 8.230 nan 0.000 0.437 508 K N 0.878 121.270 120.400 -0.013 0.000 2.097 508 K HA -0.078 4.241 4.320 -0.001 0.000 0.206 508 K C 0.888 177.488 176.600 0.000 0.000 1.049 508 K CA 1.194 57.476 56.287 -0.007 0.000 0.933 508 K CB -0.291 32.200 32.500 -0.015 0.000 0.717 508 K HN 0.137 nan 8.250 nan 0.000 0.442 509 L N 0.000 121.224 121.223 0.002 0.000 2.949 509 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 509 L CA 0.000 54.845 54.840 0.008 0.000 0.813 509 L CB 0.000 42.063 42.059 0.007 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502